| 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 | 28.8 | Very low | 34.8 | Very low | 235 Ų | 235 | 120.3 Ų | 120.3 | 100% | 1.158 | 74% | 0.735 | S | S | * | * | 0 | 163.3 | 0 | -79.7 | 179.2 | 171.8 | 0 | 0 | 108.6 | |||||
| 2 | T | 33.2 | Very low | 37.4 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 87% | 0.871 | 73% | 0.726 | S | S | * | * | trans | 60.9 | 86.8 | 177.9 | -28.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | T | 29.3 | Very low | 40.5 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -68.8 | 142 | 173.5 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 4 | C | 28.5 | Very low | 43.3 | Very low | 132 Ų | 132 | 113 Ų | 113 | 89% | 0.892 | 67% | 0.673 | S | S | * | * | trans | -153.8 | 149.7 | 132.3 | -102.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | V | 29.1 | Very low | 46 | Very low | 136 Ų | 136 | 109.4 Ų | 109.4 | 82% | 0.824 | 65% | 0.649 | S | S | * | * | trans | -86.2 | 133.3 | -175.3 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | C | 29.3 | Very low | 48.4 | Very low | 120 Ų | 120 | 110.4 Ų | 110.4 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | trans | -135.6 | 100.7 | 162.2 | -84.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 7 | I | 31.3 | Very low | 50.9 | Low | 143 Ų | 143 | 104.4 Ų | 104.4 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | trans | 31.6 | 119.7 | 130.6 | -55 | 165.4 | 0 | 0 | 0 | 116.6 | ||||
| 8 | P | 33.2 | Very low | 52.9 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 86% | 0.857 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -74.3 | 130.1 | 179 | 30.7 | -34.4 | 0 | 0 | 0 | 113 | ||
| 9 | G | 38.7 | Very low | 54.9 | Low | 60 Ų | 60 | 103.4 Ų | 103.4 | 62% | 0.619 | 59% | 0.594 | S | S | * | * | trans | 119.7 | 85.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 10 | L | 45.6 | Very low | 56.7 | Low | 79 Ų | 79 | 98.6 Ų | 98.6 | 41% | 0.414 | 57% | 0.566 | S | S | . | * | trans | -165.8 | 138.7 | 163.7 | -102.7 | 163.6 | 0 | 0 | 0 | 109.2 | V1064 | L10-V1064 HydrophobicContact CD1-CB 4.16Å; L10-V1064 HydrophobicContact CD1-CG2 3.33Å; L10-V1064 HydrophobicContact CD2-CG2 3.71Å; L10-V1064 HydrophobicContact CG-CG2 4.13Å | ||
| 11 | A | 55.8 | Low | 58.4 | Low | 12 Ų | 12 | 95.6 Ų | 95.6 | 10% | 0.099 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -83 | 141.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V82 V89 | A11-V82 HydrophobicContact CB-CG1 3.81Å; A11-V89 HydrophobicContact CB-CG1 3.66Å |
| 12 | Q | 65.5 | Low | 61.4 | Low | 134 Ų | 134 | 84.4 Ų | 84.4 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -100.6 | 154 | 179.4 | -56.2 | -163.8 | 13.6 | 0 | 0 | 113.6 | A34 E35 | Q12-A34 WeakPolarHBondContact O-CA 3.44Å; Q12-E35 WeakPolarHBondContact CB-OE2 3.39Å; Q12-E35 PolarHBondContact N-OE2 2.61Å; Q12-E35 PolarHBondContact O-N 3.39Å |
| 13 | F | 78.4 | Confident | 64.1 | Low | 30 Ų | 30 | 80.9 Ų | 80.9 | 13% | 0.132 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.5 | 166.2 | -68.9 | -80.8 | 0 | 0 | 0 | 109.4 | K16 C32 Q33 A34 C80 V82 A90 A92 | F13-K16 HydrophobicContact CB-CD 4.48Å; F13-K16 HydrophobicContact CB-CG 3.59Å; F13-K16 HydrophobicContact CD2-CG 4.39Å; F13-K16 HydrophobicContact CG-CG 4.04Å; F13-C32 VanDerWaalsContact CD1-SG 3.59Å; F13-C32 VanDerWaalsContact CE1-SG 3.53Å; F13-Q33 CarbonylContact C-O 3.56Å; F13-Q33 WeakPolarHBondContact CA-O 3.33Å; F13-A34 HydrophobicContact CD1-CB 4.02Å; F13-A34 HydrophobicContact CE1-CB 4.42Å; F13-C80 HydrophobicContact CE1-CB 4.14Å; F13-C80 VanDerWaalsContact CZ-O 3.31Å; F13-C80 WeakPolarHBondContact CZ-O 3.23Å; F13-V82 HydrophobicContact CD1-CG2 4.12Å; F13-V82 HydrophobicContact CE1-CG2 3.46Å; F13-V82 VanDerWaalsContact CE1-CG2 3.46Å; F13-V82 HydrophobicContact CE2-CG2 4.25Å; F13-V82 HydrophobicContact CZ-CG2 3.56Å; F13-A90 HydrophobicContact CD2-CB 4.46Å; F13-A90 HydrophobicContact CE2-CB 3.72Å; F13-A90 HydrophobicContact CZ-CB 4.28Å; F13-A90 WeakPolarHBondContact CZ-O 3.34Å; F13-A92 HydrophobicContact CD1-CB 4.39Å; F13-A92 HydrophobicContact CD2-CB 3.86Å; F13-A92 HydrophobicContact CE1-CB 4.14Å; F13-A92 HydrophobicContact CE2-CB 3.56Å; F13-A92 HydrophobicContact CG-CB 4.25Å; F13-A92 HydrophobicContact CZ-CB 3.7Å |
| 14 | V | 79.3 | Confident | 66.9 | Low | 95 Ų | 95 | 75.8 Ų | 75.8 | 58% | 0.576 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -35.8 | 172.1 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | Q33 E35 | V14-Q33 HydrophobicContact CB-CB 4.13Å; V14-Q33 HydrophobicContact CB-CG 4.01Å; V14-Q33 HydrophobicContact CG1-CG 4.4Å; V14-Q33 PolarHBondContact N-O 2.88Å; V14-E35 HydrophobicContact CG2-CG 4.44Å |
| 15 | L | 83.8 | Confident | 69.6 | Low | 59 Ų | 59 | 75.2 Ų | 75.2 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 127.2 | 170.8 | 179.3 | 65.7 | 0 | 0 | 0 | 107.7 | L31 C32 Q33 L61 | L15-L31 HydrophobicContact CD2-CB 3.72Å; L15-C32 CarbonylContact O-C 3.45Å; L15-C32 WeakPolarHBondContact O-CA 3.3Å; L15-Q33 HydrophobicContact CB-CB 3.71Å; L15-Q33 PolarHBondContact N-O 3.08Å; L15-Q33 PolarHBondContact O-N 3.05Å; L15-L61 HydrophobicContact CD2-CD1 4.18Å |
| 16 | K | 85.4 | Confident | 72.4 | Confident | 125 Ų | 125 | 70.2 Ų | 70.2 | 54% | 0.543 | 40% | 0.396 | S | S | . | . | trans | -94.5 | 151.5 | 173.3 | -68.2 | -178 | -179.8 | -178.5 | 0 | 109.7 | F13 L31 A92 | F13-K16 HydrophobicContact CB-CD 4.48Å; F13-K16 HydrophobicContact CB-CG 3.59Å; F13-K16 HydrophobicContact CD2-CG 4.39Å; F13-K16 HydrophobicContact CG-CG 4.04Å; K16-L31 CarbonylContact C-O 3.53Å; K16-A92 HydrophobicContact CB-CB 4.22Å; K16-A92 HydrophobicContact CD-CB 4.09Å; K16-A92 HydrophobicContact CG-CB 3.92Å | ||
| 17 | P | 89.8 | Confident | 75.3 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | trans | -59.2 | 147.5 | 161.1 | 29.6 | -35 | 0 | 0 | 0 | 109.3 | F30 L31 W40 C80 A92 A94 | P17-F30 HydrophobicContact CB-CB 4.31Å; P17-F30 HydrophobicContact CB-CD1 4.19Å; P17-L31 VanDerWaalsContact CA-O 3.26Å; P17-L31 WeakPolarHBondContact CA-O 3.47Å; P17-L31 VanDerWaalsContact N-O 3.16Å; P17-W40 HydrophobicContact CB-CH2 3.94Å; P17-W40 HydrophobicContact CB-CZ3 3.89Å; P17-W40 HydrophobicContact CG-CH2 4.45Å; P17-W40 HydrophobicContact CG-CZ3 4.24Å; P17-C80 HydrophobicContact CG-CB 3.98Å; P17-A92 HydrophobicContact CG-CB 4.32Å; P17-A92 VanDerWaalsContact CG-O 3.25Å; P17-A92 WeakPolarHBondContact CG-O 3.39Å; P17-A94 HydrophobicContact CB-CB 3.83Å; P17-A94 HydrophobicContact CG-CB 4.28Å | ||
| 18 | E | 87.8 | Confident | 78.2 | Confident | 103 Ų | 103 | 59 Ų | 59 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | trans | -123.8 | 157.4 | 177.9 | -64.1 | -179.8 | -125.1 | 0 | 0 | 110 | V20 A94 R182 | E18-V20 VanDerWaalsContact O-CG2 3.3Å; E18-V20 WeakPolarHBondContact O-CG2 3.39Å; E18-A94 VanDerWaalsContact C-CB 3.42Å; E18-A94 WeakPolarHBondContact O-CB 3.39Å; E18-R182 IonicContact OE1-NH1 2.71Å; E18-R182 PolarHBondContact OE1-NH1 3.08Å; E18-R182 IonicContact OE2-CZ 3.41Å; E18-R182 IonicContact OE2-NH1 3.34Å; E18-R182 PolarHBondContact OE2-NH1 3.16Å; E18-R182 IonicContact OE2-NH2 3.47Å; E18-R182 PolarHBondContact OE2-NH2 3.08Å | ||
| 19 | D | 90.4 | Very high | 80.9 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | trans | -57.9 | 138.5 | 177.2 | -75.5 | 17.7 | 0 | 0 | 0 | 111.6 | A94 K95 R182 | D19-A94 WeakPolarHBondContact OD1-CA 3.41Å; D19-K95 WeakPolarHBondContact CA-O 3.47Å; D19-K95 PolarHBondContact OD1-N 3.09Å; D19-R182 PolarHBondContact O-NH2 3.02Å | ||
| 20 | V | 90 | Very high | 83.4 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 117.4 | -176.8 | -165.3 | 0 | 0 | 0 | 0 | 109.5 | E18 V22 F30 K95 V97 V187 | E18-V20 VanDerWaalsContact O-CG2 3.3Å; E18-V20 WeakPolarHBondContact O-CG2 3.39Å; V20-V22 HydrophobicContact CG1-CG1 3.48Å; V20-V22 VanDerWaalsContact CG1-CG1 3.48Å; V20-F30 HydrophobicContact CB-CE1 4.16Å; V20-F30 HydrophobicContact CB-CZ 3.96Å; V20-F30 HydrophobicContact CG2-CD1 3.9Å; V20-F30 HydrophobicContact CG2-CE1 3.46Å; V20-F30 VanDerWaalsContact CG2-CE1 3.46Å; V20-F30 HydrophobicContact CG2-CE2 4.32Å; V20-F30 HydrophobicContact CG2-CG 4.5Å; V20-F30 HydrophobicContact CG2-CZ 3.67Å; V20-K95 PolarHBondContact N-O 3.27Å; V20-V97 PolarHBondContact O-N 2.99Å; V20-V187 HydrophobicContact CG1-CB 3.77Å; V20-V187 HydrophobicContact CG1-CG2 3.61Å |
| 21 | V | 92.8 | Very high | 85.4 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.2 | 167.9 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | V97 L99 F108 H185 G186 V187 | V21-V97 CarbonylContact C-O 3.53Å; V21-V97 WeakPolarHBondContact CA-O 3.32Å; V21-V97 HydrophobicContact CB-CB 4.41Å; V21-V97 HydrophobicContact CG1-CB 4.26Å; V21-V97 HydrophobicContact CG1-CG1 4.19Å; V21-V97 HydrophobicContact CG2-CB 4.13Å; V21-L99 HydrophobicContact CG1-CD1 3.58Å; V21-L99 HydrophobicContact CG1-CG 4.01Å; V21-F108 HydrophobicContact CG1-CE2 4.47Å; V21-H185 WeakPolarHBondContact CB-O 3.32Å; V21-G186 CarbonylContact O-C 3.51Å; V21-G186 WeakPolarHBondContact O-CA 3.29Å; V21-V187 PolarHBondContact O-N 3.27Å |
| 22 | V | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 164.5 | -177.8 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | V20 A28 V69 L96 V97 V98 L99 V187 | V20-V22 HydrophobicContact CG1-CG1 3.48Å; V20-V22 VanDerWaalsContact CG1-CG1 3.48Å; V22-A28 HydrophobicContact CG1-CB 4.01Å; V22-A28 HydrophobicContact CG2-CB 4.39Å; V22-V69 HydrophobicContact CG2-CB 4.3Å; V22-V69 HydrophobicContact CG2-CG1 3.78Å; V22-V69 HydrophobicContact CG2-CG2 4.12Å; V22-L96 HydrophobicContact CG2-CD1 3.79Å; V22-V97 PolarHBondContact N-O 2.83Å; V22-V98 HydrophobicContact CG2-CG1 4.41Å; V22-V98 HydrophobicContact CG2-CG2 4.1Å; V22-V98 WeakPolarHBondContact O-CA 3.42Å; V22-L99 PolarHBondContact O-N 3.43Å; V22-V187 HydrophobicContact CG1-CB 4.38Å |
| 23 | E | 90.4 | Very high | 87.9 | Confident | 67 Ų | 67 | 42.8 Ų | 42.8 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 147.6 | 172.3 | -164.7 | -173 | 165.9 | 0 | 0 | 111.8 | S26 L99 L104 | E23-S26 PolarHBondContact N-OG 3.22Å; E23-S26 VanDerWaalsContact O-CB 3.31Å; E23-S26 WeakPolarHBondContact O-CB 3.07Å; E23-S26 PolarHBondContact O-N 3.06Å; E23-S26 PolarHBondContact O-OG 2.67Å; E23-L99 CarbonylContact C-O 3.54Å; E23-L99 WeakPolarHBondContact CA-O 3.39Å; E23-L104 HydrophobicContact CB-CD1 4.45Å; E23-L104 HydrophobicContact CB-CD2 4.37Å; E23-L104 HydrophobicContact CG-CD1 4.19Å |
| 24 | V | 87.6 | Confident | 87.9 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 142.3 | 167.8 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | S26 E71 V98 L99 Q100 | V24-S26 PolarHBondContact O-N 2.91Å; V24-S26 VanDerWaalsContact O-N 3.15Å; V24-E71 HydrophobicContact CG2-CB 4.16Å; V24-E71 HydrophobicContact CG2-CG 4.48Å; V24-V98 HydrophobicContact CB-CG1 4.26Å; V24-V98 HydrophobicContact CG2-CG1 3.6Å; V24-L99 PolarHBondContact N-O 3.28Å; V24-Q100 HydrophobicContact CG2-CG 4.27Å |
| 25 | N | 85.3 | Confident | 87.6 | Confident | 119 Ų | 119 | 40.7 Ų | 40.7 | 64% | 0.636 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -3.3 | -176.3 | -57.1 | -38.3 | 0 | 0 | 0 | 116.4 | V69 | N25-V69 WeakPolarHBondContact CA-O 3.29Å; N25-V69 PolarHBondContact N-O 2.88Å |
| 26 | S | 88.2 | Confident | 87.1 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 22% | 0.217 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -78.2 | -155 | 175.7 | 77.7 | 0 | 0 | 0 | 0 | 112.8 | E23 V24 P68 V69 | E23-S26 PolarHBondContact N-OG 3.22Å; E23-S26 VanDerWaalsContact O-CB 3.31Å; E23-S26 WeakPolarHBondContact O-CB 3.07Å; E23-S26 PolarHBondContact O-N 3.06Å; E23-S26 PolarHBondContact O-OG 2.67Å; V24-S26 PolarHBondContact O-N 2.91Å; V24-S26 VanDerWaalsContact O-N 3.15Å; S26-P68 WeakPolarHBondContact O-CA 3.5Å; S26-V69 PolarHBondContact O-N 2.82Å |
| 27 | K | 90 | Very high | 86.5 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | trans | -119.9 | 141 | -178.6 | -64.8 | 158.4 | 163.2 | -163.9 | 0 | 108.4 | R65 E67 E178 H189 S190 S192 | K27-R65 VanDerWaalsContact CD-NH2 3.34Å; K27-R65 VanDerWaalsContact NZ-NH2 3.16Å; K27-E67 WeakPolarHBondContact CE-OE1 3.33Å; K27-E67 HydrophobicContact CG-CG 4.01Å; K27-E67 IonicContact NZ-OE1 3.61Å; K27-E178 IonicContact NZ-OE2 3.19Å; K27-E178 PolarHBondContact NZ-OE2 3.39Å; K27-H189 HydrophobicContact CB-CB 3.93Å; K27-H189 HydrophobicContact CD-CB 3.47Å; K27-H189 VanDerWaalsContact CD-CB 3.47Å; K27-H189 HydrophobicContact CG-CB 4.33Å; K27-H189 PolarHBondContact O-CD2 3.39Å; K27-H189 VanDerWaalsContact O-CD2 3.3Å; K27-S190 PolarHBondContact NZ-O 3.05Å; K27-S192 PolarHBondContact NZ-OG 2.97Å | ||
| 28 | A | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V22 F30 R65 V66 V69 L96 | V22-A28 HydrophobicContact CG1-CB 4.01Å; V22-A28 HydrophobicContact CG2-CB 4.39Å; A28-F30 HydrophobicContact CB-CE2 4.09Å; A28-R65 CarbonylContact O-C 3.59Å; A28-R65 WeakPolarHBondContact O-CA 3.31Å; A28-V66 HydrophobicContact CB-CB 4.33Å; A28-V66 HydrophobicContact CB-CG2 4.47Å; A28-V66 PolarHBondContact N-O 2.75Å; A28-V66 PolarHBondContact O-N 2.93Å; A28-V69 HydrophobicContact CB-CG2 3.69Å; A28-L96 HydrophobicContact CB-CD1 3.63Å |
| 29 | T | 90.4 | Very high | 85.9 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.7 | -179.6 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | L31 R65 L143 H189 | T29-L31 HydrophobicContact CG2-CD2 4.23Å; T29-R65 HydrophobicContact CG2-CB 4.44Å; T29-R65 PolarHBondContact OG1-NH1 3.24Å; T29-L143 HydrophobicContact CG2-CD1 4.2Å; T29-H189 PolarHBondContact OG1-CE1 2.72Å; T29-H189 PolarHBondContact OG1-NE2 3.43Å |
| 30 | F | 91.2 | Very high | 85.8 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 134.3 | 173.3 | -62.6 | -96 | 0 | 0 | 0 | 108.5 | P17 V20 A28 W40 G63 L64 V66 I78 A94 L96 | P17-F30 HydrophobicContact CB-CB 4.31Å; P17-F30 HydrophobicContact CB-CD1 4.19Å; V20-F30 HydrophobicContact CB-CE1 4.16Å; V20-F30 HydrophobicContact CB-CZ 3.96Å; V20-F30 HydrophobicContact CG2-CD1 3.9Å; V20-F30 HydrophobicContact CG2-CE1 3.46Å; V20-F30 VanDerWaalsContact CG2-CE1 3.46Å; V20-F30 HydrophobicContact CG2-CE2 4.32Å; V20-F30 HydrophobicContact CG2-CG 4.5Å; V20-F30 HydrophobicContact CG2-CZ 3.67Å; A28-F30 HydrophobicContact CB-CE2 4.09Å; F30-W40 HydrophobicContact CB-CH2 3.48Å; F30-W40 VanDerWaalsContact CB-CH2 3.48Å; F30-W40 HydrophobicContact CB-CZ3 3.54Å; F30-W40 HydrophobicContact CG-CZ3 4.43Å; F30-G63 WeakPolarHBondContact O-CA 3.48Å; F30-L64 HydrophobicContact CB-CB 4.44Å; F30-L64 PolarHBondContact N-O 2.82Å; F30-L64 PolarHBondContact O-N 3.39Å; F30-V66 HydrophobicContact CE2-CG2 4.46Å; F30-I78 HydrophobicContact CB-CG2 4.37Å; F30-I78 HydrophobicContact CD1-CB 4.27Å; F30-I78 HydrophobicContact CD1-CG2 4.06Å; F30-I78 HydrophobicContact CD2-CG1 4.42Å; F30-I78 HydrophobicContact CD2-CG2 4.04Å; F30-I78 HydrophobicContact CE1-CB 4.13Å; F30-I78 HydrophobicContact CE1-CG1 4.23Å; F30-I78 HydrophobicContact CE1-CG2 4.38Å; F30-I78 HydrophobicContact CE2-CB 4.47Å; F30-I78 HydrophobicContact CE2-CG1 3.94Å; F30-I78 HydrophobicContact CE2-CG2 4.4Å; F30-I78 HydrophobicContact CG-CG2 3.89Å; F30-I78 HydrophobicContact CZ-CB 4.26Å; F30-I78 HydrophobicContact CZ-CG1 3.85Å; F30-A94 HydrophobicContact CD1-CB 3.95Å; F30-A94 HydrophobicContact CE1-CB 3.85Å; F30-L96 HydrophobicContact CE2-CB 4.36Å; F30-L96 HydrophobicContact CE2-CD1 4.24Å; F30-L96 HydrophobicContact CE2-CD2 4.47Å; F30-L96 HydrophobicContact CZ-CB 3.82Å; F30-L96 HydrophobicContact CZ-CD1 4.07Å; F30-L96 HydrophobicContact CZ-CG 4.4Å |
| 31 | L | 89.1 | Confident | 85.7 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.131 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.7 | -179.9 | -62.2 | 171.9 | 0 | 0 | 0 | 109 | L15 K16 P17 T29 L141 P148 | L15-L31 HydrophobicContact CD2-CB 3.72Å; K16-L31 CarbonylContact C-O 3.53Å; P17-L31 VanDerWaalsContact CA-O 3.26Å; P17-L31 WeakPolarHBondContact CA-O 3.47Å; P17-L31 VanDerWaalsContact N-O 3.16Å; T29-L31 HydrophobicContact CG2-CD2 4.23Å; L31-L141 HydrophobicContact CD1-CD2 3.67Å; L31-P148 HydrophobicContact CD1-CG 3.62Å; L31-P148 HydrophobicContact CD2-CG 3.8Å; L31-P148 HydrophobicContact CG-CG 4.34Å |
| 32 | C | 87.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 135 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | F13 L15 W40 L61 S62 C80 | F13-C32 VanDerWaalsContact CD1-SG 3.59Å; F13-C32 VanDerWaalsContact CE1-SG 3.53Å; L15-C32 CarbonylContact O-C 3.45Å; L15-C32 WeakPolarHBondContact O-CA 3.3Å; C32-W40 HydrophobicContact CB-CH2 3.56Å; C32-W40 HydrophobicContact CB-CZ2 3.23Å; C32-L61 CarbonylContact O-C 3.5Å; C32-L61 WeakPolarHBondContact O-CA 3.05Å; C32-S62 PolarHBondContact N-O 2.87Å; C32-S62 PolarHBondContact O-N 3.16Å; C32-S62 PolarHBondContact O-OG 2.95Å; C32-C80 HydrophobicContact CB-CB 3.58Å; C32-C80 WeakPolarHBondContact CB-SG 3.27Å; C32-C80 WeakPolarHBondContact SG-CB 3.18Å; C32-C80 CovalentContact SG-SG 2.03Å; C32-C80 PolarHBondContact SG-SG 3.14Å |
| 33 | Q | 85.2 | Confident | 85.2 | Confident | 41 Ų | 41 | 36.3 Ų | 36.3 | 19% | 0.192 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.4 | 172.9 | -169.4 | -178.2 | -2.2 | 0 | 0 | 107.8 | F13 V14 L15 N59 L61 | F13-Q33 CarbonylContact C-O 3.56Å; F13-Q33 WeakPolarHBondContact CA-O 3.33Å; V14-Q33 HydrophobicContact CB-CB 4.13Å; V14-Q33 HydrophobicContact CB-CG 4.01Å; V14-Q33 HydrophobicContact CG1-CG 4.4Å; V14-Q33 PolarHBondContact N-O 2.88Å; L15-Q33 HydrophobicContact CB-CB 3.71Å; L15-Q33 PolarHBondContact N-O 3.08Å; L15-Q33 PolarHBondContact O-N 3.05Å; Q33-N59 VanDerWaalsContact CG-O 3.23Å; Q33-N59 WeakPolarHBondContact CG-O 3.49Å; Q33-N59 PolarHBondContact NE2-O 3.22Å; Q33-L61 HydrophobicContact CB-CB 4.47Å; Q33-L61 HydrophobicContact CB-CD1 4.09Å; Q33-L61 HydrophobicContact CG-CB 4.22Å |
| 34 | A | 78.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 177 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q12 F13 Q36 T38 W60 V82 | Q12-A34 WeakPolarHBondContact O-CA 3.44Å; F13-A34 HydrophobicContact CD1-CB 4.02Å; F13-A34 HydrophobicContact CE1-CB 4.42Å; A34-Q36 PolarHBondContact O-N 2.98Å; A34-T38 HydrophobicContact CB-CG2 3.83Å; A34-W60 WeakPolarHBondContact O-CB 3.4Å; A34-V82 HydrophobicContact CB-CG2 3.57Å |
| 35 | E | 73.7 | Confident | 84.4 | Confident | 79 Ų | 79 | 36.8 Ų | 36.8 | 37% | 0.369 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -76.3 | -9.4 | 172.2 | -62.5 | 168.9 | 138.5 | 0 | 0 | 112.5 | Q12 V14 W60 | Q12-E35 WeakPolarHBondContact CB-OE2 3.39Å; Q12-E35 PolarHBondContact N-OE2 2.61Å; Q12-E35 PolarHBondContact O-N 3.39Å; V14-E35 HydrophobicContact CG2-CG 4.44Å; E35-W60 VanDerWaalsContact O-CD1 3.29Å; E35-W60 PolarHBondContact O-NE1 2.93Å |
| 36 | Q | 72.9 | Confident | 84.2 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -142.9 | 173.3 | -172.3 | -62.6 | -179.2 | -6.1 | 0 | 0 | 111.2 | A34 T38 V82 | A34-Q36 PolarHBondContact O-N 2.98Å; Q36-T38 PolarHBondContact O-N 2.9Å; Q36-V82 HydrophobicContact CB-CG1 3.73Å; Q36-V82 HydrophobicContact CG-CG1 4.49Å |
| 37 | K | 73.3 | Confident | 83.7 | Confident | 114 Ų | 114 | 33.7 Ų | 33.7 | 50% | 0.496 | 17% | 0.171 | S | C | . | . | trans | -56.8 | 136.2 | 177.9 | -173.7 | -171.2 | 173.7 | -163.1 | 0 | 111.5 | W60 E83 | K37-W60 HydrophobicContact CB-CE3 4.26Å; K37-W60 HydrophobicContact CB-CZ3 4.04Å; K37-E83 PolarHBondContact O-N 3.01Å | ||
| 38 | T | 79.7 | Confident | 82.5 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 153.4 | 175.6 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | A34 Q36 S62 C80 L81 V82 | A34-T38 HydrophobicContact CB-CG2 3.83Å; Q36-T38 PolarHBondContact O-N 2.9Å; T38-S62 WeakPolarHBondContact OG1-CB 3.47Å; T38-S62 PolarHBondContact OG1-OG 2.77Å; T38-C80 WeakPolarHBondContact CG2-SG 3.31Å; T38-L81 CarbonylContact C-O 3.58Å; T38-L81 VanDerWaalsContact CA-O 3.22Å; T38-L81 WeakPolarHBondContact CA-O 3.39Å; T38-V82 HydrophobicContact CG2-CG2 4.25Å |
| 39 | V | 85 | Confident | 81.7 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.6 | 170.2 | 173.3 | 0 | 0 | 0 | 0 | 106.7 | L41 L81 E83 | V39-L41 HydrophobicContact CG1-CD2 4.39Å; V39-L81 PolarHBondContact N-O 2.96Å; V39-L81 WeakPolarHBondContact O-CB 3.42Å; V39-L81 PolarHBondContact O-N 3.34Å; V39-E83 HydrophobicContact CG2-CG 4.27Å; V39-E83 VanDerWaalsContact CG2-OE2 3.29Å; V39-E83 WeakPolarHBondContact CG2-OE2 3.3Å |
| 40 | W | 89.3 | Confident | 80.7 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 144.9 | 179.7 | -72.9 | 83.4 | 0 | 0 | 0 | 112 | P17 F30 C32 P46 V47 L54 S62 L64 I78 S79 C80 | P17-W40 HydrophobicContact CB-CH2 3.94Å; P17-W40 HydrophobicContact CB-CZ3 3.89Å; P17-W40 HydrophobicContact CG-CH2 4.45Å; P17-W40 HydrophobicContact CG-CZ3 4.24Å; F30-W40 HydrophobicContact CB-CH2 3.48Å; F30-W40 VanDerWaalsContact CB-CH2 3.48Å; F30-W40 HydrophobicContact CB-CZ3 3.54Å; F30-W40 HydrophobicContact CG-CZ3 4.43Å; C32-W40 HydrophobicContact CB-CH2 3.56Å; C32-W40 HydrophobicContact CB-CZ2 3.23Å; W40-P46 WeakPolarHBondContact O-CA 3.33Å; W40-V47 HydrophobicContact CB-CG2 3.49Å; W40-V47 VanDerWaalsContact CB-CG2 3.49Å; W40-V47 WeakPolarHBondContact O-CG2 3.33Å; W40-V47 PolarHBondContact O-N 3.42Å; W40-V47 VanDerWaalsContact O-N 3.16Å; W40-L54 HydrophobicContact CB-CD2 3.99Å; W40-L54 HydrophobicContact CG-CD2 3.72Å; W40-S62 PolarHBondContact NE1-OG 3.03Å; W40-L64 HydrophobicContact CB-CD2 4.07Å; W40-L64 HydrophobicContact CD2-CB 3.47Å; W40-L64 VanDerWaalsContact CD2-CB 3.47Å; W40-L64 HydrophobicContact CD2-CD2 3.91Å; W40-L64 HydrophobicContact CD2-CG 4.29Å; W40-L64 HydrophobicContact CE3-CB 3.65Å; W40-L64 HydrophobicContact CE3-CD2 3.51Å; W40-L64 HydrophobicContact CE3-CG 4.22Å; W40-L64 HydrophobicContact CG-CB 3.92Å; W40-L64 HydrophobicContact CG-CD2 4.21Å; W40-L64 HydrophobicContact CH2-CB 4.07Å; W40-L64 HydrophobicContact CZ2-CB 3.9Å; W40-L64 HydrophobicContact CZ3-CB 3.96Å; W40-L64 HydrophobicContact CZ3-CD2 4.17Å; W40-I78 HydrophobicContact CE3-CG2 3.83Å; W40-I78 HydrophobicContact CZ3-CG2 3.8Å; W40-S79 WeakPolarHBondContact CA-O 3.48Å; W40-C80 HydrophobicContact CD2-CB 4.27Å; W40-C80 HydrophobicContact CE3-CB 4.07Å; W40-C80 HydrophobicContact CH2-CB 4.23Å; W40-C80 HydrophobicContact CZ2-CB 4.41Å; W40-C80 HydrophobicContact CZ3-CB 4.04Å |
| 41 | L | 87.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 148.8 | -175.9 | -54 | 179.1 | 0 | 0 | 0 | 109.7 | V39 R45 P46 I78 S79 L81 R88 E91 | V39-L41 HydrophobicContact CG1-CD2 4.39Å; L41-R45 CarbonylContact C-O 3.56Å; L41-R45 VanDerWaalsContact CA-O 3.23Å; L41-R45 WeakPolarHBondContact CA-O 3.41Å; L41-P46 HydrophobicContact CD2-CG 3.98Å; L41-I78 WeakPolarHBondContact O-CA 3.42Å; L41-S79 PolarHBondContact N-O 3.39Å; L41-S79 PolarHBondContact O-N 2.86Å; L41-L81 HydrophobicContact CD1-CB 4Å; L41-L81 HydrophobicContact CD1-CD2 4.08Å; L41-L81 HydrophobicContact CD2-CD2 4.45Å; L41-L81 HydrophobicContact CG-CB 4.26Å; L41-R88 VanDerWaalsContact CD1-NH1 3.3Å; L41-E91 HydrophobicContact CD1-CG 4.49Å; L41-E91 WeakPolarHBondContact CD1-OE1 3.44Å |
| 42 | R | 88.2 | Confident | 80.2 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127 | 164 | 177 | 176.2 | 179.8 | -133.3 | -12.4 | 108.3 | G44 R45 V47 Y52 R72 D73 S76 E77 I78 | R42-G44 VanDerWaalsContact C-N 3.29Å; R42-G44 PolarHBondContact O-N 3.15Å; R42-R45 PolarHBondContact N-O 3.46Å; R42-R45 PolarHBondContact O-N 2.84Å; R42-R45 VanDerWaalsContact O-O 3.14Å; R42-V47 HydrophobicContact CB-CG1 3.64Å; R42-Y52 WeakPolarHBondContact CD-OH 3.48Å; R42-Y52 PolarHBondContact NE-OH 2.96Å; R42-Y52 PolarHBondContact NH1-OH 2.97Å; R42-R72 PolarHBondContact NH2-O 3.43Å; R42-D73 IonicContact CZ-OD1 3.41Å; R42-D73 IonicContact NH1-OD1 3.85Å; R42-D73 PolarHBondContact NH1-OD1 2.72Å; R42-D73 IonicContact NH2-OD1 2.66Å; R42-D73 PolarHBondContact NH2-OD1 3.29Å; R42-S76 PolarHBondContact NE-OG 3Å; R42-S76 PolarHBondContact NH2-OG 2.83Å; R42-E77 CarbonylContact C-O 3.49Å; R42-E77 WeakPolarHBondContact CA-O 3.26Å; R42-I78 HydrophobicContact CB-CD1 4.02Å; R42-I78 HydrophobicContact CG-CD1 3.9Å |
| 43 | N | 86.1 | Confident | 79.9 | Confident | 73 Ų | 73 | 47.5 Ų | 47.5 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 50.7 | -174.8 | -58.6 | 2.6 | 0 | 0 | 0 | 111.2 | S76 E77 | N43-S76 WeakPolarHBondContact OD1-CA 3.25Å; N43-E77 PolarHBondContact N-O 2.92Å; N43-E77 PolarHBondContact OD1-N 3.08Å; N43-E77 PolarHBondContact OD1-O 2.94Å |
| 44 | G | 79.4 | Confident | 79.8 | Confident | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 3.4 | 176 | 0 | 0 | 0 | 0 | 0 | 116.7 | R42 R88 | R42-G44 VanDerWaalsContact C-N 3.29Å; R42-G44 PolarHBondContact O-N 3.15Å; G44-R88 PolarHBondContact O-NH1 3.15Å; G44-R88 PolarHBondContact O-NH2 3.26Å |
| 45 | R | 82 | Confident | 79.9 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 144.5 | -161.2 | -117 | 172.9 | 172.7 | -128.3 | 15.1 | 114.1 | L41 R42 V47 E1034 | L41-R45 CarbonylContact C-O 3.56Å; L41-R45 VanDerWaalsContact CA-O 3.23Å; L41-R45 WeakPolarHBondContact CA-O 3.41Å; R42-R45 PolarHBondContact N-O 3.46Å; R42-R45 PolarHBondContact O-N 2.84Å; R42-R45 VanDerWaalsContact O-O 3.14Å; R45-V47 PolarHBondContact O-N 2.89Å; R45-E1034 VanDerWaalsContact C-OE1 3.25Å; R45-E1034 HydrophobicContact CB-CG 3.6Å; R45-E1034 WeakPolarHBondContact CB-OE1 3.18Å; R45-E1034 VanDerWaalsContact CD-N 3.29Å; R45-E1034 WeakPolarHBondContact CD-OE2 3.02Å; R45-E1034 VanDerWaalsContact CG-CD 3.49Å; R45-E1034 HydrophobicContact CG-CG 4.09Å; R45-E1034 WeakPolarHBondContact CG-OE2 2.9Å; R45-E1034 IonicContact CZ-OE2 3.03Å; R45-E1034 IonicContact NE-OE2 3.17Å; R45-E1034 PolarHBondContact NE-OE2 3.33Å; R45-E1034 PolarHBondContact NH1-O 3.22Å; R45-E1034 IonicContact NH1-OE2 3.61Å; R45-E1034 PolarHBondContact NH1-OE2 2.93Å |
| 46 | P | 80.4 | Confident | 80.2 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 41% | 0.409 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.4 | 127.4 | -169 | -32.3 | 37.6 | 0 | 0 | 0 | 119.2 | W40 L41 S48 E1034 | W40-P46 WeakPolarHBondContact O-CA 3.33Å; L41-P46 HydrophobicContact CD2-CG 3.98Å; P46-S48 PolarHBondContact O-N 2.69Å; P46-S48 VanDerWaalsContact O-N 3.15Å; P46-E1034 VanDerWaalsContact CD-OE1 3.26Å; P46-E1034 WeakPolarHBondContact CD-OE1 3.49Å |
| 47 | V | 78 | Confident | 80 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | trans | -70.8 | 110.2 | 170.3 | -83.1 | 0 | 0 | 0 | 0 | 111.9 | W40 R42 R45 Y52 L54 L64 | W40-V47 HydrophobicContact CB-CG2 3.49Å; W40-V47 VanDerWaalsContact CB-CG2 3.49Å; W40-V47 WeakPolarHBondContact O-CG2 3.33Å; W40-V47 PolarHBondContact O-N 3.42Å; W40-V47 VanDerWaalsContact O-N 3.16Å; R42-V47 HydrophobicContact CB-CG1 3.64Å; R45-V47 PolarHBondContact O-N 2.89Å; V47-Y52 HydrophobicContact CB-CD1 4.42Å; V47-Y52 HydrophobicContact CB-CG 3.99Å; V47-Y52 HydrophobicContact CG1-CD1 3.7Å; V47-Y52 HydrophobicContact CG1-CD2 4.21Å; V47-Y52 HydrophobicContact CG1-CE1 4.29Å; V47-Y52 HydrophobicContact CG1-CG 3.69Å; V47-L54 HydrophobicContact CG2-CD1 4.21Å; V47-L64 HydrophobicContact CG1-CD2 4.42Å; V47-L64 HydrophobicContact CG2-CD1 3.94Å; V47-L64 HydrophobicContact CG2-CD2 4.29Å | ||
| 48 | S | 64.8 | Low | 79.9 | Confident | 106 Ų | 106 | 52 Ų | 52 | 74% | 0.741 | 30% | 0.303 | S | S | * | . | trans | -120 | -10.1 | -172.8 | 47.8 | 0 | 0 | 0 | 0 | 114.9 | P46 | P46-S48 PolarHBondContact O-N 2.69Å; P46-S48 VanDerWaalsContact O-N 3.15Å | ||
| 49 | H | 73.8 | Confident | 79.5 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 43% | 0.431 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -95.3 | 129.5 | -175 | 170.9 | 5.4 | 0 | 0 | 0 | 111.3 | R51 Y52 R72 | H49-R51 PolarHBondContact O-N 2.83Å; H49-Y52 HydrophobicContact CB-CD2 4.08Å; H49-Y52 HydrophobicContact CB-CE2 4.42Å; H49-Y52 WeakPolarHBondContact O-CB 3.37Å; H49-Y52 VanDerWaalsContact O-CD2 3.28Å; H49-Y52 WeakPolarHBondContact O-CD2 3.33Å; H49-Y52 PolarHBondContact O-N 3.02Å; H49-R72 PolarHBondContact NE2-NH2 2.82Å |
| 50 | A | 69.2 | Low | 79 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -6.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | Y52 N53 | A50-Y52 VanDerWaalsContact C-N 3.31Å; A50-N53 PolarHBondContact O-ND2 2.84Å |
| 51 | R | 83.8 | Confident | 78.7 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.045 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -26.2 | 165.4 | -66 | -169 | -52.5 | 137.6 | 5 | 112.6 | H49 N53 V66 E67 P68 D73 | H49-R51 PolarHBondContact O-N 2.83Å; R51-N53 PolarHBondContact O-N 2.8Å; R51-N53 PolarHBondContact O-ND2 2.85Å; R51-V66 WeakPolarHBondContact O-CA 3.29Å; R51-E67 WeakPolarHBondContact CB-O 3.4Å; R51-E67 PolarHBondContact O-N 2.9Å; R51-P68 PolarHBondContact NH1-O 2.81Å; R51-D73 IonicContact CZ-OD1 3.85Å; R51-D73 IonicContact CZ-OD2 3.16Å; R51-D73 VanDerWaalsContact CZ-OD2 3.3Å; R51-D73 IonicContact NH1-OD1 3.82Å; R51-D73 IonicContact NH1-OD2 3.96Å; R51-D73 PolarHBondContact NH1-OD2 3.08Å; R51-D73 VanDerWaalsContact NH2-CG 3.32Å; R51-D73 IonicContact NH2-OD1 2.88Å; R51-D73 PolarHBondContact NH2-OD1 2.94Å; R51-D73 IonicContact NH2-OD2 3.71Å; R51-D73 PolarHBondContact NH2-OD2 2.93Å |
| 52 | Y | 85.1 | Confident | 78.6 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 82.9 | 177 | -61.9 | -76 | 0 | 0 | 0 | 108.3 | R42 V47 H49 A50 L64 R65 V66 D73 | R42-Y52 WeakPolarHBondContact CD-OH 3.48Å; R42-Y52 PolarHBondContact NE-OH 2.96Å; R42-Y52 PolarHBondContact NH1-OH 2.97Å; V47-Y52 HydrophobicContact CB-CD1 4.42Å; V47-Y52 HydrophobicContact CB-CG 3.99Å; V47-Y52 HydrophobicContact CG1-CD1 3.7Å; V47-Y52 HydrophobicContact CG1-CD2 4.21Å; V47-Y52 HydrophobicContact CG1-CE1 4.29Å; V47-Y52 HydrophobicContact CG1-CG 3.69Å; H49-Y52 HydrophobicContact CB-CD2 4.08Å; H49-Y52 HydrophobicContact CB-CE2 4.42Å; H49-Y52 WeakPolarHBondContact O-CB 3.37Å; H49-Y52 VanDerWaalsContact O-CD2 3.28Å; H49-Y52 WeakPolarHBondContact O-CD2 3.33Å; H49-Y52 PolarHBondContact O-N 3.02Å; A50-Y52 VanDerWaalsContact C-N 3.31Å; Y52-L64 HydrophobicContact CD1-CD1 4.19Å; Y52-R65 CarbonylContact C-O 3.6Å; Y52-R65 VanDerWaalsContact CA-O 3.32Å; Y52-R65 WeakPolarHBondContact CA-O 3.15Å; Y52-V66 HydrophobicContact CD1-CB 4.46Å; Y52-V66 HydrophobicContact CD1-CG1 4.33Å; Y52-V66 HydrophobicContact CD1-CG2 3.77Å; Y52-V66 HydrophobicContact CE1-CB 4.24Å; Y52-V66 HydrophobicContact CE1-CG1 3.77Å; Y52-V66 HydrophobicContact CE1-CG2 3.58Å; Y52-D73 PolarHBondContact OH-OD1 3.03Å; Y52-D73 VanDerWaalsContact OH-OD1 3.12Å |
| 53 | N | 82.5 | Confident | 78.5 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.5 | -179.9 | -69 | -105.3 | 0 | 0 | 0 | 108.4 | A50 R51 R65 R146 | A50-N53 PolarHBondContact O-ND2 2.84Å; R51-N53 PolarHBondContact O-N 2.8Å; R51-N53 PolarHBondContact O-ND2 2.85Å; N53-R65 HydrophobicContact CB-CB 4.32Å; N53-R65 PolarHBondContact N-O 3.41Å; N53-R65 PolarHBondContact O-N 3.07Å; N53-R146 VanDerWaalsContact CG-NH2 3.28Å; N53-R146 VanDerWaalsContact OD1-CZ 3.24Å; N53-R146 PolarHBondContact OD1-NH1 2.81Å; N53-R146 PolarHBondContact OD1-NH2 3.05Å |
| 54 | L | 82 | Confident | 78.7 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.1 | -179 | -80.1 | 165.4 | 0 | 0 | 0 | 109.8 | W40 V47 G63 L64 | W40-L54 HydrophobicContact CB-CD2 3.99Å; W40-L54 HydrophobicContact CG-CD2 3.72Å; V47-L54 HydrophobicContact CG2-CD1 4.21Å; L54-G63 WeakPolarHBondContact CA-O 3.49Å; L54-L64 HydrophobicContact CD2-CB 4.05Å; L54-L64 HydrophobicContact CD2-CD1 3.91Å; L54-L64 HydrophobicContact CG-CD1 4.13Å |
| 55 | E | 80.8 | Confident | 79.2 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.7 | 169.8 | -54.1 | -55.7 | 159.1 | 0 | 0 | 110.1 | S62 G63 R146 L147 | E55-S62 WeakPolarHBondContact O-CA 3.26Å; E55-G63 PolarHBondContact N-O 2.87Å; E55-G63 PolarHBondContact O-N 2.85Å; E55-R146 HydrophobicContact CG-CB 3.89Å; E55-R146 HydrophobicContact CG-CG 4.49Å; E55-R146 VanDerWaalsContact OE1-CD 3.3Å; E55-R146 WeakPolarHBondContact OE1-CD 3.28Å; E55-R146 IonicContact OE1-CZ 3.3Å; E55-R146 IonicContact OE1-NE 3.41Å; E55-R146 IonicContact OE1-NH1 3.5Å; E55-R146 PolarHBondContact OE1-NH1 3.33Å; E55-L147 HydrophobicContact CB-CD1 4.27Å; E55-L147 HydrophobicContact CB-CD2 3.86Å; E55-L147 HydrophobicContact CB-CG 3.78Å |
| 56 | N | 79.6 | Confident | 79.6 | Confident | 121 Ų | 121 | 50.6 Ų | 50.6 | 65% | 0.647 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.7 | 174.6 | -66.7 | -68.9 | 0 | 0 | 0 | 109.6 | ||
| 57 | G | 70 | Confident | 79.9 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | trans | -100.2 | -176.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | L61 L147 | G57-L61 WeakPolarHBondContact CA-O 3.47Å; G57-L61 PolarHBondContact N-O 3.05Å; G57-L147 VanDerWaalsContact CA-CD1 3.48Å | ||
| 58 | P | 69.9 | Low | 80.4 | Confident | 99 Ų | 99 | 52 Ų | 52 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -64.3 | 160.7 | 174.9 | 28.8 | -35.3 | 0 | 0 | 0 | 111.8 | W60 L61 | P58-W60 PolarHBondContact O-N 2.75Å; P58-L61 WeakPolarHBondContact O-CB 3.23Å; P58-L61 PolarHBondContact O-N 3.41Å; P58-L61 VanDerWaalsContact O-N 3.14Å |
| 59 | N | 71.1 | Confident | 81.5 | Confident | 100 Ų | 100 | 46.9 Ų | 46.9 | 54% | 0.535 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | 55.2 | 35.7 | 175.2 | -52.9 | -13.8 | 0 | 0 | 0 | 114 | Q33 L61 | Q33-N59 VanDerWaalsContact CG-O 3.23Å; Q33-N59 WeakPolarHBondContact CG-O 3.49Å; Q33-N59 PolarHBondContact NE2-O 3.22Å; N59-L61 PolarHBondContact O-N 2.85Å |
| 60 | W | 75.3 | Confident | 82.2 | Confident | 127 Ų | 127 | 47.3 Ų | 47.3 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | 57.1 | 20.3 | -176.4 | -43.9 | 112.7 | 0 | 0 | 0 | 115.8 | A34 E35 K37 P58 S62 | A34-W60 WeakPolarHBondContact O-CB 3.4Å; E35-W60 VanDerWaalsContact O-CD1 3.29Å; E35-W60 PolarHBondContact O-NE1 2.93Å; K37-W60 HydrophobicContact CB-CE3 4.26Å; K37-W60 HydrophobicContact CB-CZ3 4.04Å; P58-W60 PolarHBondContact O-N 2.75Å; W60-S62 PolarHBondContact O-N 3.35Å |
| 61 | L | 83 | Confident | 83 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 121 | 167.6 | 178.9 | 61.4 | 0 | 0 | 0 | 108.4 | L15 C32 Q33 G57 P58 N59 P148 | L15-L61 HydrophobicContact CD2-CD1 4.18Å; C32-L61 CarbonylContact O-C 3.5Å; C32-L61 WeakPolarHBondContact O-CA 3.05Å; Q33-L61 HydrophobicContact CB-CB 4.47Å; Q33-L61 HydrophobicContact CB-CD1 4.09Å; Q33-L61 HydrophobicContact CG-CB 4.22Å; G57-L61 WeakPolarHBondContact CA-O 3.47Å; G57-L61 PolarHBondContact N-O 3.05Å; P58-L61 WeakPolarHBondContact O-CB 3.23Å; P58-L61 PolarHBondContact O-N 3.41Å; P58-L61 VanDerWaalsContact O-N 3.14Å; N59-L61 PolarHBondContact O-N 2.85Å; L61-P148 HydrophobicContact CD2-CB 4.32Å; L61-P148 HydrophobicContact CD2-CG 4.03Å |
| 62 | S | 85.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.5 | 173.9 | 62.6 | 0 | 0 | 0 | 0 | 110.1 | C32 T38 W40 E55 W60 | C32-S62 PolarHBondContact N-O 2.87Å; C32-S62 PolarHBondContact O-N 3.16Å; C32-S62 PolarHBondContact O-OG 2.95Å; T38-S62 WeakPolarHBondContact OG1-CB 3.47Å; T38-S62 PolarHBondContact OG1-OG 2.77Å; W40-S62 PolarHBondContact NE1-OG 3.03Å; E55-S62 WeakPolarHBondContact O-CA 3.26Å; W60-S62 PolarHBondContact O-N 3.35Å |
| 63 | G | 86.1 | Confident | 83.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F30 L54 E55 | F30-G63 WeakPolarHBondContact O-CA 3.48Å; L54-G63 WeakPolarHBondContact CA-O 3.49Å; E55-G63 PolarHBondContact N-O 2.87Å; E55-G63 PolarHBondContact O-N 2.85Å |
| 64 | L | 90.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.8 | 167 | 171.4 | 64.2 | 0 | 0 | 0 | 109.1 | F30 W40 V47 Y52 L54 I78 | F30-L64 HydrophobicContact CB-CB 4.44Å; F30-L64 PolarHBondContact N-O 2.82Å; F30-L64 PolarHBondContact O-N 3.39Å; W40-L64 HydrophobicContact CB-CD2 4.07Å; W40-L64 HydrophobicContact CD2-CB 3.47Å; W40-L64 VanDerWaalsContact CD2-CB 3.47Å; W40-L64 HydrophobicContact CD2-CD2 3.91Å; W40-L64 HydrophobicContact CD2-CG 4.29Å; W40-L64 HydrophobicContact CE3-CB 3.65Å; W40-L64 HydrophobicContact CE3-CD2 3.51Å; W40-L64 HydrophobicContact CE3-CG 4.22Å; W40-L64 HydrophobicContact CG-CB 3.92Å; W40-L64 HydrophobicContact CG-CD2 4.21Å; W40-L64 HydrophobicContact CH2-CB 4.07Å; W40-L64 HydrophobicContact CZ2-CB 3.9Å; W40-L64 HydrophobicContact CZ3-CB 3.96Å; W40-L64 HydrophobicContact CZ3-CD2 4.17Å; V47-L64 HydrophobicContact CG1-CD2 4.42Å; V47-L64 HydrophobicContact CG2-CD1 3.94Å; V47-L64 HydrophobicContact CG2-CD2 4.29Å; Y52-L64 HydrophobicContact CD1-CD1 4.19Å; L54-L64 HydrophobicContact CD2-CB 4.05Å; L54-L64 HydrophobicContact CD2-CD1 3.91Å; L54-L64 HydrophobicContact CG-CD1 4.13Å; L64-I78 HydrophobicContact CD2-CG2 3.53Å |
| 65 | R | 90.1 | Very high | 83.7 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.011 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.9 | 177.7 | 177.3 | 160 | 178.7 | 154.6 | -46.9 | 112.9 | K27 A28 T29 Y52 N53 E67 E178 H189 | K27-R65 VanDerWaalsContact CD-NH2 3.34Å; K27-R65 VanDerWaalsContact NZ-NH2 3.16Å; A28-R65 CarbonylContact O-C 3.59Å; A28-R65 WeakPolarHBondContact O-CA 3.31Å; T29-R65 HydrophobicContact CG2-CB 4.44Å; T29-R65 PolarHBondContact OG1-NH1 3.24Å; Y52-R65 CarbonylContact C-O 3.6Å; Y52-R65 VanDerWaalsContact CA-O 3.32Å; Y52-R65 WeakPolarHBondContact CA-O 3.15Å; N53-R65 HydrophobicContact CB-CB 4.32Å; N53-R65 PolarHBondContact N-O 3.41Å; N53-R65 PolarHBondContact O-N 3.07Å; R65-E67 HydrophobicContact CG-CB 4.27Å; R65-E67 IonicContact CZ-OE2 2.68Å; R65-E67 IonicContact NE-OE2 2.75Å; R65-E67 PolarHBondContact NE-OE2 2.84Å; R65-E67 IonicContact NH2-OE1 2.78Å; R65-E67 IonicContact NH2-OE2 2.59Å; R65-E67 PolarHBondContact NH2-OE2 2.76Å; R65-E178 IonicContact CZ-OE1 3.15Å; R65-E178 IonicContact CZ-OE2 2.69Å; R65-E178 IonicContact NH1-OE1 2.65Å; R65-E178 PolarHBondContact NH1-OE1 2.9Å; R65-E178 IonicContact NH1-OE2 2.97Å; R65-E178 VanDerWaalsContact NH2-CD 3.26Å; R65-E178 IonicContact NH2-OE1 2.89Å; R65-E178 PolarHBondContact NH2-OE1 2.86Å; R65-E178 IonicContact NH2-OE2 3.99Å; R65-E178 PolarHBondContact NH2-OE2 2.77Å; R65-H189 PolarHBondContact NH1-ND1 2.78Å |
| 66 | V | 90.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 113.2 | 171 | -164.3 | 0 | 0 | 0 | 0 | 108.7 | A28 F30 R51 Y52 V69 L96 | A28-V66 HydrophobicContact CB-CB 4.33Å; A28-V66 HydrophobicContact CB-CG2 4.47Å; A28-V66 PolarHBondContact N-O 2.75Å; A28-V66 PolarHBondContact O-N 2.93Å; F30-V66 HydrophobicContact CE2-CG2 4.46Å; R51-V66 WeakPolarHBondContact O-CA 3.29Å; Y52-V66 HydrophobicContact CD1-CB 4.46Å; Y52-V66 HydrophobicContact CD1-CG1 4.33Å; Y52-V66 HydrophobicContact CD1-CG2 3.77Å; Y52-V66 HydrophobicContact CE1-CB 4.24Å; Y52-V66 HydrophobicContact CE1-CG1 3.77Å; Y52-V66 HydrophobicContact CE1-CG2 3.58Å; V66-V69 HydrophobicContact CB-CG2 4.06Å; V66-V69 HydrophobicContact CG1-CG2 4.14Å; V66-V69 WeakPolarHBondContact O-CG2 3.37Å; V66-L96 HydrophobicContact CG2-CD2 4.17Å |
| 67 | E | 86.9 | Confident | 84.3 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -145.2 | 125 | 179.7 | -173.4 | 167.7 | -178.6 | 0 | 0 | 111.2 | K27 R51 R65 | K27-E67 WeakPolarHBondContact CE-OE1 3.33Å; K27-E67 HydrophobicContact CG-CG 4.01Å; K27-E67 IonicContact NZ-OE1 3.61Å; R51-E67 WeakPolarHBondContact CB-O 3.4Å; R51-E67 PolarHBondContact O-N 2.9Å; R65-E67 HydrophobicContact CG-CB 4.27Å; R65-E67 IonicContact CZ-OE2 2.68Å; R65-E67 IonicContact NE-OE2 2.75Å; R65-E67 PolarHBondContact NE-OE2 2.84Å; R65-E67 IonicContact NH2-OE1 2.78Å; R65-E67 IonicContact NH2-OE2 2.59Å; R65-E67 PolarHBondContact NH2-OE2 2.76Å |
| 68 | P | 87.9 | Confident | 85.3 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 34% | 0.338 | 24% | 0.243 | S | C | . | . | S | Bend | cis | -69.5 | 146.5 | -20 | 31.9 | -34.8 | 0 | 0 | 0 | 110.9 | S26 R51 | S26-P68 WeakPolarHBondContact O-CA 3.5Å; R51-P68 PolarHBondContact NH1-O 2.81Å |
| 69 | V | 89.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -66 | 142.6 | 168.4 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | V22 N25 S26 A28 V66 L96 V98 | V22-V69 HydrophobicContact CG2-CB 4.3Å; V22-V69 HydrophobicContact CG2-CG1 3.78Å; V22-V69 HydrophobicContact CG2-CG2 4.12Å; N25-V69 WeakPolarHBondContact CA-O 3.29Å; N25-V69 PolarHBondContact N-O 2.88Å; S26-V69 PolarHBondContact O-N 2.82Å; A28-V69 HydrophobicContact CB-CG2 3.69Å; V66-V69 HydrophobicContact CB-CG2 4.06Å; V66-V69 HydrophobicContact CG1-CG2 4.14Å; V66-V69 WeakPolarHBondContact O-CG2 3.37Å; V69-L96 HydrophobicContact CG1-CD2 4.39Å; V69-V98 HydrophobicContact CG1-CB 4.26Å; V69-V98 HydrophobicContact CG1-CG1 3.74Å; V69-V98 HydrophobicContact CG1-CG2 3.42Å; V69-V98 VanDerWaalsContact CG1-CG2 3.42Å | ||
| 70 | R | 88.3 | Confident | 87 | Confident | 102 Ų | 102 | 41 Ų | 41 | 39% | 0.385 | 19% | 0.187 | S | C | . | . | trans | -127.3 | 158.7 | 177.9 | -67.4 | 176.4 | -173.3 | -172.9 | 0.7 | 110.3 | R72 D73 | R70-R72 HydrophobicContact CB-CG 4Å; R70-R72 PolarHBondContact O-N 2.85Å; R70-D73 PolarHBondContact N-OD2 2.85Å; R70-D73 WeakPolarHBondContact O-CA 3.27Å; R70-D73 WeakPolarHBondContact O-CB 3.28Å; R70-D73 PolarHBondContact O-N 2.9Å | ||
| 71 | E | 84.9 | Confident | 87.5 | Confident | 95 Ų | 95 | 35.1 Ų | 35.1 | 44% | 0.444 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -57.9 | -32.5 | 179.2 | -166.1 | 161.2 | -146.6 | 0 | 0 | 113 | V24 D73 N74 Q100 | V24-E71 HydrophobicContact CG2-CB 4.16Å; V24-E71 HydrophobicContact CG2-CG 4.48Å; E71-D73 PolarHBondContact O-N 3.15Å; E71-D73 VanDerWaalsContact O-N 3.08Å; E71-N74 WeakPolarHBondContact O-CB 3.48Å; E71-N74 PolarHBondContact O-N 3.03Å; E71-Q100 PolarHBondContact OE1-NE2 3.34Å |
| 72 | R | 85.8 | Confident | 87.4 | Confident | 139 Ų | 139 | 34 Ų | 34 | 53% | 0.525 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -65.2 | -4 | 169.5 | 75.5 | -178.7 | -171.7 | -177.5 | 5.4 | 115.3 | R42 H49 R70 | R42-R72 PolarHBondContact NH2-O 3.43Å; H49-R72 PolarHBondContact NE2-NH2 2.82Å; R70-R72 HydrophobicContact CB-CG 4Å; R70-R72 PolarHBondContact O-N 2.85Å |
| 73 | D | 86.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -102.1 | -4.5 | 174.8 | -45.2 | -44 | 0 | 0 | 0 | 111.8 | R42 R51 Y52 R70 E71 S76 L96 V98 | R42-D73 IonicContact CZ-OD1 3.41Å; R42-D73 IonicContact NH1-OD1 3.85Å; R42-D73 PolarHBondContact NH1-OD1 2.72Å; R42-D73 IonicContact NH2-OD1 2.66Å; R42-D73 PolarHBondContact NH2-OD1 3.29Å; R51-D73 IonicContact CZ-OD1 3.85Å; R51-D73 IonicContact CZ-OD2 3.16Å; R51-D73 VanDerWaalsContact CZ-OD2 3.3Å; R51-D73 IonicContact NH1-OD1 3.82Å; R51-D73 IonicContact NH1-OD2 3.96Å; R51-D73 PolarHBondContact NH1-OD2 3.08Å; R51-D73 VanDerWaalsContact NH2-CG 3.32Å; R51-D73 IonicContact NH2-OD1 2.88Å; R51-D73 PolarHBondContact NH2-OD1 2.94Å; R51-D73 IonicContact NH2-OD2 3.71Å; R51-D73 PolarHBondContact NH2-OD2 2.93Å; Y52-D73 PolarHBondContact OH-OD1 3.03Å; Y52-D73 VanDerWaalsContact OH-OD1 3.12Å; R70-D73 PolarHBondContact N-OD2 2.85Å; R70-D73 WeakPolarHBondContact O-CA 3.27Å; R70-D73 WeakPolarHBondContact O-CB 3.28Å; R70-D73 PolarHBondContact O-N 2.9Å; E71-D73 PolarHBondContact O-N 3.15Å; E71-D73 VanDerWaalsContact O-N 3.08Å; D73-S76 VanDerWaalsContact C-OG 3.27Å; D73-S76 WeakPolarHBondContact CA-OG 3.41Å; D73-S76 VanDerWaalsContact O-CB 3.28Å; D73-S76 WeakPolarHBondContact O-CB 3.1Å; D73-S76 PolarHBondContact O-N 3.17Å; D73-S76 PolarHBondContact O-OG 3.43Å; D73-L96 HydrophobicContact CB-CD2 3.87Å; D73-V98 HydrophobicContact CB-CG2 4.49Å |
| 74 | N | 89.2 | Confident | 85.9 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 31% | 0.305 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 140.5 | 171.9 | -164 | 9.6 | 0 | 0 | 0 | 111.6 | E71 S76 L96 V97 V98 | E71-N74 WeakPolarHBondContact O-CB 3.48Å; E71-N74 PolarHBondContact O-N 3.03Å; N74-S76 PolarHBondContact O-N 3.26Å; N74-S76 VanDerWaalsContact O-N 3.15Å; N74-L96 CarbonylContact C-O 3.55Å; N74-V97 WeakPolarHBondContact OD1-CA 3.25Å; N74-V98 HydrophobicContact CB-CB 3.91Å; N74-V98 HydrophobicContact CB-CG2 4.28Å; N74-V98 VanDerWaalsContact CG-O 3.24Å; N74-V98 PolarHBondContact ND2-O 2.61Å; N74-V98 VanDerWaalsContact ND2-O 3.11Å; N74-V98 PolarHBondContact OD1-N 2.78Å |
| 75 | N | 86.9 | Confident | 84.5 | Confident | 116 Ų | 116 | 44.8 Ų | 44.8 | 62% | 0.62 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 26.9 | -172.6 | -62.4 | -52.6 | 0 | 0 | 0 | 114.3 | L96 | N75-L96 WeakPolarHBondContact CA-O 3.39Å; N75-L96 PolarHBondContact N-O 3.5Å |
| 76 | S | 84.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 132.4 | 169.6 | -56.8 | 0 | 0 | 0 | 0 | 109.9 | R42 N43 D73 N74 L96 | R42-S76 PolarHBondContact NE-OG 3Å; R42-S76 PolarHBondContact NH2-OG 2.83Å; N43-S76 WeakPolarHBondContact OD1-CA 3.25Å; D73-S76 VanDerWaalsContact C-OG 3.27Å; D73-S76 WeakPolarHBondContact CA-OG 3.41Å; D73-S76 VanDerWaalsContact O-CB 3.28Å; D73-S76 WeakPolarHBondContact O-CB 3.1Å; D73-S76 PolarHBondContact O-N 3.17Å; D73-S76 PolarHBondContact O-OG 3.43Å; N74-S76 PolarHBondContact O-N 3.26Å; N74-S76 VanDerWaalsContact O-N 3.15Å; S76-L96 PolarHBondContact N-O 2.7Å; S76-L96 PolarHBondContact O-N 3.46Å |
| 77 | E | 89.2 | Confident | 81.7 | Confident | 83 Ų | 83 | 55.2 Ų | 55.2 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.7 | 167.4 | -170.5 | 163.1 | -150.5 | 0 | 0 | 108.6 | R42 N43 T93 | R42-E77 CarbonylContact C-O 3.49Å; R42-E77 WeakPolarHBondContact CA-O 3.26Å; N43-E77 PolarHBondContact N-O 2.92Å; N43-E77 PolarHBondContact OD1-N 3.08Å; N43-E77 PolarHBondContact OD1-O 2.94Å; E77-T93 HydrophobicContact CG-CG2 3.84Å; E77-T93 WeakPolarHBondContact OE1-CB 3.3Å; E77-T93 WeakPolarHBondContact OE1-CG2 3.26Å; E77-T93 PolarHBondContact OE1-OG1 2.82Å |
| 78 | I | 90.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 108.6 | -178.1 | -60.1 | -62 | 0 | 0 | 0 | 107.1 | F30 W40 L41 R42 L64 T93 A94 L96 | F30-I78 HydrophobicContact CB-CG2 4.37Å; F30-I78 HydrophobicContact CD1-CB 4.27Å; F30-I78 HydrophobicContact CD1-CG2 4.06Å; F30-I78 HydrophobicContact CD2-CG1 4.42Å; F30-I78 HydrophobicContact CD2-CG2 4.04Å; F30-I78 HydrophobicContact CE1-CB 4.13Å; F30-I78 HydrophobicContact CE1-CG1 4.23Å; F30-I78 HydrophobicContact CE1-CG2 4.38Å; F30-I78 HydrophobicContact CE2-CB 4.47Å; F30-I78 HydrophobicContact CE2-CG1 3.94Å; F30-I78 HydrophobicContact CE2-CG2 4.4Å; F30-I78 HydrophobicContact CG-CG2 3.89Å; F30-I78 HydrophobicContact CZ-CB 4.26Å; F30-I78 HydrophobicContact CZ-CG1 3.85Å; W40-I78 HydrophobicContact CE3-CG2 3.83Å; W40-I78 HydrophobicContact CZ3-CG2 3.8Å; L41-I78 WeakPolarHBondContact O-CA 3.42Å; R42-I78 HydrophobicContact CB-CD1 4.02Å; R42-I78 HydrophobicContact CG-CD1 3.9Å; L64-I78 HydrophobicContact CD2-CG2 3.53Å; I78-T93 CarbonylContact O-C 3.52Å; I78-T93 WeakPolarHBondContact O-CA 3.26Å; I78-A94 PolarHBondContact N-O 3.35Å; I78-A94 PolarHBondContact O-N 3.28Å; I78-L96 HydrophobicContact CG1-CB 4.29Å |
| 79 | S | 87.6 | Confident | 80.5 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139.8 | 176.7 | -14.4 | 0 | 0 | 0 | 0 | 111.9 | W40 L41 E91 A92 | W40-S79 WeakPolarHBondContact CA-O 3.48Å; L41-S79 PolarHBondContact N-O 3.39Å; L41-S79 PolarHBondContact O-N 2.86Å; S79-E91 WeakPolarHBondContact CB-OE1 3.03Å; S79-E91 PolarHBondContact OG-OE1 3.33Å; S79-A92 CarbonylContact C-O 3.57Å; S79-A92 WeakPolarHBondContact CA-O 3.4Å |
| 80 | C | 88.7 | Confident | 80 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 127.8 | 155 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | F13 P17 C32 T38 W40 E91 A92 | F13-C80 HydrophobicContact CE1-CB 4.14Å; F13-C80 VanDerWaalsContact CZ-O 3.31Å; F13-C80 WeakPolarHBondContact CZ-O 3.23Å; P17-C80 HydrophobicContact CG-CB 3.98Å; C32-C80 HydrophobicContact CB-CB 3.58Å; C32-C80 WeakPolarHBondContact CB-SG 3.27Å; C32-C80 WeakPolarHBondContact SG-CB 3.18Å; C32-C80 CovalentContact SG-SG 2.03Å; C32-C80 PolarHBondContact SG-SG 3.14Å; T38-C80 WeakPolarHBondContact CG2-SG 3.31Å; W40-C80 HydrophobicContact CD2-CB 4.27Å; W40-C80 HydrophobicContact CE3-CB 4.07Å; W40-C80 HydrophobicContact CH2-CB 4.23Å; W40-C80 HydrophobicContact CZ2-CB 4.41Å; W40-C80 HydrophobicContact CZ3-CB 4.04Å; C80-E91 CarbonylContact O-C 3.46Å; C80-E91 WeakPolarHBondContact O-CA 3.29Å; C80-A92 PolarHBondContact N-O 3.3Å; C80-A92 PolarHBondContact O-N 2.95Å |
| 81 | L | 86.2 | Confident | 79.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.9 | -176 | 170 | 69 | 0 | 0 | 0 | 109.8 | T38 V39 L41 E83 R88 A90 E91 | T38-L81 CarbonylContact C-O 3.58Å; T38-L81 VanDerWaalsContact CA-O 3.22Å; T38-L81 WeakPolarHBondContact CA-O 3.39Å; V39-L81 PolarHBondContact N-O 2.96Å; V39-L81 WeakPolarHBondContact O-CB 3.42Å; V39-L81 PolarHBondContact O-N 3.34Å; L41-L81 HydrophobicContact CD1-CB 4Å; L41-L81 HydrophobicContact CD1-CD2 4.08Å; L41-L81 HydrophobicContact CD2-CD2 4.45Å; L41-L81 HydrophobicContact CG-CB 4.26Å; L81-E83 HydrophobicContact CD2-CG 4.3Å; L81-E83 WeakPolarHBondContact CD2-OE1 3.44Å; L81-E83 HydrophobicContact CG-CG 4.19Å; L81-R88 HydrophobicContact CD1-CB 3.66Å; L81-R88 HydrophobicContact CD1-CG 3.94Å; L81-R88 HydrophobicContact CD2-CB 4.37Å; L81-R88 HydrophobicContact CD2-CG 3.76Å; L81-R88 HydrophobicContact CG-CG 4.48Å; L81-A90 CarbonylContact C-O 3.52Å; L81-A90 WeakPolarHBondContact CA-O 3.43Å; L81-E91 HydrophobicContact CD1-CB 4.18Å; L81-E91 HydrophobicContact CD1-CG 4.46Å |
| 82 | V | 81.3 | Confident | 80 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.4 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | A11 F13 A34 Q36 T38 V89 A90 | A11-V82 HydrophobicContact CB-CG1 3.81Å; F13-V82 HydrophobicContact CD1-CG2 4.12Å; F13-V82 HydrophobicContact CE1-CG2 3.46Å; F13-V82 VanDerWaalsContact CE1-CG2 3.46Å; F13-V82 HydrophobicContact CE2-CG2 4.25Å; F13-V82 HydrophobicContact CZ-CG2 3.56Å; A34-V82 HydrophobicContact CB-CG2 3.57Å; Q36-V82 HydrophobicContact CB-CG1 3.73Å; Q36-V82 HydrophobicContact CG-CG1 4.49Å; T38-V82 HydrophobicContact CG2-CG2 4.25Å; V82-V89 HydrophobicContact CB-CB 4.16Å; V82-V89 HydrophobicContact CG1-CB 4.13Å; V82-V89 HydrophobicContact CG1-CG1 4.32Å; V82-V89 WeakPolarHBondContact O-CB 3.18Å; V82-V89 WeakPolarHBondContact O-CG2 3.36Å; V82-V89 PolarHBondContact O-N 3.41Å; V82-A90 HydrophobicContact CB-CB 4.24Å; V82-A90 HydrophobicContact CG2-CB 4.36Å; V82-A90 PolarHBondContact N-O 3.11Å |
| 83 | E | 72.2 | Confident | 80.2 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | trans | -149.5 | 112.8 | -173 | -71.6 | -159.5 | 161.3 | 0 | 0 | 116.5 | K37 V39 L81 G1058 A1059 | K37-E83 PolarHBondContact O-N 3.01Å; V39-E83 HydrophobicContact CG2-CG 4.27Å; V39-E83 VanDerWaalsContact CG2-OE2 3.29Å; V39-E83 WeakPolarHBondContact CG2-OE2 3.3Å; L81-E83 HydrophobicContact CD2-CG 4.3Å; L81-E83 WeakPolarHBondContact CD2-OE1 3.44Å; L81-E83 HydrophobicContact CG-CG 4.19Å; E83-G1058 WeakPolarHBondContact O-CA 3.48Å; E83-A1059 VanDerWaalsContact CA-CA 3.44Å; E83-A1059 VanDerWaalsContact CA-N 3.3Å; E83-A1059 HydrophobicContact CB-CB 3.62Å; E83-A1059 HydrophobicContact CG-CB 3.46Å; E83-A1059 VanDerWaalsContact CG-CB 3.46Å; E83-A1059 PolarHBondContact O-N 3.17Å | ||
| 84 | Q | 67 | Low | 80.4 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -135.2 | 76 | 160.6 | -168.5 | -135 | -110.2 | 0 | 0 | 120.5 | A1059 V1060 | Q84-A1059 VanDerWaalsContact C-N 3.28Å; Q84-V1060 VanDerWaalsContact O-CA 3.31Å; Q84-V1060 WeakPolarHBondContact O-CA 3.01Å; Q84-V1060 WeakPolarHBondContact O-CB 3.31Å; Q84-V1060 WeakPolarHBondContact O-CG1 3.5Å; Q84-V1060 PolarHBondContact O-N 3.15Å |
| 85 | N | 59.8 | Low | 80.5 | Confident | 93 Ų | 93 | 50.2 Ų | 50.2 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 107.4 | 59.5 | -179.2 | -42.6 | 20.9 | 0 | 0 | 0 | 123 | M1057 G1058 A1059 V1060 | N85-M1057 PolarHBondContact OD1-O 3.24Å; N85-G1058 CarbonylContact C-O 3.52Å; N85-G1058 PolarHBondContact N-O 3.04Å; N85-A1059 CarbonylContact C-O 3.54Å; N85-A1059 VanDerWaalsContact N-CA 3.32Å; N85-V1060 HydrophobicContact CB-CB 3.86Å; N85-V1060 HydrophobicContact CB-CG1 4.34Å; N85-V1060 HydrophobicContact CB-CG2 4.36Å; N85-V1060 VanDerWaalsContact O-CG2 3.22Å; N85-V1060 WeakPolarHBondContact O-CG2 3.3Å |
| 86 | D | 61.7 | Low | 80.8 | Confident | 103 Ų | 103 | 44.7 Ų | 44.7 | 55% | 0.551 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 73.6 | 27.5 | 166.4 | -121 | 40.3 | 0 | 0 | 0 | 127.3 | M1057 G1058 A1059 | D86-M1057 HydrophobicContact CB-CB 4.18Å; D86-M1057 HydrophobicContact CB-CE 4.35Å; D86-M1057 HydrophobicContact CB-CG 3.87Å; D86-M1057 HydrophobicContact CB-SD 3.63Å; D86-M1057 WeakPolarHBondContact OD1-CG 3.27Å; D86-M1057 VanDerWaalsContact OD2-CE 3.24Å; D86-M1057 WeakPolarHBondContact OD2-CE 3.28Å; D86-G1058 WeakPolarHBondContact CA-O 3.07Å; D86-G1058 VanDerWaalsContact N-C 3.34Å; D86-G1058 PolarHBondContact N-O 2.6Å; D86-A1059 CarbonylContact C-O 3.58Å; D86-A1059 VanDerWaalsContact C-O 3.3Å; D86-A1059 WeakPolarHBondContact CA-O 3.39Å; D86-A1059 VanDerWaalsContact N-CA 3.26Å; D86-A1059 PolarHBondContact N-O 3.03Å |
| 87 | K | 61.4 | Low | 81.2 | Confident | 119 Ų | 119 | 46.4 Ų | 46.4 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -155.1 | 121 | -177.9 | -53 | 177.9 | -173.5 | 174 | 0 | 111.4 | V89 A1059 P1062 | K87-V89 WeakPolarHBondContact O-CG2 3.22Å; K87-V89 PolarHBondContact O-N 2.94Å; K87-V89 VanDerWaalsContact O-N 3.17Å; K87-A1059 VanDerWaalsContact C-CB 3.46Å; K87-A1059 CarbonylContact C-O 3.5Å; K87-A1059 VanDerWaalsContact CA-O 3.3Å; K87-A1059 WeakPolarHBondContact CA-O 3.39Å; K87-A1059 WeakPolarHBondContact CB-O 3.36Å; K87-A1059 PolarHBondContact N-O 2.83Å; K87-A1059 CarbonylContact O-C 3.54Å; K87-A1059 WeakPolarHBondContact O-CB 3.46Å; K87-P1062 HydrophobicContact CB-CG 4.39Å; K87-P1062 WeakPolarHBondContact O-CD 3.28Å |
| 88 | R | 75.4 | Confident | 81.3 | Confident | 108 Ų | 108 | 42.6 Ų | 42.6 | 41% | 0.408 | 21% | 0.21 | S | C | . | . | trans | -45.8 | 108.2 | -177 | -71 | -157.6 | 173.8 | -163.9 | 4.2 | 115.2 | L41 G44 L81 E91 P1062 | L41-R88 VanDerWaalsContact CD1-NH1 3.3Å; G44-R88 PolarHBondContact O-NH1 3.15Å; G44-R88 PolarHBondContact O-NH2 3.26Å; L81-R88 HydrophobicContact CD1-CB 3.66Å; L81-R88 HydrophobicContact CD1-CG 3.94Å; L81-R88 HydrophobicContact CD2-CB 4.37Å; L81-R88 HydrophobicContact CD2-CG 3.76Å; L81-R88 HydrophobicContact CG-CG 4.48Å; R88-E91 IonicContact CZ-OE2 3.46Å; R88-E91 IonicContact NH1-OE1 2.66Å; R88-E91 IonicContact NH1-OE2 3.33Å; R88-E91 PolarHBondContact NH1-OE2 2.87Å; R88-P1062 WeakPolarHBondContact O-CB 3.3Å; R88-P1062 VanDerWaalsContact O-CD 3.28Å; R88-P1062 WeakPolarHBondContact O-CD 3.35Å; R88-P1062 WeakPolarHBondContact O-CG 3.29Å | ||
| 89 | V | 74.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -81.2 | -54.8 | -165 | -177.9 | 0 | 0 | 0 | 0 | 115.4 | A11 V82 K87 V1060 P1062 | A11-V89 HydrophobicContact CB-CG1 3.66Å; V82-V89 HydrophobicContact CB-CB 4.16Å; V82-V89 HydrophobicContact CG1-CB 4.13Å; V82-V89 HydrophobicContact CG1-CG1 4.32Å; V82-V89 WeakPolarHBondContact O-CB 3.18Å; V82-V89 WeakPolarHBondContact O-CG2 3.36Å; V82-V89 PolarHBondContact O-N 3.41Å; K87-V89 WeakPolarHBondContact O-CG2 3.22Å; K87-V89 PolarHBondContact O-N 2.94Å; K87-V89 VanDerWaalsContact O-N 3.17Å; V89-V1060 WeakPolarHBondContact CG2-O 3.41Å; V89-P1062 VanDerWaalsContact O-CA 3.31Å; V89-P1062 WeakPolarHBondContact O-CA 3.33Å; V89-P1062 WeakPolarHBondContact O-CB 3.44Å | ||
| 90 | A | 79.5 | Confident | 81.2 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 136.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | F13 L81 V82 | F13-A90 HydrophobicContact CD2-CB 4.46Å; F13-A90 HydrophobicContact CE2-CB 3.72Å; F13-A90 HydrophobicContact CZ-CB 4.28Å; F13-A90 WeakPolarHBondContact CZ-O 3.34Å; L81-A90 CarbonylContact C-O 3.52Å; L81-A90 WeakPolarHBondContact CA-O 3.43Å; V82-A90 HydrophobicContact CB-CB 4.24Å; V82-A90 HydrophobicContact CG2-CB 4.36Å; V82-A90 PolarHBondContact N-O 3.11Å |
| 91 | E | 86.1 | Confident | 80.9 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.7 | -178.5 | -163.8 | 166.1 | 152.6 | 0 | 0 | 108.9 | L41 S79 C80 L81 R88 T93 | L41-E91 HydrophobicContact CD1-CG 4.49Å; L41-E91 WeakPolarHBondContact CD1-OE1 3.44Å; S79-E91 WeakPolarHBondContact CB-OE1 3.03Å; S79-E91 PolarHBondContact OG-OE1 3.33Å; C80-E91 CarbonylContact O-C 3.46Å; C80-E91 WeakPolarHBondContact O-CA 3.29Å; L81-E91 HydrophobicContact CD1-CB 4.18Å; L81-E91 HydrophobicContact CD1-CG 4.46Å; R88-E91 IonicContact CZ-OE2 3.46Å; R88-E91 IonicContact NH1-OE1 2.66Å; R88-E91 IonicContact NH1-OE2 3.33Å; R88-E91 PolarHBondContact NH1-OE2 2.87Å; E91-T93 HydrophobicContact CG-CG2 4.45Å |
| 92 | A | 86.4 | Confident | 80.8 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | F13 K16 P17 S79 C80 | F13-A92 HydrophobicContact CD1-CB 4.39Å; F13-A92 HydrophobicContact CD2-CB 3.86Å; F13-A92 HydrophobicContact CE1-CB 4.14Å; F13-A92 HydrophobicContact CE2-CB 3.56Å; F13-A92 HydrophobicContact CG-CB 4.25Å; F13-A92 HydrophobicContact CZ-CB 3.7Å; K16-A92 HydrophobicContact CB-CB 4.22Å; K16-A92 HydrophobicContact CD-CB 4.09Å; K16-A92 HydrophobicContact CG-CB 3.92Å; P17-A92 HydrophobicContact CG-CB 4.32Å; P17-A92 VanDerWaalsContact CG-O 3.25Å; P17-A92 WeakPolarHBondContact CG-O 3.39Å; S79-A92 CarbonylContact C-O 3.57Å; S79-A92 WeakPolarHBondContact CA-O 3.4Å; C80-A92 PolarHBondContact N-O 3.3Å; C80-A92 PolarHBondContact O-N 2.95Å |
| 93 | T | 89.9 | Confident | 80.9 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 152.6 | -176.7 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | E77 I78 E91 | E77-T93 HydrophobicContact CG-CG2 3.84Å; E77-T93 WeakPolarHBondContact OE1-CB 3.3Å; E77-T93 WeakPolarHBondContact OE1-CG2 3.26Å; E77-T93 PolarHBondContact OE1-OG1 2.82Å; I78-T93 CarbonylContact O-C 3.52Å; I78-T93 WeakPolarHBondContact O-CA 3.26Å; E91-T93 HydrophobicContact CG-CG2 4.45Å |
| 94 | A | 90.7 | Very high | 81.5 | Confident | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P17 E18 D19 F30 I78 | P17-A94 HydrophobicContact CB-CB 3.83Å; P17-A94 HydrophobicContact CG-CB 4.28Å; E18-A94 VanDerWaalsContact C-CB 3.42Å; E18-A94 WeakPolarHBondContact O-CB 3.39Å; D19-A94 WeakPolarHBondContact OD1-CA 3.41Å; F30-A94 HydrophobicContact CD1-CB 3.95Å; F30-A94 HydrophobicContact CE1-CB 3.85Å; I78-A94 PolarHBondContact N-O 3.35Å; I78-A94 PolarHBondContact O-N 3.28Å |
| 95 | K | 91.1 | Very high | 82.3 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135 | 178.6 | -66.4 | 175.6 | -179 | 173.2 | 0 | 112.2 | D19 V20 | D19-K95 WeakPolarHBondContact CA-O 3.47Å; D19-K95 PolarHBondContact OD1-N 3.09Å; V20-K95 PolarHBondContact N-O 3.27Å |
| 96 | L | 93.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 104.9 | 165.4 | -178.6 | 53.4 | 0 | 0 | 0 | 109.2 | V22 A28 F30 V66 V69 D73 N74 N75 S76 I78 V98 | V22-L96 HydrophobicContact CG2-CD1 3.79Å; A28-L96 HydrophobicContact CB-CD1 3.63Å; F30-L96 HydrophobicContact CE2-CB 4.36Å; F30-L96 HydrophobicContact CE2-CD1 4.24Å; F30-L96 HydrophobicContact CE2-CD2 4.47Å; F30-L96 HydrophobicContact CZ-CB 3.82Å; F30-L96 HydrophobicContact CZ-CD1 4.07Å; F30-L96 HydrophobicContact CZ-CG 4.4Å; V66-L96 HydrophobicContact CG2-CD2 4.17Å; V69-L96 HydrophobicContact CG1-CD2 4.39Å; D73-L96 HydrophobicContact CB-CD2 3.87Å; N74-L96 CarbonylContact C-O 3.55Å; N75-L96 WeakPolarHBondContact CA-O 3.39Å; N75-L96 PolarHBondContact N-O 3.5Å; S76-L96 PolarHBondContact N-O 2.7Å; S76-L96 PolarHBondContact O-N 3.46Å; I78-L96 HydrophobicContact CG1-CB 4.29Å; L96-V98 HydrophobicContact CD1-CG2 4.16Å; L96-V98 HydrophobicContact CD2-CG2 4.39Å; L96-V98 HydrophobicContact CG-CG2 3.84Å |
| 97 | V | 92.2 | Very high | 84.6 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.3 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V20 V21 V22 N74 L99 | V20-V97 PolarHBondContact O-N 2.99Å; V21-V97 CarbonylContact C-O 3.53Å; V21-V97 WeakPolarHBondContact CA-O 3.32Å; V21-V97 HydrophobicContact CB-CB 4.41Å; V21-V97 HydrophobicContact CG1-CB 4.26Å; V21-V97 HydrophobicContact CG1-CG1 4.19Å; V21-V97 HydrophobicContact CG2-CB 4.13Å; V22-V97 PolarHBondContact N-O 2.83Å; N74-V97 WeakPolarHBondContact OD1-CA 3.25Å; V97-L99 HydrophobicContact CG1-CD2 4.12Å; V97-L99 HydrophobicContact CG1-CG 4.31Å |
| 98 | V | 92 | Very high | 86 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.9 | -177.9 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | V22 V24 V69 D73 N74 L96 | V22-V98 HydrophobicContact CG2-CG1 4.41Å; V22-V98 HydrophobicContact CG2-CG2 4.1Å; V22-V98 WeakPolarHBondContact O-CA 3.42Å; V24-V98 HydrophobicContact CB-CG1 4.26Å; V24-V98 HydrophobicContact CG2-CG1 3.6Å; V69-V98 HydrophobicContact CG1-CB 4.26Å; V69-V98 HydrophobicContact CG1-CG1 3.74Å; V69-V98 HydrophobicContact CG1-CG2 3.42Å; V69-V98 VanDerWaalsContact CG1-CG2 3.42Å; D73-V98 HydrophobicContact CB-CG2 4.49Å; N74-V98 HydrophobicContact CB-CB 3.91Å; N74-V98 HydrophobicContact CB-CG2 4.28Å; N74-V98 VanDerWaalsContact CG-O 3.24Å; N74-V98 PolarHBondContact ND2-O 2.61Å; N74-V98 VanDerWaalsContact ND2-O 3.11Å; N74-V98 PolarHBondContact OD1-N 2.78Å; L96-V98 HydrophobicContact CD1-CG2 4.16Å; L96-V98 HydrophobicContact CD2-CG2 4.39Å; L96-V98 HydrophobicContact CG-CG2 3.84Å |
| 99 | L | 90.1 | Very high | 86.8 | Confident | 33 Ų | 33 | 56 Ų | 56 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 148.9 | -176.8 | -60 | 179.5 | 0 | 0 | 0 | 110.4 | V21 V22 E23 V24 V97 Q103 L104 | V21-L99 HydrophobicContact CG1-CD1 3.58Å; V21-L99 HydrophobicContact CG1-CG 4.01Å; V22-L99 PolarHBondContact O-N 3.43Å; E23-L99 CarbonylContact C-O 3.54Å; E23-L99 WeakPolarHBondContact CA-O 3.39Å; V24-L99 PolarHBondContact N-O 3.28Å; V97-L99 HydrophobicContact CG1-CD2 4.12Å; V97-L99 HydrophobicContact CG1-CG 4.31Å; L99-Q103 HydrophobicContact CB-CB 4.17Å; L99-Q103 HydrophobicContact CD2-CB 4.46Å; L99-L104 HydrophobicContact CB-CD2 4Å; L99-L104 HydrophobicContact CD1-CD2 4.4Å |
| 100 | Q | 86.2 | Confident | 87.4 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | trans | -73.8 | 157.5 | 165.7 | -60 | -172.3 | 11 | 0 | 0 | 110.1 | V24 E71 S102 Q103 L104 | V24-Q100 HydrophobicContact CG2-CG 4.27Å; E71-Q100 PolarHBondContact OE1-NE2 3.34Å; Q100-S102 PolarHBondContact O-N 3.28Å; Q100-S102 VanDerWaalsContact O-N 3.12Å; Q100-Q103 HydrophobicContact CB-CG 4.45Å; Q100-Q103 VanDerWaalsContact N-OE1 3.12Å; Q100-Q103 WeakPolarHBondContact O-CA 3.43Å; Q100-Q103 WeakPolarHBondContact O-CB 3.28Å; Q100-Q103 PolarHBondContact O-N 3.4Å; Q100-L104 PolarHBondContact O-N 3Å | ||
| 101 | E | 81.9 | Confident | 87.9 | Confident | 137 Ų | 137 | 62.5 Ų | 62.5 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -51.3 | -39.4 | 179.3 | -168.5 | -175.3 | -168.2 | 0 | 0 | 112.2 | Q103 L104 | E101-Q103 PolarHBondContact O-N 3.42Å; E101-L104 HydrophobicContact CG-CD1 4.39Å; E101-L104 PolarHBondContact O-N 3.29Å |
| 102 | S | 83.7 | Confident | 88 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 72% | 0.72 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -66.7 | -10.6 | 176.9 | 56 | 0 | 0 | 0 | 0 | 115.5 | Q100 | Q100-S102 PolarHBondContact O-N 3.28Å; Q100-S102 VanDerWaalsContact O-N 3.12Å |
| 103 | Q | 85.1 | Confident | 88.1 | Confident | 110 Ų | 110 | 65.5 Ų | 65.5 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -112.5 | -5 | -178.3 | -63.3 | 173.5 | -32.9 | 0 | 0 | 112.8 | L99 Q100 E101 | L99-Q103 HydrophobicContact CB-CB 4.17Å; L99-Q103 HydrophobicContact CD2-CB 4.46Å; Q100-Q103 HydrophobicContact CB-CG 4.45Å; Q100-Q103 VanDerWaalsContact N-OE1 3.12Å; Q100-Q103 WeakPolarHBondContact O-CA 3.43Å; Q100-Q103 WeakPolarHBondContact O-CB 3.28Å; Q100-Q103 PolarHBondContact O-N 3.4Å; E101-Q103 PolarHBondContact O-N 3.42Å |
| 104 | L | 83.7 | Confident | 88.1 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 134.4 | 179.1 | -63.7 | 175.5 | 0 | 0 | 0 | 110.6 | E23 L99 Q100 E101 F108 | E23-L104 HydrophobicContact CB-CD1 4.45Å; E23-L104 HydrophobicContact CB-CD2 4.37Å; E23-L104 HydrophobicContact CG-CD1 4.19Å; L99-L104 HydrophobicContact CB-CD2 4Å; L99-L104 HydrophobicContact CD1-CD2 4.4Å; Q100-L104 PolarHBondContact O-N 3Å; E101-L104 HydrophobicContact CG-CD1 4.39Å; E101-L104 PolarHBondContact O-N 3.29Å; L104-F108 HydrophobicContact CB-CB 4.25Å; L104-F108 HydrophobicContact CB-CG 4.3Å; L104-F108 HydrophobicContact CD1-CD1 4.15Å; L104-F108 HydrophobicContact CD1-CE1 4.46Å; L104-F108 HydrophobicContact CD1-CG 4.45Å; L104-F108 HydrophobicContact CD2-CD1 4.27Å; L104-F108 HydrophobicContact CD2-CD2 3.84Å; L104-F108 HydrophobicContact CD2-CE1 4.25Å; L104-F108 HydrophobicContact CD2-CE2 3.79Å; L104-F108 HydrophobicContact CD2-CG 4.09Å; L104-F108 HydrophobicContact CD2-CZ 4.03Å |
| 105 | P | 84.5 | Confident | 88 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 147.1 | 175.3 | -24.4 | 33.8 | 0 | 0 | 0 | 112.2 | G107 F108 H185 | P105-G107 PolarHBondContact O-N 3.44Å; P105-G107 VanDerWaalsContact O-N 3.17Å; P105-F108 WeakPolarHBondContact O-CB 3.13Å; P105-F108 PolarHBondContact O-N 3.04Å; P105-H185 HydrophobicContact CB-CB 3.95Å; P105-H185 HydrophobicContact CG-CB 4.04Å |
| 106 | R | 84.8 | Confident | 87.7 | Confident | 244 Ų | 244 | 68.3 Ų | 68.3 | 92% | 0.921 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 123.9 | 165.9 | -73.6 | -173 | 175.1 | -164.4 | -0.7 | 108.2 | H185 | R106-H185 PolarHBondContact O-CD2 3.02Å; R106-H185 VanDerWaalsContact O-CD2 3.32Å |
| 107 | G | 84.4 | Confident | 87.4 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | 0.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P105 G134 D135 N183 | P105-G107 PolarHBondContact O-N 3.44Å; P105-G107 VanDerWaalsContact O-N 3.17Å; G107-G134 WeakPolarHBondContact O-CA 3.32Å; G107-D135 CarbonylContact C-O 3.59Å; G107-D135 WeakPolarHBondContact CA-O 3.31Å; G107-D135 PolarHBondContact O-N 2.8Å; G107-D135 VanDerWaalsContact O-O 3.12Å; G107-N183 PolarHBondContact O-ND2 2.8Å |
| 108 | F | 90.6 | Very high | 87 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 12% | 0.118 | 37% | 0.37 | C | S | . | . | trans | -50.2 | 142.4 | 169.6 | -171.5 | -87.6 | 0 | 0 | 0 | 112.1 | V21 L104 P105 H185 V187 A188 | V21-F108 HydrophobicContact CG1-CE2 4.47Å; L104-F108 HydrophobicContact CB-CB 4.25Å; L104-F108 HydrophobicContact CB-CG 4.3Å; L104-F108 HydrophobicContact CD1-CD1 4.15Å; L104-F108 HydrophobicContact CD1-CE1 4.46Å; L104-F108 HydrophobicContact CD1-CG 4.45Å; L104-F108 HydrophobicContact CD2-CD1 4.27Å; L104-F108 HydrophobicContact CD2-CD2 3.84Å; L104-F108 HydrophobicContact CD2-CE1 4.25Å; L104-F108 HydrophobicContact CD2-CE2 3.79Å; L104-F108 HydrophobicContact CD2-CG 4.09Å; L104-F108 HydrophobicContact CD2-CZ 4.03Å; P105-F108 WeakPolarHBondContact O-CB 3.13Å; P105-F108 PolarHBondContact O-N 3.04Å; F108-H185 HydrophobicContact CD2-CB 4.41Å; F108-H185 VanDerWaalsContact CD2-O 3.22Å; F108-H185 WeakPolarHBondContact CD2-O 3.21Å; F108-H185 WeakPolarHBondContact CE2-O 3.45Å; F108-V187 WeakPolarHBondContact CZ-O 3.44Å; F108-A188 HydrophobicContact CE1-CB 4.42Å | ||
| 109 | P | 91.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.019 | 38% | 0.383 | C | S | . | . | trans | -64.2 | 139.2 | -174.5 | -21.8 | 34.3 | 0 | 0 | 0 | 113.1 | S133 P138 A181 N183 G186 A188 | P109-S133 CarbonylContact C-O 3.33Å; P109-S133 WeakPolarHBondContact CA-O 3.22Å; P109-P138 HydrophobicContact CB-CB 4.21Å; P109-P138 HydrophobicContact CB-CG 3.78Å; P109-P138 HydrophobicContact CG-CB 4.37Å; P109-P138 HydrophobicContact CG-CG 4.02Å; P109-A181 HydrophobicContact CB-CB 3.96Å; P109-N183 VanDerWaalsContact CD-OD1 3.3Å; P109-N183 WeakPolarHBondContact CD-OD1 3.32Å; P109-N183 HydrophobicContact CG-CB 4.37Å; P109-N183 WeakPolarHBondContact CG-OD1 3.4Å; P109-G186 WeakPolarHBondContact CG-O 3.2Å; P109-A188 HydrophobicContact CB-CB 4.13Å; P109-A188 VanDerWaalsContact O-CB 3.3Å; P109-A188 WeakPolarHBondContact O-CB 3.39Å | ||
| 110 | K | 88.7 | Confident | 85.7 | Confident | 132 Ų | 132 | 76.9 Ų | 76.9 | 57% | 0.574 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.6 | 177.4 | -169.6 | 158.3 | -173.6 | 155.3 | 0 | 111.2 | V132 S133 | K110-V132 WeakPolarHBondContact O-CA 3.37Å; K110-S133 PolarHBondContact N-O 3.31Å; K110-S133 PolarHBondContact O-N 2.74Å |
| 111 | I | 89.8 | Confident | 84.8 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 16% | 0.159 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.4 | 169.6 | -50.3 | -56.7 | 0 | 0 | 0 | 107.6 | E113 E114 V132 A181 | I111-E113 WeakPolarHBondContact CG2-O 3.33Å; I111-E114 HydrophobicContact CG2-CG 4.35Å; I111-V132 HydrophobicContact CD1-CG2 3.95Å; I111-A181 HydrophobicContact CD1-CB 3.9Å |
| 112 | V | 88.4 | Confident | 84.2 | Confident | 87 Ų | 87 | 78 Ų | 78 | 53% | 0.527 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -30.7 | -178.3 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | R131 S133 | V112-R131 HydrophobicContact CB-CB 4.29Å; V112-R131 HydrophobicContact CB-CG 4.34Å; V112-R131 PolarHBondContact N-O 3.24Å; V112-S133 WeakPolarHBondContact CG2-OG 3.49Å |
| 113 | E | 88.2 | Confident | 83.5 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 119.6 | 178 | -165.9 | 175.4 | 167.7 | 0 | 0 | 108.4 | I111 C130 R131 | I111-E113 WeakPolarHBondContact CG2-O 3.33Å; E113-C130 WeakPolarHBondContact O-CA 3.47Å; E113-R131 HydrophobicContact CB-CB 3.38Å; E113-R131 PolarHBondContact N-O 2.82Å; E113-R131 PolarHBondContact O-N 3.02Å; E113-R131 VanDerWaalsContact O-N 3.15Å; E113-R131 IonicContact OE2-CZ 3.87Å; E113-R131 VanDerWaalsContact OE2-CZ 3.26Å; E113-R131 IonicContact OE2-NE 3.11Å; E113-R131 PolarHBondContact OE2-NE 3.3Å; E113-R131 IonicContact OE2-NH2 2.9Å; E113-R131 PolarHBondContact OE2-NH2 3.1Å |
| 114 | E | 89.5 | Confident | 83 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | trans | -87.9 | 141.9 | -175.3 | -68.4 | -94.1 | -132.1 | 0 | 0 | 111.2 | I111 S190 R191 | I111-E114 HydrophobicContact CG2-CG 4.35Å; E114-S190 VanDerWaalsContact OE2-CA 3.25Å; E114-S190 WeakPolarHBondContact OE2-CA 2.92Å; E114-S190 WeakPolarHBondContact OE2-CB 3.29Å; E114-R191 WeakPolarHBondContact OE1-CD 3.44Å; E114-R191 WeakPolarHBondContact OE1-CG 3.24Å; E114-R191 IonicContact OE1-NE 2.73Å; E114-R191 PolarHBondContact OE1-NE 3.28Å; E114-R191 PolarHBondContact OE2-N 2.94Å | ||
| 115 | P | 89.4 | Confident | 83 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 7% | 0.065 | 35% | 0.35 | C | S | . | . | trans | -68.3 | 142 | 175.9 | 29.8 | -34.2 | 0 | 0 | 0 | 111.5 | A129 W142 S190 R191 A193 | P115-A129 WeakPolarHBondContact CA-O 3.09Å; P115-A129 WeakPolarHBondContact CB-O 3.48Å; P115-W142 HydrophobicContact CB-CH2 3.93Å; P115-W142 HydrophobicContact CB-CZ3 4.26Å; P115-W142 HydrophobicContact CG-CH2 4.42Å; P115-S190 WeakPolarHBondContact CG-OG 3.45Å; P115-R191 VanDerWaalsContact CG-O 3.25Å; P115-R191 WeakPolarHBondContact CG-O 3.43Å; P115-A193 HydrophobicContact CB-CB 3.97Å; P115-A193 HydrophobicContact CG-CB 4.37Å | ||
| 116 | K | 84.2 | Confident | 83.2 | Confident | 164 Ų | 164 | 68.3 Ų | 68.3 | 71% | 0.713 | 34% | 0.335 | S | S | * | . | trans | -113.5 | 155.5 | -179.3 | -62.3 | 177.1 | -176.3 | 174.6 | 0 | 110.3 | R118 A193 | K116-R118 PolarHBondContact O-N 2.67Å; K116-A193 WeakPolarHBondContact O-CB 3.37Å | ||
| 117 | L | 87.2 | Confident | 83.4 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 59% | 0.586 | 31% | 0.309 | S | S | * | . | trans | -52.3 | 134.3 | 170.6 | -177.5 | 159.8 | 0 | 0 | 0 | 109.5 | H194 Y196 | L117-H194 WeakPolarHBondContact CA-O 3.25Å; L117-Y196 HydrophobicContact CD1-CE2 4.05Å; L117-Y196 HydrophobicContact CD2-CD2 4.24Å; L117-Y196 HydrophobicContact CD2-CE2 4.3Å; L117-Y196 HydrophobicContact CG-CD2 4.42Å; L117-Y196 HydrophobicContact CG-CE2 4.17Å | ||
| 118 | R | 82.3 | Confident | 83.8 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.6 | -175 | -140.4 | -64.6 | -165.5 | 148.3 | 12.2 | 109.7 | K116 S125 L128 H194 L195 Y196 | K116-R118 PolarHBondContact O-N 2.67Å; R118-S125 PolarHBondContact NH1-O 2.88Å; R118-S125 PolarHBondContact NH2-O 2.89Å; R118-L128 HydrophobicContact CB-CD2 3.63Å; R118-L128 HydrophobicContact CG-CD2 4.32Å; R118-H194 PolarHBondContact N-O 3.38Å; R118-L195 HydrophobicContact CB-CD1 4.31Å; R118-L195 CarbonylContact O-C 3.52Å; R118-L195 VanDerWaalsContact O-CA 3.32Å; R118-L195 WeakPolarHBondContact O-CA 3.48Å; R118-Y196 PolarHBondContact O-N 2.94Å |
| 119 | T | 78.8 | Confident | 83.6 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 149.9 | 172.4 | -50.3 | 0 | 0 | 0 | 0 | 109.3 | Y196 R198 | T119-Y196 WeakPolarHBondContact CA-O 3.46Å; T119-R198 HydrophobicContact CG2-CG 3.75Å |
| 120 | V | 77.1 | Confident | 83.5 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.9 | -177.2 | 67.7 | 0 | 0 | 0 | 0 | 109.6 | S125 A126 T169 L195 Y196 V197 R198 | V120-S125 WeakPolarHBondContact CG2-O 3.21Å; V120-A126 HydrophobicContact CB-CB 3.97Å; V120-A126 HydrophobicContact CG1-CB 3.98Å; V120-A126 HydrophobicContact CG2-CB 4.08Å; V120-T169 VanDerWaalsContact CG1-CB 3.45Å; V120-T169 HydrophobicContact CG1-CG2 3.61Å; V120-T169 WeakPolarHBondContact CG1-OG1 3.37Å; V120-L195 HydrophobicContact CG1-CD1 3.98Å; V120-Y196 PolarHBondContact N-O 3.37Å; V120-V197 HydrophobicContact CG1-CG1 4.48Å; V120-V197 HydrophobicContact CG1-CG2 4.4Å; V120-V197 CarbonylContact O-C 3.57Å; V120-V197 WeakPolarHBondContact O-CA 3.4Å; V120-R198 PolarHBondContact O-N 2.94Å |
| 121 | E | 67.5 | Low | 83.5 | Confident | 79 Ų | 79 | 57.9 Ų | 57.9 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 151 | 169.6 | -62.9 | -167.6 | 162.1 | 0 | 0 | 111.3 | G123 G124 R198 | E121-G123 PolarHBondContact O-N 2.86Å; E121-G124 WeakPolarHBondContact O-CA 3.27Å; E121-G124 PolarHBondContact O-N 2.76Å; E121-R198 CarbonylContact C-O 3.58Å; E121-R198 VanDerWaalsContact CA-O 3.28Å; E121-R198 WeakPolarHBondContact CA-O 3.38Å; E121-R198 HydrophobicContact CG-CB 4.32Å |
| 122 | R | 68.4 | Low | 83.4 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 58% | 0.581 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 119.2 | 178.4 | 172.5 | 166.1 | 162.3 | 178.7 | -4.7 | 109.8 | T169 E171 V197 R198 | R122-T169 WeakPolarHBondContact CA-O 3.24Å; R122-E171 WeakPolarHBondContact CD-OE1 3.38Å; R122-E171 IonicContact CZ-OE1 3.84Å; R122-E171 IonicContact NE-OE1 3.96Å; R122-E171 IonicContact NH1-OE1 3.82Å; R122-E171 PolarHBondContact NH1-OE1 3.29Å; R122-E171 IonicContact NH1-OE2 2.66Å; R122-V197 HydrophobicContact CB-CG1 4.1Å; R122-R198 PolarHBondContact N-O 3.02Å |
| 123 | G | 69.7 | Low | 83.5 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -3.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E121 Q168 T169 | E121-G123 PolarHBondContact O-N 2.86Å; G123-Q168 VanDerWaalsContact O-CG 3.24Å; G123-Q168 WeakPolarHBondContact O-CG 3.31Å; G123-T169 PolarHBondContact N-O 3.11Å |
| 124 | G | 75.3 | Confident | 83.4 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -76.2 | 176.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E121 Q168 T169 | E121-G124 WeakPolarHBondContact O-CA 3.27Å; E121-G124 PolarHBondContact O-N 2.76Å; G124-Q168 CarbonylContact O-C 3.54Å; G124-Q168 WeakPolarHBondContact O-CA 3.21Å; G124-Q168 PolarHBondContact O-N 2.97Å; G124-T169 PolarHBondContact O-N 3.29Å; G124-T169 PolarHBondContact O-OG1 2.72Å |
| 125 | S | 83.5 | Confident | 83.2 | Confident | 38 Ų | 38 | 57 Ų | 57 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | trans | -105 | 134.6 | 174.4 | -164.9 | 0 | 0 | 0 | 0 | 111.5 | R118 V120 V165 I166 E1939 | R118-S125 PolarHBondContact NH1-O 2.88Å; R118-S125 PolarHBondContact NH2-O 2.89Å; V120-S125 WeakPolarHBondContact CG2-O 3.21Å; S125-V165 WeakPolarHBondContact OG-CG1 3.3Å; S125-I166 WeakPolarHBondContact CA-O 3.43Å; S125-E1939 PolarHBondContact OG-OE1 2.8Å | ||
| 126 | A | 87.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V120 V165 I166 L195 | V120-A126 HydrophobicContact CB-CB 3.97Å; V120-A126 HydrophobicContact CG1-CB 3.98Å; V120-A126 HydrophobicContact CG2-CB 4.08Å; A126-V165 CarbonylContact O-C 3.58Å; A126-V165 WeakPolarHBondContact O-CA 3.29Å; A126-I166 HydrophobicContact CB-CB 4.38Å; A126-I166 PolarHBondContact N-O 2.76Å; A126-I166 PolarHBondContact O-N 2.85Å; A126-L195 HydrophobicContact CB-CD1 3.63Å; A126-L195 HydrophobicContact CB-CD2 4.16Å |
| 127 | T | 90.4 | Very high | 83.2 | Confident | 63 Ų | 63 | 59 Ų | 59 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.1 | 174.8 | -50.5 | 0 | 0 | 0 | 0 | 110.3 | L164 V165 | T127-L164 CarbonylContact C-O 3.59Å; T127-L164 WeakPolarHBondContact CA-O 3.31Å; T127-V165 HydrophobicContact CG2-CG2 4.14Å |
| 128 | L | 91.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108 | 168.6 | -62 | 177.1 | 0 | 0 | 0 | 108.4 | R118 C130 W142 S163 L164 Y177 | R118-L128 HydrophobicContact CB-CD2 3.63Å; R118-L128 HydrophobicContact CG-CD2 4.32Å; L128-C130 PolarHBondContact O-N 3.42Å; L128-W142 HydrophobicContact CB-CH2 3.56Å; L128-W142 HydrophobicContact CB-CZ2 4.43Å; L128-W142 HydrophobicContact CB-CZ3 3.86Å; L128-W142 HydrophobicContact CD1-CZ3 4.02Å; L128-W142 WeakPolarHBondContact O-CH2 3.38Å; L128-W142 WeakPolarHBondContact O-CZ2 3.29Å; L128-S163 CarbonylContact O-C 3.45Å; L128-S163 WeakPolarHBondContact O-CA 3.34Å; L128-S163 VanDerWaalsContact O-CB 3.27Å; L128-S163 WeakPolarHBondContact O-CB 3.42Å; L128-L164 HydrophobicContact CB-CB 4.49Å; L128-L164 HydrophobicContact CD1-CD2 4.47Å; L128-L164 PolarHBondContact N-O 2.86Å; L128-L164 PolarHBondContact O-N 2.92Å; L128-Y177 VanDerWaalsContact CD1-CB 3.43Å; L128-Y177 HydrophobicContact CD1-CD1 4.05Å; L128-Y177 HydrophobicContact CD1-CD2 3.79Å; L128-Y177 HydrophobicContact CD1-CG 3.49Å; L128-Y177 VanDerWaalsContact CD1-CG 3.49Å |
| 129 | A | 87 | Confident | 83.5 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 132.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P115 S163 | P115-A129 WeakPolarHBondContact CA-O 3.09Å; P115-A129 WeakPolarHBondContact CB-O 3.48Å; A129-S163 WeakPolarHBondContact CA-OG 3.47Å |
| 130 | C | 88.7 | Confident | 84 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 133.9 | 163.7 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | E113 L128 W142 I161 G162 S163 C179 | E113-C130 WeakPolarHBondContact O-CA 3.47Å; L128-C130 PolarHBondContact O-N 3.42Å; C130-W142 HydrophobicContact CB-CH2 4.01Å; C130-W142 HydrophobicContact CB-CZ2 3.37Å; C130-I161 CarbonylContact O-C 3.6Å; C130-G162 CarbonylContact O-C 3.5Å; C130-G162 WeakPolarHBondContact O-CA 3.46Å; C130-S163 PolarHBondContact N-OG 2.74Å; C130-S163 VanDerWaalsContact N-OG 3.1Å; C130-S163 PolarHBondContact O-N 2.87Å; C130-S163 PolarHBondContact O-OG 3.15Å; C130-C179 HydrophobicContact CB-CB 3.74Å; C130-C179 WeakPolarHBondContact CB-SG 3.45Å; C130-C179 WeakPolarHBondContact SG-CB 3.4Å; C130-C179 CovalentContact SG-SG 2.05Å; C130-C179 PolarHBondContact SG-SG 2.68Å |
| 131 | R | 89 | Confident | 84.6 | Confident | 118 Ų | 118 | 54.8 Ų | 54.8 | 45% | 0.445 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.3 | 173.5 | -166 | -172.4 | -54.3 | -140 | -0.3 | 109.2 | V112 E113 I161 | V112-R131 HydrophobicContact CB-CB 4.29Å; V112-R131 HydrophobicContact CB-CG 4.34Å; V112-R131 PolarHBondContact N-O 3.24Å; E113-R131 HydrophobicContact CB-CB 3.38Å; E113-R131 PolarHBondContact N-O 2.82Å; E113-R131 PolarHBondContact O-N 3.02Å; E113-R131 VanDerWaalsContact O-N 3.15Å; E113-R131 IonicContact OE2-CZ 3.87Å; E113-R131 VanDerWaalsContact OE2-CZ 3.26Å; E113-R131 IonicContact OE2-NE 3.11Å; E113-R131 PolarHBondContact OE2-NE 3.3Å; E113-R131 IonicContact OE2-NH2 2.9Å; E113-R131 PolarHBondContact OE2-NH2 3.1Å; R131-I161 WeakPolarHBondContact CA-O 3.33Å |
| 132 | V | 88.4 | Confident | 85.8 | Confident | 26 Ų | 26 | 51 Ų | 51 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.8 | -172.4 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | K110 I111 P138 I140 A181 | K110-V132 WeakPolarHBondContact O-CA 3.37Å; I111-V132 HydrophobicContact CD1-CG2 3.95Å; V132-P138 HydrophobicContact CG1-CB 3.87Å; V132-P138 HydrophobicContact CG1-CG 3.87Å; V132-I140 HydrophobicContact CB-CD1 3.88Å; V132-I140 HydrophobicContact CB-CG1 4.44Å; V132-I140 HydrophobicContact CG2-CD1 3.62Å; V132-I140 HydrophobicContact CG2-CG1 4.08Å; V132-A181 HydrophobicContact CB-CB 4.43Å; V132-A181 HydrophobicContact CG1-CB 3.43Å; V132-A181 VanDerWaalsContact CG1-CB 3.43Å; V132-A181 HydrophobicContact CG2-CB 4.08Å |
| 133 | S | 89.1 | Confident | 86.9 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 164.5 | 166.9 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | P109 K110 V112 | P109-S133 CarbonylContact C-O 3.33Å; P109-S133 WeakPolarHBondContact CA-O 3.22Å; K110-S133 PolarHBondContact N-O 3.31Å; K110-S133 PolarHBondContact O-N 2.74Å; V112-S133 WeakPolarHBondContact CG2-OG 3.49Å |
| 134 | G | 86.1 | Confident | 87.8 | Confident | 26 Ų | 26 | 44 Ų | 44 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | trans | 153.8 | 159 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G107 P136 | G107-G134 WeakPolarHBondContact O-CA 3.32Å; G134-P136 CarbonylContact C-O 3.58Å | ||
| 135 | D | 85.8 | Confident | 88.3 | Confident | 119 Ų | 119 | 46.6 Ų | 46.6 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -141.7 | 118.3 | 179.8 | -166.5 | 21.7 | 0 | 0 | 0 | 108.3 | G107 H185 | G107-D135 CarbonylContact C-O 3.59Å; G107-D135 WeakPolarHBondContact CA-O 3.31Å; G107-D135 PolarHBondContact O-N 2.8Å; G107-D135 VanDerWaalsContact O-O 3.12Å; D135-H185 PolarHBondContact O-CD2 2.75Å; D135-H185 VanDerWaalsContact O-CD2 3.32Å |
| 136 | P | 88.5 | Confident | 88.4 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 34% | 0.338 | 26% | 0.26 | S | S | . | . | S | Bend | cis | -56.7 | 154 | -4.8 | -24.3 | 35.3 | 0 | 0 | 0 | 113.6 | G134 P138 N183 E184 | G134-P136 CarbonylContact C-O 3.58Å; P136-P138 WeakPolarHBondContact O-CD 3.31Å; P136-N183 WeakPolarHBondContact O-CB 3.4Å; P136-N183 PolarHBondContact O-ND2 2.78Å; P136-E184 HydrophobicContact CG-CG 3.95Å |
| 137 | K | 85.9 | Confident | 88.3 | Confident | 164 Ų | 164 | 49.5 Ų | 49.5 | 71% | 0.713 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 122.1 | -176.1 | -177.6 | 179.3 | 178.3 | 179.4 | 0 | 111.3 | ||
| 138 | P | 87.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 139.7 | -177.7 | -24.8 | 35.3 | 0 | 0 | 0 | 114 | P109 V132 P136 A181 R182 N183 | P109-P138 HydrophobicContact CB-CB 4.21Å; P109-P138 HydrophobicContact CB-CG 3.78Å; P109-P138 HydrophobicContact CG-CB 4.37Å; P109-P138 HydrophobicContact CG-CG 4.02Å; V132-P138 HydrophobicContact CG1-CB 3.87Å; V132-P138 HydrophobicContact CG1-CG 3.87Å; P136-P138 WeakPolarHBondContact O-CD 3.31Å; P138-A181 HydrophobicContact CB-CB 4.19Å; P138-R182 CarbonylContact C-O 3.49Å; P138-R182 WeakPolarHBondContact CA-O 3.48Å; P138-N183 HydrophobicContact CG-CB 4.42Å |
| 139 | S | 87.8 | Confident | 87.9 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 150.8 | 158.5 | 64.7 | 0 | 0 | 0 | 0 | 110.3 | A181 R182 | S139-A181 CarbonylContact O-C 3.56Å; S139-A181 WeakPolarHBondContact O-CA 3.16Å; S139-R182 PolarHBondContact N-O 3.07Å; S139-R182 PolarHBondContact O-N 2.8Å; S139-R182 PolarHBondContact OG-O 2.84Å |
| 140 | I | 90 | Very high | 87.6 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.4 | -174.6 | -58.4 | 175.7 | 0 | 0 | 0 | 109.5 | V132 G162 M180 | V132-I140 HydrophobicContact CB-CD1 3.88Å; V132-I140 HydrophobicContact CB-CG1 4.44Å; V132-I140 HydrophobicContact CG2-CD1 3.62Å; V132-I140 HydrophobicContact CG2-CG1 4.08Å; I140-G162 VanDerWaalsContact CD1-CA 3.41Å; I140-M180 WeakPolarHBondContact CA-O 3.31Å |
| 141 | L | 89.3 | Confident | 87.2 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.4 | 173.9 | 177.5 | 64.5 | 0 | 0 | 0 | 108.8 | L31 L143 P148 M180 | L31-L141 HydrophobicContact CD1-CD2 3.67Å; L141-L143 HydrophobicContact CD2-CD2 3.87Å; L141-L143 HydrophobicContact CG-CD2 4.05Å; L141-P148 HydrophobicContact CD1-CB 4.32Å; L141-P148 HydrophobicContact CD2-CG 4.44Å; L141-M180 HydrophobicContact CB-CB 4.4Å; L141-M180 HydrophobicContact CB-CE 4.32Å; L141-M180 HydrophobicContact CD2-CE 3.91Å; L141-M180 HydrophobicContact CD2-SD 4.46Å; L141-M180 PolarHBondContact N-O 2.9Å; L141-M180 WeakPolarHBondContact O-CB 3.42Å; L141-M180 PolarHBondContact O-N 2.75Å |
| 142 | W | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142 | 169.6 | -80.1 | 78.6 | 0 | 0 | 0 | 111 | P115 L128 C130 V149 G162 L164 E178 C179 | P115-W142 HydrophobicContact CB-CH2 3.93Å; P115-W142 HydrophobicContact CB-CZ3 4.26Å; P115-W142 HydrophobicContact CG-CH2 4.42Å; L128-W142 HydrophobicContact CB-CH2 3.56Å; L128-W142 HydrophobicContact CB-CZ2 4.43Å; L128-W142 HydrophobicContact CB-CZ3 3.86Å; L128-W142 HydrophobicContact CD1-CZ3 4.02Å; L128-W142 WeakPolarHBondContact O-CH2 3.38Å; L128-W142 WeakPolarHBondContact O-CZ2 3.29Å; C130-W142 HydrophobicContact CB-CH2 4.01Å; C130-W142 HydrophobicContact CB-CZ2 3.37Å; W142-V149 HydrophobicContact CB-CB 4.1Å; W142-V149 HydrophobicContact CB-CG2 3.74Å; W142-V149 WeakPolarHBondContact O-CB 3.48Å; W142-V149 PolarHBondContact O-N 2.89Å; W142-G162 PolarHBondContact NE1-O 2.82Å; W142-L164 HydrophobicContact CB-CD1 4.27Å; W142-L164 HydrophobicContact CB-CD2 4.22Å; W142-L164 HydrophobicContact CD2-CB 3.57Å; W142-L164 HydrophobicContact CD2-CD2 4.07Å; W142-L164 HydrophobicContact CD2-CG 4.31Å; W142-L164 VanDerWaalsContact CE2-CB 3.46Å; W142-L164 HydrophobicContact CE3-CB 4.02Å; W142-L164 HydrophobicContact CE3-CD2 4.04Å; W142-L164 HydrophobicContact CG-CB 3.89Å; W142-L164 HydrophobicContact CG-CD1 4.12Å; W142-L164 HydrophobicContact CG-CD2 4.16Å; W142-L164 HydrophobicContact CG-CG 4.3Å; W142-L164 HydrophobicContact CH2-CB 4.17Å; W142-L164 HydrophobicContact CZ2-CB 3.76Å; W142-L164 VanDerWaalsContact CZ2-N 3.34Å; W142-L164 HydrophobicContact CZ3-CB 4.31Å; W142-E178 WeakPolarHBondContact CA-O 3.29Å; W142-C179 HydrophobicContact CD2-CB 4.21Å; W142-C179 HydrophobicContact CE3-CB 4.4Å; W142-C179 HydrophobicContact CH2-CB 4.18Å; W142-C179 HydrophobicContact CZ2-CB 3.95Å; W142-C179 HydrophobicContact CZ3-CB 4.38Å |
| 143 | L | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.2 | 176.7 | -52.2 | 176.8 | 0 | 0 | 0 | 109 | T29 L141 L147 P148 Y177 E178 | T29-L143 HydrophobicContact CG2-CD1 4.2Å; L141-L143 HydrophobicContact CD2-CD2 3.87Å; L141-L143 HydrophobicContact CG-CD2 4.05Å; L143-L147 CarbonylContact C-O 3.49Å; L143-L147 WeakPolarHBondContact CA-O 3.5Å; L143-P148 HydrophobicContact CD2-CG 4.15Å; L143-Y177 CarbonylContact O-C 3.49Å; L143-Y177 VanDerWaalsContact O-CA 3.28Å; L143-Y177 WeakPolarHBondContact O-CA 3.48Å; L143-E178 HydrophobicContact CB-CG 3.94Å; L143-E178 HydrophobicContact CD1-CG 4.3Å; L143-E178 PolarHBondContact N-O 3.2Å; L143-E178 PolarHBondContact O-N 3.02Å |
| 144 | K | 90 | Very high | 85.6 | Confident | 40 Ų | 40 | 52 Ų | 52 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.1 | 167 | -172.4 | -167 | -171.4 | -165 | 0 | 108 | R146 L147 V149 S172 D173 E174 Y177 | K144-R146 PolarHBondContact O-N 2.85Å; K144-L147 PolarHBondContact N-O 3.39Å; K144-L147 PolarHBondContact O-N 2.72Å; K144-L147 VanDerWaalsContact O-O 3.08Å; K144-V149 HydrophobicContact CB-CG2 3.94Å; K144-S172 PolarHBondContact NZ-O 2.78Å; K144-D173 WeakPolarHBondContact CE-O 3.48Å; K144-D173 PolarHBondContact NZ-O 3.41Å; K144-D173 VanDerWaalsContact NZ-O 3.16Å; K144-E174 WeakPolarHBondContact CE-O 3.29Å; K144-E174 PolarHBondContact NZ-O 3.13Å; K144-Y177 HydrophobicContact CB-CD1 3.97Å; K144-Y177 HydrophobicContact CB-CE1 3.67Å; K144-Y177 HydrophobicContact CD-CE1 4.11Å; K144-Y177 HydrophobicContact CD-CE2 4.22Å; K144-Y177 WeakPolarHBondContact CD-OH 3.35Å; K144-Y177 WeakPolarHBondContact CE-OH 3.33Å; K144-Y177 HydrophobicContact CG-CD1 4.19Å; K144-Y177 HydrophobicContact CG-CD2 4.4Å; K144-Y177 HydrophobicContact CG-CE1 3.73Å; K144-Y177 HydrophobicContact CG-CE2 3.94Å |
| 145 | N | 85.3 | Confident | 85.7 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 45.5 | -173.5 | -57 | -14.5 | 0 | 0 | 0 | 110.6 | L147 R176 | N145-L147 PolarHBondContact O-N 2.93Å; N145-R176 PolarHBondContact N-O 3.32Å; N145-R176 PolarHBondContact OD1-N 3.08Å |
| 146 | R | 86 | Confident | 85.9 | Confident | 70 Ų | 70 | 46.5 Ų | 46.5 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -5.5 | -174.2 | -47.4 | 153.5 | 166.8 | 163.9 | -13 | 117 | N53 E55 K144 | N53-R146 VanDerWaalsContact CG-NH2 3.28Å; N53-R146 VanDerWaalsContact OD1-CZ 3.24Å; N53-R146 PolarHBondContact OD1-NH1 2.81Å; N53-R146 PolarHBondContact OD1-NH2 3.05Å; E55-R146 HydrophobicContact CG-CB 3.89Å; E55-R146 HydrophobicContact CG-CG 4.49Å; E55-R146 VanDerWaalsContact OE1-CD 3.3Å; E55-R146 WeakPolarHBondContact OE1-CD 3.28Å; E55-R146 IonicContact OE1-CZ 3.3Å; E55-R146 IonicContact OE1-NE 3.41Å; E55-R146 IonicContact OE1-NH1 3.5Å; E55-R146 PolarHBondContact OE1-NH1 3.33Å; K144-R146 PolarHBondContact O-N 2.85Å |
| 147 | L | 84.9 | Confident | 85.9 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 145.9 | 171.3 | -70 | 165.9 | 0 | 0 | 0 | 110.8 | E55 G57 L143 K144 N145 V149 | E55-L147 HydrophobicContact CB-CD1 4.27Å; E55-L147 HydrophobicContact CB-CD2 3.86Å; E55-L147 HydrophobicContact CB-CG 3.78Å; G57-L147 VanDerWaalsContact CA-CD1 3.48Å; L143-L147 CarbonylContact C-O 3.49Å; L143-L147 WeakPolarHBondContact CA-O 3.5Å; K144-L147 PolarHBondContact N-O 3.39Å; K144-L147 PolarHBondContact O-N 2.72Å; K144-L147 VanDerWaalsContact O-O 3.08Å; N145-L147 PolarHBondContact O-N 2.93Å; L147-V149 PolarHBondContact O-N 3.49Å |
| 148 | P | 86.8 | Confident | 86 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -46.4 | 124.6 | 172.9 | -32.4 | 38 | 0 | 0 | 0 | 113.5 | L31 L61 L141 L143 N150 | L31-P148 HydrophobicContact CD1-CG 3.62Å; L31-P148 HydrophobicContact CD2-CG 3.8Å; L31-P148 HydrophobicContact CG-CG 4.34Å; L61-P148 HydrophobicContact CD2-CB 4.32Å; L61-P148 HydrophobicContact CD2-CG 4.03Å; L141-P148 HydrophobicContact CD1-CB 4.32Å; L141-P148 HydrophobicContact CD2-CG 4.44Å; L143-P148 HydrophobicContact CD2-CG 4.15Å; P148-N150 PolarHBondContact O-N 2.77Å |
| 149 | V | 86.8 | Confident | 85.7 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 125.3 | 164.9 | 168.3 | 0 | 0 | 0 | 0 | 107.5 | W142 K144 L147 L151 Y156 L164 Y177 | W142-V149 HydrophobicContact CB-CB 4.1Å; W142-V149 HydrophobicContact CB-CG2 3.74Å; W142-V149 WeakPolarHBondContact O-CB 3.48Å; W142-V149 PolarHBondContact O-N 2.89Å; K144-V149 HydrophobicContact CB-CG2 3.94Å; L147-V149 PolarHBondContact O-N 3.49Å; V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 HydrophobicContact CG1-CD2 3.97Å; V149-L151 HydrophobicContact CG1-CG 4.49Å; V149-L151 PolarHBondContact O-N 2.83Å; V149-Y156 HydrophobicContact CG1-CD1 3.22Å; V149-Y156 HydrophobicContact CG1-CE1 3.82Å; V149-Y156 HydrophobicContact CG1-CG 3.67Å; V149-L164 HydrophobicContact CG1-CD1 4.24Å; V149-L164 HydrophobicContact CG2-CD2 4.21Å; V149-Y177 HydrophobicContact CG2-CD1 4Å; V149-Y177 HydrophobicContact CG2-CE1 3.86Å |
| 150 | N | 80.7 | Confident | 85.1 | Confident | 95 Ų | 95 | 41.8 Ų | 41.8 | 51% | 0.508 | 23% | 0.226 | S | C | . | . | trans | -74.1 | 88.6 | 179.2 | -177.2 | 10.8 | 0 | 0 | 0 | 110.3 | P148 T152 N153 | P148-N150 PolarHBondContact O-N 2.77Å; N150-T152 VanDerWaalsContact CG-OG1 3.26Å; N150-T152 PolarHBondContact ND2-OG1 2.8Å; N150-T152 PolarHBondContact O-N 2.83Å; N150-T152 VanDerWaalsContact O-N 3.07Å; N150-T152 WeakPolarHBondContact OD1-CB 3.31Å; N150-T152 PolarHBondContact OD1-N 2.82Å; N150-T152 VanDerWaalsContact OD1-N 3.09Å; N150-T152 PolarHBondContact OD1-OG1 2.88Å; N150-N153 WeakPolarHBondContact O-CA 3.45Å; N150-N153 WeakPolarHBondContact O-CB 3.23Å; N150-N153 PolarHBondContact O-N 2.87Å | ||
| 151 | L | 80.5 | Confident | 84.4 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.1 | 177.1 | -60.2 | 172.7 | 0 | 0 | 0 | 113.8 | V149 I158 L164 | V149-L151 VanDerWaalsContact C-N 3.33Å; V149-L151 HydrophobicContact CG1-CD2 3.97Å; V149-L151 HydrophobicContact CG1-CG 4.49Å; V149-L151 PolarHBondContact O-N 2.83Å; L151-I158 HydrophobicContact CD1-CD1 3.68Å; L151-I158 HydrophobicContact CD1-CG1 4.42Å; L151-I158 HydrophobicContact CD2-CD1 4.07Å; L151-I158 HydrophobicContact CD2-CG1 3.99Å; L151-L164 HydrophobicContact CD2-CD1 4.26Å |
| 152 | T | 74.2 | Confident | 84 | Confident | 86 Ų | 86 | 41.6 Ų | 41.6 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19.5 | 164.7 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | N150 K154 Y1931 | N150-T152 VanDerWaalsContact CG-OG1 3.26Å; N150-T152 PolarHBondContact ND2-OG1 2.8Å; N150-T152 PolarHBondContact O-N 2.83Å; N150-T152 VanDerWaalsContact O-N 3.07Å; N150-T152 WeakPolarHBondContact OD1-CB 3.31Å; N150-T152 PolarHBondContact OD1-N 2.82Å; N150-T152 VanDerWaalsContact OD1-N 3.09Å; N150-T152 PolarHBondContact OD1-OG1 2.88Å; T152-K154 PolarHBondContact O-N 2.8Å; T152-K154 VanDerWaalsContact O-N 3.14Å; T152-Y1931 WeakPolarHBondContact O-CE2 3.38Å; T152-Y1931 PolarHBondContact O-OH 2.84Å |
| 153 | N | 78.8 | Confident | 83.8 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -74.8 | 102.4 | 160.7 | -179 | -1.3 | 0 | 0 | 0 | 107.9 | N150 R155 Y156 | N150-N153 WeakPolarHBondContact O-CA 3.45Å; N150-N153 WeakPolarHBondContact O-CB 3.23Å; N150-N153 PolarHBondContact O-N 2.87Å; N153-R155 PolarHBondContact O-N 2.8Å; N153-R155 WeakPolarHBondContact OD1-CB 3.42Å; N153-R155 PolarHBondContact OD1-N 2.95Å; N153-R155 VanDerWaalsContact OD1-N 3.16Å; N153-Y156 HydrophobicContact CB-CD2 4Å; N153-Y156 WeakPolarHBondContact O-CB 3.47Å; N153-Y156 PolarHBondContact O-N 2.63Å |
| 154 | K | 79.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -9.7 | -174.9 | -60.3 | 144.1 | 131 | -126.5 | 0 | 115.1 | T152 Y156 Y1931 L1932 P1934 D1942 | T152-K154 PolarHBondContact O-N 2.8Å; T152-K154 VanDerWaalsContact O-N 3.14Å; K154-Y156 PolarHBondContact O-N 3.21Å; K154-Y1931 HydrophobicContact CD-CD2 3.55Å; K154-Y1931 HydrophobicContact CD-CE1 4.34Å; K154-Y1931 HydrophobicContact CD-CE2 3.3Å; K154-Y1931 HydrophobicContact CD-CG 4.16Å; K154-Y1931 VanDerWaalsContact CE-CD1 3.45Å; K154-Y1931 VanDerWaalsContact CE-CE1 3.41Å; K154-Y1931 HydrophobicContact CG-CE2 3.98Å; K154-L1932 WeakPolarHBondContact CE-O 3.44Å; K154-L1932 PolarHBondContact NZ-O 2.86Å; K154-P1934 HydrophobicContact CG-CG 4.03Å; K154-D1942 HydrophobicContact CB-CB 3.66Å; K154-D1942 VanDerWaalsContact CB-CG 3.45Å; K154-D1942 WeakPolarHBondContact CB-OD2 3.44Å; K154-D1942 HydrophobicContact CD-CB 3.81Å; K154-D1942 WeakPolarHBondContact CD-OD2 3.42Å; K154-D1942 WeakPolarHBondContact CE-OD2 3.19Å; K154-D1942 HydrophobicContact CG-CB 3.63Å; K154-D1942 VanDerWaalsContact NZ-CB 3.32Å; K154-D1942 PolarHBondContact NZ-O 2.96Å; K154-D1942 IonicContact NZ-OD2 3.17Å; K154-D1942 PolarHBondContact NZ-OD2 2.82Å |
| 155 | R | 88.9 | Confident | 84 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.1 | 164.4 | -66.1 | -156.3 | -61.1 | 83.4 | -1.8 | 111.9 | N153 I166 Q167 Q168 E170 D173 I1907 | N153-R155 PolarHBondContact O-N 2.8Å; N153-R155 WeakPolarHBondContact OD1-CB 3.42Å; N153-R155 PolarHBondContact OD1-N 2.95Å; N153-R155 VanDerWaalsContact OD1-N 3.16Å; R155-I166 CarbonylContact O-C 3.59Å; R155-I166 WeakPolarHBondContact O-CA 3.42Å; R155-Q167 VanDerWaalsContact CB-O 3.25Å; R155-Q167 WeakPolarHBondContact CB-O 3.31Å; R155-Q167 WeakPolarHBondContact CD-O 3.17Å; R155-Q167 WeakPolarHBondContact CG-O 3.33Å; R155-Q167 PolarHBondContact NH1-O 3Å; R155-Q167 WeakPolarHBondContact O-CB 3.22Å; R155-Q167 PolarHBondContact O-N 3.38Å; R155-Q168 PolarHBondContact NH1-O 3.17Å; R155-E170 IonicContact CZ-OE2 2.78Å; R155-E170 IonicContact NE-OE2 3.6Å; R155-E170 PolarHBondContact NE-OE2 2.79Å; R155-E170 IonicContact NH2-OE2 2.94Å; R155-E170 PolarHBondContact NH2-OE2 2.87Å; R155-D173 IonicContact CZ-OD1 2.86Å; R155-D173 IonicContact CZ-OD2 2.71Å; R155-D173 VanDerWaalsContact CZ-OD2 3.3Å; R155-D173 VanDerWaalsContact NH1-CG 3.35Å; R155-D173 IonicContact NH1-OD1 3.18Å; R155-D173 PolarHBondContact NH1-OD1 3.16Å; R155-D173 IonicContact NH1-OD2 2.74Å; R155-D173 PolarHBondContact NH1-OD2 3.2Å; R155-D173 IonicContact NH2-OD1 3.29Å; R155-D173 PolarHBondContact NH2-OD1 3.33Å; R155-D173 IonicContact NH2-OD2 3.48Å; R155-D173 PolarHBondContact NH2-OD2 3.14Å; R155-D173 VanDerWaalsContact NH2-OD2 3.17Å; R155-I1907 HydrophobicContact CG-CD1 3.19Å |
| 156 | Y | 89.1 | Confident | 84.4 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.8 | 179.4 | -65.4 | -99.9 | 0 | 0 | 0 | 111 | V149 N153 K154 L164 I166 D173 Y177 | V149-Y156 HydrophobicContact CG1-CD1 3.22Å; V149-Y156 HydrophobicContact CG1-CE1 3.82Å; V149-Y156 HydrophobicContact CG1-CG 3.67Å; N153-Y156 HydrophobicContact CB-CD2 4Å; N153-Y156 WeakPolarHBondContact O-CB 3.47Å; N153-Y156 PolarHBondContact O-N 2.63Å; K154-Y156 PolarHBondContact O-N 3.21Å; Y156-L164 HydrophobicContact CD1-CD1 4.28Å; Y156-L164 HydrophobicContact CD1-CD2 4.2Å; Y156-I166 HydrophobicContact CD1-CD1 3.96Å; Y156-I166 HydrophobicContact CD1-CG1 3.61Å; Y156-I166 HydrophobicContact CE1-CD1 3.52Å; Y156-I166 HydrophobicContact CE1-CG1 3.65Å; Y156-I166 HydrophobicContact CE1-CG2 4.27Å; Y156-I166 HydrophobicContact CG-CG1 4.45Å; Y156-D173 VanDerWaalsContact OH-CG 3.32Å; Y156-D173 PolarHBondContact OH-OD1 3.36Å; Y156-Y177 AromaticContact CE1-CE1 3.94Å; Y156-Y177 HydrophobicContact CE1-CE1 3.94Å; Y156-Y177 PolarHBondContact OH-OH 3.08Å; Y156-Y177 VanDerWaalsContact OH-OH 3.08Å |
| 157 | S | 87.9 | Confident | 84.4 | Confident | 29 Ų | 29 | 33.6 Ų | 33.6 | 20% | 0.203 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 152.9 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | L164 V165 | S157-L164 CarbonylContact O-C 3.5Å; S157-L164 WeakPolarHBondContact O-CA 3.46Å; S157-V165 PolarHBondContact N-O 3.4Å; S157-V165 PolarHBondContact O-N 2.84Å |
| 158 | I | 88 | Confident | 84.2 | Confident | 39 Ų | 39 | 32.8 Ų | 32.8 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.9 | 176 | -59.2 | 173.8 | 0 | 0 | 0 | 108.7 | L151 L164 | L151-I158 HydrophobicContact CD1-CD1 3.68Å; L151-I158 HydrophobicContact CD1-CG1 4.42Å; L151-I158 HydrophobicContact CD2-CD1 4.07Å; L151-I158 HydrophobicContact CD2-CG1 3.99Å; I158-L164 HydrophobicContact CG1-CD1 4.15Å |
| 159 | S | 81.4 | Confident | 84.1 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | trans | -72.4 | 163.3 | 176.6 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | I161 G162 S163 | S159-I161 PolarHBondContact O-N 2.94Å; S159-I161 WeakPolarHBondContact OG-CG1 3.44Å; S159-G162 PolarHBondContact O-N 2.79Å; S159-S163 PolarHBondContact N-O 2.9Å; S159-S163 WeakPolarHBondContact OG-CA 3.37Å; S159-S163 VanDerWaalsContact OG-CB 3.26Å; S159-S163 WeakPolarHBondContact OG-CB 3.31Å; S159-S163 PolarHBondContact OG-N 2.74Å; S159-S163 PolarHBondContact OG-O 2.76Å | ||
| 160 | T | 76.2 | Confident | 83.9 | Confident | 101 Ų | 101 | 33 Ų | 33 | 62% | 0.62 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.7 | -178.3 | 51.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 161 | I | 75 | Confident | 83.6 | Confident | 76 Ų | 76 | 33.2 Ų | 33.2 | 39% | 0.39 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -19.5 | 178.7 | 60.3 | 171.9 | 0 | 0 | 0 | 114.1 | C130 R131 S159 | C130-I161 CarbonylContact O-C 3.6Å; R131-I161 WeakPolarHBondContact CA-O 3.33Å; S159-I161 PolarHBondContact O-N 2.94Å; S159-I161 WeakPolarHBondContact OG-CG1 3.44Å |
| 162 | G | 80.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 124.7 | -16.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | C130 I140 W142 S159 | C130-G162 CarbonylContact O-C 3.5Å; C130-G162 WeakPolarHBondContact O-CA 3.46Å; I140-G162 VanDerWaalsContact CD1-CA 3.41Å; W142-G162 PolarHBondContact NE1-O 2.82Å; S159-G162 PolarHBondContact O-N 2.79Å |
| 163 | S | 89.7 | Confident | 84.3 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 136 | -179.2 | -47.2 | 0 | 0 | 0 | 0 | 112.7 | L128 A129 C130 S159 | L128-S163 CarbonylContact O-C 3.45Å; L128-S163 WeakPolarHBondContact O-CA 3.34Å; L128-S163 VanDerWaalsContact O-CB 3.27Å; L128-S163 WeakPolarHBondContact O-CB 3.42Å; A129-S163 WeakPolarHBondContact CA-OG 3.47Å; C130-S163 PolarHBondContact N-OG 2.74Å; C130-S163 VanDerWaalsContact N-OG 3.1Å; C130-S163 PolarHBondContact O-N 2.87Å; C130-S163 PolarHBondContact O-OG 3.15Å; S159-S163 PolarHBondContact N-O 2.9Å; S159-S163 WeakPolarHBondContact OG-CA 3.37Å; S159-S163 VanDerWaalsContact OG-CB 3.26Å; S159-S163 WeakPolarHBondContact OG-CB 3.31Å; S159-S163 PolarHBondContact OG-N 2.74Å; S159-S163 PolarHBondContact OG-O 2.76Å |
| 164 | L | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 134.4 | 171.3 | -175.1 | 72.4 | 0 | 0 | 0 | 109.7 | T127 L128 W142 V149 L151 Y156 S157 I158 I166 Y177 | T127-L164 CarbonylContact C-O 3.59Å; T127-L164 WeakPolarHBondContact CA-O 3.31Å; L128-L164 HydrophobicContact CB-CB 4.49Å; L128-L164 HydrophobicContact CD1-CD2 4.47Å; L128-L164 PolarHBondContact N-O 2.86Å; L128-L164 PolarHBondContact O-N 2.92Å; W142-L164 HydrophobicContact CB-CD1 4.27Å; W142-L164 HydrophobicContact CB-CD2 4.22Å; W142-L164 HydrophobicContact CD2-CB 3.57Å; W142-L164 HydrophobicContact CD2-CD2 4.07Å; W142-L164 HydrophobicContact CD2-CG 4.31Å; W142-L164 VanDerWaalsContact CE2-CB 3.46Å; W142-L164 HydrophobicContact CE3-CB 4.02Å; W142-L164 HydrophobicContact CE3-CD2 4.04Å; W142-L164 HydrophobicContact CG-CB 3.89Å; W142-L164 HydrophobicContact CG-CD1 4.12Å; W142-L164 HydrophobicContact CG-CD2 4.16Å; W142-L164 HydrophobicContact CG-CG 4.3Å; W142-L164 HydrophobicContact CH2-CB 4.17Å; W142-L164 HydrophobicContact CZ2-CB 3.76Å; W142-L164 VanDerWaalsContact CZ2-N 3.34Å; W142-L164 HydrophobicContact CZ3-CB 4.31Å; V149-L164 HydrophobicContact CG1-CD1 4.24Å; V149-L164 HydrophobicContact CG2-CD2 4.21Å; L151-L164 HydrophobicContact CD2-CD1 4.26Å; Y156-L164 HydrophobicContact CD1-CD1 4.28Å; Y156-L164 HydrophobicContact CD1-CD2 4.2Å; S157-L164 CarbonylContact O-C 3.5Å; S157-L164 WeakPolarHBondContact O-CA 3.46Å; I158-L164 HydrophobicContact CG1-CD1 4.15Å; L164-I166 HydrophobicContact CD2-CD1 3.86Å; L164-I166 HydrophobicContact CD2-CG1 4.04Å; L164-I166 HydrophobicContact CG-CD1 4.44Å; L164-I166 HydrophobicContact CG-CG1 4.09Å; L164-Y177 HydrophobicContact CD2-CD1 3.63Å; L164-Y177 HydrophobicContact CD2-CE1 3.74Å |
| 165 | V | 91.8 | Very high | 84.9 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 7% | 0.073 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.7 | 173.2 | -168.8 | 0 | 0 | 0 | 0 | 108.7 | S125 A126 T127 S157 E1939 | S125-V165 WeakPolarHBondContact OG-CG1 3.3Å; A126-V165 CarbonylContact O-C 3.58Å; A126-V165 WeakPolarHBondContact O-CA 3.29Å; T127-V165 HydrophobicContact CG2-CG2 4.14Å; S157-V165 PolarHBondContact N-O 3.4Å; S157-V165 PolarHBondContact O-N 2.84Å; V165-E1939 HydrophobicContact CG1-CG 4.35Å; V165-E1939 WeakPolarHBondContact CG1-OE1 3.38Å |
| 166 | I | 92.4 | Very high | 85 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 94.7 | -179.2 | -57.8 | 171 | 0 | 0 | 0 | 108.1 | S125 A126 R155 Y156 L164 T169 D173 Y177 L195 | S125-I166 WeakPolarHBondContact CA-O 3.43Å; A126-I166 HydrophobicContact CB-CB 4.38Å; A126-I166 PolarHBondContact N-O 2.76Å; A126-I166 PolarHBondContact O-N 2.85Å; R155-I166 CarbonylContact O-C 3.59Å; R155-I166 WeakPolarHBondContact O-CA 3.42Å; Y156-I166 HydrophobicContact CD1-CD1 3.96Å; Y156-I166 HydrophobicContact CD1-CG1 3.61Å; Y156-I166 HydrophobicContact CE1-CD1 3.52Å; Y156-I166 HydrophobicContact CE1-CG1 3.65Å; Y156-I166 HydrophobicContact CE1-CG2 4.27Å; Y156-I166 HydrophobicContact CG-CG1 4.45Å; L164-I166 HydrophobicContact CD2-CD1 3.86Å; L164-I166 HydrophobicContact CD2-CG1 4.04Å; L164-I166 HydrophobicContact CG-CD1 4.44Å; L164-I166 HydrophobicContact CG-CG1 4.09Å; I166-T169 HydrophobicContact CG2-CG2 4.25Å; I166-T169 PolarHBondContact O-OG1 2.91Å; I166-D173 HydrophobicContact CG2-CB 4.32Å; I166-Y177 HydrophobicContact CD1-CE1 3.78Å; I166-Y177 HydrophobicContact CD1-CE2 4.29Å; I166-L195 HydrophobicContact CD1-CD2 3.54Å |
| 167 | Q | 86.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -66.6 | 129.1 | 175 | -66.7 | -138.5 | -75.1 | 0 | 0 | 110.7 | R155 L1910 C1912 E1939 G1940 | R155-Q167 VanDerWaalsContact CB-O 3.25Å; R155-Q167 WeakPolarHBondContact CB-O 3.31Å; R155-Q167 WeakPolarHBondContact CD-O 3.17Å; R155-Q167 WeakPolarHBondContact CG-O 3.33Å; R155-Q167 PolarHBondContact NH1-O 3Å; R155-Q167 WeakPolarHBondContact O-CB 3.22Å; R155-Q167 PolarHBondContact O-N 3.38Å; Q167-L1910 HydrophobicContact CB-CD1 3.83Å; Q167-L1910 HydrophobicContact CB-CD2 3.53Å; Q167-L1910 HydrophobicContact CB-CG 4.34Å; Q167-L1910 HydrophobicContact CG-CD2 4.34Å; Q167-C1912 PolarHBondContact NE2-SG 2.94Å; Q167-E1939 HydrophobicContact CG-CG 3.88Å; Q167-E1939 WeakPolarHBondContact CG-OE1 3.28Å; Q167-E1939 VanDerWaalsContact NE2-CD 3.33Å; Q167-E1939 PolarHBondContact NE2-OE1 2.88Å; Q167-G1940 VanDerWaalsContact OE1-N 3.1Å |
| 168 | Q | 81.8 | Confident | 85.4 | Confident | 13 Ų | 13 | 36 Ų | 36 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 49.8 | 75 | -176.7 | -91 | 167.2 | -10.8 | 0 | 0 | 111.9 | G123 G124 R155 E170 T1906 N1909 L1910 | G123-Q168 VanDerWaalsContact O-CG 3.24Å; G123-Q168 WeakPolarHBondContact O-CG 3.31Å; G124-Q168 CarbonylContact O-C 3.54Å; G124-Q168 WeakPolarHBondContact O-CA 3.21Å; G124-Q168 PolarHBondContact O-N 2.97Å; R155-Q168 PolarHBondContact NH1-O 3.17Å; Q168-E170 PolarHBondContact O-N 2.81Å; Q168-E170 VanDerWaalsContact O-N 3.13Å; Q168-T1906 VanDerWaalsContact CD-C 3.49Å; Q168-T1906 PolarHBondContact NE2-O 3.47Å; Q168-T1906 VanDerWaalsContact OE1-CA 3.31Å; Q168-T1906 PolarHBondContact OE1-O 3.4Å; Q168-N1909 PolarHBondContact NE2-O 3.42Å; Q168-L1910 HydrophobicContact CB-CD2 3.77Å; Q168-L1910 HydrophobicContact CB-CG 4.39Å; Q168-L1910 HydrophobicContact CG-CD2 3.45Å; Q168-L1910 VanDerWaalsContact CG-CD2 3.45Å; Q168-L1910 HydrophobicContact CG-CG 3.96Å |
| 169 | T | 84.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | trans | -64 | 119.3 | 178.2 | -38.1 | 0 | 0 | 0 | 0 | 109.5 | V120 R122 G123 G124 I166 D173 L195 V197 | V120-T169 VanDerWaalsContact CG1-CB 3.45Å; V120-T169 HydrophobicContact CG1-CG2 3.61Å; V120-T169 WeakPolarHBondContact CG1-OG1 3.37Å; R122-T169 WeakPolarHBondContact CA-O 3.24Å; G123-T169 PolarHBondContact N-O 3.11Å; G124-T169 PolarHBondContact O-N 3.29Å; G124-T169 PolarHBondContact O-OG1 2.72Å; I166-T169 HydrophobicContact CG2-CG2 4.25Å; I166-T169 PolarHBondContact O-OG1 2.91Å; T169-D173 VanDerWaalsContact CA-OD2 3.25Å; T169-D173 WeakPolarHBondContact CA-OD2 3.31Å; T169-D173 HydrophobicContact CG2-CB 3.62Å; T169-L195 HydrophobicContact CG2-CD2 3.92Å; T169-L195 HydrophobicContact CG2-CG 4.46Å; T169-V197 HydrophobicContact CG2-CG1 4.31Å; T169-V197 HydrophobicContact CG2-CG2 3.57Å | ||
| 170 | E | 82.2 | Confident | 86 | Confident | 44 Ų | 44 | 33.4 Ų | 33.4 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | trans | -93.1 | 158.8 | 169.7 | -70 | -176.8 | 111.4 | 0 | 0 | 108.5 | R155 Q168 S172 D173 K1904 | R155-E170 IonicContact CZ-OE2 2.78Å; R155-E170 IonicContact NE-OE2 3.6Å; R155-E170 PolarHBondContact NE-OE2 2.79Å; R155-E170 IonicContact NH2-OE2 2.94Å; R155-E170 PolarHBondContact NH2-OE2 2.87Å; Q168-E170 PolarHBondContact O-N 2.81Å; Q168-E170 VanDerWaalsContact O-N 3.13Å; E170-S172 VanDerWaalsContact CB-OG 3.28Å; E170-S172 WeakPolarHBondContact CB-OG 3.11Å; E170-S172 PolarHBondContact O-N 3.1Å; E170-S172 VanDerWaalsContact O-N 3.08Å; E170-S172 PolarHBondContact OE2-OG 2.96Å; E170-D173 PolarHBondContact N-OD2 3.05Å; E170-D173 WeakPolarHBondContact O-CB 3.29Å; E170-D173 PolarHBondContact O-N 3.19Å; E170-K1904 IonicContact OE1-NZ 2.73Å; E170-K1904 PolarHBondContact OE1-NZ 2.84Å | ||
| 171 | E | 75 | Confident | 86.7 | Confident | 101 Ų | 101 | 28.6 Ų | 28.6 | 47% | 0.472 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -55.8 | -25.9 | 172.1 | -71.8 | 141.2 | -142.8 | 0 | 0 | 112.4 | R122 D173 E174 | R122-E171 WeakPolarHBondContact CD-OE1 3.38Å; R122-E171 IonicContact CZ-OE1 3.84Å; R122-E171 IonicContact NE-OE1 3.96Å; R122-E171 IonicContact NH1-OE1 3.82Å; R122-E171 PolarHBondContact NH1-OE1 3.29Å; R122-E171 IonicContact NH1-OE2 2.66Å; E171-D173 PolarHBondContact O-N 3.44Å; E171-E174 WeakPolarHBondContact O-CB 3.43Å; E171-E174 PolarHBondContact O-N 3.3Å |
| 172 | S | 79.8 | Confident | 87.5 | Confident | 78 Ų | 78 | 28 Ų | 28 | 55% | 0.545 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -66 | -13.2 | 172.5 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | K144 E170 | K144-S172 PolarHBondContact NZ-O 2.78Å; E170-S172 VanDerWaalsContact CB-OG 3.28Å; E170-S172 WeakPolarHBondContact CB-OG 3.11Å; E170-S172 PolarHBondContact O-N 3.1Å; E170-S172 VanDerWaalsContact O-N 3.08Å; E170-S172 PolarHBondContact OE2-OG 2.96Å |
| 173 | D | 88.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -89.1 | -10.3 | 175.2 | -55.3 | -41.5 | 0 | 0 | 0 | 112.9 | K144 R155 Y156 I166 T169 E170 E171 G175 Y177 L195 | K144-D173 WeakPolarHBondContact CE-O 3.48Å; K144-D173 PolarHBondContact NZ-O 3.41Å; K144-D173 VanDerWaalsContact NZ-O 3.16Å; R155-D173 IonicContact CZ-OD1 2.86Å; R155-D173 IonicContact CZ-OD2 2.71Å; R155-D173 VanDerWaalsContact CZ-OD2 3.3Å; R155-D173 VanDerWaalsContact NH1-CG 3.35Å; R155-D173 IonicContact NH1-OD1 3.18Å; R155-D173 PolarHBondContact NH1-OD1 3.16Å; R155-D173 IonicContact NH1-OD2 2.74Å; R155-D173 PolarHBondContact NH1-OD2 3.2Å; R155-D173 IonicContact NH2-OD1 3.29Å; R155-D173 PolarHBondContact NH2-OD1 3.33Å; R155-D173 IonicContact NH2-OD2 3.48Å; R155-D173 PolarHBondContact NH2-OD2 3.14Å; R155-D173 VanDerWaalsContact NH2-OD2 3.17Å; Y156-D173 VanDerWaalsContact OH-CG 3.32Å; Y156-D173 PolarHBondContact OH-OD1 3.36Å; I166-D173 HydrophobicContact CG2-CB 4.32Å; T169-D173 VanDerWaalsContact CA-OD2 3.25Å; T169-D173 WeakPolarHBondContact CA-OD2 3.31Å; T169-D173 HydrophobicContact CG2-CB 3.62Å; E170-D173 PolarHBondContact N-OD2 3.05Å; E170-D173 WeakPolarHBondContact O-CB 3.29Å; E170-D173 PolarHBondContact O-N 3.19Å; E171-D173 PolarHBondContact O-N 3.44Å; D173-G175 PolarHBondContact O-N 3.24Å; D173-Y177 WeakPolarHBondContact O-CE2 3.45Å; D173-Y177 PolarHBondContact O-OH 2.95Å; D173-L195 HydrophobicContact CB-CD2 4.43Å |
| 174 | E | 86.1 | Confident | 87.8 | Confident | 85 Ų | 85 | 35.8 Ų | 35.8 | 40% | 0.397 | 17% | 0.17 | S | C | . | . | trans | -58.9 | 138.8 | 176.3 | -175.3 | 145.8 | 131.2 | 0 | 0 | 111.3 | K144 E171 L195 Y196 V197 | K144-E174 WeakPolarHBondContact CE-O 3.29Å; K144-E174 PolarHBondContact NZ-O 3.13Å; E171-E174 WeakPolarHBondContact O-CB 3.43Å; E171-E174 PolarHBondContact O-N 3.3Å; E174-L195 WeakPolarHBondContact CA-O 3.39Å; E174-L195 WeakPolarHBondContact CG-O 3.32Å; E174-Y196 VanDerWaalsContact OE2-CA 3.31Å; E174-Y196 WeakPolarHBondContact OE2-CA 3.38Å; E174-V197 HydrophobicContact CB-CG2 4.35Å; E174-V197 PolarHBondContact OE2-N 2.93Å | ||
| 175 | G | 85.5 | Confident | 87.6 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.1 | -172.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D173 Y177 H194 L195 | D173-G175 PolarHBondContact O-N 3.24Å; G175-Y177 WeakPolarHBondContact O-CD2 3.26Å; G175-H194 VanDerWaalsContact C-CD2 3.45Å; G175-H194 WeakPolarHBondContact CA-NE2 3.42Å; G175-H194 PolarHBondContact O-CD2 3.09Å; G175-L195 PolarHBondContact N-O 2.99Å; G175-L195 PolarHBondContact O-N 2.95Å |
| 176 | R | 90.5 | Very high | 87.5 | Confident | 149 Ų | 149 | 37.8 Ų | 37.8 | 56% | 0.562 | 18% | 0.179 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.2 | -170.3 | -156.7 | 179.8 | -169.3 | -177.3 | 3.8 | 111.7 | N145 S192 A193 | N145-R176 PolarHBondContact N-O 3.32Å; N145-R176 PolarHBondContact OD1-N 3.08Å; R176-S192 PolarHBondContact NE-O 2.99Å; R176-A193 CarbonylContact C-O 3.6Å; R176-A193 VanDerWaalsContact CA-O 3.3Å; R176-A193 WeakPolarHBondContact CA-O 3.49Å |
| 177 | Y | 93.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 146.7 | -175.1 | -71.7 | -95.3 | 0 | 0 | 0 | 112.4 | L128 L143 K144 V149 Y156 L164 I166 D173 G175 S192 A193 L195 | L128-Y177 VanDerWaalsContact CD1-CB 3.43Å; L128-Y177 HydrophobicContact CD1-CD1 4.05Å; L128-Y177 HydrophobicContact CD1-CD2 3.79Å; L128-Y177 HydrophobicContact CD1-CG 3.49Å; L128-Y177 VanDerWaalsContact CD1-CG 3.49Å; L143-Y177 CarbonylContact O-C 3.49Å; L143-Y177 VanDerWaalsContact O-CA 3.28Å; L143-Y177 WeakPolarHBondContact O-CA 3.48Å; K144-Y177 HydrophobicContact CB-CD1 3.97Å; K144-Y177 HydrophobicContact CB-CE1 3.67Å; K144-Y177 HydrophobicContact CD-CE1 4.11Å; K144-Y177 HydrophobicContact CD-CE2 4.22Å; K144-Y177 WeakPolarHBondContact CD-OH 3.35Å; K144-Y177 WeakPolarHBondContact CE-OH 3.33Å; K144-Y177 HydrophobicContact CG-CD1 4.19Å; K144-Y177 HydrophobicContact CG-CD2 4.4Å; K144-Y177 HydrophobicContact CG-CE1 3.73Å; K144-Y177 HydrophobicContact CG-CE2 3.94Å; V149-Y177 HydrophobicContact CG2-CD1 4Å; V149-Y177 HydrophobicContact CG2-CE1 3.86Å; Y156-Y177 AromaticContact CE1-CE1 3.94Å; Y156-Y177 HydrophobicContact CE1-CE1 3.94Å; Y156-Y177 PolarHBondContact OH-OH 3.08Å; Y156-Y177 VanDerWaalsContact OH-OH 3.08Å; L164-Y177 HydrophobicContact CD2-CD1 3.63Å; L164-Y177 HydrophobicContact CD2-CE1 3.74Å; I166-Y177 HydrophobicContact CD1-CE1 3.78Å; I166-Y177 HydrophobicContact CD1-CE2 4.29Å; D173-Y177 WeakPolarHBondContact O-CE2 3.45Å; D173-Y177 PolarHBondContact O-OH 2.95Å; G175-Y177 WeakPolarHBondContact O-CD2 3.26Å; Y177-S192 CarbonylContact O-C 3.58Å; Y177-S192 VanDerWaalsContact O-CA 3.28Å; Y177-S192 WeakPolarHBondContact O-CA 3.44Å; Y177-A193 PolarHBondContact N-O 3.15Å; Y177-A193 PolarHBondContact O-N 2.95Å; Y177-L195 HydrophobicContact CD2-CB 3.99Å; Y177-L195 HydrophobicContact CE2-CB 3.84Å; Y177-L195 HydrophobicContact CE2-CD2 3.97Å |
| 178 | E | 91.5 | Very high | 87.7 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.3 | 170.5 | 60.7 | -172.7 | 179.1 | 0 | 0 | 112.2 | K27 R65 W142 L143 S192 | K27-E178 IonicContact NZ-OE2 3.19Å; K27-E178 PolarHBondContact NZ-OE2 3.39Å; R65-E178 IonicContact CZ-OE1 3.15Å; R65-E178 IonicContact CZ-OE2 2.69Å; R65-E178 IonicContact NH1-OE1 2.65Å; R65-E178 PolarHBondContact NH1-OE1 2.9Å; R65-E178 IonicContact NH1-OE2 2.97Å; R65-E178 VanDerWaalsContact NH2-CD 3.26Å; R65-E178 IonicContact NH2-OE1 2.89Å; R65-E178 PolarHBondContact NH2-OE1 2.86Å; R65-E178 IonicContact NH2-OE2 3.99Å; R65-E178 PolarHBondContact NH2-OE2 2.77Å; W142-E178 WeakPolarHBondContact CA-O 3.29Å; L143-E178 HydrophobicContact CB-CG 3.94Å; L143-E178 HydrophobicContact CD1-CG 4.3Å; L143-E178 PolarHBondContact N-O 3.2Å; L143-E178 PolarHBondContact O-N 3.02Å; E178-S192 PolarHBondContact OE2-OG 3.4Å |
| 179 | C | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129 | -174.1 | -175 | 0 | 0 | 0 | 0 | 109 | C130 W142 H189 S190 | C130-C179 HydrophobicContact CB-CB 3.74Å; C130-C179 WeakPolarHBondContact CB-SG 3.45Å; C130-C179 WeakPolarHBondContact SG-CB 3.4Å; C130-C179 CovalentContact SG-SG 2.05Å; C130-C179 PolarHBondContact SG-SG 2.68Å; W142-C179 HydrophobicContact CD2-CB 4.21Å; W142-C179 HydrophobicContact CE3-CB 4.4Å; W142-C179 HydrophobicContact CH2-CB 4.18Å; W142-C179 HydrophobicContact CZ2-CB 3.95Å; W142-C179 HydrophobicContact CZ3-CB 4.38Å; C179-H189 WeakPolarHBondContact O-CA 3.27Å; C179-S190 PolarHBondContact N-OG 3.45Å; C179-S190 PolarHBondContact O-N 2.8Å; C179-S190 PolarHBondContact O-OG 2.73Å |
| 180 | M | 91.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.5 | 178.1 | -177.5 | -178.3 | 106.9 | 0 | 0 | 109.3 | I140 L141 V187 H189 | I140-M180 WeakPolarHBondContact CA-O 3.31Å; L141-M180 HydrophobicContact CB-CB 4.4Å; L141-M180 HydrophobicContact CB-CE 4.32Å; L141-M180 HydrophobicContact CD2-CE 3.91Å; L141-M180 HydrophobicContact CD2-SD 4.46Å; L141-M180 PolarHBondContact N-O 2.9Å; L141-M180 WeakPolarHBondContact O-CB 3.42Å; L141-M180 PolarHBondContact O-N 2.75Å; M180-V187 HydrophobicContact CG-CG1 3.64Å; M180-V187 HydrophobicContact SD-CG1 4.16Å; M180-H189 WeakPolarHBondContact CG-CE1 3.3Å; M180-H189 PolarHBondContact SD-CE1 3Å |
| 181 | A | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P109 I111 V132 P138 S139 V187 A188 | P109-A181 HydrophobicContact CB-CB 3.96Å; I111-A181 HydrophobicContact CD1-CB 3.9Å; V132-A181 HydrophobicContact CB-CB 4.43Å; V132-A181 HydrophobicContact CG1-CB 3.43Å; V132-A181 VanDerWaalsContact CG1-CB 3.43Å; V132-A181 HydrophobicContact CG2-CB 4.08Å; P138-A181 HydrophobicContact CB-CB 4.19Å; S139-A181 CarbonylContact O-C 3.56Å; S139-A181 WeakPolarHBondContact O-CA 3.16Å; A181-V187 CarbonylContact O-C 3.52Å; A181-V187 VanDerWaalsContact O-CA 3.27Å; A181-V187 WeakPolarHBondContact O-CA 3.46Å; A181-A188 PolarHBondContact N-O 2.7Å; A181-A188 PolarHBondContact O-N 3.46Å |
| 182 | R | 90.8 | Very high | 89.3 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 130.3 | -177 | -180 | 166.4 | -170.4 | -126.4 | 3.6 | 113.5 | E18 D19 P138 S139 G186 V187 | E18-R182 IonicContact OE1-NH1 2.71Å; E18-R182 PolarHBondContact OE1-NH1 3.08Å; E18-R182 IonicContact OE2-CZ 3.41Å; E18-R182 IonicContact OE2-NH1 3.34Å; E18-R182 PolarHBondContact OE2-NH1 3.16Å; E18-R182 IonicContact OE2-NH2 3.47Å; E18-R182 PolarHBondContact OE2-NH2 3.08Å; D19-R182 PolarHBondContact O-NH2 3.02Å; P138-R182 CarbonylContact C-O 3.49Å; P138-R182 WeakPolarHBondContact CA-O 3.48Å; S139-R182 PolarHBondContact N-O 3.07Å; S139-R182 PolarHBondContact O-N 2.8Å; S139-R182 PolarHBondContact OG-O 2.84Å; R182-G186 WeakPolarHBondContact CA-O 3.26Å; R182-V187 HydrophobicContact CB-CG2 3.88Å; R182-V187 HydrophobicContact CG-CG2 3.64Å |
| 183 | N | 89.8 | Confident | 89.6 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | -171.9 | 163.8 | 71.5 | 5.8 | 0 | 0 | 0 | 110.1 | G107 P109 P136 P138 H185 G186 | G107-N183 PolarHBondContact O-ND2 2.8Å; P109-N183 VanDerWaalsContact CD-OD1 3.3Å; P109-N183 WeakPolarHBondContact CD-OD1 3.32Å; P109-N183 HydrophobicContact CG-CB 4.37Å; P109-N183 WeakPolarHBondContact CG-OD1 3.4Å; P136-N183 WeakPolarHBondContact O-CB 3.4Å; P136-N183 PolarHBondContact O-ND2 2.78Å; P138-N183 HydrophobicContact CG-CB 4.42Å; N183-H185 PolarHBondContact O-N 2.96Å; N183-H185 WeakPolarHBondContact OD1-CA 3.43Å; N183-H185 WeakPolarHBondContact OD1-CB 3.42Å; N183-H185 PolarHBondContact OD1-N 2.83Å; N183-G186 PolarHBondContact N-O 3.16Å; N183-G186 PolarHBondContact O-N 2.91Å; N183-G186 VanDerWaalsContact O-O 3.13Å; N183-G186 PolarHBondContact OD1-N 3.02Å |
| 184 | E | 86.3 | Confident | 89.6 | Confident | 150 Ų | 150 | 42 Ų | 42 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.8 | 179.2 | 57.8 | 176.4 | -142 | 0 | 0 | 114.7 | P136 | P136-E184 HydrophobicContact CG-CG 3.95Š|
| 185 | H | 90.4 | Very high | 89.7 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -16.4 | 176.7 | -61.4 | -18.6 | 0 | 0 | 0 | 112.9 | V21 P105 R106 F108 D135 N183 | V21-H185 WeakPolarHBondContact CB-O 3.32Å; P105-H185 HydrophobicContact CB-CB 3.95Å; P105-H185 HydrophobicContact CG-CB 4.04Å; R106-H185 PolarHBondContact O-CD2 3.02Å; R106-H185 VanDerWaalsContact O-CD2 3.32Å; F108-H185 HydrophobicContact CD2-CB 4.41Å; F108-H185 VanDerWaalsContact CD2-O 3.22Å; F108-H185 WeakPolarHBondContact CD2-O 3.21Å; F108-H185 WeakPolarHBondContact CE2-O 3.45Å; D135-H185 PolarHBondContact O-CD2 2.75Å; D135-H185 VanDerWaalsContact O-CD2 3.32Å; N183-H185 PolarHBondContact O-N 2.96Å; N183-H185 WeakPolarHBondContact OD1-CA 3.43Å; N183-H185 WeakPolarHBondContact OD1-CB 3.42Å; N183-H185 PolarHBondContact OD1-N 2.83Å |
| 186 | G | 88.7 | Confident | 89.4 | Confident | 4 Ų | 4 | 41 Ų | 41 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152 | -154.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V21 P109 R182 N183 | V21-G186 CarbonylContact O-C 3.51Å; V21-G186 WeakPolarHBondContact O-CA 3.29Å; P109-G186 WeakPolarHBondContact CG-O 3.2Å; R182-G186 WeakPolarHBondContact CA-O 3.26Å; N183-G186 PolarHBondContact N-O 3.16Å; N183-G186 PolarHBondContact O-N 2.91Å; N183-G186 VanDerWaalsContact O-O 3.13Å; N183-G186 PolarHBondContact OD1-N 3.02Å |
| 187 | V | 91.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.3 | -176.1 | -179 | 0 | 0 | 0 | 0 | 111.5 | V20 V21 V22 F108 M180 A181 R182 | V20-V187 HydrophobicContact CG1-CB 3.77Å; V20-V187 HydrophobicContact CG1-CG2 3.61Å; V21-V187 PolarHBondContact O-N 3.27Å; V22-V187 HydrophobicContact CG1-CB 4.38Å; F108-V187 WeakPolarHBondContact CZ-O 3.44Å; M180-V187 HydrophobicContact CG-CG1 3.64Å; M180-V187 HydrophobicContact SD-CG1 4.16Å; A181-V187 CarbonylContact O-C 3.52Å; A181-V187 VanDerWaalsContact O-CA 3.27Å; A181-V187 WeakPolarHBondContact O-CA 3.46Å; R182-V187 HydrophobicContact CB-CG2 3.88Å; R182-V187 HydrophobicContact CG-CG2 3.64Å |
| 188 | A | 91.2 | Very high | 87.1 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F108 P109 A181 | F108-A188 HydrophobicContact CE1-CB 4.42Å; P109-A188 HydrophobicContact CB-CB 4.13Å; P109-A188 VanDerWaalsContact O-CB 3.3Å; P109-A188 WeakPolarHBondContact O-CB 3.39Å; A181-A188 PolarHBondContact N-O 2.7Å; A181-A188 PolarHBondContact O-N 3.46Å |
| 189 | H | 91.8 | Very high | 85.3 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.3 | 178.4 | -78 | -88 | 0 | 0 | 0 | 110.8 | K27 T29 R65 C179 M180 | K27-H189 HydrophobicContact CB-CB 3.93Å; K27-H189 HydrophobicContact CD-CB 3.47Å; K27-H189 VanDerWaalsContact CD-CB 3.47Å; K27-H189 HydrophobicContact CG-CB 4.33Å; K27-H189 PolarHBondContact O-CD2 3.39Å; K27-H189 VanDerWaalsContact O-CD2 3.3Å; T29-H189 PolarHBondContact OG1-CE1 2.72Å; T29-H189 PolarHBondContact OG1-NE2 3.43Å; R65-H189 PolarHBondContact NH1-ND1 2.78Å; C179-H189 WeakPolarHBondContact O-CA 3.27Å; M180-H189 WeakPolarHBondContact CG-CE1 3.3Å; M180-H189 PolarHBondContact SD-CE1 3Å |
| 190 | S | 91.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | trans | -74.1 | 172.1 | 173.2 | 77 | 0 | 0 | 0 | 0 | 112.8 | K27 E114 P115 C179 | K27-S190 PolarHBondContact NZ-O 3.05Å; E114-S190 VanDerWaalsContact OE2-CA 3.25Å; E114-S190 WeakPolarHBondContact OE2-CA 2.92Å; E114-S190 WeakPolarHBondContact OE2-CB 3.29Å; P115-S190 WeakPolarHBondContact CG-OG 3.45Å; C179-S190 PolarHBondContact N-OG 3.45Å; C179-S190 PolarHBondContact O-N 2.8Å; C179-S190 PolarHBondContact O-OG 2.73Å | ||
| 191 | R | 87.7 | Confident | 81.9 | Confident | 182 Ų | 182 | 54.5 Ų | 54.5 | 69% | 0.687 | 24% | 0.242 | S | C | * | . | trans | -60.7 | 159.9 | 156 | -70.1 | 166.9 | -160.3 | -123.2 | -3.7 | 110.6 | E114 P115 | E114-R191 WeakPolarHBondContact OE1-CD 3.44Å; E114-R191 WeakPolarHBondContact OE1-CG 3.24Å; E114-R191 IonicContact OE1-NE 2.73Å; E114-R191 PolarHBondContact OE1-NE 3.28Å; E114-R191 PolarHBondContact OE2-N 2.94Å; P115-R191 VanDerWaalsContact CG-O 3.25Å; P115-R191 WeakPolarHBondContact CG-O 3.43Å | ||
| 192 | S | 85.8 | Confident | 80.3 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | trans | -109.7 | 113.7 | -173.2 | -30.6 | 0 | 0 | 0 | 0 | 111.2 | K27 R176 Y177 E178 | K27-S192 PolarHBondContact NZ-OG 2.97Å; R176-S192 PolarHBondContact NE-O 2.99Å; Y177-S192 CarbonylContact O-C 3.58Å; Y177-S192 VanDerWaalsContact O-CA 3.28Å; Y177-S192 WeakPolarHBondContact O-CA 3.44Å; E178-S192 PolarHBondContact OE2-OG 3.4Å | ||
| 193 | A | 86.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 154.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P115 K116 R176 Y177 | P115-A193 HydrophobicContact CB-CB 3.97Å; P115-A193 HydrophobicContact CG-CB 4.37Å; K116-A193 WeakPolarHBondContact O-CB 3.37Å; R176-A193 CarbonylContact C-O 3.6Å; R176-A193 VanDerWaalsContact CA-O 3.3Å; R176-A193 WeakPolarHBondContact CA-O 3.49Å; Y177-A193 PolarHBondContact N-O 3.15Å; Y177-A193 PolarHBondContact O-N 2.95Å |
| 194 | H | 87.4 | Confident | 79 | Confident | 61 Ų | 61 | 57 Ų | 57 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.1 | 174 | -140.5 | 131.9 | 0 | 0 | 0 | 110.9 | L117 R118 G175 Y196 | L117-H194 WeakPolarHBondContact CA-O 3.25Å; R118-H194 PolarHBondContact N-O 3.38Å; G175-H194 VanDerWaalsContact C-CD2 3.45Å; G175-H194 WeakPolarHBondContact CA-NE2 3.42Å; G175-H194 PolarHBondContact O-CD2 3.09Å; H194-Y196 HydrophobicContact CB-CE2 4.16Å |
| 195 | L | 89.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.1 | 167.5 | 174.2 | 60.9 | 0 | 0 | 0 | 110.4 | R118 V120 A126 I166 T169 D173 E174 G175 Y177 | R118-L195 HydrophobicContact CB-CD1 4.31Å; R118-L195 CarbonylContact O-C 3.52Å; R118-L195 VanDerWaalsContact O-CA 3.32Å; R118-L195 WeakPolarHBondContact O-CA 3.48Å; V120-L195 HydrophobicContact CG1-CD1 3.98Å; A126-L195 HydrophobicContact CB-CD1 3.63Å; A126-L195 HydrophobicContact CB-CD2 4.16Å; I166-L195 HydrophobicContact CD1-CD2 3.54Å; T169-L195 HydrophobicContact CG2-CD2 3.92Å; T169-L195 HydrophobicContact CG2-CG 4.46Å; D173-L195 HydrophobicContact CB-CD2 4.43Å; E174-L195 WeakPolarHBondContact CA-O 3.39Å; E174-L195 WeakPolarHBondContact CG-O 3.32Å; G175-L195 PolarHBondContact N-O 2.99Å; G175-L195 PolarHBondContact O-N 2.95Å; Y177-L195 HydrophobicContact CD2-CB 3.99Å; Y177-L195 HydrophobicContact CE2-CB 3.84Å; Y177-L195 HydrophobicContact CE2-CD2 3.97Å |
| 196 | Y | 79.3 | Confident | 78.7 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.9 | 176.7 | -67.9 | -74.7 | 0 | 0 | 0 | 113.1 | L117 R118 T119 V120 E174 H194 | L117-Y196 HydrophobicContact CD1-CE2 4.05Å; L117-Y196 HydrophobicContact CD2-CD2 4.24Å; L117-Y196 HydrophobicContact CD2-CE2 4.3Å; L117-Y196 HydrophobicContact CG-CD2 4.42Å; L117-Y196 HydrophobicContact CG-CE2 4.17Å; R118-Y196 PolarHBondContact O-N 2.94Å; T119-Y196 WeakPolarHBondContact CA-O 3.46Å; V120-Y196 PolarHBondContact N-O 3.37Å; E174-Y196 VanDerWaalsContact OE2-CA 3.31Å; E174-Y196 WeakPolarHBondContact OE2-CA 3.38Å; H194-Y196 HydrophobicContact CB-CE2 4.16Å |
| 197 | V | 76.4 | Confident | 78.2 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.127 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.2 | -174.9 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | V120 R122 T169 E174 | V120-V197 HydrophobicContact CG1-CG1 4.48Å; V120-V197 HydrophobicContact CG1-CG2 4.4Å; V120-V197 CarbonylContact O-C 3.57Å; V120-V197 WeakPolarHBondContact O-CA 3.4Å; R122-V197 HydrophobicContact CB-CG1 4.1Å; T169-V197 HydrophobicContact CG2-CG1 4.31Å; T169-V197 HydrophobicContact CG2-CG2 3.57Å; E174-V197 HydrophobicContact CB-CG2 4.35Å; E174-V197 PolarHBondContact OE2-N 2.93Å |
| 198 | R | 58.8 | Low | 77.9 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 38% | 0.377 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 149.2 | -173.8 | -77.6 | 178.7 | 167.2 | 176 | -1.6 | 113 | T119 V120 E121 R122 H764 | T119-R198 HydrophobicContact CG2-CG 3.75Å; V120-R198 PolarHBondContact O-N 2.94Å; E121-R198 CarbonylContact C-O 3.58Å; E121-R198 VanDerWaalsContact CA-O 3.28Å; E121-R198 WeakPolarHBondContact CA-O 3.38Å; E121-R198 HydrophobicContact CG-CB 4.32Å; R122-R198 PolarHBondContact N-O 3.02Å; R198-H764 VanDerWaalsContact CD-ND1 3.27Å; R198-H764 WeakPolarHBondContact CD-ND1 3.24Å; R198-H764 HydrophobicContact CG-CB 4.34Å |
| 199 | V | 52.5 | Low | 77.5 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 150.2 | 179.7 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | R201 H764 | V199-R201 PolarHBondContact O-N 2.59Å; V199-H764 PolarHBondContact N-NE2 3.21Å; V199-H764 PolarHBondContact O-NE2 3.48Å |
| 200 | R | 52.8 | Low | 77.2 | Confident | 193 Ų | 193 | 66.5 Ų | 66.5 | 73% | 0.728 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 129.9 | -176.3 | -178.4 | 179.8 | 177.6 | -167.9 | -1.3 | 112.5 | H231 | R200-H231 PolarHBondContact O-CD2 3.09Š|
| 201 | R | 60 | Low | 76.7 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 149.6 | 174.2 | -72.9 | -176.8 | -173.2 | 155.2 | 2.4 | 113.5 | V199 H231 L278 I761 S763 | V199-R201 PolarHBondContact O-N 2.59Å; R201-H231 VanDerWaalsContact CA-O 3.31Å; R201-H231 WeakPolarHBondContact CA-O 3.24Å; R201-L278 HydrophobicContact CB-CD1 3.75Å; R201-L278 HydrophobicContact CB-CD2 4.42Å; R201-L278 HydrophobicContact CG-CD1 4.36Å; R201-I761 VanDerWaalsContact CZ-CG2 3.46Å; R201-I761 VanDerWaalsContact NH2-CG2 3.26Å; R201-S763 VanDerWaalsContact CZ-OG 3.31Å; R201-S763 PolarHBondContact NE-OG 2.94Å; R201-S763 VanDerWaalsContact NE-OG 3.1Å; R201-S763 PolarHBondContact NH2-OG 2.72Å |
| 202 | V | 57.5 | Low | 76.6 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 37% | 0.37 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 121.4 | -175.9 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | Y205 H231 L278 | V202-Y205 HydrophobicContact CG1-CD1 4.43Å; V202-Y205 HydrophobicContact CG1-CE1 4.28Å; V202-H231 HydrophobicContact CB-CB 4.04Å; V202-H231 HydrophobicContact CG2-CB 4.21Å; V202-H231 PolarHBondContact N-O 3.05Å; V202-H231 PolarHBondContact O-N 3.03Å; V202-L278 WeakPolarHBondContact O-CD1 3.29Å |
| 203 | S | 72.6 | Confident | 76.4 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 46% | 0.462 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 157.1 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | L278 | S203-L278 WeakPolarHBondContact CB-O 3.27Å; S203-L278 PolarHBondContact OG-O 2.57Å |
| 204 | P | 81.5 | Confident | 76.3 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 7% | 0.065 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 142.6 | -179 | -24.1 | 35.9 | 0 | 0 | 0 | 113 | V229 P234 G279 I281 | P204-V229 CarbonylContact C-O 3.58Å; P204-V229 WeakPolarHBondContact CA-O 3.32Å; P204-P234 HydrophobicContact CB-CB 3.97Å; P204-P234 HydrophobicContact CB-CG 4.24Å; P204-P234 HydrophobicContact CG-CB 3.99Å; P204-G279 WeakPolarHBondContact CG-O 3.17Å; P204-I281 HydrophobicContact CB-CD1 4Å; P204-I281 HydrophobicContact CB-CG1 4.11Å; P204-I281 WeakPolarHBondContact O-CG2 3.13Å |
| 205 | Y | 82.7 | Confident | 75.8 | Confident | 123 Ų | 123 | 76 Ų | 76 | 48% | 0.482 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.1 | 164.9 | 65.9 | -83.6 | 0 | 0 | 0 | 110 | V202 S207 A228 V229 I281 | V202-Y205 HydrophobicContact CG1-CD1 4.43Å; V202-Y205 HydrophobicContact CG1-CE1 4.28Å; Y205-S207 PolarHBondContact O-N 3.01Å; Y205-A228 CarbonylContact O-C 3.53Å; Y205-A228 VanDerWaalsContact O-CA 3.26Å; Y205-A228 WeakPolarHBondContact O-CA 3.12Å; Y205-V229 VanDerWaalsContact CD1-O 3.28Å; Y205-V229 WeakPolarHBondContact CD1-O 3.45Å; Y205-V229 HydrophobicContact CE1-CB 3.93Å; Y205-V229 HydrophobicContact CE1-CG1 4.04Å; Y205-V229 HydrophobicContact CE2-CB 4.17Å; Y205-V229 PolarHBondContact N-O 3.06Å; Y205-V229 PolarHBondContact O-N 3.43Å; Y205-V229 WeakPolarHBondContact OH-CG1 3.39Å; Y205-I281 VanDerWaalsContact C-CD1 3.44Å; Y205-I281 VanDerWaalsContact CA-CD1 3.41Å |
| 206 | F | 87.3 | Confident | 75.1 | Confident | 44 Ų | 44 | 76.7 Ų | 76.7 | 19% | 0.193 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.7 | 174.4 | -65 | -66.7 | 0 | 0 | 0 | 110.1 | P209 C226 V227 A228 A274 I281 A283 | F206-P209 HydrophobicContact CB-CB 4.05Å; F206-P209 HydrophobicContact CG-CB 4.32Å; F206-C226 WeakPolarHBondContact CE1-SG 3.13Å; F206-V227 CarbonylContact C-O 3.58Å; F206-V227 WeakPolarHBondContact CA-O 3.39Å; F206-A228 HydrophobicContact CD1-CB 3.87Å; F206-A228 HydrophobicContact CE1-CB 4.22Å; F206-A274 HydrophobicContact CE1-CB 3.81Å; F206-A274 HydrophobicContact CZ-CB 4.25Å; F206-I281 HydrophobicContact CD1-CD1 4.01Å; F206-I281 HydrophobicContact CD2-CD1 3.5Å; F206-I281 HydrophobicContact CD2-CG1 4.1Å; F206-I281 HydrophobicContact CE1-CD1 3.99Å; F206-I281 HydrophobicContact CE1-CG1 4.16Å; F206-I281 HydrophobicContact CE2-CB 3.96Å; F206-I281 HydrophobicContact CE2-CD1 3.49Å; F206-I281 VanDerWaalsContact CE2-CD1 3.49Å; F206-I281 HydrophobicContact CE2-CG1 3.54Å; F206-I281 HydrophobicContact CG-CD1 3.76Å; F206-I281 HydrophobicContact CZ-CB 4.36Å; F206-I281 HydrophobicContact CZ-CD1 3.75Å; F206-I281 HydrophobicContact CZ-CG1 3.58Å; F206-A283 HydrophobicContact CD2-CB 3.92Å; F206-A283 HydrophobicContact CE1-CB 4.46Å; F206-A283 HydrophobicContact CE2-CB 3.45Å; F206-A283 VanDerWaalsContact CE2-CB 3.45Å; F206-A283 HydrophobicContact CZ-CB 3.76Å |
| 207 | S | 77.9 | Confident | 74.4 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 46% | 0.462 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -30.7 | 169.8 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | Y205 V227 | Y205-S207 PolarHBondContact O-N 3.01Å; S207-V227 PolarHBondContact N-O 3.33Å; S207-V227 VanDerWaalsContact OG-CG1 3.25Å; S207-V227 WeakPolarHBondContact OG-CG1 3.36Å; S207-V227 PolarHBondContact OG-O 2.79Å |
| 208 | R | 85 | Confident | 74.1 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 50% | 0.502 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 92.7 | 166.5 | -176.8 | -179.1 | -178.9 | 169.7 | 2.4 | 108.2 | V227 | R208-V227 HydrophobicContact CB-CB 3.93Å; R208-V227 HydrophobicContact CB-CG2 3.89Å; R208-V227 PolarHBondContact N-O 2.84Å; R208-V227 VanDerWaalsContact N-O 3.1Å; R208-V227 PolarHBondContact O-N 3.4Å |
| 209 | P | 83.6 | Confident | 74.7 | Confident | 73 Ų | 73 | 76 Ų | 76 | 47% | 0.474 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 157.3 | 169.5 | 29.9 | -34.8 | 0 | 0 | 0 | 109.9 | F206 A283 | F206-P209 HydrophobicContact CB-CB 4.05Å; F206-P209 HydrophobicContact CG-CB 4.32Å; P209-A283 HydrophobicContact CB-CB 4.42Å |
| 210 | P | 84.8 | Confident | 75.5 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 7% | 0.065 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 154.9 | 172.3 | 30.7 | -35.7 | 0 | 0 | 0 | 111.1 | W238 C272 A283 T285 | P210-W238 HydrophobicContact CB-CH2 3.71Å; P210-W238 HydrophobicContact CB-CZ2 4.48Å; P210-W238 HydrophobicContact CG-CH2 3.94Å; P210-C272 HydrophobicContact CG-CB 4.2Å; P210-A283 HydrophobicContact CG-CB 4.3Å; P210-T285 HydrophobicContact CB-CG2 4.21Å; P210-T285 HydrophobicContact CG-CG2 4.39Å |
| 211 | E | 81.8 | Confident | 76.8 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 142.3 | 177.4 | -64 | 170 | -147.9 | 0 | 0 | 110.7 | R213 Y214 T285 | E211-R213 PolarHBondContact O-N 2.7Å; E211-R213 VanDerWaalsContact O-N 3.15Å; E211-Y214 HydrophobicContact CB-CD2 4.46Å; E211-Y214 HydrophobicContact CB-CE1 4.05Å; E211-Y214 HydrophobicContact CB-CE2 3.87Å; E211-Y214 HydrophobicContact CG-CE1 4.14Å; E211-Y214 PolarHBondContact N-OH 2.9Å; E211-T285 WeakPolarHBondContact O-CB 3.23Å; E211-T285 PolarHBondContact O-OG1 2.81Å |
| 212 | V | 84.3 | Confident | 78.1 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 73% | 0.733 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -60.3 | -30.9 | -173.5 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | T285 M286 | V212-T285 WeakPolarHBondContact O-CA 3.44Å; V212-M286 PolarHBondContact O-N 2.83Å |
| 213 | R | 83.1 | Confident | 79.6 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 43% | 0.434 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 104.5 | -173.9 | -174.1 | 176.4 | 179.9 | 175.8 | 1.6 | 111.8 | E211 M286 E288 | E211-R213 PolarHBondContact O-N 2.7Å; E211-R213 VanDerWaalsContact O-N 3.15Å; R213-M286 CarbonylContact C-O 3.57Å; R213-M286 VanDerWaalsContact CA-O 3.26Å; R213-M286 WeakPolarHBondContact CA-O 3.42Å; R213-E288 IonicContact CZ-OE1 2.67Å; R213-E288 IonicContact CZ-OE2 2.65Å; R213-E288 IonicContact NE-OE1 3.21Å; R213-E288 IonicContact NE-OE2 3.04Å; R213-E288 PolarHBondContact NE-OE2 2.9Å; R213-E288 IonicContact NH2-OE1 2.96Å; R213-E288 PolarHBondContact NH2-OE1 2.86Å; R213-E288 IonicContact NH2-OE2 2.72Å; R213-E288 PolarHBondContact NH2-OE2 3.44Å |
| 214 | Y | 84.3 | Confident | 80.4 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 143 | 169.8 | -66.5 | -86.4 | 0 | 0 | 0 | 110.4 | E211 V222 L224 T285 M286 E288 | E211-Y214 HydrophobicContact CB-CD2 4.46Å; E211-Y214 HydrophobicContact CB-CE1 4.05Å; E211-Y214 HydrophobicContact CB-CE2 3.87Å; E211-Y214 HydrophobicContact CG-CE1 4.14Å; E211-Y214 PolarHBondContact N-OH 2.9Å; Y214-V222 HydrophobicContact CD1-CG2 3.73Å; Y214-V222 HydrophobicContact CE1-CG2 4.42Å; Y214-V222 HydrophobicContact CG-CG2 4.04Å; Y214-L224 HydrophobicContact CD1-CD2 4.46Å; Y214-L224 HydrophobicContact CD2-CD2 3.46Å; Y214-L224 VanDerWaalsContact CD2-CD2 3.46Å; Y214-L224 HydrophobicContact CE2-CB 4.39Å; Y214-L224 HydrophobicContact CE2-CD2 3.62Å; Y214-L224 HydrophobicContact CG-CD2 3.91Å; Y214-T285 VanDerWaalsContact CD2-OG1 3.23Å; Y214-T285 WeakPolarHBondContact CD2-OG1 3.28Å; Y214-T285 HydrophobicContact CE2-CG2 4.41Å; Y214-T285 WeakPolarHBondContact CE2-OG1 3.45Å; Y214-M286 PolarHBondContact N-O 3.16Å; Y214-E288 PolarHBondContact O-N 2.92Å |
| 215 | Q | 77 | Confident | 80.7 | Confident | 113 Ų | 113 | 65.1 Ų | 65.1 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.6 | 178.7 | -62 | 177.9 | 44.9 | 0 | 0 | 109.2 | K290 | Q215-K290 HydrophobicContact CB-CD 4.16Å; Q215-K290 VanDerWaalsContact CD-CE 3.46Å; Q215-K290 VanDerWaalsContact CD-NZ 3.32Å; Q215-K290 HydrophobicContact CG-CD 3.98Å |
| 216 | V | 74.3 | Confident | 80.9 | Confident | 15 Ų | 15 | 59.3 Ų | 59.3 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.2 | -175.7 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | V264 V287 E288 V289 K290 | V216-V264 HydrophobicContact CG1-CB 3.86Å; V216-V264 HydrophobicContact CG1-CG1 3.9Å; V216-V264 HydrophobicContact CG1-CG2 4.35Å; V216-V287 HydrophobicContact CG1-CG1 3.96Å; V216-E288 PolarHBondContact N-O 2.84Å; V216-V289 HydrophobicContact CG1-CG2 4.07Å; V216-V289 WeakPolarHBondContact O-CA 3.42Å; V216-K290 PolarHBondContact O-N 2.85Å; V216-K290 VanDerWaalsContact O-N 3.15Å |
| 217 | M | 64 | Low | 81 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 41% | 0.409 | 33% | 0.325 | S | S | . | . | trans | -71.3 | 154.4 | 173.6 | -67.9 | -71.9 | -74.7 | 0 | 0 | 110.5 | G219 G220 I292 V373 | M217-G219 PolarHBondContact O-N 3.23Å; M217-G219 VanDerWaalsContact O-N 3.15Å; M217-G220 PolarHBondContact O-N 2.83Å; M217-I292 HydrophobicContact CE-CD1 3.83Å; M217-I292 HydrophobicContact CE-CG1 3.92Å; M217-V373 HydrophobicContact SD-CG1 3.96Å | ||
| 218 | P | 70.5 | Confident | 81.3 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 120.3 | 172.8 | -24 | 32.1 | 0 | 0 | 0 | 111.6 | G220 V289 K290 | P218-G220 VanDerWaalsContact C-N 3.34Å; P218-V289 HydrophobicContact CB-CG1 4.1Å; P218-V289 HydrophobicContact CG-CG1 3.67Å; P218-K290 WeakPolarHBondContact CD-O 3.19Å |
| 219 | G | 70.3 | Confident | 80.9 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 2.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | M217 R263 V264 | M217-G219 PolarHBondContact O-N 3.23Å; M217-G219 VanDerWaalsContact O-N 3.15Å; G219-R263 WeakPolarHBondContact O-CA 2.99Å; G219-V264 PolarHBondContact N-O 3.48Å |
| 220 | G | 70.5 | Confident | 80.3 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | trans | -70 | -179.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M217 P218 R263 V264 | M217-G220 PolarHBondContact O-N 2.83Å; P218-G220 VanDerWaalsContact C-N 3.34Å; G220-R263 CarbonylContact O-C 3.54Å; G220-R263 WeakPolarHBondContact O-CA 3.34Å; G220-R263 PolarHBondContact O-N 3.38Å; G220-V264 PolarHBondContact O-N 2.91Å | ||
| 221 | S | 80.7 | Confident | 79.3 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 53% | 0.531 | 28% | 0.278 | S | S | . | . | trans | -134.6 | 149.9 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | L261 K262 R263 | S221-L261 CarbonylContact C-O 3.58Å; S221-L261 WeakPolarHBondContact CA-O 3.18Å; S221-L261 WeakPolarHBondContact CB-O 3.34Å; S221-K262 WeakPolarHBondContact OG-CA 3.23Å; S221-R263 PolarHBondContact OG-N 2.82Å | ||
| 222 | V | 85.4 | Confident | 78.6 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 143.8 | -176.7 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | Y214 L224 L261 V264 V287 | Y214-V222 HydrophobicContact CD1-CG2 3.73Å; Y214-V222 HydrophobicContact CE1-CG2 4.42Å; Y214-V222 HydrophobicContact CG-CG2 4.04Å; V222-L224 HydrophobicContact CG1-CD2 3.98Å; V222-L224 HydrophobicContact CG2-CD2 4.06Å; V222-L261 HydrophobicContact CG1-CB 4.03Å; V222-L261 HydrophobicContact CG1-CD1 4.23Å; V222-L261 PolarHBondContact N-O 2.72Å; V222-L261 WeakPolarHBondContact O-CB 3.44Å; V222-L261 PolarHBondContact O-N 3Å; V222-V264 HydrophobicContact CG1-CG2 4.32Å; V222-V287 HydrophobicContact CG1-CG1 3.95Å |
| 223 | N | 89.1 | Confident | 78.1 | Confident | 91 Ų | 91 | 42.4 Ų | 42.4 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 109 | 178.5 | -67.2 | -14 | 0 | 0 | 0 | 109.8 | T225 T258 L259 | N223-T225 PolarHBondContact O-N 2.98Å; N223-T258 HydrophobicContact CB-CG2 3.99Å; N223-L259 WeakPolarHBondContact CA-O 3.37Å |
| 224 | L | 90.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 110.9 | 176.8 | -36.6 | -176.7 | 0 | 0 | 0 | 108.4 | Y214 V222 W238 T258 L259 L261 Y270 T285 V287 | Y214-L224 HydrophobicContact CD1-CD2 4.46Å; Y214-L224 HydrophobicContact CD2-CD2 3.46Å; Y214-L224 VanDerWaalsContact CD2-CD2 3.46Å; Y214-L224 HydrophobicContact CE2-CB 4.39Å; Y214-L224 HydrophobicContact CE2-CD2 3.62Å; Y214-L224 HydrophobicContact CG-CD2 3.91Å; V222-L224 HydrophobicContact CG1-CD2 3.98Å; V222-L224 HydrophobicContact CG2-CD2 4.06Å; L224-W238 HydrophobicContact CB-CH2 3.46Å; L224-W238 VanDerWaalsContact CB-CH2 3.46Å; L224-W238 HydrophobicContact CB-CZ2 3.6Å; L224-W238 HydrophobicContact CB-CZ3 4.15Å; L224-W238 HydrophobicContact CD1-CE3 4.49Å; L224-W238 HydrophobicContact CD1-CH2 4.12Å; L224-W238 HydrophobicContact CD1-CZ3 3.97Å; L224-W238 HydrophobicContact CG-CH2 4.46Å; L224-W238 VanDerWaalsContact O-CZ2 3.22Å; L224-W238 WeakPolarHBondContact O-CZ2 3.48Å; L224-T258 CarbonylContact O-C 3.6Å; L224-T258 VanDerWaalsContact O-CA 3.26Å; L224-T258 WeakPolarHBondContact O-CA 3.3Å; L224-L259 HydrophobicContact CB-CB 4.23Å; L224-L259 HydrophobicContact CD1-CD2 3.98Å; L224-L259 HydrophobicContact CG-CB 4.4Å; L224-L259 PolarHBondContact N-O 3.36Å; L224-L259 PolarHBondContact O-N 2.6Å; L224-L261 HydrophobicContact CD1-CD1 3.89Å; L224-L261 HydrophobicContact CD2-CD1 4.39Å; L224-L261 HydrophobicContact CG-CD1 4.14Å; L224-Y270 HydrophobicContact CD1-CD1 4.38Å; L224-Y270 HydrophobicContact CD1-CD2 4.02Å; L224-Y270 HydrophobicContact CD1-CG 3.78Å; L224-T285 HydrophobicContact CD1-CG2 3.97Å; L224-V287 HydrophobicContact CD1-CG2 3.79Å; L224-V287 HydrophobicContact CD2-CG2 3.59Å; L224-V287 HydrophobicContact CG-CG2 4.32Å |
| 225 | T | 88.4 | Confident | 78.3 | Confident | 31 Ų | 31 | 39 Ų | 39 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133 | -178.7 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | N223 V227 T258 | N223-T225 PolarHBondContact O-N 2.98Å; T225-V227 HydrophobicContact CG2-CG2 4.48Å; T225-T258 PolarHBondContact OG1-OG1 2.79Å |
| 226 | C | 87.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134.4 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | F206 V236 W238 V256 N257 C272 | F206-C226 WeakPolarHBondContact CE1-SG 3.13Å; C226-V236 HydrophobicContact CB-CG1 4.36Å; C226-W238 HydrophobicContact CB-CH2 4.33Å; C226-W238 HydrophobicContact CB-CZ2 3.64Å; C226-V256 WeakPolarHBondContact O-CA 3.19Å; C226-N257 PolarHBondContact N-O 2.74Å; C226-N257 PolarHBondContact O-N 2.91Å; C226-C272 HydrophobicContact CB-CB 3.72Å; C226-C272 WeakPolarHBondContact CB-SG 3.38Å; C226-C272 WeakPolarHBondContact SG-CB 3.49Å; C226-C272 CovalentContact SG-SG 2.03Å; C226-C272 PolarHBondContact SG-SG 3.34Å |
| 227 | V | 88.6 | Confident | 79.7 | Confident | 36 Ų | 36 | 33.3 Ų | 33.3 | 22% | 0.218 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.7 | 178.4 | -164.9 | 0 | 0 | 0 | 0 | 110.4 | F206 S207 R208 T225 G255 V256 | F206-V227 CarbonylContact C-O 3.58Å; F206-V227 WeakPolarHBondContact CA-O 3.39Å; S207-V227 PolarHBondContact N-O 3.33Å; S207-V227 VanDerWaalsContact OG-CG1 3.25Å; S207-V227 WeakPolarHBondContact OG-CG1 3.36Å; S207-V227 PolarHBondContact OG-O 2.79Å; R208-V227 HydrophobicContact CB-CB 3.93Å; R208-V227 HydrophobicContact CB-CG2 3.89Å; R208-V227 PolarHBondContact N-O 2.84Å; R208-V227 VanDerWaalsContact N-O 3.1Å; R208-V227 PolarHBondContact O-N 3.4Å; T225-V227 HydrophobicContact CG2-CG2 4.48Å; V227-G255 CarbonylContact C-O 3.56Å; V227-G255 VanDerWaalsContact CA-O 3.3Å; V227-G255 WeakPolarHBondContact CA-O 3.48Å; V227-G255 VanDerWaalsContact CG1-O 3.3Å; V227-G255 WeakPolarHBondContact CG1-O 3.11Å; V227-V256 HydrophobicContact CG1-CB 4.39Å; V227-V256 HydrophobicContact CG2-CB 4.34Å; V227-V256 HydrophobicContact CG2-CG2 3.98Å |
| 228 | A | 84.2 | Confident | 81 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y205 F206 M233 P234 V236 G255 A274 | Y205-A228 CarbonylContact O-C 3.53Å; Y205-A228 VanDerWaalsContact O-CA 3.26Å; Y205-A228 WeakPolarHBondContact O-CA 3.12Å; F206-A228 HydrophobicContact CD1-CB 3.87Å; F206-A228 HydrophobicContact CE1-CB 4.22Å; A228-M233 WeakPolarHBondContact O-CE 3.43Å; A228-P234 HydrophobicContact CB-CG 3.75Å; A228-V236 HydrophobicContact CB-CG2 3.91Å; A228-G255 PolarHBondContact N-O 2.92Å; A228-G255 WeakPolarHBondContact O-CA 3.3Å; A228-G255 VanDerWaalsContact O-O 3.13Å; A228-A274 HydrophobicContact CB-CB 3.36Å |
| 229 | V | 75.6 | Confident | 82 | Confident | 41 Ų | 41 | 28 Ų | 28 | 25% | 0.248 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.4 | -174.7 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | P204 Y205 M233 | P204-V229 CarbonylContact C-O 3.58Å; P204-V229 WeakPolarHBondContact CA-O 3.32Å; Y205-V229 VanDerWaalsContact CD1-O 3.28Å; Y205-V229 WeakPolarHBondContact CD1-O 3.45Å; Y205-V229 HydrophobicContact CE1-CB 3.93Å; Y205-V229 HydrophobicContact CE1-CG1 4.04Å; Y205-V229 HydrophobicContact CE2-CB 4.17Å; Y205-V229 PolarHBondContact N-O 3.06Å; Y205-V229 PolarHBondContact O-N 3.43Å; Y205-V229 WeakPolarHBondContact OH-CG1 3.39Å; V229-M233 HydrophobicContact CG1-SD 4.32Å; V229-M233 HydrophobicContact CG2-CE 4.18Å |
| 230 | G | 71.4 | Confident | 82.8 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | 178.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | P232 M233 | G230-P232 VanDerWaalsContact C-C 3.49Å; G230-P232 CarbonylContact C-O 3.55Å; G230-P232 CarbonylContact O-C 3.21Å; G230-M233 PolarHBondContact O-N 2.99Å |
| 231 | H | 64.1 | Low | 83 | Confident | 38 Ų | 38 | 31.2 Ų | 31.2 | 18% | 0.176 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 96.9 | 173.7 | -161.7 | 67.4 | 0 | 0 | 0 | 110.4 | R200 R201 V202 L278 | R200-H231 PolarHBondContact O-CD2 3.09Å; R201-H231 VanDerWaalsContact CA-O 3.31Å; R201-H231 WeakPolarHBondContact CA-O 3.24Å; V202-H231 HydrophobicContact CB-CB 4.04Å; V202-H231 HydrophobicContact CG2-CB 4.21Å; V202-H231 PolarHBondContact N-O 3.05Å; V202-H231 PolarHBondContact O-N 3.03Å; H231-L278 WeakPolarHBondContact O-CD1 3.43Å |
| 232 | P | 66.9 | Low | 82.2 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | S | Bend | cis | -67.2 | 156.6 | 7 | 29.2 | -35.6 | 0 | 0 | 0 | 113.9 | G230 N277 | G230-P232 VanDerWaalsContact C-C 3.49Å; G230-P232 CarbonylContact C-O 3.55Å; G230-P232 CarbonylContact O-C 3.21Å; P232-N277 VanDerWaalsContact CG-OD1 3.22Å; P232-N277 WeakPolarHBondContact CG-OD1 3.45Å |
| 233 | M | 75 | Confident | 81.2 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 28% | 0.281 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -59.3 | 133.4 | 179.5 | -161.6 | 67.4 | 171.4 | 0 | 0 | 110.2 | A228 V229 G230 | A228-M233 WeakPolarHBondContact O-CE 3.43Å; V229-M233 HydrophobicContact CG1-SD 4.32Å; V229-M233 HydrophobicContact CG2-CE 4.18Å; G230-M233 PolarHBondContact O-N 2.99Å |
| 234 | P | 82.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 148 | -179.4 | 28.1 | -34.3 | 0 | 0 | 0 | 112.1 | P204 A228 Y254 G255 A274 F275 | P204-P234 HydrophobicContact CB-CB 3.97Å; P204-P234 HydrophobicContact CB-CG 4.24Å; P204-P234 HydrophobicContact CG-CB 3.99Å; A228-P234 HydrophobicContact CB-CG 3.75Å; P234-Y254 WeakPolarHBondContact O-CA 3.29Å; P234-G255 PolarHBondContact O-N 2.96Å; P234-A274 HydrophobicContact CB-CB 4.24Å; P234-F275 CarbonylContact C-O 3.52Å; P234-F275 WeakPolarHBondContact CA-O 3.47Å; P234-F275 WeakPolarHBondContact CB-O 3.39Å |
| 235 | W | 87.8 | Confident | 80.4 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 25% | 0.25 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 141.3 | 156.7 | -69 | -94.6 | 0 | 0 | 0 | 108.8 | A252 Y254 A274 F275 | W235-A252 HydrophobicContact CB-CB 4.15Å; W235-Y254 AromaticContact CD1-CE1 3.94Å; W235-Y254 HydrophobicContact CD2-CD1 4.36Å; W235-Y254 AromaticContact CD2-CE1 3.7Å; W235-Y254 HydrophobicContact CD2-CE1 3.7Å; W235-Y254 AromaticContact CE2-CE1 3.42Å; W235-Y254 VanDerWaalsContact CE2-CE1 3.42Å; W235-Y254 AromaticContact CE2-CZ 3.62Å; W235-Y254 HydrophobicContact CE3-CE1 4.3Å; W235-Y254 HydrophobicContact CG-CD1 4.32Å; W235-Y254 HydrophobicContact CG-CE1 4.04Å; W235-Y254 HydrophobicContact CH2-CE1 4.41Å; W235-Y254 AromaticContact CZ2-CE1 3.83Å; W235-Y254 HydrophobicContact CZ2-CE1 3.83Å; W235-Y254 AromaticContact CZ2-CZ 3.85Å; W235-Y254 WeakPolarHBondContact CZ2-OH 3.48Å; W235-Y254 AromaticContact NE1-CE1 3.55Å; W235-Y254 AromaticContact NE1-CZ 3.49Å; W235-Y254 PolarHBondContact NE1-OH 2.58Å; W235-A274 CarbonylContact O-C 3.53Å; W235-A274 VanDerWaalsContact O-CA 3.26Å; W235-A274 WeakPolarHBondContact O-CA 3.07Å; W235-F275 HydrophobicContact CB-CD1 3.76Å; W235-F275 HydrophobicContact CB-CD2 4.45Å; W235-F275 HydrophobicContact CB-CE1 3.3Å; W235-F275 HydrophobicContact CB-CE2 4.05Å; W235-F275 HydrophobicContact CB-CG 4.33Å; W235-F275 HydrophobicContact CB-CZ 3.46Å; W235-F275 VanDerWaalsContact CB-CZ 3.46Å; W235-F275 AromaticContact CD2-CE2 3.85Å; W235-F275 HydrophobicContact CD2-CE2 3.85Å; W235-F275 AromaticContact CD2-CZ 3.92Å; W235-F275 HydrophobicContact CD2-CZ 3.92Å; W235-F275 AromaticContact CE3-CD2 3.97Å; W235-F275 HydrophobicContact CE3-CD2 3.97Å; W235-F275 AromaticContact CE3-CE2 3.6Å; W235-F275 HydrophobicContact CE3-CE2 3.6Å; W235-F275 HydrophobicContact CE3-CZ 4.14Å; W235-F275 HydrophobicContact CG-CE1 4.05Å; W235-F275 HydrophobicContact CG-CE2 4.08Å; W235-F275 AromaticContact CG-CZ 3.66Å; W235-F275 HydrophobicContact CG-CZ 3.66Å; W235-F275 HydrophobicContact CZ3-CE2 4.28Å; W235-F275 PolarHBondContact N-O 3.47Å; W235-F275 PolarHBondContact O-N 3.22Å |
| 236 | V | 90.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 118 | -177.1 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | C226 A228 P253 N257 C272 V273 A274 | C226-V236 HydrophobicContact CB-CG1 4.36Å; A228-V236 HydrophobicContact CB-CG2 3.91Å; V236-P253 PolarHBondContact N-O 2.77Å; V236-P253 WeakPolarHBondContact O-CD 3.5Å; V236-N257 HydrophobicContact CB-CB 4.21Å; V236-N257 HydrophobicContact CG1-CB 3.91Å; V236-N257 WeakPolarHBondContact O-CB 3.23Å; V236-N257 PolarHBondContact O-ND2 3.22Å; V236-C272 VanDerWaalsContact CG1-SG 3.54Å; V236-V273 WeakPolarHBondContact CA-O 3.17Å; V236-A274 HydrophobicContact CG2-CB 3.99Å |
| 237 | F | 91.2 | Very high | 79.6 | Confident | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 164.6 | -179.5 | 71.3 | -95.8 | 0 | 0 | 0 | 113.2 | D245 E247 A249 A252 V273 F275 | F237-D245 HydrophobicContact CD2-CB 4.41Å; F237-D245 HydrophobicContact CE2-CB 4.09Å; F237-D245 VanDerWaalsContact CE2-CG 3.47Å; F237-D245 WeakPolarHBondContact CE2-OD1 3.46Å; F237-E247 WeakPolarHBondContact CA-OE1 3.4Å; F237-E247 HydrophobicContact CB-CG 3.66Å; F237-E247 WeakPolarHBondContact CB-OE1 3.42Å; F237-A249 HydrophobicContact CD1-CB 4.39Å; F237-A249 HydrophobicContact CE1-CB 4.21Å; F237-A252 HydrophobicContact CB-CB 3.9Å; F237-V273 HydrophobicContact CD1-CB 4.05Å; F237-V273 HydrophobicContact CD1-CG1 4.27Å; F237-V273 HydrophobicContact CD2-CB 4.1Å; F237-V273 HydrophobicContact CD2-CG2 4.34Å; F237-V273 HydrophobicContact CE1-CB 3.71Å; F237-V273 HydrophobicContact CE1-CG1 3.54Å; F237-V273 HydrophobicContact CE2-CB 3.72Å; F237-V273 HydrophobicContact CE2-CG1 4.2Å; F237-V273 HydrophobicContact CE2-CG2 3.75Å; F237-V273 HydrophobicContact CG-CB 4.26Å; F237-V273 HydrophobicContact CZ-CB 3.54Å; F237-V273 HydrophobicContact CZ-CG1 3.5Å; F237-V273 HydrophobicContact CZ-CG2 3.9Å; F237-V273 PolarHBondContact N-O 3.36Å; F237-V273 PolarHBondContact O-N 2.78Å; F237-F275 AromaticContact CD1-CD1 3.76Å; F237-F275 HydrophobicContact CD1-CD1 3.76Å; F237-F275 AromaticContact CD1-CE1 3.68Å; F237-F275 HydrophobicContact CD1-CE1 3.68Å; F237-F275 AromaticContact CE1-CD1 3.57Å; F237-F275 HydrophobicContact CE1-CD1 3.57Å; F237-F275 AromaticContact CE1-CE1 3.71Å; F237-F275 HydrophobicContact CE1-CE1 3.71Å |
| 238 | W | 91.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.4 | 177.8 | -75 | 97 | 0 | 0 | 0 | 112.3 | P210 L224 C226 M246 N257 L259 C272 T285 | P210-W238 HydrophobicContact CB-CH2 3.71Å; P210-W238 HydrophobicContact CB-CZ2 4.48Å; P210-W238 HydrophobicContact CG-CH2 3.94Å; L224-W238 HydrophobicContact CB-CH2 3.46Å; L224-W238 VanDerWaalsContact CB-CH2 3.46Å; L224-W238 HydrophobicContact CB-CZ2 3.6Å; L224-W238 HydrophobicContact CB-CZ3 4.15Å; L224-W238 HydrophobicContact CD1-CE3 4.49Å; L224-W238 HydrophobicContact CD1-CH2 4.12Å; L224-W238 HydrophobicContact CD1-CZ3 3.97Å; L224-W238 HydrophobicContact CG-CH2 4.46Å; L224-W238 VanDerWaalsContact O-CZ2 3.22Å; L224-W238 WeakPolarHBondContact O-CZ2 3.48Å; C226-W238 HydrophobicContact CB-CH2 4.33Å; C226-W238 HydrophobicContact CB-CZ2 3.64Å; W238-M246 HydrophobicContact CB-SD 4.31Å; W238-M246 WeakPolarHBondContact O-CB 3.36Å; W238-M246 PolarHBondContact O-N 2.92Å; W238-N257 VanDerWaalsContact CD1-CG 3.49Å; W238-N257 PolarHBondContact NE1-O 2.92Å; W238-L259 HydrophobicContact CB-CD1 4.41Å; W238-L259 HydrophobicContact CB-CD2 4.26Å; W238-L259 HydrophobicContact CD2-CB 3.95Å; W238-L259 HydrophobicContact CD2-CD2 4.26Å; W238-L259 HydrophobicContact CE3-CD2 4.38Å; W238-L259 HydrophobicContact CG-CB 3.85Å; W238-L259 HydrophobicContact CG-CD2 4.22Å; W238-L259 HydrophobicContact CG-CG 4.43Å; W238-C272 HydrophobicContact CD2-CB 4.41Å; W238-C272 HydrophobicContact CE3-CB 4.15Å; W238-C272 HydrophobicContact CH2-CB 3.98Å; W238-C272 HydrophobicContact CZ2-CB 4.2Å; W238-C272 HydrophobicContact CZ3-CB 3.94Å; W238-T285 HydrophobicContact CH2-CG2 4.17Å; W238-T285 HydrophobicContact CZ3-CG2 3.89Å |
| 239 | R | 90.7 | Very high | 78 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 15% | 0.151 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.7 | 173.3 | 172.4 | -175 | -64.7 | 141.6 | 9.7 | 109.8 | E244 D245 Y270 T271 V273 E282 | R239-E244 CarbonylContact C-O 3.57Å; R239-E244 WeakPolarHBondContact CA-O 3.42Å; R239-D245 IonicContact CZ-OD1 2.75Å; R239-D245 IonicContact NE-OD1 3.14Å; R239-D245 PolarHBondContact NE-OD1 3.28Å; R239-D245 IonicContact NH2-OD1 3.25Å; R239-D245 PolarHBondContact NH2-OD1 2.9Å; R239-D245 VanDerWaalsContact NH2-OD1 3.07Å; R239-D245 IonicContact NH2-OD2 3.81Å; R239-Y270 CarbonylContact O-C 3.55Å; R239-Y270 WeakPolarHBondContact O-CA 3.19Å; R239-T271 PolarHBondContact N-O 3.41Å; R239-T271 PolarHBondContact O-N 3.32Å; R239-V273 HydrophobicContact CB-CG2 4.39Å; R239-E282 IonicContact CZ-OE1 3.18Å; R239-E282 VanDerWaalsContact NH1-CD 3.32Å; R239-E282 IonicContact NH1-OE1 3.9Å; R239-E282 PolarHBondContact NH1-OE1 2.84Å; R239-E282 IonicContact NH1-OE2 3.55Å; R239-E282 PolarHBondContact NH1-OE2 3.47Å |
| 240 | R | 88.4 | Confident | 77.7 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.1 | 172.5 | -165.1 | -177.1 | -166 | 145.6 | 12 | 109.6 | N242 G243 E244 M246 E268 Y270 | R240-N242 PolarHBondContact O-N 3.43Å; R240-G243 PolarHBondContact O-N 2.9Å; R240-E244 HydrophobicContact CB-CB 4.31Å; R240-E244 PolarHBondContact N-O 3.27Å; R240-E244 PolarHBondContact O-N 2.97Å; R240-M246 HydrophobicContact CB-CG 4.05Å; R240-M246 HydrophobicContact CB-SD 4.06Å; R240-E268 IonicContact CZ-OE2 3.56Å; R240-E268 VanDerWaalsContact CZ-OE2 3.23Å; R240-E268 VanDerWaalsContact NE-CD 3.33Å; R240-E268 IonicContact NE-OE1 2.7Å; R240-E268 PolarHBondContact NE-OE1 2.87Å; R240-E268 IonicContact NE-OE2 3.57Å; R240-E268 PolarHBondContact NE-OE2 3.03Å; R240-E268 IonicContact NH2-OE1 2.6Å; R240-E268 IonicContact NH2-OE2 2.72Å; R240-E268 PolarHBondContact NH2-OE2 3.2Å; R240-Y270 HydrophobicContact CG-CE1 4.17Å |
| 241 | G | 73.5 | Confident | 77.6 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 19% | 0.186 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -124.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N269 T271 | G241-N269 WeakPolarHBondContact CA-O 3.27Å; G241-N269 PolarHBondContact N-O 3.1Å; G241-T271 PolarHBondContact O-OG1 3.23Å |
| 242 | N | 63.5 | Low | 78.1 | Confident | 137 Ų | 137 | 58.8 Ų | 58.8 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 12.1 | -175.9 | -65 | 2.7 | 0 | 0 | 0 | 113.5 | R240 Q284 | R240-N242 PolarHBondContact O-N 3.43Å; N242-Q284 PolarHBondContact OD1-NE2 2.72Å |
| 243 | G | 64.8 | Low | 78.7 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 70% | 0.701 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171.8 | 14.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | R240 | R240-G243 PolarHBondContact O-N 2.9Š|
| 244 | E | 78.1 | Confident | 78.9 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 106.1 | 170.9 | -178.3 | 176.3 | -134.6 | 0 | 0 | 109.9 | R239 R240 M246 | R239-E244 CarbonylContact C-O 3.57Å; R239-E244 WeakPolarHBondContact CA-O 3.42Å; R240-E244 HydrophobicContact CB-CB 4.31Å; R240-E244 PolarHBondContact N-O 3.27Å; R240-E244 PolarHBondContact O-N 2.97Å; E244-M246 PolarHBondContact O-N 3.45Å |
| 245 | D | 83.8 | Confident | 78.6 | Confident | 75 Ų | 75 | 60 Ų | 60 | 40% | 0.401 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 123.9 | 175.6 | -63.5 | -13.2 | 0 | 0 | 0 | 108.5 | F237 R239 E247 | F237-D245 HydrophobicContact CD2-CB 4.41Å; F237-D245 HydrophobicContact CE2-CB 4.09Å; F237-D245 VanDerWaalsContact CE2-CG 3.47Å; F237-D245 WeakPolarHBondContact CE2-OD1 3.46Å; R239-D245 IonicContact CZ-OD1 2.75Å; R239-D245 IonicContact NE-OD1 3.14Å; R239-D245 PolarHBondContact NE-OD1 3.28Å; R239-D245 IonicContact NH2-OD1 3.25Å; R239-D245 PolarHBondContact NH2-OD1 2.9Å; R239-D245 VanDerWaalsContact NH2-OD1 3.07Å; R239-D245 IonicContact NH2-OD2 3.81Å; D245-E247 VanDerWaalsContact C-N 3.29Å; D245-E247 PolarHBondContact O-N 3.12Å |
| 246 | M | 82.9 | Confident | 78.6 | Confident | 75 Ų | 75 | 59 Ų | 59 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -82.1 | -10.7 | -169.1 | -59.6 | -174 | 66.8 | 0 | 0 | 113.4 | W238 R240 E244 L259 Y270 | W238-M246 HydrophobicContact CB-SD 4.31Å; W238-M246 WeakPolarHBondContact O-CB 3.36Å; W238-M246 PolarHBondContact O-N 2.92Å; R240-M246 HydrophobicContact CB-CG 4.05Å; R240-M246 HydrophobicContact CB-SD 4.06Å; E244-M246 PolarHBondContact O-N 3.45Å; M246-L259 HydrophobicContact CE-CD1 3.81Å; M246-L259 HydrophobicContact CE-CD2 3.99Å; M246-L259 HydrophobicContact CE-CG 4.5Å; M246-L259 HydrophobicContact SD-CD1 4.13Å; M246-L259 HydrophobicContact SD-CD2 3.69Å; M246-Y270 HydrophobicContact CE-CE1 4.04Å; M246-Y270 HydrophobicContact SD-CD1 3.7Å; M246-Y270 HydrophobicContact SD-CE1 3.73Å |
| 247 | E | 77.1 | Confident | 78.5 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -145 | 159.3 | 178.4 | 60 | -174.3 | -124.6 | 0 | 0 | 108.8 | F237 D245 A249 A252 P253 N257 | F237-E247 WeakPolarHBondContact CA-OE1 3.4Å; F237-E247 HydrophobicContact CB-CG 3.66Å; F237-E247 WeakPolarHBondContact CB-OE1 3.42Å; D245-E247 VanDerWaalsContact C-N 3.29Å; D245-E247 PolarHBondContact O-N 3.12Å; E247-A249 PolarHBondContact O-N 3.3Å; E247-A252 WeakPolarHBondContact OE1-CA 3.35Å; E247-A252 WeakPolarHBondContact OE1-CB 3.21Å; E247-P253 WeakPolarHBondContact OE1-CD 3.1Å; E247-N257 PolarHBondContact OE1-ND2 3.02Å; E247-N257 PolarHBondContact OE2-ND2 3.38Å |
| 248 | D | 73.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | trans | -72.1 | 121.7 | 177.1 | -173.5 | -32.2 | 0 | 0 | 0 | 109.6 | S250 K251 A252 | D248-S250 PolarHBondContact O-N 2.67Å; D248-S250 VanDerWaalsContact OD1-CB 3.32Å; D248-S250 WeakPolarHBondContact OD1-CB 3.29Å; D248-S250 PolarHBondContact OD1-N 2.78Å; D248-S250 PolarHBondContact OD1-OG 2.86Å; D248-S250 PolarHBondContact OD2-OG 3.26Å; D248-K251 HydrophobicContact CB-CB 4.25Å; D248-K251 HydrophobicContact CB-CD 4.4Å; D248-K251 HydrophobicContact CB-CG 4.15Å; D248-K251 CarbonylContact O-C 3.51Å; D248-K251 WeakPolarHBondContact O-CA 3.21Å; D248-K251 WeakPolarHBondContact O-CB 3.43Å; D248-K251 PolarHBondContact O-N 3.48Å; D248-A252 PolarHBondContact O-N 3Å; D248-A252 VanDerWaalsContact O-N 3.12Å | ||
| 249 | A | 66.6 | Low | 78.3 | Confident | 32 Ų | 32 | 63 Ų | 63 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F237 E247 K251 F275 | F237-A249 HydrophobicContact CD1-CB 4.39Å; F237-A249 HydrophobicContact CE1-CB 4.21Å; E247-A249 PolarHBondContact O-N 3.3Å; A249-K251 VanDerWaalsContact C-N 3.29Å; A249-F275 HydrophobicContact CB-CE1 4.1Å; A249-F275 HydrophobicContact CB-CZ 4.22Å; A249-F275 WeakPolarHBondContact O-CZ 3.42Å |
| 250 | S | 67.4 | Low | 78.2 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.5 | 172.4 | 70.4 | 0 | 0 | 0 | 0 | 114.1 | D248 | D248-S250 PolarHBondContact O-N 2.67Å; D248-S250 VanDerWaalsContact OD1-CB 3.32Å; D248-S250 WeakPolarHBondContact OD1-CB 3.29Å; D248-S250 PolarHBondContact OD1-N 2.78Å; D248-S250 PolarHBondContact OD1-OG 2.86Å; D248-S250 PolarHBondContact OD2-OG 3.26Å |
| 251 | K | 69.9 | Low | 78.2 | Confident | 173 Ų | 173 | 64 Ų | 64 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -5.4 | 177.6 | -62.9 | -167.2 | 171.7 | -157.2 | 0 | 114.2 | D248 A249 | D248-K251 HydrophobicContact CB-CB 4.25Å; D248-K251 HydrophobicContact CB-CD 4.4Å; D248-K251 HydrophobicContact CB-CG 4.15Å; D248-K251 CarbonylContact O-C 3.51Å; D248-K251 WeakPolarHBondContact O-CA 3.21Å; D248-K251 WeakPolarHBondContact O-CB 3.43Å; D248-K251 PolarHBondContact O-N 3.48Å; A249-K251 VanDerWaalsContact C-N 3.29Å |
| 252 | A | 74 | Confident | 78.6 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 139.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W235 F237 E247 D248 | W235-A252 HydrophobicContact CB-CB 4.15Å; F237-A252 HydrophobicContact CB-CB 3.9Å; E247-A252 WeakPolarHBondContact OE1-CA 3.35Å; E247-A252 WeakPolarHBondContact OE1-CB 3.21Å; D248-A252 PolarHBondContact O-N 3Å; D248-A252 VanDerWaalsContact O-N 3.12Å |
| 253 | P | 80.3 | Confident | 79.5 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 151 | 177.8 | 29 | -36.5 | 0 | 0 | 0 | 111.9 | V236 E247 V256 N257 | V236-P253 PolarHBondContact N-O 2.77Å; V236-P253 WeakPolarHBondContact O-CD 3.5Å; E247-P253 WeakPolarHBondContact OE1-CD 3.1Å; P253-V256 WeakPolarHBondContact CB-O 3.09Å; P253-V256 WeakPolarHBondContact CG-O 3.24Å; P253-N257 HydrophobicContact CG-CB 3.74Å |
| 254 | Y | 79.8 | Confident | 80.3 | Confident | 59 Ų | 59 | 71.5 Ų | 71.5 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 128.2 | 173.4 | -73.3 | -71.7 | 0 | 0 | 0 | 111 | P234 W235 V256 R790 F802 | P234-Y254 WeakPolarHBondContact O-CA 3.29Å; W235-Y254 AromaticContact CD1-CE1 3.94Å; W235-Y254 HydrophobicContact CD2-CD1 4.36Å; W235-Y254 AromaticContact CD2-CE1 3.7Å; W235-Y254 HydrophobicContact CD2-CE1 3.7Å; W235-Y254 AromaticContact CE2-CE1 3.42Å; W235-Y254 VanDerWaalsContact CE2-CE1 3.42Å; W235-Y254 AromaticContact CE2-CZ 3.62Å; W235-Y254 HydrophobicContact CE3-CE1 4.3Å; W235-Y254 HydrophobicContact CG-CD1 4.32Å; W235-Y254 HydrophobicContact CG-CE1 4.04Å; W235-Y254 HydrophobicContact CH2-CE1 4.41Å; W235-Y254 AromaticContact CZ2-CE1 3.83Å; W235-Y254 HydrophobicContact CZ2-CE1 3.83Å; W235-Y254 AromaticContact CZ2-CZ 3.85Å; W235-Y254 WeakPolarHBondContact CZ2-OH 3.48Å; W235-Y254 AromaticContact NE1-CE1 3.55Å; W235-Y254 AromaticContact NE1-CZ 3.49Å; W235-Y254 PolarHBondContact NE1-OH 2.58Å; Y254-V256 PolarHBondContact O-N 3.03Å; Y254-R790 PolarHBondContact OH-NH1 3.12Å; Y254-F802 HydrophobicContact CE2-CD2 4.01Å; Y254-F802 HydrophobicContact CE2-CE2 4.39Å |
| 255 | G | 76.3 | Confident | 80.3 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 77.3 | -34.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | V227 A228 P234 | V227-G255 CarbonylContact C-O 3.56Å; V227-G255 VanDerWaalsContact CA-O 3.3Å; V227-G255 WeakPolarHBondContact CA-O 3.48Å; V227-G255 VanDerWaalsContact CG1-O 3.3Å; V227-G255 WeakPolarHBondContact CG1-O 3.11Å; A228-G255 PolarHBondContact N-O 2.92Å; A228-G255 WeakPolarHBondContact O-CA 3.3Å; A228-G255 VanDerWaalsContact O-O 3.13Å; P234-G255 PolarHBondContact O-N 2.96Å |
| 256 | V | 86.4 | Confident | 80 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.1 | -177.6 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | C226 V227 P253 Y254 | C226-V256 WeakPolarHBondContact O-CA 3.19Å; V227-V256 HydrophobicContact CG1-CB 4.39Å; V227-V256 HydrophobicContact CG2-CB 4.34Å; V227-V256 HydrophobicContact CG2-CG2 3.98Å; P253-V256 WeakPolarHBondContact CB-O 3.09Å; P253-V256 WeakPolarHBondContact CG-O 3.24Å; Y254-V256 PolarHBondContact O-N 3.03Å |
| 257 | N | 89.4 | Confident | 80.1 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.8 | 172.2 | -165.1 | -27.2 | 0 | 0 | 0 | 111.4 | C226 V236 W238 E247 P253 | C226-N257 PolarHBondContact N-O 2.74Å; C226-N257 PolarHBondContact O-N 2.91Å; V236-N257 HydrophobicContact CB-CB 4.21Å; V236-N257 HydrophobicContact CG1-CB 3.91Å; V236-N257 WeakPolarHBondContact O-CB 3.23Å; V236-N257 PolarHBondContact O-ND2 3.22Å; W238-N257 VanDerWaalsContact CD1-CG 3.49Å; W238-N257 PolarHBondContact NE1-O 2.92Å; E247-N257 PolarHBondContact OE1-ND2 3.02Å; E247-N257 PolarHBondContact OE2-ND2 3.38Å; P253-N257 HydrophobicContact CG-CB 3.74Å |
| 258 | T | 89.8 | Confident | 80.5 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 104.4 | -177.8 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | N223 L224 T225 K260 | N223-T258 HydrophobicContact CB-CG2 3.99Å; L224-T258 CarbonylContact O-C 3.6Å; L224-T258 VanDerWaalsContact O-CA 3.26Å; L224-T258 WeakPolarHBondContact O-CA 3.3Å; T225-T258 PolarHBondContact OG1-OG1 2.79Å; T258-K260 PolarHBondContact O-N 2.86Å |
| 259 | L | 89.2 | Confident | 81.3 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 103.8 | 177.8 | -172.2 | 68.3 | 0 | 0 | 0 | 110.9 | N223 L224 W238 M246 L261 Y270 | N223-L259 WeakPolarHBondContact CA-O 3.37Å; L224-L259 HydrophobicContact CB-CB 4.23Å; L224-L259 HydrophobicContact CD1-CD2 3.98Å; L224-L259 HydrophobicContact CG-CB 4.4Å; L224-L259 PolarHBondContact N-O 3.36Å; L224-L259 PolarHBondContact O-N 2.6Å; W238-L259 HydrophobicContact CB-CD1 4.41Å; W238-L259 HydrophobicContact CB-CD2 4.26Å; W238-L259 HydrophobicContact CD2-CB 3.95Å; W238-L259 HydrophobicContact CD2-CD2 4.26Å; W238-L259 HydrophobicContact CE3-CD2 4.38Å; W238-L259 HydrophobicContact CG-CB 3.85Å; W238-L259 HydrophobicContact CG-CD2 4.22Å; W238-L259 HydrophobicContact CG-CG 4.43Å; M246-L259 HydrophobicContact CE-CD1 3.81Å; M246-L259 HydrophobicContact CE-CD2 3.99Å; M246-L259 HydrophobicContact CE-CG 4.5Å; M246-L259 HydrophobicContact SD-CD1 4.13Å; M246-L259 HydrophobicContact SD-CD2 3.69Å; L259-L261 HydrophobicContact CD2-CD1 4.34Å; L259-L261 HydrophobicContact CD2-CD2 3.8Å; L259-L261 HydrophobicContact CD2-CG 4Å; L259-L261 HydrophobicContact CG-CD2 3.95Å; L259-L261 HydrophobicContact CG-CG 4.05Å; L259-L261 PolarHBondContact O-N 2.68Å; L259-Y270 HydrophobicContact CD2-CD1 3.48Å; L259-Y270 VanDerWaalsContact CD2-CD1 3.48Å; L259-Y270 HydrophobicContact CD2-CE1 3.84Å; L259-Y270 HydrophobicContact CD2-CG 4.27Å |
| 260 | K | 88.3 | Confident | 82.5 | Confident | 141 Ų | 141 | 70.4 Ų | 70.4 | 61% | 0.613 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 84.3 | 177.6 | -60.9 | 179.7 | -177.8 | 175.3 | 0 | 111.1 | T258 K262 | T258-K260 PolarHBondContact O-N 2.86Å; K260-K262 PolarHBondContact O-N 3.23Å |
| 261 | L | 87.7 | Confident | 83.6 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 114.1 | 177.8 | -66.5 | 178 | 0 | 0 | 0 | 111.4 | S221 V222 L224 L259 V264 Y270 V287 | S221-L261 CarbonylContact C-O 3.58Å; S221-L261 WeakPolarHBondContact CA-O 3.18Å; S221-L261 WeakPolarHBondContact CB-O 3.34Å; V222-L261 HydrophobicContact CG1-CB 4.03Å; V222-L261 HydrophobicContact CG1-CD1 4.23Å; V222-L261 PolarHBondContact N-O 2.72Å; V222-L261 WeakPolarHBondContact O-CB 3.44Å; V222-L261 PolarHBondContact O-N 3Å; L224-L261 HydrophobicContact CD1-CD1 3.89Å; L224-L261 HydrophobicContact CD2-CD1 4.39Å; L224-L261 HydrophobicContact CG-CD1 4.14Å; L259-L261 HydrophobicContact CD2-CD1 4.34Å; L259-L261 HydrophobicContact CD2-CD2 3.8Å; L259-L261 HydrophobicContact CD2-CG 4Å; L259-L261 HydrophobicContact CG-CD2 3.95Å; L259-L261 HydrophobicContact CG-CG 4.05Å; L259-L261 PolarHBondContact O-N 2.68Å; L261-V264 HydrophobicContact CB-CG2 3.94Å; L261-Y270 HydrophobicContact CD1-CD2 4.22Å; L261-Y270 HydrophobicContact CD1-CE1 4.1Å; L261-Y270 HydrophobicContact CD1-CE2 3.74Å; L261-Y270 HydrophobicContact CD2-CE1 3.97Å; L261-V287 HydrophobicContact CD1-CG1 4.45Å; L261-V287 HydrophobicContact CD1-CG2 3.94Å |
| 262 | K | 82.8 | Confident | 84.6 | Confident | 169 Ų | 169 | 57.8 Ų | 57.8 | 74% | 0.735 | 27% | 0.273 | S | S | * | . | trans | -104.2 | 142.3 | 176.8 | -63.5 | -179.7 | -179.1 | 178.5 | 0 | 111.6 | S221 K260 | S221-K262 WeakPolarHBondContact OG-CA 3.23Å; K260-K262 PolarHBondContact O-N 3.23Å | ||
| 263 | R | 81.8 | Confident | 85.4 | Confident | 197 Ų | 197 | 57.8 Ų | 57.8 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 54 | 53.9 | 177.3 | -67.6 | 179.6 | 168.8 | 171 | -3.3 | 114.4 | G219 G220 S221 Q265 | G219-R263 WeakPolarHBondContact O-CA 2.99Å; G220-R263 CarbonylContact O-C 3.54Å; G220-R263 WeakPolarHBondContact O-CA 3.34Å; G220-R263 PolarHBondContact O-N 3.38Å; S221-R263 PolarHBondContact OG-N 2.82Å; R263-Q265 PolarHBondContact O-N 3.1Å |
| 264 | V | 81.4 | Confident | 85.9 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | trans | -67.4 | 123.6 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 111 | V216 G219 G220 V222 L261 V287 V289 | V216-V264 HydrophobicContact CG1-CB 3.86Å; V216-V264 HydrophobicContact CG1-CG1 3.9Å; V216-V264 HydrophobicContact CG1-CG2 4.35Å; G219-V264 PolarHBondContact N-O 3.48Å; G220-V264 PolarHBondContact O-N 2.91Å; V222-V264 HydrophobicContact CG1-CG2 4.32Å; L261-V264 HydrophobicContact CB-CG2 3.94Å; V264-V287 HydrophobicContact CG1-CG1 4.02Å; V264-V289 HydrophobicContact CG1-CG2 3.76Å | ||
| 265 | Q | 77.5 | Confident | 86.2 | Confident | 137 Ų | 137 | 55.5 Ų | 55.5 | 64% | 0.64 | 26% | 0.259 | S | S | * | . | trans | -117.9 | -5.5 | -176.9 | -69.4 | -68.1 | -9 | 0 | 0 | 114.1 | R263 | R263-Q265 PolarHBondContact O-N 3.1Š| ||
| 266 | K | 79.1 | Confident | 86.4 | Confident | 134 Ų | 134 | 56 Ų | 56 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -145.4 | 137.7 | -172.7 | -173.6 | -167.4 | 169.4 | -158.1 | 0 | 110.6 | E268 | K266-E268 IonicContact NZ-OE1 3.73Å; K266-E268 PolarHBondContact NZ-OE1 2.85Å |
| 267 | T | 84.8 | Confident | 86 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 37% | 0.368 | 27% | 0.265 | S | S | . | . | trans | -66.3 | 127 | 169.3 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | M286 V287 E288 V289 | T267-M286 HydrophobicContact CG2-CG 4.16Å; T267-M286 HydrophobicContact CG2-SD 4.13Å; T267-V287 CarbonylContact C-O 3.57Å; T267-V287 VanDerWaalsContact CA-O 3.25Å; T267-V287 WeakPolarHBondContact CA-O 3.48Å; T267-E288 HydrophobicContact CG2-CB 4.19Å; T267-E288 HydrophobicContact CG2-CG 4.09Å; T267-V289 PolarHBondContact OG1-N 2.66Å | ||
| 268 | E | 85.7 | Confident | 85.2 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 16% | 0.159 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 145.2 | -170.8 | -165.5 | 153.5 | -119.4 | 0 | 0 | 112.3 | R240 K266 Y270 V287 | R240-E268 IonicContact CZ-OE2 3.56Å; R240-E268 VanDerWaalsContact CZ-OE2 3.23Å; R240-E268 VanDerWaalsContact NE-CD 3.33Å; R240-E268 IonicContact NE-OE1 2.7Å; R240-E268 PolarHBondContact NE-OE1 2.87Å; R240-E268 IonicContact NE-OE2 3.57Å; R240-E268 PolarHBondContact NE-OE2 3.03Å; R240-E268 IonicContact NH2-OE1 2.6Å; R240-E268 IonicContact NH2-OE2 2.72Å; R240-E268 PolarHBondContact NH2-OE2 3.2Å; K266-E268 IonicContact NZ-OE1 3.73Å; K266-E268 PolarHBondContact NZ-OE1 2.85Å; E268-Y270 HydrophobicContact CB-CE2 3.99Å; E268-Y270 HydrophobicContact CG-CE2 4.22Å; E268-Y270 PolarHBondContact OE2-OH 3.23Å; E268-V287 PolarHBondContact N-O 3.32Å; E268-V287 PolarHBondContact O-N 2.92Å |
| 269 | N | 89 | Confident | 84.7 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 146.4 | 175.8 | -73.2 | 8.6 | 0 | 0 | 0 | 111.2 | G241 T285 M286 | G241-N269 WeakPolarHBondContact CA-O 3.27Å; G241-N269 PolarHBondContact N-O 3.1Å; N269-T285 CarbonylContact C-O 3.55Å; N269-T285 VanDerWaalsContact CA-O 3.32Å; N269-T285 WeakPolarHBondContact CA-O 3.22Å; N269-M286 WeakPolarHBondContact OD1-CE 3.31Å |
| 270 | Y | 91.3 | Very high | 84.6 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.1 | 171.5 | -65 | -96.6 | 0 | 0 | 0 | 108.6 | L224 R239 R240 M246 L259 L261 E268 Q284 T285 V287 | L224-Y270 HydrophobicContact CD1-CD1 4.38Å; L224-Y270 HydrophobicContact CD1-CD2 4.02Å; L224-Y270 HydrophobicContact CD1-CG 3.78Å; R239-Y270 CarbonylContact O-C 3.55Å; R239-Y270 WeakPolarHBondContact O-CA 3.19Å; R240-Y270 HydrophobicContact CG-CE1 4.17Å; M246-Y270 HydrophobicContact CE-CE1 4.04Å; M246-Y270 HydrophobicContact SD-CD1 3.7Å; M246-Y270 HydrophobicContact SD-CE1 3.73Å; L259-Y270 HydrophobicContact CD2-CD1 3.48Å; L259-Y270 VanDerWaalsContact CD2-CD1 3.48Å; L259-Y270 HydrophobicContact CD2-CE1 3.84Å; L259-Y270 HydrophobicContact CD2-CG 4.27Å; L261-Y270 HydrophobicContact CD1-CD2 4.22Å; L261-Y270 HydrophobicContact CD1-CE1 4.1Å; L261-Y270 HydrophobicContact CD1-CE2 3.74Å; L261-Y270 HydrophobicContact CD2-CE1 3.97Å; E268-Y270 HydrophobicContact CB-CE2 3.99Å; E268-Y270 HydrophobicContact CG-CE2 4.22Å; E268-Y270 PolarHBondContact OE2-OH 3.23Å; Y270-Q284 WeakPolarHBondContact O-CA 3.29Å; Y270-T285 PolarHBondContact N-O 2.78Å; Y270-T285 WeakPolarHBondContact O-CG2 3.47Å; Y270-T285 PolarHBondContact O-N 2.94Å; Y270-V287 HydrophobicContact CD2-CB 4.22Å; Y270-V287 HydrophobicContact CD2-CG2 3.69Å; Y270-V287 HydrophobicContact CE2-CB 4.1Å; Y270-V287 HydrophobicContact CE2-CG2 3.94Å |
| 271 | T | 91 | Very high | 84.7 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117 | -179 | -55.6 | 0 | 0 | 0 | 0 | 108.3 | R239 G241 V273 E282 A283 Q284 | R239-T271 PolarHBondContact N-O 3.41Å; R239-T271 PolarHBondContact O-N 3.32Å; G241-T271 PolarHBondContact O-OG1 3.23Å; T271-V273 HydrophobicContact CG2-CG2 4.09Å; T271-E282 HydrophobicContact CG2-CB 3.91Å; T271-E282 HydrophobicContact CG2-CG 4.48Å; T271-A283 CarbonylContact C-O 3.56Å; T271-A283 WeakPolarHBondContact CA-O 3.41Å; T271-Q284 HydrophobicContact CG2-CG 4.09Å; T271-Q284 PolarHBondContact OG1-NE2 2.8Å |
| 272 | C | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.2 | 165.5 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | P210 C226 V236 W238 E282 A283 | P210-C272 HydrophobicContact CG-CB 4.2Å; C226-C272 HydrophobicContact CB-CB 3.72Å; C226-C272 WeakPolarHBondContact CB-SG 3.38Å; C226-C272 WeakPolarHBondContact SG-CB 3.49Å; C226-C272 CovalentContact SG-SG 2.03Å; C226-C272 PolarHBondContact SG-SG 3.34Å; V236-C272 VanDerWaalsContact CG1-SG 3.54Å; W238-C272 HydrophobicContact CD2-CB 4.41Å; W238-C272 HydrophobicContact CE3-CB 4.15Å; W238-C272 HydrophobicContact CH2-CB 3.98Å; W238-C272 HydrophobicContact CZ2-CB 4.2Å; W238-C272 HydrophobicContact CZ3-CB 3.94Å; C272-E282 CarbonylContact O-C 3.49Å; C272-E282 VanDerWaalsContact O-CA 3.32Å; C272-E282 WeakPolarHBondContact O-CA 3.41Å; C272-A283 PolarHBondContact N-O 2.72Å; C272-A283 PolarHBondContact O-N 2.58Å |
| 273 | V | 90.5 | Very high | 85.1 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.4 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | V236 F237 R239 T271 E282 | V236-V273 WeakPolarHBondContact CA-O 3.17Å; F237-V273 HydrophobicContact CD1-CB 4.05Å; F237-V273 HydrophobicContact CD1-CG1 4.27Å; F237-V273 HydrophobicContact CD2-CB 4.1Å; F237-V273 HydrophobicContact CD2-CG2 4.34Å; F237-V273 HydrophobicContact CE1-CB 3.71Å; F237-V273 HydrophobicContact CE1-CG1 3.54Å; F237-V273 HydrophobicContact CE2-CB 3.72Å; F237-V273 HydrophobicContact CE2-CG1 4.2Å; F237-V273 HydrophobicContact CE2-CG2 3.75Å; F237-V273 HydrophobicContact CG-CB 4.26Å; F237-V273 HydrophobicContact CZ-CB 3.54Å; F237-V273 HydrophobicContact CZ-CG1 3.5Å; F237-V273 HydrophobicContact CZ-CG2 3.9Å; F237-V273 PolarHBondContact N-O 3.36Å; F237-V273 PolarHBondContact O-N 2.78Å; R239-V273 HydrophobicContact CB-CG2 4.39Å; T271-V273 HydrophobicContact CG2-CG2 4.09Å; V273-E282 HydrophobicContact CB-CG 4.48Å; V273-E282 HydrophobicContact CG1-CG 4.18Å; V273-E282 HydrophobicContact CG2-CG 4.05Å |
| 274 | A | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F206 A228 P234 W235 V236 S280 I281 | F206-A274 HydrophobicContact CE1-CB 3.81Å; F206-A274 HydrophobicContact CZ-CB 4.25Å; A228-A274 HydrophobicContact CB-CB 3.36Å; P234-A274 HydrophobicContact CB-CB 4.24Å; W235-A274 CarbonylContact O-C 3.53Å; W235-A274 VanDerWaalsContact O-CA 3.26Å; W235-A274 WeakPolarHBondContact O-CA 3.07Å; V236-A274 HydrophobicContact CG2-CB 3.99Å; A274-S280 CarbonylContact O-C 3.58Å; A274-S280 VanDerWaalsContact O-CA 3.3Å; A274-S280 WeakPolarHBondContact O-CA 3.37Å; A274-I281 HydrophobicContact CB-CD1 4.11Å; A274-I281 HydrophobicContact CB-CG1 3.77Å; A274-I281 PolarHBondContact N-O 2.96Å; A274-I281 WeakPolarHBondContact O-CG1 3.31Å; A274-I281 PolarHBondContact O-N 3.01Å |
| 275 | F | 87.1 | Confident | 85.7 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 23% | 0.232 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.2 | -172 | 76.9 | -89.4 | 0 | 0 | 0 | 113.4 | P234 W235 F237 A249 | P234-F275 CarbonylContact C-O 3.52Å; P234-F275 WeakPolarHBondContact CA-O 3.47Å; P234-F275 WeakPolarHBondContact CB-O 3.39Å; W235-F275 HydrophobicContact CB-CD1 3.76Å; W235-F275 HydrophobicContact CB-CD2 4.45Å; W235-F275 HydrophobicContact CB-CE1 3.3Å; W235-F275 HydrophobicContact CB-CE2 4.05Å; W235-F275 HydrophobicContact CB-CG 4.33Å; W235-F275 HydrophobicContact CB-CZ 3.46Å; W235-F275 VanDerWaalsContact CB-CZ 3.46Å; W235-F275 AromaticContact CD2-CE2 3.85Å; W235-F275 HydrophobicContact CD2-CE2 3.85Å; W235-F275 AromaticContact CD2-CZ 3.92Å; W235-F275 HydrophobicContact CD2-CZ 3.92Å; W235-F275 AromaticContact CE3-CD2 3.97Å; W235-F275 HydrophobicContact CE3-CD2 3.97Å; W235-F275 AromaticContact CE3-CE2 3.6Å; W235-F275 HydrophobicContact CE3-CE2 3.6Å; W235-F275 HydrophobicContact CE3-CZ 4.14Å; W235-F275 HydrophobicContact CG-CE1 4.05Å; W235-F275 HydrophobicContact CG-CE2 4.08Å; W235-F275 AromaticContact CG-CZ 3.66Å; W235-F275 HydrophobicContact CG-CZ 3.66Å; W235-F275 HydrophobicContact CZ3-CE2 4.28Å; W235-F275 PolarHBondContact N-O 3.47Å; W235-F275 PolarHBondContact O-N 3.22Å; F237-F275 AromaticContact CD1-CD1 3.76Å; F237-F275 HydrophobicContact CD1-CD1 3.76Å; F237-F275 AromaticContact CD1-CE1 3.68Å; F237-F275 HydrophobicContact CD1-CE1 3.68Å; F237-F275 AromaticContact CE1-CD1 3.57Å; F237-F275 HydrophobicContact CE1-CD1 3.57Å; F237-F275 AromaticContact CE1-CE1 3.71Å; F237-F275 HydrophobicContact CE1-CE1 3.71Å; A249-F275 HydrophobicContact CB-CE1 4.1Å; A249-F275 HydrophobicContact CB-CZ 4.22Å; A249-F275 WeakPolarHBondContact O-CZ 3.42Å |
| 276 | S | 80.2 | Confident | 86.2 | Confident | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -178.9 | 165.9 | 78.4 | 0 | 0 | 0 | 0 | 110.2 | L278 G279 | S276-L278 PolarHBondContact O-N 2.82Å; S276-L278 PolarHBondContact OG-N 2.85Å; S276-G279 PolarHBondContact N-O 2.85Å; S276-G279 PolarHBondContact O-N 3.36Å; S276-G279 VanDerWaalsContact O-O 3.09Å |
| 277 | N | 79.1 | Confident | 86.7 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 8.7 | 173 | 58.2 | 14.1 | 0 | 0 | 0 | 114.4 | P232 S760 | P232-N277 VanDerWaalsContact CG-OD1 3.22Å; P232-N277 WeakPolarHBondContact CG-OD1 3.45Å; N277-S760 PolarHBondContact ND2-O 2.88Å; N277-S760 VanDerWaalsContact ND2-O 3.11Å |
| 278 | L | 72.2 | Confident | 86.6 | Confident | 52 Ų | 52 | 36 Ų | 36 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 13.1 | 176 | -60.7 | 170.3 | 0 | 0 | 0 | 113 | R201 V202 S203 H231 S276 | R201-L278 HydrophobicContact CB-CD1 3.75Å; R201-L278 HydrophobicContact CB-CD2 4.42Å; R201-L278 HydrophobicContact CG-CD1 4.36Å; V202-L278 WeakPolarHBondContact O-CD1 3.29Å; S203-L278 WeakPolarHBondContact CB-O 3.27Å; S203-L278 PolarHBondContact OG-O 2.57Å; H231-L278 WeakPolarHBondContact O-CD1 3.43Å; S276-L278 PolarHBondContact O-N 2.82Å; S276-L278 PolarHBondContact OG-N 2.85Å |
| 279 | G | 78.2 | Confident | 86 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 40% | 0.402 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.5 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P204 S276 | P204-G279 WeakPolarHBondContact CG-O 3.17Å; S276-G279 PolarHBondContact N-O 2.85Å; S276-G279 PolarHBondContact O-N 3.36Å; S276-G279 VanDerWaalsContact O-O 3.09Å |
| 280 | S | 86.9 | Confident | 84.6 | Confident | 78 Ų | 78 | 34.2 Ų | 34.2 | 55% | 0.545 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 158.5 | 173.9 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | A274 | A274-S280 CarbonylContact O-C 3.58Å; A274-S280 VanDerWaalsContact O-CA 3.3Å; A274-S280 WeakPolarHBondContact O-CA 3.37Å |
| 281 | I | 90.3 | Very high | 82.9 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 152.8 | 174.3 | 61.9 | 177.2 | 0 | 0 | 0 | 109.1 | P204 Y205 F206 A274 | P204-I281 HydrophobicContact CB-CD1 4Å; P204-I281 HydrophobicContact CB-CG1 4.11Å; P204-I281 WeakPolarHBondContact O-CG2 3.13Å; Y205-I281 VanDerWaalsContact C-CD1 3.44Å; Y205-I281 VanDerWaalsContact CA-CD1 3.41Å; F206-I281 HydrophobicContact CD1-CD1 4.01Å; F206-I281 HydrophobicContact CD2-CD1 3.5Å; F206-I281 HydrophobicContact CD2-CG1 4.1Å; F206-I281 HydrophobicContact CE1-CD1 3.99Å; F206-I281 HydrophobicContact CE1-CG1 4.16Å; F206-I281 HydrophobicContact CE2-CB 3.96Å; F206-I281 HydrophobicContact CE2-CD1 3.49Å; F206-I281 VanDerWaalsContact CE2-CD1 3.49Å; F206-I281 HydrophobicContact CE2-CG1 3.54Å; F206-I281 HydrophobicContact CG-CD1 3.76Å; F206-I281 HydrophobicContact CZ-CB 4.36Å; F206-I281 HydrophobicContact CZ-CD1 3.75Å; F206-I281 HydrophobicContact CZ-CG1 3.58Å; A274-I281 HydrophobicContact CB-CD1 4.11Å; A274-I281 HydrophobicContact CB-CG1 3.77Å; A274-I281 PolarHBondContact N-O 2.96Å; A274-I281 WeakPolarHBondContact O-CG1 3.31Å; A274-I281 PolarHBondContact O-N 3.01Å |
| 282 | E | 90.7 | Very high | 81.1 | Confident | 102 Ų | 102 | 43.5 Ų | 43.5 | 48% | 0.477 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.1 | 180 | -55.9 | -163.8 | 166.8 | 0 | 0 | 110.5 | R239 T271 C272 V273 | R239-E282 IonicContact CZ-OE1 3.18Å; R239-E282 VanDerWaalsContact NH1-CD 3.32Å; R239-E282 IonicContact NH1-OE1 3.9Å; R239-E282 PolarHBondContact NH1-OE1 2.84Å; R239-E282 IonicContact NH1-OE2 3.55Å; R239-E282 PolarHBondContact NH1-OE2 3.47Å; T271-E282 HydrophobicContact CG2-CB 3.91Å; T271-E282 HydrophobicContact CG2-CG 4.48Å; C272-E282 CarbonylContact O-C 3.49Å; C272-E282 VanDerWaalsContact O-CA 3.32Å; C272-E282 WeakPolarHBondContact O-CA 3.41Å; V273-E282 HydrophobicContact CB-CG 4.48Å; V273-E282 HydrophobicContact CG1-CG 4.18Å; V273-E282 HydrophobicContact CG2-CG 4.05Å |
| 283 | A | 88.5 | Confident | 79.5 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 126.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | F206 P209 P210 T271 C272 | F206-A283 HydrophobicContact CD2-CB 3.92Å; F206-A283 HydrophobicContact CE1-CB 4.46Å; F206-A283 HydrophobicContact CE2-CB 3.45Å; F206-A283 VanDerWaalsContact CE2-CB 3.45Å; F206-A283 HydrophobicContact CZ-CB 3.76Å; P209-A283 HydrophobicContact CB-CB 4.42Å; P210-A283 HydrophobicContact CG-CB 4.3Å; T271-A283 CarbonylContact C-O 3.56Å; T271-A283 WeakPolarHBondContact CA-O 3.41Å; C272-A283 PolarHBondContact N-O 2.72Å; C272-A283 PolarHBondContact O-N 2.58Å |
| 284 | Q | 87.8 | Confident | 78.6 | Confident | 98 Ų | 98 | 51.5 Ų | 51.5 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.6 | -176.7 | -57.5 | -158 | -56 | 0 | 0 | 112.3 | N242 Y270 T271 | N242-Q284 PolarHBondContact OD1-NE2 2.72Å; Y270-Q284 WeakPolarHBondContact O-CA 3.29Å; T271-Q284 HydrophobicContact CG2-CG 4.09Å; T271-Q284 PolarHBondContact OG1-NE2 2.8Å |
| 285 | T | 89.5 | Confident | 78.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.1 | 171.5 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | P210 E211 V212 Y214 L224 W238 N269 Y270 | P210-T285 HydrophobicContact CB-CG2 4.21Å; P210-T285 HydrophobicContact CG-CG2 4.39Å; E211-T285 WeakPolarHBondContact O-CB 3.23Å; E211-T285 PolarHBondContact O-OG1 2.81Å; V212-T285 WeakPolarHBondContact O-CA 3.44Å; Y214-T285 VanDerWaalsContact CD2-OG1 3.23Å; Y214-T285 WeakPolarHBondContact CD2-OG1 3.28Å; Y214-T285 HydrophobicContact CE2-CG2 4.41Å; Y214-T285 WeakPolarHBondContact CE2-OG1 3.45Å; L224-T285 HydrophobicContact CD1-CG2 3.97Å; W238-T285 HydrophobicContact CH2-CG2 4.17Å; W238-T285 HydrophobicContact CZ3-CG2 3.89Å; N269-T285 CarbonylContact C-O 3.55Å; N269-T285 VanDerWaalsContact CA-O 3.32Å; N269-T285 WeakPolarHBondContact CA-O 3.22Å; Y270-T285 PolarHBondContact N-O 2.78Å; Y270-T285 WeakPolarHBondContact O-CG2 3.47Å; Y270-T285 PolarHBondContact O-N 2.94Å |
| 286 | M | 88 | Confident | 78 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 35% | 0.345 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.9 | 170.8 | -178.3 | 177 | -72.4 | 0 | 0 | 109.8 | V212 R213 Y214 T267 N269 | V212-M286 PolarHBondContact O-N 2.83Å; R213-M286 CarbonylContact C-O 3.57Å; R213-M286 VanDerWaalsContact CA-O 3.26Å; R213-M286 WeakPolarHBondContact CA-O 3.42Å; Y214-M286 PolarHBondContact N-O 3.16Å; T267-M286 HydrophobicContact CG2-CG 4.16Å; T267-M286 HydrophobicContact CG2-SD 4.13Å; N269-M286 WeakPolarHBondContact OD1-CE 3.31Å |
| 287 | V | 88.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.3 | 167.3 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | V216 V222 L224 L261 V264 T267 E268 Y270 | V216-V287 HydrophobicContact CG1-CG1 3.96Å; V222-V287 HydrophobicContact CG1-CG1 3.95Å; L224-V287 HydrophobicContact CD1-CG2 3.79Å; L224-V287 HydrophobicContact CD2-CG2 3.59Å; L224-V287 HydrophobicContact CG-CG2 4.32Å; L261-V287 HydrophobicContact CD1-CG1 4.45Å; L261-V287 HydrophobicContact CD1-CG2 3.94Å; V264-V287 HydrophobicContact CG1-CG1 4.02Å; T267-V287 CarbonylContact C-O 3.57Å; T267-V287 VanDerWaalsContact CA-O 3.25Å; T267-V287 WeakPolarHBondContact CA-O 3.48Å; E268-V287 PolarHBondContact N-O 3.32Å; E268-V287 PolarHBondContact O-N 2.92Å; Y270-V287 HydrophobicContact CD2-CB 4.22Å; Y270-V287 HydrophobicContact CD2-CG2 3.69Å; Y270-V287 HydrophobicContact CE2-CB 4.1Å; Y270-V287 HydrophobicContact CE2-CG2 3.94Å |
| 288 | E | 82 | Confident | 78.6 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.8 | -172.1 | -174.7 | -174.2 | -163 | 0 | 0 | 111.8 | R213 Y214 V216 T267 K290 | R213-E288 IonicContact CZ-OE1 2.67Å; R213-E288 IonicContact CZ-OE2 2.65Å; R213-E288 IonicContact NE-OE1 3.21Å; R213-E288 IonicContact NE-OE2 3.04Å; R213-E288 PolarHBondContact NE-OE2 2.9Å; R213-E288 IonicContact NH2-OE1 2.96Å; R213-E288 PolarHBondContact NH2-OE1 2.86Å; R213-E288 IonicContact NH2-OE2 2.72Å; R213-E288 PolarHBondContact NH2-OE2 3.44Å; Y214-E288 PolarHBondContact O-N 2.92Å; V216-E288 PolarHBondContact N-O 2.84Å; T267-E288 HydrophobicContact CG2-CB 4.19Å; T267-E288 HydrophobicContact CG2-CG 4.09Å; E288-K290 HydrophobicContact CG-CG 4.01Å; E288-K290 WeakPolarHBondContact OE1-CE 3.32Å; E288-K290 WeakPolarHBondContact OE2-CE 3.47Å; E288-K290 IonicContact OE2-NZ 3.19Å |
| 289 | V | 74.2 | Confident | 79.5 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.7 | 171.1 | 178.7 | 0 | 0 | 0 | 0 | 109 | V216 P218 V264 T267 | V216-V289 HydrophobicContact CG1-CG2 4.07Å; V216-V289 WeakPolarHBondContact O-CA 3.42Å; P218-V289 HydrophobicContact CB-CG1 4.1Å; P218-V289 HydrophobicContact CG-CG1 3.67Å; V264-V289 HydrophobicContact CG1-CG2 3.76Å; T267-V289 PolarHBondContact OG1-N 2.66Å |
| 290 | K | 58.9 | Low | 80.1 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | trans | -113.2 | 139.7 | -176.8 | -70.4 | -171.8 | 166.6 | -154.4 | 0 | 112.6 | Q215 V216 P218 E288 Y322 V373 | Q215-K290 HydrophobicContact CB-CD 4.16Å; Q215-K290 VanDerWaalsContact CD-CE 3.46Å; Q215-K290 VanDerWaalsContact CD-NZ 3.32Å; Q215-K290 HydrophobicContact CG-CD 3.98Å; V216-K290 PolarHBondContact O-N 2.85Å; V216-K290 VanDerWaalsContact O-N 3.15Å; P218-K290 WeakPolarHBondContact CD-O 3.19Å; E288-K290 HydrophobicContact CG-CG 4.01Å; E288-K290 WeakPolarHBondContact OE1-CE 3.32Å; E288-K290 WeakPolarHBondContact OE2-CE 3.47Å; E288-K290 IonicContact OE2-NZ 3.19Å; K290-Y322 HydrophobicContact CD-CE1 4.04Å; K290-Y322 WeakPolarHBondContact CD-OH 3.47Å; K290-Y322 WeakPolarHBondContact CE-OH 3.4Å; K290-Y322 PolarHBondContact NZ-OH 3.49Å; K290-V373 HydrophobicContact CB-CG1 4.24Å; K290-V373 HydrophobicContact CD-CG2 4.33Å | ||
| 291 | D | 56.6 | Low | 80.3 | Confident | 128 Ų | 128 | 57 Ų | 57 | 68% | 0.684 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 164.3 | -179.1 | -147.5 | -18.5 | 0 | 0 | 0 | 112.3 | ||
| 292 | I | 53.9 | Low | 80.3 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 147.7 | -166.1 | -53.7 | 176.8 | 0 | 0 | 0 | 111.7 | M217 R375 | M217-I292 HydrophobicContact CE-CD1 3.83Å; M217-I292 HydrophobicContact CE-CG1 3.92Å; I292-R375 VanDerWaalsContact CG2-O 3.26Å; I292-R375 WeakPolarHBondContact CG2-O 3.39Å |
| 293 | A | 57.7 | Low | 80 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 154.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | T371 S376 | A293-T371 HydrophobicContact CB-CG2 3.4Å; A293-T371 VanDerWaalsContact CB-CG2 3.4Å; A293-S376 WeakPolarHBondContact O-CB 3.26Å |
| 294 | Y | 70.2 | Confident | 80 | Confident | 156 Ų | 156 | 59.5 Ų | 59.5 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 148.5 | -177.6 | -61 | -78.9 | 0 | 0 | 0 | 113.9 | T369 | Y294-T369 WeakPolarHBondContact O-CB 3.07Å; Y294-T369 PolarHBondContact O-OG1 3.32Å |
| 295 | P | 81.6 | Confident | 80 | Confident | 53 Ų | 53 | 58 Ų | 58 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -68 | 156.5 | 172 | 29.4 | -35.9 | 0 | 0 | 0 | 112.7 | Q377 | P295-Q377 WeakPolarHBondContact CB-O 3.19Š|
| 296 | P | 84.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 5% | 0.045 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 149 | 173.1 | -18 | 33.3 | 0 | 0 | 0 | 113.2 | W313 V316 Y327 V367 T369 | P296-W313 HydrophobicContact CB-CB 4.44Å; P296-W313 HydrophobicContact CB-CG 4.31Å; P296-V316 HydrophobicContact CB-CG2 4.39Å; P296-Y327 HydrophobicContact CB-CE1 4.49Å; P296-Y327 HydrophobicContact CG-CD1 3.67Å; P296-Y327 HydrophobicContact CG-CE1 3.98Å; P296-V367 WeakPolarHBondContact CD-O 3.37Å; P296-V367 HydrophobicContact CG-CB 4.25Å; P296-V367 HydrophobicContact CG-CG1 4.02Å; P296-T369 WeakPolarHBondContact CD-OG1 3.36Å |
| 297 | T | 84 | Confident | 80 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -103.6 | 162.3 | 174.5 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | V299 D314 | T297-V299 VanDerWaalsContact C-N 3.34Å; T297-V299 PolarHBondContact O-N 2.76Å; T297-D314 PolarHBondContact O-N 2.91Å; T297-D314 WeakPolarHBondContact OG1-CB 3.44Å; T297-D314 PolarHBondContact OG1-OD2 2.75Å |
| 298 | N | 87.2 | Confident | 80.1 | Confident | 105 Ų | 105 | 61.2 Ų | 61.2 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | trans | 51.7 | 43.8 | 173.8 | -61.1 | -32.3 | 0 | 0 | 0 | 115.2 | N300 D314 | N298-N300 PolarHBondContact O-N 2.61Å; N298-N300 PolarHBondContact O-ND2 2.86Å; N298-D314 WeakPolarHBondContact CB-OD2 3.32Å; N298-D314 PolarHBondContact ND2-OD2 2.84Å | ||
| 299 | V | 90.4 | Very high | 80.6 | Confident | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | trans | -62.6 | 120.8 | 167.2 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | T297 K312 W313 V367 V382 | T297-V299 VanDerWaalsContact C-N 3.34Å; T297-V299 PolarHBondContact O-N 2.76Å; V299-K312 CarbonylContact C-O 3.47Å; V299-K312 VanDerWaalsContact CA-O 3.31Å; V299-K312 WeakPolarHBondContact CA-O 3.45Å; V299-W313 HydrophobicContact CG2-CB 3.95Å; V299-V367 HydrophobicContact CG1-CG2 3.9Å; V299-V367 HydrophobicContact CG2-CB 4.18Å; V299-V367 HydrophobicContact CG2-CG2 3.84Å; V299-V382 HydrophobicContact CG1-CG1 4.25Å; V299-V382 HydrophobicContact CG1-CG2 4.07Å | ||
| 300 | N | 90.7 | Very high | 81.5 | Confident | 91 Ų | 91 | 60 Ų | 60 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.2 | -177.5 | -74 | -81 | 0 | 0 | 0 | 110.8 | N298 L311 K312 | N298-N300 PolarHBondContact O-N 2.61Å; N298-N300 PolarHBondContact O-ND2 2.86Å; N300-L311 CarbonylContact O-C 3.53Å; N300-L311 WeakPolarHBondContact O-CA 3.35Å; N300-K312 PolarHBondContact N-O 2.82Å; N300-K312 PolarHBondContact O-N 2.86Å |
| 301 | I | 90.8 | Very high | 83.1 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.1 | 172.1 | -65 | 147.2 | 0 | 0 | 0 | 108.9 | V309 T310 L311 V382 E383 A384 | I301-V309 HydrophobicContact CG1-CG1 4.18Å; I301-V309 HydrophobicContact CG2-CG1 3.93Å; I301-T310 CarbonylContact C-O 3.54Å; I301-T310 WeakPolarHBondContact CA-O 3.49Å; I301-L311 HydrophobicContact CG1-CD2 3.69Å; I301-V382 HydrophobicContact CD1-CB 4.18Å; I301-V382 HydrophobicContact CD1-CG2 4.06Å; I301-V382 HydrophobicContact CG1-CG2 4.15Å; I301-E383 WeakPolarHBondContact CD1-O 3.14Å; I301-A384 HydrophobicContact CD1-CB 3.85Å |
| 302 | V | 90.3 | Very high | 84.8 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | -8.2 | -175.2 | -61.1 | 0 | 0 | 0 | 0 | 114.4 | T310 K312 | V302-T310 HydrophobicContact CG2-CG2 3.72Å; V302-T310 PolarHBondContact N-O 2.98Å; V302-K312 HydrophobicContact CG1-CB 3.86Å; V302-K312 HydrophobicContact CG1-CD 4.06Å; V302-K312 HydrophobicContact CG2-CB 4.34Å |
| 303 | G | 85.5 | Confident | 86.7 | Confident | 24 Ų | 24 | 54 Ų | 54 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 154 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V309 T310 | G303-V309 WeakPolarHBondContact O-CA 3.39Å; G303-T310 PolarHBondContact O-N 3.22Å |
| 304 | Q | 87.6 | Confident | 88.1 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 146.4 | 177.4 | 64.2 | -173.7 | 33.2 | 0 | 0 | 111.4 | S308 V309 | Q304-S308 CarbonylContact C-O 3.32Å; Q304-S308 WeakPolarHBondContact CA-O 3.19Å; Q304-V309 HydrophobicContact CB-CG2 4.47Å |
| 305 | T | 89.4 | Confident | 88.7 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | trans | -134 | -165.6 | 175.5 | 69.7 | 0 | 0 | 0 | 0 | 110.3 | R307 S308 T386 S387 | T305-R307 PolarHBondContact OG1-N 3.14Å; T305-R307 VanDerWaalsContact OG1-N 3.08Å; T305-S308 WeakPolarHBondContact CG2-OG 3.31Å; T305-S308 PolarHBondContact N-O 3.42Å; T305-S308 PolarHBondContact OG1-N 3.3Å; T305-S308 PolarHBondContact OG1-OG 2.99Å; T305-T386 WeakPolarHBondContact O-CA 3.28Å; T305-T386 WeakPolarHBondContact O-CB 3.44Å; T305-S387 PolarHBondContact O-N 3.06Å | ||
| 306 | S | 87.1 | Confident | 88.4 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71.7 | -16.2 | 167.2 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | P359 S387 | S306-P359 WeakPolarHBondContact O-CA 3.39Å; S306-S387 WeakPolarHBondContact CB-O 3.28Å |
| 307 | R | 89.5 | Confident | 87.4 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -139.9 | 9.9 | -174.1 | -61.7 | -173.7 | -178.3 | -131 | 3.5 | 115.3 | T305 E355 N356 L357 P359 E389 | T305-R307 PolarHBondContact OG1-N 3.14Å; T305-R307 VanDerWaalsContact OG1-N 3.08Å; R307-E355 CarbonylContact O-C 3.55Å; R307-N356 PolarHBondContact O-N 2.89Å; R307-L357 WeakPolarHBondContact CA-O 3.41Å; R307-L357 PolarHBondContact O-N 2.88Å; R307-P359 HydrophobicContact CG-CG 4.18Å; R307-E389 IonicContact CZ-OE1 2.92Å; R307-E389 IonicContact CZ-OE2 2.66Å; R307-E389 IonicContact NE-OE1 3.23Å; R307-E389 IonicContact NE-OE2 3.28Å; R307-E389 PolarHBondContact NE-OE2 3.03Å; R307-E389 VanDerWaalsContact NH2-CD 3.32Å; R307-E389 IonicContact NH2-OE1 3.5Å; R307-E389 PolarHBondContact NH2-OE1 3.45Å; R307-E389 IonicContact NH2-OE2 2.7Å; R307-E389 PolarHBondContact NH2-OE2 3.07Å; R307-E389 VanDerWaalsContact NH2-OE2 3.16Å |
| 308 | S | 90.4 | Very high | 85.9 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.7 | 177.5 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | Q304 T305 N353 V354 | Q304-S308 CarbonylContact C-O 3.32Å; Q304-S308 WeakPolarHBondContact CA-O 3.19Å; T305-S308 WeakPolarHBondContact CG2-OG 3.31Å; T305-S308 PolarHBondContact N-O 3.42Å; T305-S308 PolarHBondContact OG1-N 3.3Å; T305-S308 PolarHBondContact OG1-OG 2.99Å; S308-N353 PolarHBondContact OG-OD1 2.72Å; S308-V354 CarbonylContact C-O 3.56Å; S308-V354 WeakPolarHBondContact CA-O 3.42Å; S308-V354 WeakPolarHBondContact CB-O 3.26Å |
| 309 | V | 92.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 127.4 | 172 | 170.7 | 0 | 0 | 0 | 0 | 108.5 | I301 G303 Q304 V354 L357 F365 A384 | I301-V309 HydrophobicContact CG1-CG1 4.18Å; I301-V309 HydrophobicContact CG2-CG1 3.93Å; G303-V309 WeakPolarHBondContact O-CA 3.39Å; Q304-V309 HydrophobicContact CB-CG2 4.47Å; V309-V354 PolarHBondContact N-O 3.29Å; V309-V354 PolarHBondContact O-N 2.74Å; V309-L357 HydrophobicContact CB-CD1 3.86Å; V309-L357 HydrophobicContact CG2-CD1 3.62Å; V309-F365 HydrophobicContact CB-CE1 4.33Å; V309-F365 HydrophobicContact CB-CE2 4.4Å; V309-F365 HydrophobicContact CB-CZ 3.77Å; V309-F365 HydrophobicContact CG1-CE1 4.42Å; V309-F365 HydrophobicContact CG1-CE2 4.02Å; V309-F365 HydrophobicContact CG1-CZ 3.84Å; V309-F365 HydrophobicContact CG2-CZ 4.04Å; V309-A384 HydrophobicContact CB-CB 4.4Å; V309-A384 HydrophobicContact CG1-CB 3.76Å; V309-A384 HydrophobicContact CG2-CB 3.7Å |
| 310 | T | 92.5 | Very high | 82.2 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.3 | -178.3 | -37.7 | 0 | 0 | 0 | 0 | 110.4 | I301 V302 G303 V352 N353 | I301-T310 CarbonylContact C-O 3.54Å; I301-T310 WeakPolarHBondContact CA-O 3.49Å; V302-T310 HydrophobicContact CG2-CG2 3.72Å; V302-T310 PolarHBondContact N-O 2.98Å; G303-T310 PolarHBondContact O-N 3.22Å; T310-V352 CarbonylContact C-O 3.55Å; T310-V352 WeakPolarHBondContact CA-O 3.4Å; T310-N353 HydrophobicContact CG2-CB 4.34Å; T310-N353 PolarHBondContact OG1-OD1 3.17Å |
| 311 | L | 93.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 150.4 | -179.7 | -66.2 | 169 | 0 | 0 | 0 | 111.1 | N300 I301 W313 V329 E351 V352 V354 F365 V382 | N300-L311 CarbonylContact O-C 3.53Å; N300-L311 WeakPolarHBondContact O-CA 3.35Å; I301-L311 HydrophobicContact CG1-CD2 3.69Å; L311-W313 HydrophobicContact CB-CE3 4.36Å; L311-W313 HydrophobicContact CB-CZ3 4.02Å; L311-V329 HydrophobicContact CD1-CG1 3.6Å; L311-E351 CarbonylContact O-C 3.59Å; L311-E351 WeakPolarHBondContact O-CA 3.13Å; L311-V352 PolarHBondContact N-O 3.16Å; L311-V352 PolarHBondContact O-N 3.28Å; L311-V354 HydrophobicContact CD1-CG2 3.9Å; L311-F365 HydrophobicContact CD1-CB 3.85Å; L311-F365 HydrophobicContact CD1-CD1 3.73Å; L311-F365 HydrophobicContact CD1-CG 3.99Å; L311-F365 HydrophobicContact CD2-CB 4.22Å; L311-F365 HydrophobicContact CD2-CG 4.3Å; L311-V382 HydrophobicContact CD2-CG2 3.77Å |
| 312 | K | 92.6 | Very high | 79 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 38% | 0.383 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 143.4 | 177.5 | -167.2 | -172.6 | -167 | 86 | 0 | 110.5 | V299 N300 V302 T350 E351 | V299-K312 CarbonylContact C-O 3.47Å; V299-K312 VanDerWaalsContact CA-O 3.31Å; V299-K312 WeakPolarHBondContact CA-O 3.45Å; N300-K312 PolarHBondContact N-O 2.82Å; N300-K312 PolarHBondContact O-N 2.86Å; V302-K312 HydrophobicContact CG1-CB 3.86Å; V302-K312 HydrophobicContact CG1-CD 4.06Å; V302-K312 HydrophobicContact CG2-CB 4.34Å; K312-T350 WeakPolarHBondContact CA-O 3.13Å; K312-E351 HydrophobicContact CB-CB 4.47Å; K312-E351 HydrophobicContact CB-CG 4.16Å; K312-E351 HydrophobicContact CG-CB 4.15Å; K312-E351 HydrophobicContact CG-CG 4.09Å; K312-E351 IonicContact NZ-OE1 3.07Å; K312-E351 PolarHBondContact NZ-OE1 2.75Å; K312-E351 IonicContact NZ-OE2 3.32Å; K312-E351 PolarHBondContact NZ-OE2 3.38Å |
| 313 | W | 92.5 | Very high | 77.9 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | trans | -148.2 | 171.5 | 178.5 | 57.7 | 90.7 | 0 | 0 | 0 | 112.6 | P296 V299 L311 Y327 V329 A346 T350 V352 V367 | P296-W313 HydrophobicContact CB-CB 4.44Å; P296-W313 HydrophobicContact CB-CG 4.31Å; V299-W313 HydrophobicContact CG2-CB 3.95Å; L311-W313 HydrophobicContact CB-CE3 4.36Å; L311-W313 HydrophobicContact CB-CZ3 4.02Å; W313-Y327 HydrophobicContact CZ2-CD2 4.14Å; W313-Y327 HydrophobicContact CZ2-CG 4.12Å; W313-Y327 AromaticContact NE1-CD1 3.68Å; W313-Y327 AromaticContact NE1-CD2 3.39Å; W313-Y327 AromaticContact NE1-CE1 3.99Å; W313-Y327 AromaticContact NE1-CE2 3.73Å; W313-Y327 AromaticContact NE1-CG 3.36Å; W313-V329 HydrophobicContact CH2-CG2 3.59Å; W313-V329 HydrophobicContact CZ2-CG2 4.48Å; W313-V329 HydrophobicContact CZ3-CG2 3.85Å; W313-A346 HydrophobicContact CH2-CB 3.82Å; W313-A346 HydrophobicContact CZ2-CB 3.66Å; W313-T350 PolarHBondContact N-O 3.21Å; W313-T350 WeakPolarHBondContact O-CB 3.31Å; W313-T350 PolarHBondContact O-OG1 2.74Å; W313-V352 HydrophobicContact CH2-CB 3.97Å; W313-V352 HydrophobicContact CH2-CG2 3.72Å; W313-V352 HydrophobicContact CZ3-CB 4.28Å; W313-V352 HydrophobicContact CZ3-CG2 4.49Å; W313-V367 HydrophobicContact CD2-CG1 4.18Å; W313-V367 HydrophobicContact CD2-CG2 4.4Å; W313-V367 HydrophobicContact CE3-CG1 4.45Å; W313-V367 HydrophobicContact CE3-CG2 4.04Å; W313-V367 HydrophobicContact CH2-CG1 4.5Å; W313-V367 HydrophobicContact CZ2-CG1 4.23Å; W313-V367 HydrophobicContact CZ3-CG2 4.33Å | ||
| 314 | D | 87.4 | Confident | 77.4 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 148.9 | 176 | -65.1 | -34.1 | 0 | 0 | 0 | 112.4 | T297 N298 V316 | T297-D314 PolarHBondContact O-N 2.91Å; T297-D314 WeakPolarHBondContact OG1-CB 3.44Å; T297-D314 PolarHBondContact OG1-OD2 2.75Å; N298-D314 WeakPolarHBondContact CB-OD2 3.32Å; N298-D314 PolarHBondContact ND2-OD2 2.84Å; D314-V316 PolarHBondContact O-N 3.1Å |
| 315 | R | 82.9 | Confident | 76.9 | Confident | 190 Ų | 190 | 63.2 Ų | 63.2 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 120.2 | 169.5 | -166.3 | 178.1 | -169.6 | 162.1 | 7.1 | 110.3 | S317 Y327 T350 | R315-S317 PolarHBondContact O-N 2.83Å; R315-Y327 WeakPolarHBondContact CA-OH 3.4Å; R315-T350 HydrophobicContact CB-CG2 4.03Å; R315-T350 HydrophobicContact CG-CG2 4.39Å |
| 316 | V | 75.6 | Confident | 76.8 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 126.6 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110 | P296 D314 Y327 | P296-V316 HydrophobicContact CB-CG2 4.39Å; D314-V316 PolarHBondContact O-N 3.1Å; V316-Y327 HydrophobicContact CB-CE1 4.49Å; V316-Y327 HydrophobicContact CG2-CE1 4.08Å; V316-Y327 PolarHBondContact N-OH 3.48Å; V316-Y327 VanDerWaalsContact N-OH 3.07Å |
| 317 | S | 63.2 | Low | 76.9 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 128.8 | 173.9 | 45.4 | 0 | 0 | 0 | 0 | 110.2 | R315 S319 | R315-S317 PolarHBondContact O-N 2.83Å; S317-S319 PolarHBondContact O-N 3.48Å |
| 318 | S | 52.5 | Low | 77 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 60% | 0.601 | 32% | 0.318 | S | S | * | . | trans | -67.5 | 114.4 | 179.6 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | A320 Y322 | S318-A320 PolarHBondContact O-N 2.79Å; S318-Y322 WeakPolarHBondContact CB-O 3.5Å | ||
| 319 | S | 50.4 | Low | 77.1 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | trans | -48.9 | 133.8 | 146.8 | 51.6 | 0 | 0 | 0 | 0 | 108.3 | S317 D321 Y322 | S317-S319 PolarHBondContact O-N 3.48Å; S319-D321 PolarHBondContact O-N 2.89Å; S319-Y322 PolarHBondContact O-N 2.95Å; S319-Y322 VanDerWaalsContact O-N 3.15Å | ||
| 320 | A | 50.7 | Low | 77.1 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -20.7 | -154.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | S318 | S318-A320 PolarHBondContact O-N 2.79Š|
| 321 | D | 54.3 | Low | 77.1 | Confident | 116 Ų | 116 | 57 Ų | 57 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -3 | -173 | -55.2 | -78.7 | 0 | 0 | 0 | 115.7 | S319 | S319-D321 PolarHBondContact O-N 2.89Š|
| 322 | Y | 58.7 | Low | 77 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | trans | -135.2 | 124.2 | -172.9 | -52.2 | -69.6 | 0 | 0 | 0 | 115.6 | K290 S318 S319 V373 | K290-Y322 HydrophobicContact CD-CE1 4.04Å; K290-Y322 WeakPolarHBondContact CD-OH 3.47Å; K290-Y322 WeakPolarHBondContact CE-OH 3.4Å; K290-Y322 PolarHBondContact NZ-OH 3.49Å; S318-Y322 WeakPolarHBondContact CB-O 3.5Å; S319-Y322 PolarHBondContact O-N 2.95Å; S319-Y322 VanDerWaalsContact O-N 3.15Å; Y322-V373 HydrophobicContact CD1-CG2 3.66Å; Y322-V373 HydrophobicContact CE1-CG2 3.43Å; Y322-V373 VanDerWaalsContact CE1-CG2 3.43Å; Y322-V373 HydrophobicContact CG-CG2 4.45Å | ||
| 323 | T | 68.4 | Low | 76.7 | Confident | 109 Ų | 109 | 57.9 Ų | 57.9 | 67% | 0.669 | 32% | 0.32 | S | S | * | . | trans | -79 | 137.5 | 166.4 | -43 | 0 | 0 | 0 | 0 | 110.7 | P372 | T323-P372 WeakPolarHBondContact O-CD 3.31Š| ||
| 324 | V | 74.2 | Confident | 76.2 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | trans | -72 | 125.9 | 166 | 179.5 | 0 | 0 | 0 | 0 | 109 | Y327 T369 T371 | V324-Y327 HydrophobicContact CG1-CE1 4.16Å; V324-Y327 HydrophobicContact CG1-CE2 4.22Å; V324-T369 HydrophobicContact CB-CG2 4.28Å; V324-T369 HydrophobicContact CG1-CG2 3.72Å; V324-T369 HydrophobicContact CG2-CG2 3.62Å; V324-T371 HydrophobicContact CG2-CG2 4.5Å | ||
| 325 | L | 76.6 | Confident | 75.8 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 43% | 0.429 | 35% | 0.348 | S | S | . | . | trans | -83.2 | -46 | 178.5 | -62.3 | 176.6 | 0 | 0 | 0 | 111.5 | V370 P372 | L325-V370 PolarHBondContact N-O 3.2Å; L325-P372 HydrophobicContact CD1-CG 4.18Å; L325-P372 HydrophobicContact CD2-CG 4.2Å; L325-P372 HydrophobicContact CG-CG 4.26Å | ||
| 326 | Y | 87.4 | Confident | 75.1 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 21% | 0.212 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 166.8 | 177.4 | 56.2 | -87.5 | 0 | 0 | 0 | 109.8 | L328 K345 A346 V370 | Y326-L328 HydrophobicContact CE2-CD1 4.37Å; Y326-K345 HydrophobicContact CD2-CB 4.15Å; Y326-K345 HydrophobicContact CD2-CD 4.16Å; Y326-K345 HydrophobicContact CD2-CG 3.92Å; Y326-K345 HydrophobicContact CE2-CD 3.76Å; Y326-K345 HydrophobicContact CE2-CG 3.79Å; Y326-A346 WeakPolarHBondContact CA-O 3.42Å; Y326-A346 VanDerWaalsContact CB-O 3.31Å; Y326-A346 WeakPolarHBondContact CB-O 3.29Å; Y326-V370 HydrophobicContact CD1-CB 4.34Å; Y326-V370 HydrophobicContact CD2-CB 4.11Å; Y326-V370 HydrophobicContact CD2-CG2 3.89Å; Y326-V370 HydrophobicContact CE1-CB 4.15Å; Y326-V370 HydrophobicContact CE1-CG1 3.92Å; Y326-V370 HydrophobicContact CE2-CB 3.92Å; Y326-V370 HydrophobicContact CE2-CG1 4.24Å; Y326-V370 HydrophobicContact CE2-CG2 3.54Å; Y326-V370 HydrophobicContact CG-CB 4.32Å; Y326-V370 WeakPolarHBondContact O-CB 3.39Å; Y326-V370 PolarHBondContact O-N 3.44Å |
| 327 | Y | 89.7 | Confident | 74.3 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 2% | 0.024 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 154.1 | 163.8 | -55.7 | -85.9 | 0 | 0 | 0 | 110.4 | P296 W313 R315 V316 V324 A346 E349 T350 R368 T369 | P296-Y327 HydrophobicContact CB-CE1 4.49Å; P296-Y327 HydrophobicContact CG-CD1 3.67Å; P296-Y327 HydrophobicContact CG-CE1 3.98Å; W313-Y327 HydrophobicContact CZ2-CD2 4.14Å; W313-Y327 HydrophobicContact CZ2-CG 4.12Å; W313-Y327 AromaticContact NE1-CD1 3.68Å; W313-Y327 AromaticContact NE1-CD2 3.39Å; W313-Y327 AromaticContact NE1-CE1 3.99Å; W313-Y327 AromaticContact NE1-CE2 3.73Å; W313-Y327 AromaticContact NE1-CG 3.36Å; R315-Y327 WeakPolarHBondContact CA-OH 3.4Å; V316-Y327 HydrophobicContact CB-CE1 4.49Å; V316-Y327 HydrophobicContact CG2-CE1 4.08Å; V316-Y327 PolarHBondContact N-OH 3.48Å; V316-Y327 VanDerWaalsContact N-OH 3.07Å; V324-Y327 HydrophobicContact CG1-CE1 4.16Å; V324-Y327 HydrophobicContact CG1-CE2 4.22Å; Y327-A346 PolarHBondContact N-O 3.01Å; Y327-A346 PolarHBondContact O-N 3.22Å; Y327-E349 WeakPolarHBondContact CD2-O 3.42Å; Y327-T350 HydrophobicContact CE2-CG2 3.8Å; Y327-R368 CarbonylContact C-O 3.56Å; Y327-R368 WeakPolarHBondContact CA-O 3.29Å; Y327-R368 WeakPolarHBondContact CB-O 3.38Å; Y327-T369 HydrophobicContact CD1-CG2 4.35Å; Y327-T369 HydrophobicContact CE1-CG2 4.03Å |
| 328 | L | 90.7 | Very high | 74.2 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 109.5 | -178.6 | -171.8 | 73.6 | 0 | 0 | 0 | 108.8 | Y326 E330 E343 K345 V367 R368 V370 R375 | Y326-L328 HydrophobicContact CE2-CD1 4.37Å; L328-E330 HydrophobicContact CD2-CG 4.39Å; L328-E330 HydrophobicContact CG-CG 4.44Å; L328-E343 HydrophobicContact CD1-CB 4.03Å; L328-E343 HydrophobicContact CD1-CG 4.14Å; L328-E343 HydrophobicContact CD2-CG 4.15Å; L328-E343 HydrophobicContact CG-CG 4.27Å; L328-K345 HydrophobicContact CD1-CG 3.74Å; L328-V367 CarbonylContact O-C 3.39Å; L328-V367 VanDerWaalsContact O-CA 3.3Å; L328-V367 WeakPolarHBondContact O-CA 3.18Å; L328-R368 HydrophobicContact CB-CB 4.27Å; L328-R368 PolarHBondContact N-O 3.2Å; L328-R368 PolarHBondContact O-N 3.19Å; L328-V370 HydrophobicContact CB-CG2 4.33Å; L328-R375 VanDerWaalsContact CD2-CZ 3.44Å |
| 329 | V | 92.8 | Very high | 74.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.9 | 173.3 | 180 | 0 | 0 | 0 | 0 | 108 | L311 W313 L344 V354 Q366 V367 | L311-V329 HydrophobicContact CD1-CG1 3.6Å; W313-V329 HydrophobicContact CH2-CG2 3.59Å; W313-V329 HydrophobicContact CZ2-CG2 4.48Å; W313-V329 HydrophobicContact CZ3-CG2 3.85Å; V329-L344 HydrophobicContact CB-CB 4.29Å; V329-L344 PolarHBondContact N-O 2.96Å; V329-L344 PolarHBondContact O-N 3.17Å; V329-V354 HydrophobicContact CG1-CG2 4.21Å; V329-Q366 CarbonylContact C-O 3.53Å; V329-Q366 WeakPolarHBondContact CA-O 3.45Å; V329-V367 HydrophobicContact CG2-CG1 4.25Å; V329-V367 HydrophobicContact CG2-CG2 4.28Å |
| 330 | E | 92.3 | Very high | 75.6 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.2 | 179 | -75.9 | 173.2 | 178.4 | 0 | 0 | 108 | L328 F341 M342 E343 F365 Q366 R368 R375 | L328-E330 HydrophobicContact CD2-CG 4.39Å; L328-E330 HydrophobicContact CG-CG 4.44Å; E330-F341 HydrophobicContact CB-CB 3.89Å; E330-F341 HydrophobicContact CB-CD1 4.07Å; E330-F341 HydrophobicContact CB-CG 4.12Å; E330-F341 HydrophobicContact CG-CB 4.42Å; E330-M342 CarbonylContact C-O 3.57Å; E330-M342 WeakPolarHBondContact CA-O 3.24Å; E330-E343 HydrophobicContact CG-CG 4.23Å; E330-F365 CarbonylContact O-C 3.52Å; E330-F365 WeakPolarHBondContact O-CA 3.37Å; E330-Q366 HydrophobicContact CB-CG 3.71Å; E330-Q366 PolarHBondContact N-O 2.87Å; E330-Q366 PolarHBondContact O-N 2.92Å; E330-Q366 PolarHBondContact OE2-NE2 3.18Å; E330-R368 WeakPolarHBondContact OE1-CD 3.39Å; E330-R368 IonicContact OE1-CZ 3.79Å; E330-R368 IonicContact OE1-NE 3.88Å; E330-R368 PolarHBondContact OE1-NE 3.22Å; E330-R368 IonicContact OE1-NH2 3.17Å; E330-R368 IonicContact OE2-CZ 3.32Å; E330-R368 IonicContact OE2-NE 3.77Å; E330-R368 PolarHBondContact OE2-NE 3.25Å; E330-R368 IonicContact OE2-NH2 3.3Å; E330-R368 PolarHBondContact OE2-NH2 3.16Å; E330-R375 IonicContact OE1-NH1 2.71Å |
| 331 | Y | 92.9 | Very high | 77.3 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.5 | -174.2 | 71.8 | -76.7 | 0 | 0 | 0 | 114.8 | M342 L344 V354 L357 Y363 E364 F365 | Y331-M342 HydrophobicContact CD1-CB 3.91Å; Y331-M342 WeakPolarHBondContact CD1-O 3.4Å; Y331-M342 HydrophobicContact CD2-CB 4.43Å; Y331-M342 HydrophobicContact CD2-CE 3.7Å; Y331-M342 HydrophobicContact CE1-CB 3.52Å; Y331-M342 HydrophobicContact CE2-CB 4.09Å; Y331-M342 HydrophobicContact CE2-CE 3.45Å; Y331-M342 VanDerWaalsContact CE2-CE 3.45Å; Y331-M342 HydrophobicContact CE2-SD 3.9Å; Y331-M342 HydrophobicContact CG-CB 4.34Å; Y331-M342 PolarHBondContact N-O 2.75Å; Y331-M342 WeakPolarHBondContact O-CB 3.41Å; Y331-M342 PolarHBondContact O-N 2.98Å; Y331-L344 HydrophobicContact CE1-CB 4.23Å; Y331-V354 HydrophobicContact CD1-CG1 4.08Å; Y331-V354 HydrophobicContact CD2-CG1 3.87Å; Y331-V354 HydrophobicContact CE1-CG1 3.94Å; Y331-V354 HydrophobicContact CE2-CG1 3.71Å; Y331-V354 HydrophobicContact CG-CG1 4.06Å; Y331-L357 HydrophobicContact CD2-CD2 4.01Å; Y331-L357 HydrophobicContact CE2-CD2 3.75Å; Y331-Y363 HydrophobicContact CD2-CD1 4.49Å; Y331-E364 CarbonylContact C-O 3.54Å; Y331-E364 VanDerWaalsContact CA-O 3.24Å; Y331-E364 WeakPolarHBondContact CA-O 3.28Å; Y331-F365 HydrophobicContact CD2-CE1 4.29Å; Y331-F365 HydrophobicContact CG-CD1 4.17Å; Y331-F365 HydrophobicContact CG-CE1 4.27Å |
| 332 | R | 90.8 | Very high | 78.8 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 159.3 | 179.1 | 63.8 | -176.7 | -179.5 | 164.6 | 1.6 | 113.2 | F341 Y363 E364 | R332-F341 HydrophobicContact CB-CD1 4.28Å; R332-F341 HydrophobicContact CG-CD1 3.84Å; R332-F341 HydrophobicContact CG-CE1 3.78Å; R332-F341 HydrophobicContact CG-CG 4.49Å; R332-F341 HydrophobicContact CG-CZ 4.37Å; R332-F341 VanDerWaalsContact NE-CZ 3.32Å; R332-Y363 CarbonylContact O-C 3.45Å; R332-Y363 VanDerWaalsContact O-CA 3.31Å; R332-Y363 WeakPolarHBondContact O-CA 3.47Å; R332-Y363 WeakPolarHBondContact O-CD1 3.23Å; R332-E364 HydrophobicContact CG-CB 4.44Å; R332-E364 IonicContact CZ-OE2 2.64Å; R332-E364 PolarHBondContact N-O 3.24Å; R332-E364 IonicContact NE-OE2 2.57Å; R332-E364 PolarHBondContact NE-OE2 3Å; R332-E364 IonicContact NH2-OE2 2.71Å; R332-E364 PolarHBondContact NH2-OE2 2.92Å; R332-E364 PolarHBondContact O-N 2.92Å |
| 333 | P | 87.2 | Confident | 80.3 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 136.4 | 168.7 | -15.7 | 29.3 | 0 | 0 | 0 | 110.7 | Y335 S336 Q362 Y363 | P333-Y335 VanDerWaalsContact C-N 3.3Å; P333-Y335 PolarHBondContact O-N 3.21Å; P333-S336 WeakPolarHBondContact CB-OG 3.34Å; P333-S336 PolarHBondContact O-N 3.33Å; P333-S336 PolarHBondContact O-OG 3.14Å; P333-Q362 WeakPolarHBondContact CA-O 3.36Å; P333-Y363 HydrophobicContact CB-CE1 4.35Å; P333-Y363 HydrophobicContact CG-CD1 4.36Å; P333-Y363 HydrophobicContact CG-CE1 3.85Å |
| 334 | K | 81.3 | Confident | 81.2 | Confident | 72 Ų | 72 | 65 Ų | 65 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.3 | -169.3 | -177.5 | 175.8 | 175.9 | -179.9 | 0 | 114.2 | Q362 E383 | K334-Q362 HydrophobicContact CB-CB 4.47Å; K334-Q362 HydrophobicContact CB-CG 4.11Å; K334-Q362 HydrophobicContact CD-CG 4.06Å; K334-Q362 PolarHBondContact N-O 3.35Å; K334-E383 HydrophobicContact CD-CG 4.5Å; K334-E383 WeakPolarHBondContact CD-OE2 3.45Å; K334-E383 WeakPolarHBondContact CE-OE1 3.48Å; K334-E383 WeakPolarHBondContact CE-OE2 3.33Å; K334-E383 IonicContact NZ-OE1 3.49Å; K334-E383 PolarHBondContact NZ-OE1 2.71Å; K334-E383 IonicContact NZ-OE2 3.49Å; K334-E383 PolarHBondContact NZ-OE2 2.9Å |
| 335 | Y | 79.7 | Confident | 82 | Confident | 168 Ų | 168 | 69.1 Ų | 69.1 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 19.5 | -173 | -51.3 | -68.7 | 0 | 0 | 0 | 113.8 | P333 D337 Q362 | P333-Y335 VanDerWaalsContact C-N 3.3Å; P333-Y335 PolarHBondContact O-N 3.21Å; Y335-D337 PolarHBondContact O-N 2.8Å; Y335-Q362 HydrophobicContact CE2-CB 4.21Å; Y335-Q362 VanDerWaalsContact CE2-OE1 3.24Å; Y335-Q362 PolarHBondContact OH-OE1 3.49Å |
| 336 | S | 68.6 | Low | 82.4 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -91.8 | 95.3 | 175 | 43 | 0 | 0 | 0 | 0 | 111.9 | P333 G338 S339 | P333-S336 WeakPolarHBondContact CB-OG 3.34Å; P333-S336 PolarHBondContact O-N 3.33Å; P333-S336 PolarHBondContact O-OG 3.14Å; S336-G338 PolarHBondContact O-N 2.84Å; S336-S339 WeakPolarHBondContact CB-OG 3.27Å; S336-S339 WeakPolarHBondContact O-CB 3.33Å; S336-S339 PolarHBondContact O-N 2.84Å; S336-S339 PolarHBondContact O-OG 3.18Å; S336-S339 WeakPolarHBondContact OG-CB 3.28Å; S336-S339 PolarHBondContact OG-OG 2.93Å | ||
| 337 | D | 56.8 | Low | 82 | Confident | 173 Ų | 173 | 67.9 Ų | 67.9 | 93% | 0.925 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 125.7 | 175.3 | -85.6 | -33.8 | 0 | 0 | 0 | 111.8 | Y335 S339 | Y335-D337 PolarHBondContact O-N 2.8Å; D337-S339 VanDerWaalsContact C-N 3.25Å; D337-S339 PolarHBondContact O-N 3.27Å |
| 338 | G | 61.3 | Low | 81 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 85% | 0.845 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 5.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | S336 | S336-G338 PolarHBondContact O-N 2.84Š|
| 339 | S | 60.9 | Low | 80.3 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 25% | 0.245 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -69 | 131.4 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | S336 D337 | S336-S339 WeakPolarHBondContact CB-OG 3.27Å; S336-S339 WeakPolarHBondContact O-CB 3.33Å; S336-S339 PolarHBondContact O-N 2.84Å; S336-S339 PolarHBondContact O-OG 3.18Å; S336-S339 WeakPolarHBondContact OG-CB 3.28Å; S336-S339 PolarHBondContact OG-OG 2.93Å; D337-S339 VanDerWaalsContact C-N 3.25Å; D337-S339 PolarHBondContact O-N 3.27Å |
| 340 | E | 72.8 | Confident | 80 | Confident | 180 Ų | 180 | 80.2 Ų | 80.2 | 84% | 0.841 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 152.1 | 167 | -62.6 | -172.8 | 143.1 | 0 | 0 | 110.4 | ||
| 341 | F | 85.2 | Confident | 80 | Confident | 58 Ų | 58 | 83.9 Ų | 83.9 | 25% | 0.254 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 131.1 | 172.5 | -75.2 | -89.6 | 0 | 0 | 0 | 110.4 | E330 R332 E364 Q366 | E330-F341 HydrophobicContact CB-CB 3.89Å; E330-F341 HydrophobicContact CB-CD1 4.07Å; E330-F341 HydrophobicContact CB-CG 4.12Å; E330-F341 HydrophobicContact CG-CB 4.42Å; R332-F341 HydrophobicContact CB-CD1 4.28Å; R332-F341 HydrophobicContact CG-CD1 3.84Å; R332-F341 HydrophobicContact CG-CE1 3.78Å; R332-F341 HydrophobicContact CG-CG 4.49Å; R332-F341 HydrophobicContact CG-CZ 4.37Å; R332-F341 VanDerWaalsContact NE-CZ 3.32Å; F341-E364 HydrophobicContact CE1-CG 4.42Å; F341-Q366 HydrophobicContact CE1-CG 4.41Å |
| 342 | M | 86.8 | Confident | 79.9 | Confident | 79 Ų | 79 | 82.8 Ų | 82.8 | 39% | 0.389 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.6 | 167.8 | -66.1 | 172.8 | -79.6 | 0 | 0 | 109.6 | E330 Y331 | E330-M342 CarbonylContact C-O 3.57Å; E330-M342 WeakPolarHBondContact CA-O 3.24Å; Y331-M342 HydrophobicContact CD1-CB 3.91Å; Y331-M342 WeakPolarHBondContact CD1-O 3.4Å; Y331-M342 HydrophobicContact CD2-CB 4.43Å; Y331-M342 HydrophobicContact CD2-CE 3.7Å; Y331-M342 HydrophobicContact CE1-CB 3.52Å; Y331-M342 HydrophobicContact CE2-CB 4.09Å; Y331-M342 HydrophobicContact CE2-CE 3.45Å; Y331-M342 VanDerWaalsContact CE2-CE 3.45Å; Y331-M342 HydrophobicContact CE2-SD 3.9Å; Y331-M342 HydrophobicContact CG-CB 4.34Å; Y331-M342 PolarHBondContact N-O 2.75Å; Y331-M342 WeakPolarHBondContact O-CB 3.41Å; Y331-M342 PolarHBondContact O-N 2.98Å |
| 343 | E | 89.6 | Confident | 79.9 | Confident | 93 Ų | 93 | 82.3 Ų | 82.3 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.9 | -177.9 | -78.1 | -174.2 | -159.3 | 0 | 0 | 112.5 | L328 E330 R375 | L328-E343 HydrophobicContact CD1-CB 4.03Å; L328-E343 HydrophobicContact CD1-CG 4.14Å; L328-E343 HydrophobicContact CD2-CG 4.15Å; L328-E343 HydrophobicContact CG-CG 4.27Å; E330-E343 HydrophobicContact CG-CG 4.23Å; E343-R375 IonicContact OE1-CZ 3.9Å; E343-R375 IonicContact OE1-NH1 3.22Å; E343-R375 PolarHBondContact OE1-NH1 2.99Å; E343-R375 IonicContact OE1-NH2 3.38Å; E343-R375 PolarHBondContact OE1-NH2 3.34Å; E343-R375 IonicContact OE2-CZ 2.77Å; E343-R375 IonicContact OE2-NH1 2.77Å; E343-R375 IonicContact OE2-NH2 3.92Å; E343-R375 PolarHBondContact OE2-NH2 2.84Å |
| 344 | L | 88.5 | Confident | 80.1 | Confident | 60 Ų | 60 | 80.5 Ų | 80.5 | 31% | 0.314 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.1 | 172.7 | 178 | 64.6 | 0 | 0 | 0 | 109.9 | V329 Y331 V352 V354 | V329-L344 HydrophobicContact CB-CB 4.29Å; V329-L344 PolarHBondContact N-O 2.96Å; V329-L344 PolarHBondContact O-N 3.17Å; Y331-L344 HydrophobicContact CE1-CB 4.23Å; L344-V352 HydrophobicContact CD2-CG1 3.58Å; L344-V352 HydrophobicContact CG-CG1 4.42Å; L344-V354 HydrophobicContact CD2-CB 4.48Å; L344-V354 HydrophobicContact CD2-CG1 4.35Å; L344-V354 HydrophobicContact CD2-CG2 4.11Å |
| 345 | K | 89.4 | Confident | 80.4 | Confident | 115 Ų | 115 | 82.4 Ų | 82.4 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.7 | -175.7 | -67.9 | 179.7 | -178.1 | 171.6 | 0 | 111.9 | Y326 L328 | Y326-K345 HydrophobicContact CD2-CB 4.15Å; Y326-K345 HydrophobicContact CD2-CD 4.16Å; Y326-K345 HydrophobicContact CD2-CG 3.92Å; Y326-K345 HydrophobicContact CE2-CD 3.76Å; Y326-K345 HydrophobicContact CE2-CG 3.79Å; L328-K345 HydrophobicContact CD1-CG 3.74Å |
| 346 | A | 84.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 102.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | W313 Y326 Y327 E349 V352 | W313-A346 HydrophobicContact CH2-CB 3.82Å; W313-A346 HydrophobicContact CZ2-CB 3.66Å; Y326-A346 WeakPolarHBondContact CA-O 3.42Å; Y326-A346 VanDerWaalsContact CB-O 3.31Å; Y326-A346 WeakPolarHBondContact CB-O 3.29Å; Y327-A346 PolarHBondContact N-O 3.01Å; Y327-A346 PolarHBondContact O-N 3.22Å; A346-E349 HydrophobicContact CB-CB 4.2Å; A346-V352 HydrophobicContact CB-CG2 3.53Å |
| 347 | I | 80 | Confident | 81.8 | Confident | 111 Ų | 111 | 79.8 Ų | 79.8 | 57% | 0.569 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -92.1 | 113.9 | -174.4 | -57.1 | 177.6 | 0 | 0 | 0 | 108.8 | E349 | I347-E349 PolarHBondContact O-N 3.12Š|
| 348 | N | 68.1 | Low | 83.2 | Confident | 120 Ų | 120 | 75.9 Ų | 75.9 | 64% | 0.642 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 59.6 | -10.9 | -171.3 | -65 | -52.5 | 0 | 0 | 0 | 116.8 | ||
| 349 | E | 76 | Confident | 84.4 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | trans | -76.8 | 146.3 | 177.3 | -69.4 | 157.7 | 170.8 | 0 | 0 | 112.4 | Y327 A346 I347 V352 | Y327-E349 WeakPolarHBondContact CD2-O 3.42Å; A346-E349 HydrophobicContact CB-CB 4.2Å; I347-E349 PolarHBondContact O-N 3.12Å; E349-V352 HydrophobicContact CB-CG2 4.24Å | ||
| 350 | T | 88 | Confident | 85.7 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -120.9 | 20.6 | 167 | 67.4 | 0 | 0 | 0 | 0 | 112 | K312 W313 R315 Y327 | K312-T350 WeakPolarHBondContact CA-O 3.13Å; W313-T350 PolarHBondContact N-O 3.21Å; W313-T350 WeakPolarHBondContact O-CB 3.31Å; W313-T350 PolarHBondContact O-OG1 2.74Å; R315-T350 HydrophobicContact CB-CG2 4.03Å; R315-T350 HydrophobicContact CG-CG2 4.39Å; Y327-T350 HydrophobicContact CE2-CG2 3.8Å |
| 351 | E | 91.5 | Very high | 86.4 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 126.9 | 179.9 | -173.4 | 164.2 | -154.8 | 0 | 0 | 108.1 | L311 K312 | L311-E351 CarbonylContact O-C 3.59Å; L311-E351 WeakPolarHBondContact O-CA 3.13Å; K312-E351 HydrophobicContact CB-CB 4.47Å; K312-E351 HydrophobicContact CB-CG 4.16Å; K312-E351 HydrophobicContact CG-CB 4.15Å; K312-E351 HydrophobicContact CG-CG 4.09Å; K312-E351 IonicContact NZ-OE1 3.07Å; K312-E351 PolarHBondContact NZ-OE1 2.75Å; K312-E351 IonicContact NZ-OE2 3.32Å; K312-E351 PolarHBondContact NZ-OE2 3.38Å |
| 352 | V | 90 | Very high | 86.6 | Confident | 15 Ų | 15 | 69 Ų | 69 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 134.7 | -170.9 | 164.8 | 0 | 0 | 0 | 0 | 110.9 | T310 L311 W313 L344 A346 E349 | T310-V352 CarbonylContact C-O 3.55Å; T310-V352 WeakPolarHBondContact CA-O 3.4Å; L311-V352 PolarHBondContact N-O 3.16Å; L311-V352 PolarHBondContact O-N 3.28Å; W313-V352 HydrophobicContact CH2-CB 3.97Å; W313-V352 HydrophobicContact CH2-CG2 3.72Å; W313-V352 HydrophobicContact CZ3-CB 4.28Å; W313-V352 HydrophobicContact CZ3-CG2 4.49Å; L344-V352 HydrophobicContact CD2-CG1 3.58Å; L344-V352 HydrophobicContact CG-CG1 4.42Å; A346-V352 HydrophobicContact CB-CG2 3.53Å; E349-V352 HydrophobicContact CB-CG2 4.24Å |
| 353 | N | 91.8 | Very high | 86.8 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.1 | 168.5 | -161.8 | 38.8 | 0 | 0 | 0 | 109.6 | S308 T310 E355 | S308-N353 PolarHBondContact OG-OD1 2.72Å; T310-N353 HydrophobicContact CG2-CB 4.34Å; T310-N353 PolarHBondContact OG1-OD1 3.17Å; N353-E355 HydrophobicContact CB-CG 4.38Å; N353-E355 WeakPolarHBondContact ND2-CG 3.43Å; N353-E355 PolarHBondContact ND2-OE1 2.82Å; N353-E355 PolarHBondContact O-N 3.14Å |
| 354 | V | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.1 | 172 | -169.3 | 0 | 0 | 0 | 0 | 107.5 | S308 V309 L311 V329 Y331 L344 L357 F365 | S308-V354 CarbonylContact C-O 3.56Å; S308-V354 WeakPolarHBondContact CA-O 3.42Å; S308-V354 WeakPolarHBondContact CB-O 3.26Å; V309-V354 PolarHBondContact N-O 3.29Å; V309-V354 PolarHBondContact O-N 2.74Å; L311-V354 HydrophobicContact CD1-CG2 3.9Å; V329-V354 HydrophobicContact CG1-CG2 4.21Å; Y331-V354 HydrophobicContact CD1-CG1 4.08Å; Y331-V354 HydrophobicContact CD2-CG1 3.87Å; Y331-V354 HydrophobicContact CE1-CG1 3.94Å; Y331-V354 HydrophobicContact CE2-CG1 3.71Å; Y331-V354 HydrophobicContact CG-CG1 4.06Å; L344-V354 HydrophobicContact CD2-CB 4.48Å; L344-V354 HydrophobicContact CD2-CG1 4.35Å; L344-V354 HydrophobicContact CD2-CG2 4.11Å; V354-L357 HydrophobicContact CG1-CD2 4.06Å; V354-F365 HydrophobicContact CB-CE1 4.06Å; V354-F365 HydrophobicContact CG1-CE1 4.13Å; V354-F365 HydrophobicContact CG2-CD1 4.17Å; V354-F365 HydrophobicContact CG2-CE1 4.03Å |
| 355 | E | 88.2 | Confident | 87.2 | Confident | 111 Ų | 111 | 60.1 Ų | 60.1 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 174.9 | -173.7 | -66.8 | -178.7 | -175.1 | 0 | 0 | 112.7 | R307 N353 L357 | R307-E355 CarbonylContact O-C 3.55Å; N353-E355 HydrophobicContact CB-CG 4.38Å; N353-E355 WeakPolarHBondContact ND2-CG 3.43Å; N353-E355 PolarHBondContact ND2-OE1 2.82Å; N353-E355 PolarHBondContact O-N 3.14Å; E355-L357 PolarHBondContact O-N 3.33Å |
| 356 | N | 86.8 | Confident | 87.4 | Confident | 149 Ų | 149 | 55.5 Ų | 55.5 | 80% | 0.797 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 61.5 | 25.5 | -179.2 | -55.9 | -75 | 0 | 0 | 0 | 114.7 | R307 | R307-N356 PolarHBondContact O-N 2.89Š|
| 357 | L | 90.2 | Very high | 87.7 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 153.2 | 169.7 | -55.2 | -179.2 | 0 | 0 | 0 | 110.5 | R307 V309 Y331 V354 E355 Y363 F365 T386 | R307-L357 WeakPolarHBondContact CA-O 3.41Å; R307-L357 PolarHBondContact O-N 2.88Å; V309-L357 HydrophobicContact CB-CD1 3.86Å; V309-L357 HydrophobicContact CG2-CD1 3.62Å; Y331-L357 HydrophobicContact CD2-CD2 4.01Å; Y331-L357 HydrophobicContact CE2-CD2 3.75Å; V354-L357 HydrophobicContact CG1-CD2 4.06Å; E355-L357 PolarHBondContact O-N 3.33Å; L357-Y363 HydrophobicContact CB-CD2 4.49Å; L357-Y363 HydrophobicContact CB-CE2 3.82Å; L357-Y363 HydrophobicContact CD1-CD2 4.33Å; L357-Y363 HydrophobicContact CD1-CE2 4.45Å; L357-Y363 HydrophobicContact CD2-CD1 4.08Å; L357-Y363 HydrophobicContact CD2-CD2 4.49Å; L357-Y363 HydrophobicContact CD2-CE1 3.79Å; L357-Y363 HydrophobicContact CD2-CE2 4.2Å; L357-Y363 HydrophobicContact CD2-CG 4.44Å; L357-Y363 HydrophobicContact CG-CE2 4.38Å; L357-F365 HydrophobicContact CD1-CE1 4.46Å; L357-F365 HydrophobicContact CD1-CZ 4.09Å; L357-T386 HydrophobicContact CB-CG2 3.87Å; L357-T386 HydrophobicContact CD1-CG2 4.14Å |
| 358 | E | 85 | Confident | 88.3 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 43% | 0.425 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 142 | 176.6 | -59.3 | -155 | 115.9 | 0 | 0 | 111 | T361 Y363 T386 K417 | E358-T361 HydrophobicContact CB-CG2 4.48Å; E358-T361 WeakPolarHBondContact O-CB 3.26Å; E358-Y363 PolarHBondContact N-OH 3.12Å; E358-T386 WeakPolarHBondContact O-CB 3.31Å; E358-T386 PolarHBondContact O-OG1 2.83Å; E358-K417 IonicContact OE1-NZ 2.67Å; E358-K417 PolarHBondContact OE1-NZ 3.1Å |
| 359 | P | 87.1 | Confident | 89.1 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 151.1 | 172.8 | -26.3 | 35.8 | 0 | 0 | 0 | 113.8 | S306 R307 T361 E389 N419 | S306-P359 WeakPolarHBondContact O-CA 3.39Å; R307-P359 HydrophobicContact CG-CG 4.18Å; P359-T361 PolarHBondContact O-N 3.09Å; P359-T361 VanDerWaalsContact O-N 3.14Å; P359-T361 PolarHBondContact O-OG1 3.06Å; P359-E389 HydrophobicContact CB-CB 4.06Å; P359-E389 HydrophobicContact CG-CB 4.15Å; P359-E389 WeakPolarHBondContact CG-OE2 3.45Å; P359-N419 HydrophobicContact CB-CB 4.44Å |
| 360 | F | 88.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 42.2 Ų | 42.2 | 50% | 0.496 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 37.2 | 176.4 | -159.5 | -112.1 | 0 | 0 | 0 | 114.9 | T386 S387 E388 | F360-T386 WeakPolarHBondContact CA-O 3.43Å; F360-T386 PolarHBondContact N-OG1 2.8Å; F360-S387 PolarHBondContact N-O 2.82Å; F360-E388 HydrophobicContact CD2-CG 3.45Å; F360-E388 VanDerWaalsContact CD2-CG 3.45Å; F360-E388 HydrophobicContact CE2-CG 3.8Å; F360-E388 HydrophobicContact CG-CG 4.2Å |
| 361 | T | 87.8 | Confident | 88.6 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | trans | -127.5 | 140.3 | -170.3 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | E358 P359 Y363 T385 T386 | E358-T361 HydrophobicContact CB-CG2 4.48Å; E358-T361 WeakPolarHBondContact O-CB 3.26Å; P359-T361 PolarHBondContact O-N 3.09Å; P359-T361 VanDerWaalsContact O-N 3.14Å; P359-T361 PolarHBondContact O-OG1 3.06Å; T361-Y363 HydrophobicContact CG2-CD2 4.21Å; T361-Y363 HydrophobicContact CG2-CE2 3.59Å; T361-T385 WeakPolarHBondContact O-CA 3.18Å; T361-T386 PolarHBondContact N-OG1 2.83Å; T361-T386 PolarHBondContact O-N 2.57Å; T361-T386 PolarHBondContact O-OG1 3.14Å | ||
| 362 | Q | 89.6 | Confident | 87.5 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.6 | -178.5 | -171.4 | 171.7 | 11.1 | 0 | 0 | 112 | P333 K334 Y335 E383 A384 | P333-Q362 WeakPolarHBondContact CA-O 3.36Å; K334-Q362 HydrophobicContact CB-CB 4.47Å; K334-Q362 HydrophobicContact CB-CG 4.11Å; K334-Q362 HydrophobicContact CD-CG 4.06Å; K334-Q362 PolarHBondContact N-O 3.35Å; Y335-Q362 HydrophobicContact CE2-CB 4.21Å; Y335-Q362 VanDerWaalsContact CE2-OE1 3.24Å; Y335-Q362 PolarHBondContact OH-OE1 3.49Å; Q362-E383 PolarHBondContact NE2-OE2 2.79Å; Q362-A384 CarbonylContact C-O 3.58Å; Q362-A384 WeakPolarHBondContact CA-O 3.36Å |
| 363 | Y | 91.4 | Very high | 86.1 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 153.2 | -175 | -73.2 | -92.8 | 0 | 0 | 0 | 112.5 | Y331 R332 P333 L357 E358 T361 F365 E383 A384 | Y331-Y363 HydrophobicContact CD2-CD1 4.49Å; R332-Y363 CarbonylContact O-C 3.45Å; R332-Y363 VanDerWaalsContact O-CA 3.31Å; R332-Y363 WeakPolarHBondContact O-CA 3.47Å; R332-Y363 WeakPolarHBondContact O-CD1 3.23Å; P333-Y363 HydrophobicContact CB-CE1 4.35Å; P333-Y363 HydrophobicContact CG-CD1 4.36Å; P333-Y363 HydrophobicContact CG-CE1 3.85Å; L357-Y363 HydrophobicContact CB-CD2 4.49Å; L357-Y363 HydrophobicContact CB-CE2 3.82Å; L357-Y363 HydrophobicContact CD1-CD2 4.33Å; L357-Y363 HydrophobicContact CD1-CE2 4.45Å; L357-Y363 HydrophobicContact CD2-CD1 4.08Å; L357-Y363 HydrophobicContact CD2-CD2 4.49Å; L357-Y363 HydrophobicContact CD2-CE1 3.79Å; L357-Y363 HydrophobicContact CD2-CE2 4.2Å; L357-Y363 HydrophobicContact CD2-CG 4.44Å; L357-Y363 HydrophobicContact CG-CE2 4.38Å; E358-Y363 PolarHBondContact N-OH 3.12Å; T361-Y363 HydrophobicContact CG2-CD2 4.21Å; T361-Y363 HydrophobicContact CG2-CE2 3.59Å; Y363-F365 VanDerWaalsContact CB-CE2 3.42Å; Y363-F365 HydrophobicContact CG-CZ 4.23Å; Y363-E383 VanDerWaalsContact O-CA 3.28Å; Y363-E383 WeakPolarHBondContact O-CA 3.23Å; Y363-A384 PolarHBondContact N-O 2.88Å; Y363-A384 PolarHBondContact O-N 3.31Å |
| 364 | E | 91.9 | Very high | 84.8 | Confident | 36 Ų | 36 | 40.1 Ų | 40.1 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.4 | 170.9 | 179.4 | -175.4 | -139.3 | 0 | 0 | 109.3 | Y331 R332 F341 P381 V382 | Y331-E364 CarbonylContact C-O 3.54Å; Y331-E364 VanDerWaalsContact CA-O 3.24Å; Y331-E364 WeakPolarHBondContact CA-O 3.28Å; R332-E364 HydrophobicContact CG-CB 4.44Å; R332-E364 IonicContact CZ-OE2 2.64Å; R332-E364 PolarHBondContact N-O 3.24Å; R332-E364 IonicContact NE-OE2 2.57Å; R332-E364 PolarHBondContact NE-OE2 3Å; R332-E364 IonicContact NH2-OE2 2.71Å; R332-E364 PolarHBondContact NH2-OE2 2.92Å; R332-E364 PolarHBondContact O-N 2.92Å; F341-E364 HydrophobicContact CE1-CG 4.42Å; E364-P381 HydrophobicContact CG-CB 3.83Å; E364-V382 CarbonylContact C-O 3.55Å; E364-V382 WeakPolarHBondContact CA-O 3.42Å |
| 365 | F | 93.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.2 | -177 | -50.1 | -103.7 | 0 | 0 | 0 | 111.7 | V309 L311 E330 Y331 V354 L357 Y363 P381 V382 A384 | V309-F365 HydrophobicContact CB-CE1 4.33Å; V309-F365 HydrophobicContact CB-CE2 4.4Å; V309-F365 HydrophobicContact CB-CZ 3.77Å; V309-F365 HydrophobicContact CG1-CE1 4.42Å; V309-F365 HydrophobicContact CG1-CE2 4.02Å; V309-F365 HydrophobicContact CG1-CZ 3.84Å; V309-F365 HydrophobicContact CG2-CZ 4.04Å; L311-F365 HydrophobicContact CD1-CB 3.85Å; L311-F365 HydrophobicContact CD1-CD1 3.73Å; L311-F365 HydrophobicContact CD1-CG 3.99Å; L311-F365 HydrophobicContact CD2-CB 4.22Å; L311-F365 HydrophobicContact CD2-CG 4.3Å; E330-F365 CarbonylContact O-C 3.52Å; E330-F365 WeakPolarHBondContact O-CA 3.37Å; Y331-F365 HydrophobicContact CD2-CE1 4.29Å; Y331-F365 HydrophobicContact CG-CD1 4.17Å; Y331-F365 HydrophobicContact CG-CE1 4.27Å; V354-F365 HydrophobicContact CB-CE1 4.06Å; V354-F365 HydrophobicContact CG1-CE1 4.13Å; V354-F365 HydrophobicContact CG2-CD1 4.17Å; V354-F365 HydrophobicContact CG2-CE1 4.03Å; L357-F365 HydrophobicContact CD1-CE1 4.46Å; L357-F365 HydrophobicContact CD1-CZ 4.09Å; Y363-F365 VanDerWaalsContact CB-CE2 3.42Å; Y363-F365 HydrophobicContact CG-CZ 4.23Å; F365-P381 CarbonylContact O-C 3.53Å; F365-P381 WeakPolarHBondContact O-CA 3.19Å; F365-V382 HydrophobicContact CB-CG2 4.04Å; F365-V382 PolarHBondContact N-O 2.64Å; F365-V382 PolarHBondContact O-N 2.9Å; F365-A384 HydrophobicContact CE2-CB 3.9Å |
| 366 | Q | 93 | Very high | 84 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 165.6 | 171.1 | 69 | -171.5 | 11.4 | 0 | 0 | 110.9 | V329 E330 F341 P378 P381 | V329-Q366 CarbonylContact C-O 3.53Å; V329-Q366 WeakPolarHBondContact CA-O 3.45Å; E330-Q366 HydrophobicContact CB-CG 3.71Å; E330-Q366 PolarHBondContact N-O 2.87Å; E330-Q366 PolarHBondContact O-N 2.92Å; E330-Q366 PolarHBondContact OE2-NE2 3.18Å; F341-Q366 HydrophobicContact CE1-CG 4.41Å; Q366-P378 HydrophobicContact CG-CB 4.13Å; Q366-P381 HydrophobicContact CB-CG 4.44Å |
| 367 | V | 92.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139.9 | -174.9 | -163.5 | 0 | 0 | 0 | 0 | 112.3 | P296 V299 W313 L328 V329 P378 S379 | P296-V367 WeakPolarHBondContact CD-O 3.37Å; P296-V367 HydrophobicContact CG-CB 4.25Å; P296-V367 HydrophobicContact CG-CG1 4.02Å; V299-V367 HydrophobicContact CG1-CG2 3.9Å; V299-V367 HydrophobicContact CG2-CB 4.18Å; V299-V367 HydrophobicContact CG2-CG2 3.84Å; W313-V367 HydrophobicContact CD2-CG1 4.18Å; W313-V367 HydrophobicContact CD2-CG2 4.4Å; W313-V367 HydrophobicContact CE3-CG1 4.45Å; W313-V367 HydrophobicContact CE3-CG2 4.04Å; W313-V367 HydrophobicContact CH2-CG1 4.5Å; W313-V367 HydrophobicContact CZ2-CG1 4.23Å; W313-V367 HydrophobicContact CZ3-CG2 4.33Å; L328-V367 CarbonylContact O-C 3.39Å; L328-V367 VanDerWaalsContact O-CA 3.3Å; L328-V367 WeakPolarHBondContact O-CA 3.18Å; V329-V367 HydrophobicContact CG2-CG1 4.25Å; V329-V367 HydrophobicContact CG2-CG2 4.28Å; V367-P378 CarbonylContact O-C 3.34Å; V367-S379 PolarHBondContact N-OG 2.82Å; V367-S379 WeakPolarHBondContact O-CB 3.43Å; V367-S379 PolarHBondContact O-N 2.77Å |
| 368 | R | 91.6 | Very high | 83.6 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 18% | 0.177 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 156.7 | 170.3 | -60.4 | 177 | -167.3 | -95.3 | -7.9 | 112.1 | Y327 L328 E330 S376 P378 | Y327-R368 CarbonylContact C-O 3.56Å; Y327-R368 WeakPolarHBondContact CA-O 3.29Å; Y327-R368 WeakPolarHBondContact CB-O 3.38Å; L328-R368 HydrophobicContact CB-CB 4.27Å; L328-R368 PolarHBondContact N-O 3.2Å; L328-R368 PolarHBondContact O-N 3.19Å; E330-R368 WeakPolarHBondContact OE1-CD 3.39Å; E330-R368 IonicContact OE1-CZ 3.79Å; E330-R368 IonicContact OE1-NE 3.88Å; E330-R368 PolarHBondContact OE1-NE 3.22Å; E330-R368 IonicContact OE1-NH2 3.17Å; E330-R368 IonicContact OE2-CZ 3.32Å; E330-R368 IonicContact OE2-NE 3.77Å; E330-R368 PolarHBondContact OE2-NE 3.25Å; E330-R368 IonicContact OE2-NH2 3.3Å; E330-R368 PolarHBondContact OE2-NH2 3.16Å; R368-S376 WeakPolarHBondContact CA-OG 3.25Å; R368-S376 WeakPolarHBondContact CD-O 3.38Å; R368-S376 PolarHBondContact NH1-O 2.69Å; R368-P378 HydrophobicContact CG-CB 4.19Å |
| 369 | T | 85.3 | Confident | 84 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 142.9 | 165 | -47.4 | 0 | 0 | 0 | 0 | 109.5 | Y294 P296 V324 Y327 T371 S376 | Y294-T369 WeakPolarHBondContact O-CB 3.07Å; Y294-T369 PolarHBondContact O-OG1 3.32Å; P296-T369 WeakPolarHBondContact CD-OG1 3.36Å; V324-T369 HydrophobicContact CB-CG2 4.28Å; V324-T369 HydrophobicContact CG1-CG2 3.72Å; V324-T369 HydrophobicContact CG2-CG2 3.62Å; Y327-T369 HydrophobicContact CD1-CG2 4.35Å; Y327-T369 HydrophobicContact CE1-CG2 4.03Å; T369-T371 HydrophobicContact CG2-CG2 4.42Å; T369-S376 PolarHBondContact N-OG 3.16Å; T369-S376 PolarHBondContact O-N 3.2Å; T369-S376 PolarHBondContact O-OG 2.91Å |
| 370 | V | 83.3 | Confident | 84 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | 170.7 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | L325 Y326 L328 G374 R375 | L325-V370 PolarHBondContact N-O 3.2Å; Y326-V370 HydrophobicContact CD1-CB 4.34Å; Y326-V370 HydrophobicContact CD2-CB 4.11Å; Y326-V370 HydrophobicContact CD2-CG2 3.89Å; Y326-V370 HydrophobicContact CE1-CB 4.15Å; Y326-V370 HydrophobicContact CE1-CG1 3.92Å; Y326-V370 HydrophobicContact CE2-CB 3.92Å; Y326-V370 HydrophobicContact CE2-CG1 4.24Å; Y326-V370 HydrophobicContact CE2-CG2 3.54Å; Y326-V370 HydrophobicContact CG-CB 4.32Å; Y326-V370 WeakPolarHBondContact O-CB 3.39Å; Y326-V370 PolarHBondContact O-N 3.44Å; L328-V370 HydrophobicContact CB-CG2 4.33Å; V370-G374 WeakPolarHBondContact CA-O 3.21Å; V370-R375 HydrophobicContact CG2-CG 4.16Å |
| 371 | T | 71.1 | Confident | 84 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 174.9 | 174.9 | 67 | 0 | 0 | 0 | 0 | 109.6 | A293 V324 T369 V373 G374 | A293-T371 HydrophobicContact CB-CG2 3.4Å; A293-T371 VanDerWaalsContact CB-CG2 3.4Å; V324-T371 HydrophobicContact CG2-CG2 4.5Å; T369-T371 HydrophobicContact CG2-CG2 4.42Å; T371-V373 PolarHBondContact O-N 3.28Å; T371-V373 PolarHBondContact OG1-N 2.72Å; T371-G374 PolarHBondContact N-O 2.96Å; T371-G374 PolarHBondContact O-N 2.95Å; T371-G374 VanDerWaalsContact O-N 3.13Å |
| 372 | P | 67 | Low | 84.2 | Confident | 92 Ų | 92 | 45 Ų | 45 | 60% | 0.597 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -13.8 | 174.8 | -26.5 | 36.3 | 0 | 0 | 0 | 115.3 | T323 L325 | T323-P372 WeakPolarHBondContact O-CD 3.31Å; L325-P372 HydrophobicContact CD1-CG 4.18Å; L325-P372 HydrophobicContact CD2-CG 4.2Å; L325-P372 HydrophobicContact CG-CG 4.26Å |
| 373 | V | 61.3 | Low | 84.3 | Confident | 29 Ų | 29 | 47 Ų | 47 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -30 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | M217 K290 Y322 T371 | M217-V373 HydrophobicContact SD-CG1 3.96Å; K290-V373 HydrophobicContact CB-CG1 4.24Å; K290-V373 HydrophobicContact CD-CG2 4.33Å; Y322-V373 HydrophobicContact CD1-CG2 3.66Å; Y322-V373 HydrophobicContact CE1-CG2 3.43Å; Y322-V373 VanDerWaalsContact CE1-CG2 3.43Å; Y322-V373 HydrophobicContact CG-CG2 4.45Å; T371-V373 PolarHBondContact O-N 3.28Å; T371-V373 PolarHBondContact OG1-N 2.72Å |
| 374 | G | 63.8 | Low | 84.3 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.8 | -167.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | V370 T371 | V370-G374 WeakPolarHBondContact CA-O 3.21Å; T371-G374 PolarHBondContact N-O 2.96Å; T371-G374 PolarHBondContact O-N 2.95Å; T371-G374 VanDerWaalsContact O-N 3.13Å |
| 375 | R | 81 | Confident | 84.2 | Confident | 109 Ų | 109 | 48 Ų | 48 | 41% | 0.411 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 141.5 | 170.9 | -60.9 | -176.4 | -179.5 | -167.6 | 1 | 110.4 | I292 L328 E330 E343 V370 | I292-R375 VanDerWaalsContact CG2-O 3.26Å; I292-R375 WeakPolarHBondContact CG2-O 3.39Å; L328-R375 VanDerWaalsContact CD2-CZ 3.44Å; E330-R375 IonicContact OE1-NH1 2.71Å; E343-R375 IonicContact OE1-CZ 3.9Å; E343-R375 IonicContact OE1-NH1 3.22Å; E343-R375 PolarHBondContact OE1-NH1 2.99Å; E343-R375 IonicContact OE1-NH2 3.38Å; E343-R375 PolarHBondContact OE1-NH2 3.34Å; E343-R375 IonicContact OE2-CZ 2.77Å; E343-R375 IonicContact OE2-NH1 2.77Å; E343-R375 IonicContact OE2-NH2 3.92Å; E343-R375 PolarHBondContact OE2-NH2 2.84Å; V370-R375 HydrophobicContact CG2-CG 4.16Å |
| 376 | S | 81.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 173.9 | 168.2 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | A293 R368 T369 | A293-S376 WeakPolarHBondContact O-CB 3.26Å; R368-S376 WeakPolarHBondContact CA-OG 3.25Å; R368-S376 WeakPolarHBondContact CD-O 3.38Å; R368-S376 PolarHBondContact NH1-O 2.69Å; T369-S376 PolarHBondContact N-OG 3.16Å; T369-S376 PolarHBondContact O-N 3.2Å; T369-S376 PolarHBondContact O-OG 2.91Å |
| 377 | Q | 81.9 | Confident | 83.8 | Confident | 136 Ų | 136 | 49.9 Ų | 49.9 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -58 | 157.4 | 155.1 | -64.1 | -62.2 | -4.9 | 0 | 0 | 110.7 | P295 | P295-Q377 WeakPolarHBondContact CB-O 3.19Š|
| 378 | P | 88.3 | Confident | 83.6 | Confident | 39 Ų | 39 | 53 Ų | 53 | 25% | 0.253 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 160.4 | 176.6 | 33.4 | -32.2 | 0 | 0 | 0 | 111.6 | Q366 V367 R368 | Q366-P378 HydrophobicContact CG-CB 4.13Å; V367-P378 CarbonylContact O-C 3.34Å; R368-P378 HydrophobicContact CG-CB 4.19Å |
| 379 | S | 91.7 | Very high | 83.4 | Confident | 14 Ų | 14 | 53 Ų | 53 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | trans | -63.4 | 177 | 164 | 72.4 | 0 | 0 | 0 | 0 | 111.1 | V367 | V367-S379 PolarHBondContact N-OG 2.82Å; V367-S379 WeakPolarHBondContact O-CB 3.43Å; V367-S379 PolarHBondContact O-N 2.77Å | ||
| 380 | R | 87.4 | Confident | 83.6 | Confident | 224 Ų | 224 | 55.6 Ų | 55.6 | 85% | 0.845 | 29% | 0.292 | S | S | * | . | trans | -65.2 | 143.7 | 158.6 | -67 | -177.7 | 177.1 | 179.7 | -1.2 | 109.5 | ||||
| 381 | P | 88.6 | Confident | 83.8 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | trans | -69.1 | 157.8 | 172.1 | -20.9 | 33.2 | 0 | 0 | 0 | 113.6 | E364 F365 Q366 | E364-P381 HydrophobicContact CG-CB 3.83Å; F365-P381 CarbonylContact O-C 3.53Å; F365-P381 WeakPolarHBondContact O-CA 3.19Å; Q366-P381 HydrophobicContact CB-CG 4.44Å | ||
| 382 | V | 92.3 | Very high | 84.6 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 156.8 | 170.4 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | V299 I301 L311 E364 F365 | V299-V382 HydrophobicContact CG1-CG1 4.25Å; V299-V382 HydrophobicContact CG1-CG2 4.07Å; I301-V382 HydrophobicContact CD1-CB 4.18Å; I301-V382 HydrophobicContact CD1-CG2 4.06Å; I301-V382 HydrophobicContact CG1-CG2 4.15Å; L311-V382 HydrophobicContact CD2-CG2 3.77Å; E364-V382 CarbonylContact C-O 3.55Å; E364-V382 WeakPolarHBondContact CA-O 3.42Å; F365-V382 HydrophobicContact CB-CG2 4.04Å; F365-V382 PolarHBondContact N-O 2.64Å; F365-V382 PolarHBondContact O-N 2.9Å |
| 383 | E | 92.9 | Very high | 85.5 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.2 | -174.8 | -59.6 | -175.4 | -172.1 | 0 | 0 | 112.9 | I301 K334 Q362 Y363 | I301-E383 WeakPolarHBondContact CD1-O 3.14Å; K334-E383 HydrophobicContact CD-CG 4.5Å; K334-E383 WeakPolarHBondContact CD-OE2 3.45Å; K334-E383 WeakPolarHBondContact CE-OE1 3.48Å; K334-E383 WeakPolarHBondContact CE-OE2 3.33Å; K334-E383 IonicContact NZ-OE1 3.49Å; K334-E383 PolarHBondContact NZ-OE1 2.71Å; K334-E383 IonicContact NZ-OE2 3.49Å; K334-E383 PolarHBondContact NZ-OE2 2.9Å; Q362-E383 PolarHBondContact NE2-OE2 2.79Å; Y363-E383 VanDerWaalsContact O-CA 3.28Å; Y363-E383 WeakPolarHBondContact O-CA 3.23Å |
| 384 | A | 90.7 | Very high | 86.9 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I301 V309 Q362 Y363 F365 | I301-A384 HydrophobicContact CD1-CB 3.85Å; V309-A384 HydrophobicContact CB-CB 4.4Å; V309-A384 HydrophobicContact CG1-CB 3.76Å; V309-A384 HydrophobicContact CG2-CB 3.7Å; Q362-A384 CarbonylContact C-O 3.58Å; Q362-A384 WeakPolarHBondContact CA-O 3.36Å; Y363-A384 PolarHBondContact N-O 2.88Å; Y363-A384 PolarHBondContact O-N 3.31Å; F365-A384 HydrophobicContact CE2-CB 3.9Å |
| 385 | T | 90.5 | Very high | 88.1 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.5 | 173.1 | -54.8 | 0 | 0 | 0 | 0 | 110 | T361 | T361-T385 WeakPolarHBondContact O-CA 3.18Å |
| 386 | T | 89.6 | Confident | 88.1 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 158.3 | 177.6 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | T305 L357 E358 F360 T361 | T305-T386 WeakPolarHBondContact O-CA 3.28Å; T305-T386 WeakPolarHBondContact O-CB 3.44Å; L357-T386 HydrophobicContact CB-CG2 3.87Å; L357-T386 HydrophobicContact CD1-CG2 4.14Å; E358-T386 WeakPolarHBondContact O-CB 3.31Å; E358-T386 PolarHBondContact O-OG1 2.83Å; F360-T386 WeakPolarHBondContact CA-O 3.43Å; F360-T386 PolarHBondContact N-OG1 2.8Å; T361-T386 PolarHBondContact N-OG1 2.83Å; T361-T386 PolarHBondContact O-N 2.57Å; T361-T386 PolarHBondContact O-OG1 3.14Å |
| 387 | S | 88.1 | Confident | 88 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -76 | 163.7 | -179.6 | -55.1 | 0 | 0 | 0 | 0 | 113.5 | T305 S306 F360 | T305-S387 PolarHBondContact O-N 3.06Å; S306-S387 WeakPolarHBondContact CB-O 3.28Å; F360-S387 PolarHBondContact N-O 2.82Å |
| 388 | E | 88.2 | Confident | 88.1 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 157.4 | 171.3 | -71.5 | -172 | -141 | 0 | 0 | 112.7 | F360 N419 G420 V473 | F360-E388 HydrophobicContact CD2-CG 3.45Å; F360-E388 VanDerWaalsContact CD2-CG 3.45Å; F360-E388 HydrophobicContact CE2-CG 3.8Å; F360-E388 HydrophobicContact CG-CG 4.2Å; E388-N419 VanDerWaalsContact CA-O 3.31Å; E388-N419 WeakPolarHBondContact CA-O 3.35Å; E388-N419 WeakPolarHBondContact CB-O 3.44Å; E388-G420 WeakPolarHBondContact OE2-CA 3.43Å; E388-V473 HydrophobicContact CB-CG2 3.85Å |
| 389 | E | 87.6 | Confident | 87.7 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | trans | -138.4 | 169.1 | 173.1 | -161.2 | 178.8 | 120.6 | 0 | 0 | 108.9 | R307 P359 N419 N471 | R307-E389 IonicContact CZ-OE1 2.92Å; R307-E389 IonicContact CZ-OE2 2.66Å; R307-E389 IonicContact NE-OE1 3.23Å; R307-E389 IonicContact NE-OE2 3.28Å; R307-E389 PolarHBondContact NE-OE2 3.03Å; R307-E389 VanDerWaalsContact NH2-CD 3.32Å; R307-E389 IonicContact NH2-OE1 3.5Å; R307-E389 PolarHBondContact NH2-OE1 3.45Å; R307-E389 IonicContact NH2-OE2 2.7Å; R307-E389 PolarHBondContact NH2-OE2 3.07Å; R307-E389 VanDerWaalsContact NH2-OE2 3.16Å; P359-E389 HydrophobicContact CB-CB 4.06Å; P359-E389 HydrophobicContact CG-CB 4.15Å; P359-E389 WeakPolarHBondContact CG-OE2 3.45Å; E389-N419 HydrophobicContact CB-CB 4Å; E389-N419 PolarHBondContact N-O 3.1Å; E389-N419 VanDerWaalsContact O-CB 3.26Å; E389-N419 WeakPolarHBondContact O-CB 2.96Å; E389-N471 PolarHBondContact O-ND2 3.02Å | ||
| 390 | V | 88.6 | Confident | 87.2 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | trans | -61.4 | 154.7 | 172.2 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | Q392 N419 V473 | V390-Q392 PolarHBondContact O-N 3.02Å; V390-N419 WeakPolarHBondContact O-CB 3.4Å; V390-N419 PolarHBondContact O-ND2 2.94Å; V390-V473 HydrophobicContact CG1-CB 4Å; V390-V473 HydrophobicContact CG1-CG1 3.74Å | ||
| 391 | P | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -59.8 | 125.3 | 179 | -18.9 | 32 | 0 | 0 | 0 | 109.9 | P415 I422 N471 G476 P477 | P391-P415 HydrophobicContact CB-CG 4.36Å; P391-I422 HydrophobicContact CB-CD1 4.29Å; P391-I422 HydrophobicContact CG-CD1 3.92Å; P391-N471 VanDerWaalsContact CD-CG 3.49Å; P391-N471 WeakPolarHBondContact CD-ND2 3.37Å; P391-N471 HydrophobicContact CG-CB 3.92Å; P391-G476 WeakPolarHBondContact O-CA 3.33Å; P391-P477 WeakPolarHBondContact O-CD 3.29Å | ||
| 392 | Q | 86.8 | Confident | 86.2 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | trans | -81.7 | -23 | -172.3 | 175.6 | 175.8 | 11.4 | 0 | 0 | 112.9 | V390 K417 N419 P477 | V390-Q392 PolarHBondContact O-N 3.02Å; Q392-K417 HydrophobicContact CB-CB 4.12Å; Q392-K417 PolarHBondContact N-O 3.5Å; Q392-N419 WeakPolarHBondContact CB-ND2 3.32Å; Q392-P477 WeakPolarHBondContact O-CG 3.47Å | ||
| 393 | N | 86.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -111 | 155.4 | -178.7 | -60.5 | 101.8 | 0 | 0 | 0 | 112.3 | P415 D416 K417 | N393-P415 HydrophobicContact CB-CB 4.09Å; N393-P415 WeakPolarHBondContact O-CB 3.2Å; N393-P415 WeakPolarHBondContact O-CG 3.49Å; N393-D416 HydrophobicContact CB-CB 4.33Å; N393-K417 VanDerWaalsContact OD1-CB 3.3Å; N393-K417 WeakPolarHBondContact OD1-CB 3.36Å; N393-K417 PolarHBondContact OD1-N 2.79Å |
| 394 | Q | 89 | Confident | 85.1 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 160.8 | 172.2 | 63.1 | -176.5 | 1 | 0 | 0 | 111.3 | K396 S479 | Q394-K396 PolarHBondContact O-N 2.73Å; Q394-S479 VanDerWaalsContact OE1-CA 3.25Å |
| 395 | P | 89.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 133.1 | 163.5 | -25.8 | 36.1 | 0 | 0 | 0 | 111.4 | V398 W412 E413 Y425 V467 A469 | P395-V398 HydrophobicContact CB-CG2 4.18Å; P395-W412 HydrophobicContact CB-CB 4.32Å; P395-W412 HydrophobicContact CB-CG 4.46Å; P395-E413 CarbonylContact C-O 3.46Å; P395-E413 VanDerWaalsContact CA-O 3.25Å; P395-E413 WeakPolarHBondContact CA-O 3.34Å; P395-E413 WeakPolarHBondContact CB-O 3.4Å; P395-Y425 HydrophobicContact CG-CD1 4.19Å; P395-Y425 HydrophobicContact CG-CE1 4.45Å; P395-V467 HydrophobicContact CB-CB 4.39Å; P395-V467 HydrophobicContact CB-CG1 4.31Å; P395-V467 WeakPolarHBondContact CD-O 3.49Å; P395-V467 HydrophobicContact CG-CB 4.24Å; P395-V467 HydrophobicContact CG-CG1 4.03Å; P395-V467 WeakPolarHBondContact CG-O 3.38Å; P395-A469 HydrophobicContact CG-CB 4.12Å |
| 396 | K | 82.3 | Confident | 84.5 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 164.6 | 179.4 | -82.2 | -178.6 | -74 | -173.3 | 0 | 111.8 | Q394 V398 W412 E413 P414 D416 | Q394-K396 PolarHBondContact O-N 2.73Å; K396-V398 PolarHBondContact O-N 3.31Å; K396-W412 CarbonylContact O-C 3.59Å; K396-W412 WeakPolarHBondContact O-CA 3.45Å; K396-E413 HydrophobicContact CB-CB 3.71Å; K396-E413 PolarHBondContact N-O 3.47Å; K396-E413 PolarHBondContact O-N 2.76Å; K396-P414 WeakPolarHBondContact CE-O 3.43Å; K396-D416 WeakPolarHBondContact CD-OD1 3.49Å; K396-D416 WeakPolarHBondContact CD-OD2 3.42Å; K396-D416 VanDerWaalsContact CE-OD1 3.29Å; K396-D416 WeakPolarHBondContact CE-OD1 3.42Å; K396-D416 IonicContact NZ-OD1 2.73Å; K396-D416 PolarHBondContact NZ-OD1 3.19Å |
| 397 | N | 79.3 | Confident | 84.4 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.3 | 37.7 | 169 | -63.5 | -9.8 | 0 | 0 | 0 | 114.8 | H399 E413 | N397-H399 PolarHBondContact O-N 3.37Å; N397-H399 PolarHBondContact O-ND1 2.82Å; N397-E413 HydrophobicContact CB-CG 4.41Å; N397-E413 VanDerWaalsContact ND2-CD 3.27Å; N397-E413 PolarHBondContact ND2-OE1 2.69Å; N397-E413 PolarHBondContact ND2-OE2 2.96Å |
| 398 | V | 84.6 | Confident | 84.4 | Confident | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 120.3 | 175.4 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | P395 K396 Q411 W412 V467 V482 | P395-V398 HydrophobicContact CB-CG2 4.18Å; K396-V398 PolarHBondContact O-N 3.31Å; V398-Q411 VanDerWaalsContact CA-O 3.32Å; V398-Q411 WeakPolarHBondContact CA-O 3.08Å; V398-W412 HydrophobicContact CG2-CB 3.87Å; V398-V467 HydrophobicContact CG1-CG2 3.71Å; V398-V467 HydrophobicContact CG2-CB 4.27Å; V398-V467 HydrophobicContact CG2-CG2 4.23Å; V398-V482 HydrophobicContact CB-CG2 4.23Å; V398-V482 HydrophobicContact CG1-CG2 3.91Å; V398-V482 WeakPolarHBondContact O-CG2 3.25Å |
| 399 | H | 78.8 | Confident | 84.3 | Confident | 39 Ų | 39 | 44 Ų | 44 | 18% | 0.181 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 154.6 | 178 | 59.7 | -75.9 | 0 | 0 | 0 | 111.4 | N397 V410 Q411 L515 | N397-H399 PolarHBondContact O-N 3.37Å; N397-H399 PolarHBondContact O-ND1 2.82Å; H399-V410 WeakPolarHBondContact O-CA 3.45Å; H399-Q411 PolarHBondContact N-O 3.4Å; H399-Q411 PolarHBondContact ND1-O 2.78Å; H399-Q411 PolarHBondContact O-N 2.77Å; H399-Q411 VanDerWaalsContact O-N 3.09Å; H399-L515 HydrophobicContact CB-CD1 4.34Å |
| 400 | S | 81.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.8 | -179.1 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | M409 V482 V484 | S400-M409 WeakPolarHBondContact CA-O 3.35Å; S400-V482 WeakPolarHBondContact OG-CG1 3.33Å; S400-V484 WeakPolarHBondContact OG-CG1 3.32Å |
| 401 | R | 78.1 | Confident | 84.5 | Confident | 87 Ų | 87 | 43.1 Ų | 43.1 | 33% | 0.328 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143.9 | 179.6 | 72.4 | -166.4 | -174.3 | 125.1 | -3.8 | 111.6 | V403 V408 M409 F516 | R401-V403 HydrophobicContact CG-CG1 4.09Å; R401-V403 PolarHBondContact O-N 3.22Å; R401-V408 CarbonylContact O-C 3.55Å; R401-V408 VanDerWaalsContact O-CA 3.23Å; R401-V408 WeakPolarHBondContact O-CA 3.35Å; R401-M409 HydrophobicContact CG-CB 4.14Å; R401-M409 PolarHBondContact N-O 2.78Å; R401-M409 PolarHBondContact NE-SD 2.71Å; R401-M409 VanDerWaalsContact NE-SD 3.41Å; R401-M409 PolarHBondContact NH2-SD 2.85Å; R401-M409 PolarHBondContact O-N 2.77Å; R401-F516 HydrophobicContact CB-CD2 3.75Å; R401-F516 HydrophobicContact CB-CE2 3.83Å; R401-F516 HydrophobicContact CB-CG 4.46Å; R401-F516 HydrophobicContact CG-CD2 4.4Å; R401-F516 HydrophobicContact CG-CE2 4.15Å; R401-F516 HydrophobicContact CG-CZ 4.46Å |
| 402 | A | 77.9 | Confident | 84.6 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 119.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V484 | A402-V484 HydrophobicContact CB-CG2 4.44Å |
| 403 | V | 80.8 | Confident | 84.6 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -15 | 173.2 | -77.1 | 0 | 0 | 0 | 0 | 112.1 | R401 S407 M409 | R401-V403 HydrophobicContact CG-CG1 4.09Å; R401-V403 PolarHBondContact O-N 3.22Å; V403-S407 WeakPolarHBondContact CG2-O 3.3Å; V403-S407 PolarHBondContact N-O 3.31Å; V403-M409 HydrophobicContact CG1-CB 3.84Å; V403-M409 HydrophobicContact CG2-CB 4.34Å |
| 404 | S | 80.9 | Confident | 84.6 | Confident | 33 Ų | 33 | 42 Ų | 42 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 175.2 | 160.8 | 79.4 | 0 | 0 | 0 | 0 | 109 | T406 S407 | S404-T406 PolarHBondContact O-N 2.75Å; S404-T406 PolarHBondContact OG-N 2.65Å; S404-T406 PolarHBondContact OG-OG1 3.01Å; S404-S407 WeakPolarHBondContact CB-OG 3.18Å; S404-S407 PolarHBondContact N-O 3.5Å; S404-S407 PolarHBondContact O-N 3.36Å; S404-S407 PolarHBondContact OG-N 3.47Å; S404-S407 VanDerWaalsContact OG-N 3.16Å; S404-S407 PolarHBondContact OG-OG 2.86Å |
| 405 | P | 83.4 | Confident | 84.6 | Confident | 51 Ų | 51 | 39 Ų | 39 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.7 | 169.5 | -25.8 | 36.5 | 0 | 0 | 0 | 114.6 | Q459 | P405-Q459 HydrophobicContact CB-CB 4.2Å; P405-Q459 HydrophobicContact CB-CG 3.69Å; P405-Q459 WeakPolarHBondContact O-CA 3.4Å; P405-Q459 WeakPolarHBondContact O-CG 3.22Å |
| 406 | T | 85.5 | Confident | 84.3 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | 14.8 | -177.4 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | S404 G456 L457 Q459 | S404-T406 PolarHBondContact O-N 2.75Å; S404-T406 PolarHBondContact OG-N 2.65Å; S404-T406 PolarHBondContact OG-OG1 3.01Å; T406-G456 PolarHBondContact O-N 3.32Å; T406-L457 VanDerWaalsContact CA-O 3.26Å; T406-L457 WeakPolarHBondContact CA-O 3.44Å; T406-L457 VanDerWaalsContact CB-O 3.25Å; T406-L457 WeakPolarHBondContact CB-O 3.42Å; T406-L457 WeakPolarHBondContact CG2-O 3.45Å; T406-L457 PolarHBondContact O-N 3.33Å; T406-Q459 HydrophobicContact CG2-CG 3.88Å |
| 407 | S | 86.3 | Confident | 84.4 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 145.7 | 178.1 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | V403 S404 I454 | V403-S407 WeakPolarHBondContact CG2-O 3.3Å; V403-S407 PolarHBondContact N-O 3.31Å; S404-S407 WeakPolarHBondContact CB-OG 3.18Å; S404-S407 PolarHBondContact N-O 3.5Å; S404-S407 PolarHBondContact O-N 3.36Å; S404-S407 PolarHBondContact OG-N 3.47Å; S404-S407 VanDerWaalsContact OG-N 3.16Å; S404-S407 PolarHBondContact OG-OG 2.86Å; S407-I454 CarbonylContact C-O 3.49Å; S407-I454 VanDerWaalsContact CA-O 3.31Å; S407-I454 WeakPolarHBondContact CA-O 3.23Å; S407-I454 WeakPolarHBondContact CB-O 3.48Å |
| 408 | V | 87.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.6 | -178.6 | 162.9 | 0 | 0 | 0 | 0 | 110 | R401 V410 I454 L457 V484 T486 | R401-V408 CarbonylContact O-C 3.55Å; R401-V408 VanDerWaalsContact O-CA 3.23Å; R401-V408 WeakPolarHBondContact O-CA 3.35Å; V408-V410 HydrophobicContact CG1-CG2 4.03Å; V408-I454 PolarHBondContact N-O 3.37Å; V408-I454 PolarHBondContact O-N 2.85Å; V408-I454 VanDerWaalsContact O-O 3.13Å; V408-L457 HydrophobicContact CB-CD1 3.67Å; V408-L457 HydrophobicContact CG2-CD1 3.53Å; V408-V484 HydrophobicContact CG1-CG1 3.93Å; V408-V484 HydrophobicContact CG2-CG1 3.83Å; V408-V484 HydrophobicContact CG2-CG2 4.28Å; V408-T486 HydrophobicContact CG2-CG2 4.26Å |
| 409 | M | 87.8 | Confident | 84.6 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 22% | 0.222 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.7 | 170.5 | 174 | 177.7 | -79.6 | 0 | 0 | 109.5 | S400 R401 V403 L451 V453 | S400-M409 WeakPolarHBondContact CA-O 3.35Å; R401-M409 HydrophobicContact CG-CB 4.14Å; R401-M409 PolarHBondContact N-O 2.78Å; R401-M409 PolarHBondContact NE-SD 2.71Å; R401-M409 VanDerWaalsContact NE-SD 3.41Å; R401-M409 PolarHBondContact NH2-SD 2.85Å; R401-M409 PolarHBondContact O-N 2.77Å; V403-M409 HydrophobicContact CG1-CB 3.84Å; V403-M409 HydrophobicContact CG2-CB 4.34Å; M409-L451 HydrophobicContact SD-CD1 4.48Å; M409-V453 HydrophobicContact CB-CG2 4.38Å; M409-V453 HydrophobicContact CE-CG2 4.01Å; M409-V453 HydrophobicContact CG-CG2 4.4Å |
| 410 | V | 90.1 | Very high | 85 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.2 | -175.9 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | H399 V408 W412 V427 L451 T452 I454 V465 V467 | H399-V410 WeakPolarHBondContact O-CA 3.45Å; V408-V410 HydrophobicContact CG1-CG2 4.03Å; V410-W412 HydrophobicContact CB-CZ3 4.45Å; V410-W412 HydrophobicContact CG1-CE3 4.15Å; V410-W412 HydrophobicContact CG1-CZ3 4.14Å; V410-V427 HydrophobicContact CG1-CG1 4.27Å; V410-L451 CarbonylContact O-C 3.59Å; V410-L451 WeakPolarHBondContact O-CA 3.14Å; V410-T452 HydrophobicContact CB-CG2 4.49Å; V410-T452 PolarHBondContact N-O 2.68Å; V410-T452 PolarHBondContact O-N 3.06Å; V410-I454 HydrophobicContact CG2-CD1 3.68Å; V410-I454 HydrophobicContact CG2-CG1 4.14Å; V410-V465 HydrophobicContact CG1-CG1 3.76Å; V410-V465 HydrophobicContact CG2-CG1 3.88Å; V410-V465 HydrophobicContact CG2-CG2 4.49Å; V410-V467 HydrophobicContact CG1-CG2 4.3Å |
| 411 | Q | 89.7 | Confident | 85.2 | Confident | 80 Ų | 80 | 43.9 Ų | 43.9 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150 | -176.6 | 177.4 | 179.7 | -21.8 | 0 | 0 | 111 | V398 H399 R450 L451 | V398-Q411 VanDerWaalsContact CA-O 3.32Å; V398-Q411 WeakPolarHBondContact CA-O 3.08Å; H399-Q411 PolarHBondContact N-O 3.4Å; H399-Q411 PolarHBondContact ND1-O 2.78Å; H399-Q411 PolarHBondContact O-N 2.77Å; H399-Q411 VanDerWaalsContact O-N 3.09Å; Q411-R450 WeakPolarHBondContact CA-O 3.33Å; Q411-R450 WeakPolarHBondContact CG-O 3.5Å; Q411-L451 HydrophobicContact CB-CB 4.39Å; Q411-L451 HydrophobicContact CB-CD1 4.29Å; Q411-L451 HydrophobicContact CB-CG 4.42Å; Q411-L451 HydrophobicContact CG-CB 4.33Å; Q411-L451 HydrophobicContact CG-CD1 4.34Å |
| 412 | W | 90.5 | Very high | 85.7 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 2% | 0.023 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 179.1 | -173.2 | 60.7 | 92.3 | 0 | 0 | 0 | 113.7 | P395 K396 V398 V410 Y425 V427 V445 R450 T452 V467 | P395-W412 HydrophobicContact CB-CB 4.32Å; P395-W412 HydrophobicContact CB-CG 4.46Å; K396-W412 CarbonylContact O-C 3.59Å; K396-W412 WeakPolarHBondContact O-CA 3.45Å; V398-W412 HydrophobicContact CG2-CB 3.87Å; V410-W412 HydrophobicContact CB-CZ3 4.45Å; V410-W412 HydrophobicContact CG1-CE3 4.15Å; V410-W412 HydrophobicContact CG1-CZ3 4.14Å; W412-Y425 AromaticContact CD1-CD1 3.8Å; W412-Y425 AromaticContact CD1-CE1 3.79Å; W412-Y425 HydrophobicContact CZ2-CG 4.41Å; W412-Y425 AromaticContact NE1-CD1 3.37Å; W412-Y425 AromaticContact NE1-CD2 3.58Å; W412-Y425 AromaticContact NE1-CE1 3.65Å; W412-Y425 AromaticContact NE1-CE2 3.85Å; W412-Y425 AromaticContact NE1-CG 3.34Å; W412-Y425 VanDerWaalsContact NE1-CG 3.34Å; W412-Y425 AromaticContact NE1-CZ 3.89Å; W412-V427 HydrophobicContact CE3-CG2 4.48Å; W412-V427 HydrophobicContact CH2-CG2 3.56Å; W412-V427 HydrophobicContact CZ2-CG2 4.22Å; W412-V427 HydrophobicContact CZ3-CG2 3.71Å; W412-V445 HydrophobicContact CH2-CG2 3.98Å; W412-V445 HydrophobicContact CZ2-CB 4.32Å; W412-V445 HydrophobicContact CZ2-CG1 4.21Å; W412-V445 HydrophobicContact CZ2-CG2 4.1Å; W412-R450 PolarHBondContact N-O 2.86Å; W412-R450 WeakPolarHBondContact O-CB 3.34Å; W412-T452 HydrophobicContact CH2-CG2 4.2Å; W412-T452 HydrophobicContact CZ3-CG2 4.19Å; W412-V467 HydrophobicContact CD2-CG1 3.84Å; W412-V467 HydrophobicContact CD2-CG2 4.24Å; W412-V467 HydrophobicContact CE3-CG1 4.25Å; W412-V467 HydrophobicContact CE3-CG2 3.94Å; W412-V467 HydrophobicContact CG-CG1 4.03Å; W412-V467 HydrophobicContact CZ2-CG1 4.5Å |
| 413 | E | 87.1 | Confident | 86.2 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 164.9 | 176.7 | -84 | 173.8 | -139.5 | 0 | 0 | 111.9 | P395 K396 N397 | P395-E413 CarbonylContact C-O 3.46Å; P395-E413 VanDerWaalsContact CA-O 3.25Å; P395-E413 WeakPolarHBondContact CA-O 3.34Å; P395-E413 WeakPolarHBondContact CB-O 3.4Å; K396-E413 HydrophobicContact CB-CB 3.71Å; K396-E413 PolarHBondContact N-O 3.47Å; K396-E413 PolarHBondContact O-N 2.76Å; N397-E413 HydrophobicContact CB-CG 4.41Å; N397-E413 VanDerWaalsContact ND2-CD 3.27Å; N397-E413 PolarHBondContact ND2-OE1 2.69Å; N397-E413 PolarHBondContact ND2-OE2 2.96Å |
| 414 | P | 87.2 | Confident | 86.7 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 25% | 0.253 | 24% | 0.235 | S | C | . | . | trans | -67.7 | 160.4 | 179.1 | -16.1 | 32 | 0 | 0 | 0 | 112.9 | K396 | K396-P414 WeakPolarHBondContact CE-O 3.43Š| ||
| 415 | P | 87.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.071 | 22% | 0.224 | C | C | . | . | trans | -55.9 | 156.4 | 168.7 | -28.1 | 37.7 | 0 | 0 | 0 | 114.4 | P391 N393 I422 A469 | P391-P415 HydrophobicContact CB-CG 4.36Å; N393-P415 HydrophobicContact CB-CB 4.09Å; N393-P415 WeakPolarHBondContact O-CB 3.2Å; N393-P415 WeakPolarHBondContact O-CG 3.49Å; P415-I422 HydrophobicContact CG-CD1 4.41Å; P415-A469 HydrophobicContact CG-CB 3.71Å | ||
| 416 | D | 83.1 | Confident | 87.7 | Confident | 102 Ų | 102 | 37.7 Ų | 37.7 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -69.5 | -61.6 | 169.4 | -63.7 | -70.5 | 0 | 0 | 0 | 112.1 | N393 K396 | N393-D416 HydrophobicContact CB-CB 4.33Å; K396-D416 WeakPolarHBondContact CD-OD1 3.49Å; K396-D416 WeakPolarHBondContact CD-OD2 3.42Å; K396-D416 VanDerWaalsContact CE-OD1 3.29Å; K396-D416 WeakPolarHBondContact CE-OD1 3.42Å; K396-D416 IonicContact NZ-OD1 2.73Å; K396-D416 PolarHBondContact NZ-OD1 3.19Å |
| 417 | K | 84 | Confident | 88 | Confident | 76 Ų | 76 | 34.9 Ų | 34.9 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | trans | -96.8 | 97.5 | 173 | -68.9 | -168.8 | 164.9 | -164.9 | 0 | 110.8 | E358 Q392 N393 N419 | E358-K417 IonicContact OE1-NZ 2.67Å; E358-K417 PolarHBondContact OE1-NZ 3.1Å; Q392-K417 HydrophobicContact CB-CB 4.12Å; Q392-K417 PolarHBondContact N-O 3.5Å; N393-K417 VanDerWaalsContact OD1-CB 3.3Å; N393-K417 WeakPolarHBondContact OD1-CB 3.36Å; N393-K417 PolarHBondContact OD1-N 2.79Å; K417-N419 VanDerWaalsContact C-N 3.34Å | ||
| 418 | A | 83.4 | Confident | 88.3 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | trans | -75 | -21.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | G420 I422 N471 | A418-G420 WeakPolarHBondContact CB-O 3.4Å; A418-G420 PolarHBondContact O-N 2.72Å; A418-I422 HydrophobicContact CB-CD1 3.9Å; A418-I422 HydrophobicContact CB-CG1 4Å; A418-N471 PolarHBondContact O-ND2 2.94Å | ||
| 419 | N | 85.1 | Confident | 88.6 | Confident | 16 Ų | 16 | 37 Ų | 37 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 52.5 | 15.9 | 178.6 | -64.4 | -10.8 | 0 | 0 | 0 | 116.1 | P359 E388 E389 V390 Q392 K417 | P359-N419 HydrophobicContact CB-CB 4.44Å; E388-N419 VanDerWaalsContact CA-O 3.31Å; E388-N419 WeakPolarHBondContact CA-O 3.35Å; E388-N419 WeakPolarHBondContact CB-O 3.44Å; E389-N419 HydrophobicContact CB-CB 4Å; E389-N419 PolarHBondContact N-O 3.1Å; E389-N419 VanDerWaalsContact O-CB 3.26Å; E389-N419 WeakPolarHBondContact O-CB 2.96Å; V390-N419 WeakPolarHBondContact O-CB 3.4Å; V390-N419 PolarHBondContact O-ND2 2.94Å; Q392-N419 WeakPolarHBondContact CB-ND2 3.32Å; K417-N419 VanDerWaalsContact C-N 3.34Å |
| 420 | G | 86.1 | Confident | 88.8 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 157.9 | -175.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110 | E388 A418 | E388-G420 WeakPolarHBondContact OE2-CA 3.43Å; A418-G420 WeakPolarHBondContact CB-O 3.4Å; A418-G420 PolarHBondContact O-N 2.72Å |
| 421 | V | 86.9 | Confident | 88.7 | Confident | 92 Ų | 92 | 37.3 Ų | 37.3 | 56% | 0.558 | 20% | 0.204 | S | C | * | . | trans | -90.2 | 123.8 | -174.9 | -176.1 | 0 | 0 | 0 | 0 | 112 | N471 | V421-N471 VanDerWaalsContact O-CA 3.23Å; V421-N471 WeakPolarHBondContact O-CA 3.39Å; V421-N471 WeakPolarHBondContact O-CB 3.47Å | ||
| 422 | I | 87.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 40.7 Ų | 40.7 | 19% | 0.19 | 21% | 0.213 | C | C | . | . | trans | -70.5 | 134.3 | -179.9 | -57.8 | -62.3 | 0 | 0 | 0 | 111.7 | P391 P415 A418 Y425 R470 N471 | P391-I422 HydrophobicContact CB-CD1 4.29Å; P391-I422 HydrophobicContact CG-CD1 3.92Å; P415-I422 HydrophobicContact CG-CD1 4.41Å; A418-I422 HydrophobicContact CB-CD1 3.9Å; A418-I422 HydrophobicContact CB-CG1 4Å; I422-Y425 HydrophobicContact CG2-CE2 4.49Å; I422-R470 CarbonylContact C-O 3.57Å; I422-R470 VanDerWaalsContact CA-O 3.3Å; I422-R470 WeakPolarHBondContact CA-O 3.41Å; I422-N471 HydrophobicContact CD1-CB 4.38Å | ||
| 423 | L | 89.3 | Confident | 88.1 | Confident | 83 Ų | 83 | 44 Ų | 44 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | trans | -117.1 | -18.8 | -174.1 | -56.9 | -179 | 0 | 0 | 0 | 114.7 | G447 R470 | L423-G447 WeakPolarHBondContact O-CA 3.23Å; L423-G447 PolarHBondContact O-N 3.15Å; L423-G447 VanDerWaalsContact O-N 3.09Å; L423-R470 PolarHBondContact N-O 3.11Å | ||
| 424 | G | 90.3 | Very high | 87.7 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | 175.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V445 G447 R470 | G424-V445 WeakPolarHBondContact CA-O 3.09Å; G424-G447 WeakPolarHBondContact CA-O 3.22Å; G424-R470 PolarHBondContact O-N 3.48Å |
| 425 | Y | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 152.6 | 178.1 | -54.9 | -93.9 | 0 | 0 | 0 | 112.4 | P395 W412 I422 V445 N448 D449 V467 Q468 A469 | P395-Y425 HydrophobicContact CG-CD1 4.19Å; P395-Y425 HydrophobicContact CG-CE1 4.45Å; W412-Y425 AromaticContact CD1-CD1 3.8Å; W412-Y425 AromaticContact CD1-CE1 3.79Å; W412-Y425 HydrophobicContact CZ2-CG 4.41Å; W412-Y425 AromaticContact NE1-CD1 3.37Å; W412-Y425 AromaticContact NE1-CD2 3.58Å; W412-Y425 AromaticContact NE1-CE1 3.65Å; W412-Y425 AromaticContact NE1-CE2 3.85Å; W412-Y425 AromaticContact NE1-CG 3.34Å; W412-Y425 VanDerWaalsContact NE1-CG 3.34Å; W412-Y425 AromaticContact NE1-CZ 3.89Å; I422-Y425 HydrophobicContact CG2-CE2 4.49Å; Y425-V445 PolarHBondContact N-O 2.64Å; Y425-V445 WeakPolarHBondContact O-CA 3.35Å; Y425-V445 PolarHBondContact O-N 2.79Å; Y425-N448 PolarHBondContact OH-OD1 2.86Å; Y425-D449 VanDerWaalsContact CD2-O 3.28Å; Y425-D449 WeakPolarHBondContact CD2-O 3.4Å; Y425-D449 WeakPolarHBondContact CE2-O 3.41Å; Y425-V467 HydrophobicContact CD1-CG1 4.5Å; Y425-Q468 CarbonylContact C-O 3.59Å; Y425-Q468 WeakPolarHBondContact CA-O 3.15Å; Y425-Q468 WeakPolarHBondContact CB-O 3.07Å; Y425-A469 HydrophobicContact CD1-CB 3.78Å; Y425-A469 HydrophobicContact CE1-CB 3.83Å |
| 426 | A | 91.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | F428 T442 E444 V467 Q468 | A426-F428 HydrophobicContact CB-CE2 3.76Å; A426-F428 HydrophobicContact CB-CZ 4Å; A426-T442 HydrophobicContact CB-CG2 4.3Å; A426-E444 WeakPolarHBondContact CB-OE1 3.21Å; A426-V467 CarbonylContact O-C 3.54Å; A426-V467 VanDerWaalsContact O-CA 3.29Å; A426-V467 WeakPolarHBondContact O-CA 3.23Å; A426-Q468 PolarHBondContact N-O 3.25Å; A426-Q468 PolarHBondContact O-N 2.95Å |
| 427 | V | 92.2 | Very high | 87 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.9 | -177 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | V410 W412 T442 K443 V445 T452 I454 V465 R466 V467 | V410-V427 HydrophobicContact CG1-CG1 4.27Å; W412-V427 HydrophobicContact CE3-CG2 4.48Å; W412-V427 HydrophobicContact CH2-CG2 3.56Å; W412-V427 HydrophobicContact CZ2-CG2 4.22Å; W412-V427 HydrophobicContact CZ3-CG2 3.71Å; V427-T442 CarbonylContact O-C 3.59Å; V427-T442 WeakPolarHBondContact O-CA 3.34Å; V427-K443 HydrophobicContact CB-CB 4.48Å; V427-K443 PolarHBondContact N-O 3.46Å; V427-K443 PolarHBondContact O-N 3.28Å; V427-V445 HydrophobicContact CG2-CG2 4.36Å; V427-T452 HydrophobicContact CB-CG2 4.49Å; V427-T452 HydrophobicContact CG1-CG2 4.4Å; V427-T452 HydrophobicContact CG2-CG2 4.08Å; V427-I454 HydrophobicContact CG1-CD1 4.32Å; V427-V465 HydrophobicContact CG1-CG1 4.03Å; V427-R466 CarbonylContact C-O 3.53Å; V427-R466 WeakPolarHBondContact CA-O 3.23Å; V427-V467 HydrophobicContact CG1-CG2 4.3Å; V427-V467 HydrophobicContact CG2-CG1 4.15Å; V427-V467 HydrophobicContact CG2-CG2 4.16Å |
| 428 | F | 93.5 | Very high | 86.8 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.1 | -175.3 | -56.4 | -100 | 0 | 0 | 0 | 111.1 | A426 F437 W440 L441 T442 V465 R466 Q468 I478 | A426-F428 HydrophobicContact CB-CE2 3.76Å; A426-F428 HydrophobicContact CB-CZ 4Å; F428-F437 HydrophobicContact CB-CE2 3.83Å; F428-F437 HydrophobicContact CB-CZ 4.05Å; F428-F437 HydrophobicContact CD1-CE1 4.22Å; F428-F437 AromaticContact CD1-CE2 3.91Å; F428-F437 HydrophobicContact CD1-CE2 3.91Å; F428-F437 AromaticContact CD1-CZ 3.35Å; F428-F437 HydrophobicContact CD1-CZ 3.35Å; F428-F437 HydrophobicContact CD2-CE2 4.46Å; F428-F437 AromaticContact CD2-CZ 3.89Å; F428-F437 HydrophobicContact CD2-CZ 3.89Å; F428-F437 HydrophobicContact CE1-CE1 4.09Å; F428-F437 AromaticContact CE1-CZ 3.6Å; F428-F437 HydrophobicContact CE1-CZ 3.6Å; F428-F437 HydrophobicContact CE2-CZ 4.12Å; F428-F437 AromaticContact CG-CE2 3.84Å; F428-F437 HydrophobicContact CG-CE2 3.84Å; F428-F437 AromaticContact CG-CZ 3.5Å; F428-F437 HydrophobicContact CG-CZ 3.5Å; F428-F437 HydrophobicContact CZ-CE1 4.43Å; F428-F437 AromaticContact CZ-CZ 3.98Å; F428-F437 HydrophobicContact CZ-CZ 3.98Å; F428-W440 HydrophobicContact CB-CB 4.49Å; F428-W440 HydrophobicContact CB-CE3 4.28Å; F428-L441 CarbonylContact C-O 3.51Å; F428-L441 VanDerWaalsContact CA-O 3.27Å; F428-L441 WeakPolarHBondContact CA-O 3.34Å; F428-T442 HydrophobicContact CD1-CG2 3.84Å; F428-T442 WeakPolarHBondContact CD1-OG1 3.24Å; F428-T442 HydrophobicContact CE1-CG2 3.65Å; F428-T442 WeakPolarHBondContact CE1-OG1 3.46Å; F428-T442 HydrophobicContact CG-CG2 4.39Å; F428-T442 HydrophobicContact CZ-CG2 4.04Å; F428-V465 CarbonylContact O-C 3.55Å; F428-V465 VanDerWaalsContact O-CA 3.3Å; F428-V465 WeakPolarHBondContact O-CA 3.24Å; F428-R466 HydrophobicContact CB-CB 4.45Å; F428-R466 PolarHBondContact N-O 3.28Å; F428-R466 PolarHBondContact O-N 2.99Å; F428-Q468 HydrophobicContact CE2-CB 3.96Å; F428-I478 HydrophobicContact CD2-CD1 3.46Å; F428-I478 VanDerWaalsContact CD2-CD1 3.46Å; F428-I478 HydrophobicContact CD2-CG1 4.43Å; F428-I478 HydrophobicContact CE2-CD1 3.73Å; F428-I478 HydrophobicContact CG-CD1 4.08Å |
| 429 | Y | 92.6 | Very high | 86.9 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147.9 | -178.3 | 63.1 | -77.3 | 0 | 0 | 0 | 114.4 | L441 I454 L457 T464 | Y429-L441 HydrophobicContact CD1-CB 4.01Å; Y429-L441 WeakPolarHBondContact CD1-O 3.37Å; Y429-L441 HydrophobicContact CD2-CB 4.13Å; Y429-L441 HydrophobicContact CD2-CD1 4.29Å; Y429-L441 HydrophobicContact CE1-CB 3.56Å; Y429-L441 WeakPolarHBondContact CE1-O 3.46Å; Y429-L441 HydrophobicContact CE2-CB 3.72Å; Y429-L441 HydrophobicContact CE2-CD1 3.57Å; Y429-L441 HydrophobicContact CE2-CG 4.29Å; Y429-L441 HydrophobicContact CG-CB 4.26Å; Y429-L441 PolarHBondContact N-O 2.97Å; Y429-L441 PolarHBondContact O-N 3.32Å; Y429-I454 HydrophobicContact CD1-CD1 3.8Å; Y429-I454 HydrophobicContact CD1-CG1 4.5Å; Y429-I454 HydrophobicContact CD1-CG2 4.28Å; Y429-I454 HydrophobicContact CD2-CD1 4.44Å; Y429-I454 HydrophobicContact CD2-CG2 3.77Å; Y429-I454 HydrophobicContact CE1-CD1 4.43Å; Y429-I454 HydrophobicContact CE1-CG2 4.09Å; Y429-I454 HydrophobicContact CE2-CG2 3.52Å; Y429-I454 HydrophobicContact CG-CD1 3.82Å; Y429-I454 HydrophobicContact CG-CG2 4.15Å; Y429-L457 HydrophobicContact CD2-CD2 4.24Å; Y429-L457 HydrophobicContact CE2-CD2 4.18Å; Y429-T464 VanDerWaalsContact CA-O 3.3Å; Y429-T464 WeakPolarHBondContact CA-O 3.47Å |
| 430 | T | 92.2 | Very high | 87.2 | Confident | 12 Ų | 12 | 55 Ų | 55 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.7 | 174.8 | -172.5 | 0 | 0 | 0 | 0 | 112 | R432 P433 W440 Y463 T464 | T430-R432 PolarHBondContact OG1-N 3.45Å; T430-P433 HydrophobicContact CG2-CB 4.48Å; T430-W440 HydrophobicContact CG2-CD2 3.46Å; T430-W440 VanDerWaalsContact CG2-CD2 3.46Å; T430-W440 HydrophobicContact CG2-CE3 3.82Å; T430-W440 HydrophobicContact CG2-CG 3.95Å; T430-W440 HydrophobicContact CG2-CH2 3.99Å; T430-W440 HydrophobicContact CG2-CZ2 3.66Å; T430-W440 HydrophobicContact CG2-CZ3 4.06Å; T430-Y463 CarbonylContact O-C 3.16Å; T430-Y463 WeakPolarHBondContact O-CA 3.46Å; T430-T464 PolarHBondContact N-O 3.31Å; T430-T464 PolarHBondContact O-N 2.98Å |
| 431 | S | 89 | Confident | 87.4 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -90.8 | -3.7 | 162.4 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | I461 | S431-I461 VanDerWaalsContact CB-CG2 3.5Š|
| 432 | R | 86.9 | Confident | 87.6 | Confident | 151 Ų | 151 | 58.2 Ų | 58.2 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | trans | -126.3 | 76.2 | -176.5 | -62.3 | 178.2 | -180 | 176.4 | 2 | 109.9 | T430 A434 E435 | T430-R432 PolarHBondContact OG1-N 3.45Å; R432-A434 PolarHBondContact O-N 3.39Å; R432-E435 HydrophobicContact CB-CB 4.31Å; R432-E435 HydrophobicContact CB-CG 3.87Å; R432-E435 WeakPolarHBondContact CD-OE1 3.41Å; R432-E435 WeakPolarHBondContact CD-OE2 3.45Å; R432-E435 IonicContact CZ-OE1 3.63Å; R432-E435 IonicContact NE-OE1 3.76Å; R432-E435 IonicContact NH1-OE1 2.72Å; R432-E435 PolarHBondContact NH1-OE1 2.91Å; R432-E435 WeakPolarHBondContact O-CB 3.49Å; R432-E435 PolarHBondContact O-N 3.23Å | ||
| 433 | P | 80.8 | Confident | 87.7 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 49% | 0.494 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.4 | -176.7 | 25.3 | -34.6 | 0 | 0 | 0 | 114.8 | T430 W440 T464 | T430-P433 HydrophobicContact CG2-CB 4.48Å; P433-W440 HydrophobicContact CB-CZ2 4.29Å; P433-T464 HydrophobicContact CB-CG2 4.27Å |
| 434 | A | 79.4 | Confident | 87.7 | Confident | 104 Ų | 104 | 61.1 Ų | 61.1 | 86% | 0.86 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R432 | R432-A434 PolarHBondContact O-N 3.39Š|
| 435 | E | 82.1 | Confident | 87.7 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 23% | 0.229 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -74.1 | 144.3 | 171 | -76 | 179.8 | 167.1 | 0 | 0 | 110.7 | R432 F437 M439 W440 | R432-E435 HydrophobicContact CB-CB 4.31Å; R432-E435 HydrophobicContact CB-CG 3.87Å; R432-E435 WeakPolarHBondContact CD-OE1 3.41Å; R432-E435 WeakPolarHBondContact CD-OE2 3.45Å; R432-E435 IonicContact CZ-OE1 3.63Å; R432-E435 IonicContact NE-OE1 3.76Å; R432-E435 IonicContact NH1-OE1 2.72Å; R432-E435 PolarHBondContact NH1-OE1 2.91Å; R432-E435 WeakPolarHBondContact O-CB 3.49Å; R432-E435 PolarHBondContact O-N 3.23Å; E435-F437 PolarHBondContact O-N 2.8Å; E435-M439 HydrophobicContact CB-CB 4.44Å; E435-M439 HydrophobicContact CB-SD 4.35Å; E435-M439 HydrophobicContact CG-CE 4.36Å; E435-W440 PolarHBondContact O-NE1 3.39Å; E435-W440 VanDerWaalsContact O-NE1 3.15Å |
| 436 | P | 81 | Confident | 87.1 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 49% | 0.494 | 37% | 0.365 | S | S | . | . | trans | -45.6 | 139.3 | 175.5 | -32.3 | 37.3 | 0 | 0 | 0 | 113.1 | N438 M439 | P436-N438 WeakPolarHBondContact CB-OD1 3.49Å; P436-N438 PolarHBondContact O-N 2.68Å; P436-N438 VanDerWaalsContact O-N 3.08Å; P436-M439 HydrophobicContact CB-CG 4.5Å; P436-M439 HydrophobicContact CG-SD 4.36Å; P436-M439 WeakPolarHBondContact O-CB 3.23Å; P436-M439 PolarHBondContact O-N 3.5Å | ||
| 437 | F | 80.1 | Confident | 86.5 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -59.5 | -28.4 | -170.4 | 176.9 | -109.7 | 0 | 0 | 0 | 114 | F428 E435 M439 W440 I478 | F428-F437 HydrophobicContact CB-CE2 3.83Å; F428-F437 HydrophobicContact CB-CZ 4.05Å; F428-F437 HydrophobicContact CD1-CE1 4.22Å; F428-F437 AromaticContact CD1-CE2 3.91Å; F428-F437 HydrophobicContact CD1-CE2 3.91Å; F428-F437 AromaticContact CD1-CZ 3.35Å; F428-F437 HydrophobicContact CD1-CZ 3.35Å; F428-F437 HydrophobicContact CD2-CE2 4.46Å; F428-F437 AromaticContact CD2-CZ 3.89Å; F428-F437 HydrophobicContact CD2-CZ 3.89Å; F428-F437 HydrophobicContact CE1-CE1 4.09Å; F428-F437 AromaticContact CE1-CZ 3.6Å; F428-F437 HydrophobicContact CE1-CZ 3.6Å; F428-F437 HydrophobicContact CE2-CZ 4.12Å; F428-F437 AromaticContact CG-CE2 3.84Å; F428-F437 HydrophobicContact CG-CE2 3.84Å; F428-F437 AromaticContact CG-CZ 3.5Å; F428-F437 HydrophobicContact CG-CZ 3.5Å; F428-F437 HydrophobicContact CZ-CE1 4.43Å; F428-F437 AromaticContact CZ-CZ 3.98Å; F428-F437 HydrophobicContact CZ-CZ 3.98Å; E435-F437 PolarHBondContact O-N 2.8Å; F437-M439 PolarHBondContact O-N 3.21Å; F437-W440 HydrophobicContact CD2-CB 4.47Å; F437-W440 AromaticContact CD2-CD2 3.82Å; F437-W440 HydrophobicContact CD2-CD2 3.82Å; F437-W440 HydrophobicContact CD2-CE3 4.2Å; F437-W440 AromaticContact CD2-CG 3.97Å; F437-W440 HydrophobicContact CD2-CG 3.97Å; F437-W440 HydrophobicContact CE2-CB 4.47Å; F437-W440 HydrophobicContact CE2-CD2 4.13Å; F437-W440 HydrophobicContact CE2-CE3 4.12Å; F437-W440 HydrophobicContact CE2-CG 4.33Å; F437-W440 WeakPolarHBondContact O-CB 3.32Å; F437-W440 PolarHBondContact O-N 3.09Å; F437-W440 VanDerWaalsContact O-N 3.17Å; F437-I478 HydrophobicContact CE1-CD1 3.96Å; F437-I478 HydrophobicContact CE2-CD1 3.53Å; F437-I478 HydrophobicContact CZ-CD1 3.11Å |
| 438 | N | 80.1 | Confident | 85.6 | Confident | 143 Ų | 143 | 74.6 Ų | 74.6 | 77% | 0.765 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -71.2 | -5.4 | 173.9 | 65.5 | -40.7 | 0 | 0 | 0 | 114.8 | P436 | P436-N438 WeakPolarHBondContact CB-OD1 3.49Å; P436-N438 PolarHBondContact O-N 2.68Å; P436-N438 VanDerWaalsContact O-N 3.08Å |
| 439 | M | 85.1 | Confident | 84.9 | Confident | 104 Ų | 104 | 78.8 Ų | 78.8 | 51% | 0.512 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -94.2 | -5.7 | 170.9 | -62.7 | -178.7 | 57.8 | 0 | 0 | 113 | E435 P436 F437 | E435-M439 HydrophobicContact CB-CB 4.44Å; E435-M439 HydrophobicContact CB-SD 4.35Å; E435-M439 HydrophobicContact CG-CE 4.36Å; P436-M439 HydrophobicContact CB-CG 4.5Å; P436-M439 HydrophobicContact CG-SD 4.36Å; P436-M439 WeakPolarHBondContact O-CB 3.23Å; P436-M439 PolarHBondContact O-N 3.5Å; F437-M439 PolarHBondContact O-N 3.21Å |
| 440 | W | 90.8 | Very high | 84.6 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 7% | 0.072 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -73.3 | 145.9 | 178.4 | -65.4 | 34.1 | 0 | 0 | 0 | 109.8 | F428 T430 P433 E435 F437 T464 R466 P481 | F428-W440 HydrophobicContact CB-CB 4.49Å; F428-W440 HydrophobicContact CB-CE3 4.28Å; T430-W440 HydrophobicContact CG2-CD2 3.46Å; T430-W440 VanDerWaalsContact CG2-CD2 3.46Å; T430-W440 HydrophobicContact CG2-CE3 3.82Å; T430-W440 HydrophobicContact CG2-CG 3.95Å; T430-W440 HydrophobicContact CG2-CH2 3.99Å; T430-W440 HydrophobicContact CG2-CZ2 3.66Å; T430-W440 HydrophobicContact CG2-CZ3 4.06Å; P433-W440 HydrophobicContact CB-CZ2 4.29Å; E435-W440 PolarHBondContact O-NE1 3.39Å; E435-W440 VanDerWaalsContact O-NE1 3.15Å; F437-W440 HydrophobicContact CD2-CB 4.47Å; F437-W440 AromaticContact CD2-CD2 3.82Å; F437-W440 HydrophobicContact CD2-CD2 3.82Å; F437-W440 HydrophobicContact CD2-CE3 4.2Å; F437-W440 AromaticContact CD2-CG 3.97Å; F437-W440 HydrophobicContact CD2-CG 3.97Å; F437-W440 HydrophobicContact CE2-CB 4.47Å; F437-W440 HydrophobicContact CE2-CD2 4.13Å; F437-W440 HydrophobicContact CE2-CE3 4.12Å; F437-W440 HydrophobicContact CE2-CG 4.33Å; F437-W440 WeakPolarHBondContact O-CB 3.32Å; F437-W440 PolarHBondContact O-N 3.09Å; F437-W440 VanDerWaalsContact O-N 3.17Å; W440-T464 HydrophobicContact CH2-CG2 3.63Å; W440-T464 HydrophobicContact CZ3-CG2 4.02Å; W440-R466 HydrophobicContact CH2-CG 4.35Å; W440-R466 HydrophobicContact CZ3-CG 3.84Å; W440-P481 HydrophobicContact CH2-CB 4.49Å |
| 441 | L | 91.1 | Very high | 84.5 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 136.4 | 178.8 | -64.6 | 171.3 | 0 | 0 | 0 | 109.9 | F428 Y429 | F428-L441 CarbonylContact C-O 3.51Å; F428-L441 VanDerWaalsContact CA-O 3.27Å; F428-L441 WeakPolarHBondContact CA-O 3.34Å; Y429-L441 HydrophobicContact CD1-CB 4.01Å; Y429-L441 WeakPolarHBondContact CD1-O 3.37Å; Y429-L441 HydrophobicContact CD2-CB 4.13Å; Y429-L441 HydrophobicContact CD2-CD1 4.29Å; Y429-L441 HydrophobicContact CE1-CB 3.56Å; Y429-L441 WeakPolarHBondContact CE1-O 3.46Å; Y429-L441 HydrophobicContact CE2-CB 3.72Å; Y429-L441 HydrophobicContact CE2-CD1 3.57Å; Y429-L441 HydrophobicContact CE2-CG 4.29Å; Y429-L441 HydrophobicContact CG-CB 4.26Å; Y429-L441 PolarHBondContact N-O 2.97Å; Y429-L441 PolarHBondContact O-N 3.32Å |
| 442 | T | 90.1 | Very high | 84.6 | Confident | 69 Ų | 69 | 84.6 Ų | 84.6 | 42% | 0.423 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 147.8 | -175.3 | -47.1 | 0 | 0 | 0 | 0 | 112.1 | A426 V427 F428 | A426-T442 HydrophobicContact CB-CG2 4.3Å; V427-T442 CarbonylContact O-C 3.59Å; V427-T442 WeakPolarHBondContact O-CA 3.34Å; F428-T442 HydrophobicContact CD1-CG2 3.84Å; F428-T442 WeakPolarHBondContact CD1-OG1 3.24Å; F428-T442 HydrophobicContact CE1-CG2 3.65Å; F428-T442 WeakPolarHBondContact CE1-OG1 3.46Å; F428-T442 HydrophobicContact CG-CG2 4.39Å; F428-T442 HydrophobicContact CZ-CG2 4.04Å |
| 443 | K | 89.8 | Confident | 84.8 | Confident | 78 Ų | 78 | 80 Ų | 80 | 34% | 0.339 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 114 | 171.6 | -169.2 | -176 | -172.9 | -167.9 | 0 | 110.1 | V427 T452 V453 | V427-K443 HydrophobicContact CB-CB 4.48Å; V427-K443 PolarHBondContact N-O 3.46Å; V427-K443 PolarHBondContact O-N 3.28Å; K443-T452 HydrophobicContact CD-CG2 4.05Å; K443-T452 WeakPolarHBondContact CE-OG1 3.45Å; K443-T452 PolarHBondContact NZ-OG1 3.18Å; K443-V453 PolarHBondContact NZ-O 3.19Å |
| 444 | E | 89.7 | Confident | 85.2 | Confident | 104 Ų | 104 | 76.7 Ų | 76.7 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 149.6 | 176.9 | -68.3 | -61.9 | 138.1 | 0 | 0 | 112.5 | A426 | A426-E444 WeakPolarHBondContact CB-OE1 3.21Å |
| 445 | V | 89.3 | Confident | 85.6 | Confident | 14 Ų | 14 | 76 Ų | 76 | 9% | 0.085 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 109.7 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | W412 G424 Y425 V427 D449 | W412-V445 HydrophobicContact CH2-CG2 3.98Å; W412-V445 HydrophobicContact CZ2-CB 4.32Å; W412-V445 HydrophobicContact CZ2-CG1 4.21Å; W412-V445 HydrophobicContact CZ2-CG2 4.1Å; G424-V445 WeakPolarHBondContact CA-O 3.09Å; Y425-V445 PolarHBondContact N-O 2.64Å; Y425-V445 WeakPolarHBondContact O-CA 3.35Å; Y425-V445 PolarHBondContact O-N 2.79Å; V427-V445 HydrophobicContact CG2-CG2 4.36Å; V445-D449 HydrophobicContact CG1-CB 3.53Å |
| 446 | I | 82.5 | Confident | 85.8 | Confident | 155 Ų | 155 | 77.2 Ų | 77.2 | 80% | 0.795 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 137.3 | -173.6 | -58.9 | 174.1 | 0 | 0 | 0 | 109.7 | ||
| 447 | G | 77.6 | Confident | 86.2 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 79.6 | -158.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L423 G424 D449 | L423-G447 WeakPolarHBondContact O-CA 3.23Å; L423-G447 PolarHBondContact O-N 3.15Å; L423-G447 VanDerWaalsContact O-N 3.09Å; G424-G447 WeakPolarHBondContact CA-O 3.22Å; G447-D449 VanDerWaalsContact C-N 3.32Å; G447-D449 PolarHBondContact O-N 2.84Å |
| 448 | N | 74.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 76 Ų | 76 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -95.1 | 27.5 | -171.4 | -157.9 | 12.2 | 0 | 0 | 0 | 114.1 | Y425 | Y425-N448 PolarHBondContact OH-OD1 2.86Š|
| 449 | D | 79.4 | Confident | 86.5 | Confident | 109 Ų | 109 | 75 Ų | 75 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | trans | -73 | 140.8 | 176.3 | -88.4 | -3.7 | 0 | 0 | 0 | 111.3 | Y425 V445 G447 | Y425-D449 VanDerWaalsContact CD2-O 3.28Å; Y425-D449 WeakPolarHBondContact CD2-O 3.4Å; Y425-D449 WeakPolarHBondContact CE2-O 3.41Å; V445-D449 HydrophobicContact CG1-CB 3.53Å; G447-D449 VanDerWaalsContact C-N 3.32Å; G447-D449 PolarHBondContact O-N 2.84Å | ||
| 450 | R | 86.5 | Confident | 86.3 | Confident | 121 Ų | 121 | 75 Ų | 75 | 46% | 0.457 | 41% | 0.41 | S | S | . | . | trans | -125.1 | 11.4 | -162.7 | -84.7 | 179.2 | -75.2 | 164.5 | -2.8 | 115 | Q411 W412 | Q411-R450 WeakPolarHBondContact CA-O 3.33Å; Q411-R450 WeakPolarHBondContact CG-O 3.5Å; W412-R450 PolarHBondContact N-O 2.86Å; W412-R450 WeakPolarHBondContact O-CB 3.34Å | ||
| 451 | L | 89.3 | Confident | 86.1 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 146.2 | -177.8 | 175.8 | 148.9 | 0 | 0 | 0 | 110.7 | M409 V410 Q411 | M409-L451 HydrophobicContact SD-CD1 4.48Å; V410-L451 CarbonylContact O-C 3.59Å; V410-L451 WeakPolarHBondContact O-CA 3.14Å; Q411-L451 HydrophobicContact CB-CB 4.39Å; Q411-L451 HydrophobicContact CB-CD1 4.29Å; Q411-L451 HydrophobicContact CB-CG 4.42Å; Q411-L451 HydrophobicContact CG-CB 4.33Å; Q411-L451 HydrophobicContact CG-CD1 4.34Å |
| 452 | T | 91.6 | Very high | 85.7 | Confident | 18 Ų | 18 | 75 Ų | 75 | 11% | 0.11 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 163.3 | 168.1 | -146.9 | 0 | 0 | 0 | 0 | 112.6 | V410 W412 V427 K443 | V410-T452 HydrophobicContact CB-CG2 4.49Å; V410-T452 PolarHBondContact N-O 2.68Å; V410-T452 PolarHBondContact O-N 3.06Å; W412-T452 HydrophobicContact CH2-CG2 4.2Å; W412-T452 HydrophobicContact CZ3-CG2 4.19Å; V427-T452 HydrophobicContact CB-CG2 4.49Å; V427-T452 HydrophobicContact CG1-CG2 4.4Å; V427-T452 HydrophobicContact CG2-CG2 4.08Å; K443-T452 HydrophobicContact CD-CG2 4.05Å; K443-T452 WeakPolarHBondContact CE-OG1 3.45Å; K443-T452 PolarHBondContact NZ-OG1 3.18Å |
| 453 | V | 89.8 | Confident | 85.7 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.7 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | M409 K443 | M409-V453 HydrophobicContact CB-CG2 4.38Å; M409-V453 HydrophobicContact CE-CG2 4.01Å; M409-V453 HydrophobicContact CG-CG2 4.4Å; K443-V453 PolarHBondContact NZ-O 3.19Å |
| 454 | I | 90.9 | Very high | 85.6 | Confident | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.4 | 174.5 | -52.6 | 174.7 | 0 | 0 | 0 | 107.6 | S407 V408 V410 V427 Y429 L457 V465 | S407-I454 CarbonylContact C-O 3.49Å; S407-I454 VanDerWaalsContact CA-O 3.31Å; S407-I454 WeakPolarHBondContact CA-O 3.23Å; S407-I454 WeakPolarHBondContact CB-O 3.48Å; V408-I454 PolarHBondContact N-O 3.37Å; V408-I454 PolarHBondContact O-N 2.85Å; V408-I454 VanDerWaalsContact O-O 3.13Å; V410-I454 HydrophobicContact CG2-CD1 3.68Å; V410-I454 HydrophobicContact CG2-CG1 4.14Å; V427-I454 HydrophobicContact CG1-CD1 4.32Å; Y429-I454 HydrophobicContact CD1-CD1 3.8Å; Y429-I454 HydrophobicContact CD1-CG1 4.5Å; Y429-I454 HydrophobicContact CD1-CG2 4.28Å; Y429-I454 HydrophobicContact CD2-CD1 4.44Å; Y429-I454 HydrophobicContact CD2-CG2 3.77Å; Y429-I454 HydrophobicContact CE1-CD1 4.43Å; Y429-I454 HydrophobicContact CE1-CG2 4.09Å; Y429-I454 HydrophobicContact CE2-CG2 3.52Å; Y429-I454 HydrophobicContact CG-CD1 3.82Å; Y429-I454 HydrophobicContact CG-CG2 4.15Å; I454-L457 HydrophobicContact CG2-CD1 4.31Å; I454-L457 HydrophobicContact CG2-CD2 3.87Å; I454-L457 HydrophobicContact CG2-CG 4.32Å; I454-V465 HydrophobicContact CD1-CG1 4.47Å; I454-V465 HydrophobicContact CD1-CG2 4.43Å |
| 455 | S | 87.4 | Confident | 85.6 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 157 | -175.9 | 42.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 456 | G | 86 | Confident | 85.7 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 75% | 0.753 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 90 | 24.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T406 | T406-G456 PolarHBondContact O-N 3.32Š|
| 457 | L | 89.7 | Confident | 86.2 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 156.9 | -179.4 | -54.6 | -178.3 | 0 | 0 | 0 | 111.9 | T406 V408 Y429 I454 Y463 T486 | T406-L457 VanDerWaalsContact CA-O 3.26Å; T406-L457 WeakPolarHBondContact CA-O 3.44Å; T406-L457 VanDerWaalsContact CB-O 3.25Å; T406-L457 WeakPolarHBondContact CB-O 3.42Å; T406-L457 WeakPolarHBondContact CG2-O 3.45Å; T406-L457 PolarHBondContact O-N 3.33Å; V408-L457 HydrophobicContact CB-CD1 3.67Å; V408-L457 HydrophobicContact CG2-CD1 3.53Å; Y429-L457 HydrophobicContact CD2-CD2 4.24Å; Y429-L457 HydrophobicContact CE2-CD2 4.18Å; I454-L457 HydrophobicContact CG2-CD1 4.31Å; I454-L457 HydrophobicContact CG2-CD2 3.87Å; I454-L457 HydrophobicContact CG2-CG 4.32Å; L457-Y463 HydrophobicContact CB-CD2 4.35Å; L457-Y463 HydrophobicContact CB-CE2 3.8Å; L457-Y463 HydrophobicContact CD1-CD2 4.37Å; L457-Y463 HydrophobicContact CD1-CG 4.38Å; L457-Y463 HydrophobicContact CD2-CD1 3.97Å; L457-Y463 HydrophobicContact CD2-CE1 3.66Å; L457-Y463 HydrophobicContact CD2-CE2 4.38Å; L457-Y463 HydrophobicContact CD2-CG 4.46Å; L457-Y463 HydrophobicContact CG-CE2 4.48Å; L457-T486 HydrophobicContact CB-CG2 4.28Å; L457-T486 HydrophobicContact CD1-CG2 4.4Å |
| 458 | Q | 82.8 | Confident | 86.9 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 147.4 | 175.3 | -65.7 | 177.6 | -39.5 | 0 | 0 | 111.2 | I461 Y463 T486 | Q458-I461 HydrophobicContact CB-CB 4.46Å; Q458-I461 HydrophobicContact CB-CG1 3.96Å; Q458-Y463 HydrophobicContact CB-CE2 4.44Å; Q458-Y463 PolarHBondContact N-OH 3.18Å; Q458-T486 WeakPolarHBondContact O-CB 3.28Å; Q458-T486 PolarHBondContact O-OG1 2.65Å |
| 459 | Q | 83.6 | Confident | 87.7 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 146.8 | -178.5 | -49.2 | -171.8 | 1.6 | 0 | 0 | 111.9 | P405 T406 I461 | P405-Q459 HydrophobicContact CB-CB 4.2Å; P405-Q459 HydrophobicContact CB-CG 3.69Å; P405-Q459 WeakPolarHBondContact O-CA 3.4Å; P405-Q459 WeakPolarHBondContact O-CG 3.22Å; T406-Q459 HydrophobicContact CG2-CG 3.88Å; Q459-I461 VanDerWaalsContact C-N 3.26Å; Q459-I461 PolarHBondContact O-N 2.97Å |
| 460 | N | 80.1 | Confident | 88.3 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.9 | 179.5 | -59.6 | -19.2 | 0 | 0 | 0 | 115 | T486 | N460-T486 PolarHBondContact N-O 2.72Å; N460-T486 PolarHBondContact N-OG1 2.99Å |
| 461 | I | 86 | Confident | 88.4 | Confident | 60 Ų | 60 | 49.6 Ų | 49.6 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | trans | -116.9 | 141.2 | 177.1 | -67.3 | -63.1 | 0 | 0 | 0 | 109.5 | S431 Q458 Q459 Y463 T486 | S431-I461 VanDerWaalsContact CB-CG2 3.5Å; Q458-I461 HydrophobicContact CB-CB 4.46Å; Q458-I461 HydrophobicContact CB-CG1 3.96Å; Q459-I461 VanDerWaalsContact C-N 3.26Å; Q459-I461 PolarHBondContact O-N 2.97Å; I461-Y463 HydrophobicContact CB-CD2 4.29Å; I461-Y463 HydrophobicContact CB-CE2 3.88Å; I461-Y463 HydrophobicContact CG2-CD2 3.94Å; I461-Y463 HydrophobicContact CG2-CE2 3.65Å; I461-Y463 PolarHBondContact O-N 3.28Å; I461-T486 PolarHBondContact N-OG1 3.25Å; I461-T486 PolarHBondContact O-N 2.98Å; I461-T486 PolarHBondContact O-OG1 3.48Å; I461-T486 VanDerWaalsContact O-OG1 3.08Å | ||
| 462 | V | 84 | Confident | 88.3 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 38% | 0.376 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 111.5 | 171.3 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | V484 L485 | V462-V484 WeakPolarHBondContact CA-O 3.41Å; V462-L485 HydrophobicContact CG2-CB 4.42Å; V462-L485 HydrophobicContact CG2-CD1 3.88Å |
| 463 | Y | 88.7 | Confident | 88.1 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139.8 | 168.9 | -78.2 | -92 | 0 | 0 | 0 | 110.4 | T430 L457 Q458 I461 S483 V484 T486 | T430-Y463 CarbonylContact O-C 3.16Å; T430-Y463 WeakPolarHBondContact O-CA 3.46Å; L457-Y463 HydrophobicContact CB-CD2 4.35Å; L457-Y463 HydrophobicContact CB-CE2 3.8Å; L457-Y463 HydrophobicContact CD1-CD2 4.37Å; L457-Y463 HydrophobicContact CD1-CG 4.38Å; L457-Y463 HydrophobicContact CD2-CD1 3.97Å; L457-Y463 HydrophobicContact CD2-CE1 3.66Å; L457-Y463 HydrophobicContact CD2-CE2 4.38Å; L457-Y463 HydrophobicContact CD2-CG 4.46Å; L457-Y463 HydrophobicContact CG-CE2 4.48Å; Q458-Y463 HydrophobicContact CB-CE2 4.44Å; Q458-Y463 PolarHBondContact N-OH 3.18Å; I461-Y463 HydrophobicContact CB-CD2 4.29Å; I461-Y463 HydrophobicContact CB-CE2 3.88Å; I461-Y463 HydrophobicContact CG2-CD2 3.94Å; I461-Y463 HydrophobicContact CG2-CE2 3.65Å; I461-Y463 PolarHBondContact O-N 3.28Å; Y463-S483 CarbonylContact O-C 3.45Å; Y463-S483 WeakPolarHBondContact O-CA 3.45Å; Y463-V484 PolarHBondContact N-O 3.29Å; Y463-V484 PolarHBondContact O-N 2.79Å; Y463-T486 HydrophobicContact CD2-CG2 3.72Å; Y463-T486 HydrophobicContact CE2-CG2 4.07Å |
| 464 | T | 88.2 | Confident | 87.9 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.2 | 177.4 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | Y429 T430 P433 W440 P481 V482 | Y429-T464 VanDerWaalsContact CA-O 3.3Å; Y429-T464 WeakPolarHBondContact CA-O 3.47Å; T430-T464 PolarHBondContact N-O 3.31Å; T430-T464 PolarHBondContact O-N 2.98Å; P433-T464 HydrophobicContact CB-CG2 4.27Å; W440-T464 HydrophobicContact CH2-CG2 3.63Å; W440-T464 HydrophobicContact CZ3-CG2 4.02Å; T464-P481 HydrophobicContact CG2-CB 3.29Å; T464-P481 HydrophobicContact CG2-CG 4.48Å; T464-V482 WeakPolarHBondContact CA-O 3.46Å |
| 465 | V | 89.8 | Confident | 87.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.3 | -172.4 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | V410 V427 F428 I454 P481 V482 | V410-V465 HydrophobicContact CG1-CG1 3.76Å; V410-V465 HydrophobicContact CG2-CG1 3.88Å; V410-V465 HydrophobicContact CG2-CG2 4.49Å; V427-V465 HydrophobicContact CG1-CG1 4.03Å; F428-V465 CarbonylContact O-C 3.55Å; F428-V465 VanDerWaalsContact O-CA 3.3Å; F428-V465 WeakPolarHBondContact O-CA 3.24Å; I454-V465 HydrophobicContact CD1-CG1 4.47Å; I454-V465 HydrophobicContact CD1-CG2 4.43Å; V465-P481 CarbonylContact O-C 3.48Å; V465-P481 VanDerWaalsContact O-CA 3.29Å; V465-P481 WeakPolarHBondContact O-CA 3.48Å; V465-V482 PolarHBondContact N-O 3.45Å; V465-V482 PolarHBondContact O-N 2.82Å |
| 466 | R | 91.6 | Very high | 87.9 | Confident | 65 Ų | 65 | 51 Ų | 51 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.2 | 174.6 | -66.3 | 179.5 | 177.6 | -136.8 | -1.8 | 111.4 | V427 F428 W440 I478 S479 P481 | V427-R466 CarbonylContact C-O 3.53Å; V427-R466 WeakPolarHBondContact CA-O 3.23Å; F428-R466 HydrophobicContact CB-CB 4.45Å; F428-R466 PolarHBondContact N-O 3.28Å; F428-R466 PolarHBondContact O-N 2.99Å; W440-R466 HydrophobicContact CH2-CG 4.35Å; W440-R466 HydrophobicContact CZ3-CG 3.84Å; R466-I478 HydrophobicContact CB-CD1 3.63Å; R466-I478 HydrophobicContact CB-CG1 3.77Å; R466-I478 HydrophobicContact CG-CD1 4.34Å; R466-I478 HydrophobicContact CG-CG1 4.48Å; R466-S479 WeakPolarHBondContact CA-OG 3.43Å; R466-S479 WeakPolarHBondContact CG-O 3.44Å; R466-P481 HydrophobicContact CG-CB 3.89Å; R466-P481 HydrophobicContact CG-CG 4.47Å |
| 467 | V | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 139.5 | 178.4 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | P395 V398 V410 W412 Y425 A426 V427 S479 | P395-V467 HydrophobicContact CB-CB 4.39Å; P395-V467 HydrophobicContact CB-CG1 4.31Å; P395-V467 WeakPolarHBondContact CD-O 3.49Å; P395-V467 HydrophobicContact CG-CB 4.24Å; P395-V467 HydrophobicContact CG-CG1 4.03Å; P395-V467 WeakPolarHBondContact CG-O 3.38Å; V398-V467 HydrophobicContact CG1-CG2 3.71Å; V398-V467 HydrophobicContact CG2-CB 4.27Å; V398-V467 HydrophobicContact CG2-CG2 4.23Å; V410-V467 HydrophobicContact CG1-CG2 4.3Å; W412-V467 HydrophobicContact CD2-CG1 3.84Å; W412-V467 HydrophobicContact CD2-CG2 4.24Å; W412-V467 HydrophobicContact CE3-CG1 4.25Å; W412-V467 HydrophobicContact CE3-CG2 3.94Å; W412-V467 HydrophobicContact CG-CG1 4.03Å; W412-V467 HydrophobicContact CZ2-CG1 4.5Å; Y425-V467 HydrophobicContact CD1-CG1 4.5Å; A426-V467 CarbonylContact O-C 3.54Å; A426-V467 VanDerWaalsContact O-CA 3.29Å; A426-V467 WeakPolarHBondContact O-CA 3.23Å; V427-V467 HydrophobicContact CG1-CG2 4.3Å; V427-V467 HydrophobicContact CG2-CG1 4.15Å; V427-V467 HydrophobicContact CG2-CG2 4.16Å; V467-S479 PolarHBondContact N-OG 2.66Å; V467-S479 VanDerWaalsContact O-CB 3.24Å; V467-S479 WeakPolarHBondContact O-CB 3.45Å; V467-S479 PolarHBondContact O-N 3.22Å |
| 468 | Q | 92.5 | Very high | 88 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.3 | 178.4 | -167 | 173 | 17.6 | 0 | 0 | 110.6 | Y425 A426 F428 Y475 G476 I478 | Y425-Q468 CarbonylContact C-O 3.59Å; Y425-Q468 WeakPolarHBondContact CA-O 3.15Å; Y425-Q468 WeakPolarHBondContact CB-O 3.07Å; A426-Q468 PolarHBondContact N-O 3.25Å; A426-Q468 PolarHBondContact O-N 2.95Å; F428-Q468 HydrophobicContact CE2-CB 3.96Å; Q468-Y475 HydrophobicContact CG-CD1 4.39Å; Q468-G476 VanDerWaalsContact CG-O 3.31Å; Q468-G476 WeakPolarHBondContact CG-O 3.23Å; Q468-G476 PolarHBondContact NE2-O 3.38Å; Q468-I478 HydrophobicContact CB-CB 4.24Å; Q468-I478 HydrophobicContact CB-CG1 4.2Å; Q468-I478 HydrophobicContact CG-CB 4.3Å |
| 469 | A | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 160.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P395 P415 Y425 Y475 G476 | P395-A469 HydrophobicContact CG-CB 4.12Å; P415-A469 HydrophobicContact CG-CB 3.71Å; Y425-A469 HydrophobicContact CD1-CB 3.78Å; Y425-A469 HydrophobicContact CE1-CB 3.83Å; A469-Y475 CarbonylContact O-C 3.55Å; A469-Y475 WeakPolarHBondContact O-CA 3.25Å; A469-G476 PolarHBondContact O-N 2.8Å |
| 470 | R | 91.2 | Very high | 88.2 | Confident | 110 Ų | 110 | 44.7 Ų | 44.7 | 42% | 0.415 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.1 | -178.4 | -178.7 | 178.8 | 170.5 | -177.9 | -4.4 | 112.6 | I422 L423 G424 G474 Y475 | I422-R470 CarbonylContact C-O 3.57Å; I422-R470 VanDerWaalsContact CA-O 3.3Å; I422-R470 WeakPolarHBondContact CA-O 3.41Å; L423-R470 PolarHBondContact N-O 3.11Å; G424-R470 PolarHBondContact O-N 3.48Å; R470-G474 CarbonylContact C-O 3.58Å; R470-G474 WeakPolarHBondContact CA-O 3.36Å; R470-Y475 HydrophobicContact CB-CD1 3.66Å; R470-Y475 HydrophobicContact CB-CE1 3.75Å; R470-Y475 HydrophobicContact CB-CG 4.38Å; R470-Y475 HydrophobicContact CG-CD1 4.12Å; R470-Y475 HydrophobicContact CG-CE1 4.07Å; R470-Y475 HydrophobicContact CG-CG 4.48Å |
| 471 | N | 89.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -121.2 | -165.2 | 165.1 | 74.9 | 7.2 | 0 | 0 | 0 | 112 | E389 P391 A418 V421 I422 V473 G474 | E389-N471 PolarHBondContact O-ND2 3.02Å; P391-N471 VanDerWaalsContact CD-CG 3.49Å; P391-N471 WeakPolarHBondContact CD-ND2 3.37Å; P391-N471 HydrophobicContact CG-CB 3.92Å; A418-N471 PolarHBondContact O-ND2 2.94Å; V421-N471 VanDerWaalsContact O-CA 3.23Å; V421-N471 WeakPolarHBondContact O-CA 3.39Å; V421-N471 WeakPolarHBondContact O-CB 3.47Å; I422-N471 HydrophobicContact CD1-CB 4.38Å; N471-V473 VanDerWaalsContact C-N 3.32Å; N471-V473 PolarHBondContact O-N 2.85Å; N471-V473 WeakPolarHBondContact OD1-CB 3.28Å; N471-V473 PolarHBondContact OD1-N 3.39Å; N471-G474 PolarHBondContact N-O 3.4Å; N471-G474 PolarHBondContact OD1-N 3.08Å; N471-G474 VanDerWaalsContact OD1-N 3.1Å; N471-G474 PolarHBondContact OD1-O 2.73Å | ||
| 472 | A | 86.2 | Confident | 88.1 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 61% | 0.612 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -65 | -30.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 473 | V | 86.8 | Confident | 88 | Confident | 81 Ų | 81 | 37.7 Ų | 37.7 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -81.2 | -37.9 | 179.4 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | E388 V390 N471 | E388-V473 HydrophobicContact CB-CG2 3.85Å; V390-V473 HydrophobicContact CG1-CB 4Å; V390-V473 HydrophobicContact CG1-CG1 3.74Å; N471-V473 VanDerWaalsContact C-N 3.32Å; N471-V473 PolarHBondContact O-N 2.85Å; N471-V473 WeakPolarHBondContact OD1-CB 3.28Å; N471-V473 PolarHBondContact OD1-N 3.39Å |
| 474 | G | 86.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | trans | 166.9 | -163.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | R470 N471 | R470-G474 CarbonylContact C-O 3.58Å; R470-G474 WeakPolarHBondContact CA-O 3.36Å; N471-G474 PolarHBondContact N-O 3.4Å; N471-G474 PolarHBondContact OD1-N 3.08Å; N471-G474 VanDerWaalsContact OD1-N 3.1Å; N471-G474 PolarHBondContact OD1-O 2.73Å | ||
| 475 | Y | 90.1 | Very high | 87.2 | Confident | 99 Ų | 99 | 39.7 Ų | 39.7 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 137.2 | 172.9 | -66.5 | -83.9 | 0 | 0 | 0 | 111 | Q468 A469 R470 | Q468-Y475 HydrophobicContact CG-CD1 4.39Å; A469-Y475 CarbonylContact O-C 3.55Å; A469-Y475 WeakPolarHBondContact O-CA 3.25Å; R470-Y475 HydrophobicContact CB-CD1 3.66Å; R470-Y475 HydrophobicContact CB-CE1 3.75Å; R470-Y475 HydrophobicContact CB-CG 4.38Å; R470-Y475 HydrophobicContact CG-CD1 4.12Å; R470-Y475 HydrophobicContact CG-CE1 4.07Å; R470-Y475 HydrophobicContact CG-CG 4.48Å |
| 476 | G | 87.1 | Confident | 86.9 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -171.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P391 Q468 A469 | P391-G476 WeakPolarHBondContact O-CA 3.33Å; Q468-G476 VanDerWaalsContact CG-O 3.31Å; Q468-G476 WeakPolarHBondContact CG-O 3.23Å; Q468-G476 PolarHBondContact NE2-O 3.38Å; A469-G476 PolarHBondContact O-N 2.8Å |
| 477 | P | 87.6 | Confident | 86.2 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 150 | 176 | 30.3 | -34.9 | 0 | 0 | 0 | 111.3 | P391 Q392 | P391-P477 WeakPolarHBondContact O-CD 3.29Å; Q392-P477 WeakPolarHBondContact O-CG 3.47Å |
| 478 | I | 90.2 | Very high | 85.1 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 147.4 | 175.9 | -172.4 | 166.1 | 0 | 0 | 0 | 111.2 | F428 F437 R466 Q468 | F428-I478 HydrophobicContact CD2-CD1 3.46Å; F428-I478 VanDerWaalsContact CD2-CD1 3.46Å; F428-I478 HydrophobicContact CD2-CG1 4.43Å; F428-I478 HydrophobicContact CE2-CD1 3.73Å; F428-I478 HydrophobicContact CG-CD1 4.08Å; F437-I478 HydrophobicContact CE1-CD1 3.96Å; F437-I478 HydrophobicContact CE2-CD1 3.53Å; F437-I478 HydrophobicContact CZ-CD1 3.11Å; R466-I478 HydrophobicContact CB-CD1 3.63Å; R466-I478 HydrophobicContact CB-CG1 3.77Å; R466-I478 HydrophobicContact CG-CD1 4.34Å; R466-I478 HydrophobicContact CG-CG1 4.48Å; Q468-I478 HydrophobicContact CB-CB 4.24Å; Q468-I478 HydrophobicContact CB-CG1 4.2Å; Q468-I478 HydrophobicContact CG-CB 4.3Å |
| 479 | S | 89.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 153.7 | 178 | 88.1 | 0 | 0 | 0 | 0 | 113 | Q394 R466 V467 | Q394-S479 VanDerWaalsContact OE1-CA 3.25Å; R466-S479 WeakPolarHBondContact CA-OG 3.43Å; R466-S479 WeakPolarHBondContact CG-O 3.44Å; V467-S479 PolarHBondContact N-OG 2.66Å; V467-S479 VanDerWaalsContact O-CB 3.24Å; V467-S479 WeakPolarHBondContact O-CB 3.45Å; V467-S479 PolarHBondContact O-N 3.22Å |
| 480 | E | 81 | Confident | 82.9 | Confident | 96 Ų | 96 | 46.6 Ų | 46.6 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -51 | 135.8 | 162.1 | -75.6 | -58.6 | 175.8 | 0 | 0 | 112.4 | R574 | E480-R574 IonicContact OE1-NH1 3.46Å; E480-R574 IonicContact OE2-CZ 2.7Å; E480-R574 IonicContact OE2-NH1 3.9Å; E480-R574 PolarHBondContact OE2-NH1 2.78Å; E480-R574 IonicContact OE2-NH2 2.6Å; E480-R574 PolarHBondContact OE2-NH2 2.82Å |
| 481 | P | 83.7 | Confident | 81.9 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 134.8 | 175.4 | 15.2 | -26.7 | 0 | 0 | 0 | 113.3 | W440 T464 V465 R466 R574 | W440-P481 HydrophobicContact CH2-CB 4.49Å; T464-P481 HydrophobicContact CG2-CB 3.29Å; T464-P481 HydrophobicContact CG2-CG 4.48Å; V465-P481 CarbonylContact O-C 3.48Å; V465-P481 VanDerWaalsContact O-CA 3.29Å; V465-P481 WeakPolarHBondContact O-CA 3.48Å; R466-P481 HydrophobicContact CG-CB 3.89Å; R466-P481 HydrophobicContact CG-CG 4.47Å; P481-R574 VanDerWaalsContact CG-NH2 3.32Å; P481-R574 VanDerWaalsContact N-NH2 3.13Å; P481-R574 PolarHBondContact O-NH2 2.93Å |
| 482 | V | 80 | Confident | 81 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.7 | 172.5 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | V398 S400 T464 V465 | V398-V482 HydrophobicContact CB-CG2 4.23Å; V398-V482 HydrophobicContact CG1-CG2 3.91Å; V398-V482 WeakPolarHBondContact O-CG2 3.25Å; S400-V482 WeakPolarHBondContact OG-CG1 3.33Å; T464-V482 WeakPolarHBondContact CA-O 3.46Å; V465-V482 PolarHBondContact N-O 3.45Å; V465-V482 PolarHBondContact O-N 2.82Å |
| 483 | S | 82 | Confident | 80.6 | Confident | 42 Ų | 42 | 41.4 Ų | 41.4 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.7 | 179.2 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | Y463 | Y463-S483 CarbonylContact O-C 3.45Å; Y463-S483 WeakPolarHBondContact O-CA 3.45Å |
| 484 | V | 80.9 | Confident | 80.4 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 125.8 | 178.2 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | S400 A402 V408 V462 Y463 | S400-V484 WeakPolarHBondContact OG-CG1 3.32Å; A402-V484 HydrophobicContact CB-CG2 4.44Å; V408-V484 HydrophobicContact CG1-CG1 3.93Å; V408-V484 HydrophobicContact CG2-CG1 3.83Å; V408-V484 HydrophobicContact CG2-CG2 4.28Å; V462-V484 WeakPolarHBondContact CA-O 3.41Å; Y463-V484 PolarHBondContact N-O 3.29Å; Y463-V484 PolarHBondContact O-N 2.79Å |
| 485 | L | 80.9 | Confident | 79.9 | Confident | 51 Ų | 51 | 38.3 Ų | 38.3 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132.5 | 171.7 | -178.9 | 64.2 | 0 | 0 | 0 | 109.3 | V462 Q487 I490 | V462-L485 HydrophobicContact CG2-CB 4.42Å; V462-L485 HydrophobicContact CG2-CD1 3.88Å; L485-Q487 HydrophobicContact CD2-CB 3.83Å; L485-Q487 HydrophobicContact CG-CB 3.78Å; L485-Q487 PolarHBondContact O-N 2.95Å; L485-I490 HydrophobicContact CD2-CD1 3.97Å |
| 486 | T | 82.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -77.7 | 46.1 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 113 | V408 L457 Q458 N460 I461 Y463 | V408-T486 HydrophobicContact CG2-CG2 4.26Å; L457-T486 HydrophobicContact CB-CG2 4.28Å; L457-T486 HydrophobicContact CD1-CG2 4.4Å; Q458-T486 WeakPolarHBondContact O-CB 3.28Å; Q458-T486 PolarHBondContact O-OG1 2.65Å; N460-T486 PolarHBondContact N-O 2.72Å; N460-T486 PolarHBondContact N-OG1 2.99Å; I461-T486 PolarHBondContact N-OG1 3.25Å; I461-T486 PolarHBondContact O-N 2.98Å; I461-T486 PolarHBondContact O-OG1 3.48Å; I461-T486 VanDerWaalsContact O-OG1 3.08Å; Y463-T486 HydrophobicContact CD2-CG2 3.72Å; Y463-T486 HydrophobicContact CE2-CG2 4.07Å |
| 487 | Q | 77.1 | Confident | 79.2 | Confident | 80 Ų | 80 | 37 Ų | 37 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -128.8 | 115.5 | 176.3 | -174.7 | -178.8 | -8.3 | 0 | 0 | 109.5 | L485 | L485-Q487 HydrophobicContact CD2-CB 3.83Å; L485-Q487 HydrophobicContact CG-CB 3.78Å; L485-Q487 PolarHBondContact O-N 2.95Å |
| 488 | P | 70.3 | Confident | 79 | Confident | 75 Ų | 75 | 39 Ų | 39 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 134.7 | 175.4 | -23 | 34.5 | 0 | 0 | 0 | 113 | ||
| 489 | G | 66.6 | Low | 78.9 | Confident | 45 Ų | 45 | 37.7 Ų | 37.7 | 46% | 0.464 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96 | 8.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | R567 | G489-R567 WeakPolarHBondContact O-CD 3.42Š|
| 490 | I | 71.4 | Confident | 78.6 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -95.2 | 138.5 | 162.6 | -65.9 | -178.3 | 0 | 0 | 0 | 108.1 | L485 G492 | L485-I490 HydrophobicContact CD2-CD1 3.97Å; I490-G492 PolarHBondContact O-N 2.6Å |
| 491 | P | 70.2 | Confident | 78.8 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 136 | 175.2 | -22.1 | 32.4 | 0 | 0 | 0 | 111.8 | P514 A563 S565 | P491-P514 HydrophobicContact CB-CB 4.49Å; P491-P514 HydrophobicContact CB-CG 4.16Å; P491-A563 HydrophobicContact CB-CB 4.31Å; P491-S565 WeakPolarHBondContact CD-OG 3.37Å |
| 492 | G | 70.9 | Confident | 78.7 | Confident | 39 Ų | 39 | 39 Ų | 39 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 173.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I490 P514 | I490-G492 PolarHBondContact O-N 2.6Å; G492-P514 WeakPolarHBondContact O-CB 3.28Å; G492-P514 WeakPolarHBondContact O-CG 3.29Å |
| 493 | Q | 76.9 | Confident | 78.7 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 142.7 | 167.2 | 69.4 | -169 | 25.4 | 0 | 0 | 110.1 | Q495 | Q493-Q495 PolarHBondContact O-N 3.23Å; Q493-Q495 PolarHBondContact O-NE2 2.91Å |
| 494 | P | 82 | Confident | 78.6 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -53 | 134.5 | 168.5 | -27 | 36.3 | 0 | 0 | 0 | 110.5 | V497 W511 V561 A563 | P494-V497 HydrophobicContact CB-CG2 4.07Å; P494-W511 HydrophobicContact CB-CB 4.26Å; P494-W511 HydrophobicContact CB-CG 4.45Å; P494-V561 HydrophobicContact CB-CB 4.49Å; P494-V561 HydrophobicContact CB-CG1 4.45Å; P494-V561 HydrophobicContact CG-CB 4.29Å; P494-V561 HydrophobicContact CG-CG1 4.09Å; P494-A563 HydrophobicContact CG-CB 4.19Å |
| 495 | Q | 76.2 | Confident | 78.6 | Confident | 31 Ų | 31 | 44 Ų | 44 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 161.1 | -178.2 | -60 | -58 | -59.2 | 0 | 0 | 110.2 | Q493 V497 E512 L515 | Q493-Q495 PolarHBondContact O-N 3.23Å; Q493-Q495 PolarHBondContact O-NE2 2.91Å; Q495-V497 PolarHBondContact O-N 3.03Å; Q495-E512 HydrophobicContact CB-CB 4.08Å; Q495-E512 PolarHBondContact N-O 3.42Å; Q495-E512 PolarHBondContact O-N 3.03Å; Q495-L515 HydrophobicContact CG-CD1 4.13Å; Q495-L515 HydrophobicContact CG-CG 4.1Å |
| 496 | N | 77.7 | Confident | 78.9 | Confident | 59 Ų | 59 | 46.6 Ų | 46.6 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.5 | 34.9 | 168.7 | -71.3 | -19.8 | 0 | 0 | 0 | 115.6 | K498 E512 | N496-K498 WeakPolarHBondContact O-CD 3.49Å; N496-K498 VanDerWaalsContact O-CG 3.31Å; N496-K498 WeakPolarHBondContact O-CG 3.27Å; N496-K498 PolarHBondContact O-N 3.42Å; N496-K498 VanDerWaalsContact O-N 3.08Å; N496-E512 HydrophobicContact CB-CG 4.26Å; N496-E512 WeakPolarHBondContact CB-OE1 3.19Å; N496-E512 PolarHBondContact ND2-OE1 3.39Å; N496-E512 PolarHBondContact ND2-OE2 3.15Å |
| 497 | V | 84.8 | Confident | 79.2 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 12% | 0.121 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 113.2 | 174.2 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | P494 Q495 L509 T510 W511 V561 V576 | P494-V497 HydrophobicContact CB-CG2 4.07Å; Q495-V497 PolarHBondContact O-N 3.03Å; V497-L509 HydrophobicContact CG1-CD1 3.9Å; V497-T510 CarbonylContact C-O 3.47Å; V497-T510 VanDerWaalsContact CA-O 3.31Å; V497-T510 WeakPolarHBondContact CA-O 3.5Å; V497-W511 HydrophobicContact CB-CB 4.5Å; V497-W511 HydrophobicContact CG2-CB 3.89Å; V497-V561 HydrophobicContact CG1-CG2 3.88Å; V497-V561 HydrophobicContact CG2-CB 4.43Å; V497-V561 HydrophobicContact CG2-CG2 4.5Å; V497-V576 HydrophobicContact CB-CG2 4.13Å; V497-V576 HydrophobicContact CG1-CG2 3.92Å; V497-V576 WeakPolarHBondContact O-CG2 3.36Å |
| 498 | K | 84.6 | Confident | 79.7 | Confident | 102 Ų | 102 | 44.6 Ų | 44.6 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.9 | -174.5 | -73.5 | 156.2 | -173.7 | 164.2 | 0 | 108.7 | N496 L509 T510 | N496-K498 WeakPolarHBondContact O-CD 3.49Å; N496-K498 VanDerWaalsContact O-CG 3.31Å; N496-K498 WeakPolarHBondContact O-CG 3.27Å; N496-K498 PolarHBondContact O-N 3.42Å; N496-K498 VanDerWaalsContact O-N 3.08Å; K498-L509 WeakPolarHBondContact O-CA 3.49Å; K498-T510 PolarHBondContact N-O 3.09Å; K498-T510 PolarHBondContact O-N 2.93Å |
| 499 | A | 87.2 | Confident | 80.7 | Confident | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | M507 L508 L509 F559 V576 Q578 | A499-M507 HydrophobicContact CB-CG 3.88Å; A499-M507 HydrophobicContact CB-SD 4.14Å; A499-L508 CarbonylContact C-O 3.57Å; A499-L509 HydrophobicContact CB-CD1 4.09Å; A499-F559 HydrophobicContact CB-CD2 3.52Å; A499-F559 HydrophobicContact CB-CE2 3.82Å; A499-F559 HydrophobicContact CB-CG 4.25Å; A499-V576 HydrophobicContact CB-CG1 4Å; A499-Q578 HydrophobicContact CB-CB 3.58Å; A499-Q578 HydrophobicContact CB-CG 4.25Å; A499-Q578 VanDerWaalsContact O-CG 3.3Å; A499-Q578 WeakPolarHBondContact O-CG 3.28Å |
| 500 | T | 85 | Confident | 81.8 | Confident | 66 Ų | 66 | 40.6 Ų | 40.6 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.5 | -177.6 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | I502 L508 | T500-I502 HydrophobicContact CG2-CG2 4.48Å; T500-I502 PolarHBondContact O-N 2.81Å; T500-L508 PolarHBondContact N-O 3.12Å; T500-L508 PolarHBondContact O-N 3.34Å |
| 501 | A | 83.1 | Confident | 82.6 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 95.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G503 M507 K579 N581 | A501-G503 VanDerWaalsContact C-N 3.28Å; A501-M507 HydrophobicContact CB-SD 4.15Å; A501-M507 PolarHBondContact N-SD 2.98Å; A501-K579 WeakPolarHBondContact CB-O 3.22Å; A501-N581 PolarHBondContact O-ND2 3.19Å |
| 502 | I | 83.5 | Confident | 83.1 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 35% | 0.354 | 23% | 0.225 | S | C | . | . | trans | -83.8 | -3.4 | 175.3 | 60.7 | 163.2 | 0 | 0 | 0 | 113 | T500 R506 L508 I547 | T500-I502 HydrophobicContact CG2-CG2 4.48Å; T500-I502 PolarHBondContact O-N 2.81Å; I502-R506 HydrophobicContact CD1-CB 4.11Å; I502-R506 HydrophobicContact CG1-CB 3.77Å; I502-R506 PolarHBondContact N-O 3.36Å; I502-L508 HydrophobicContact CD1-CB 4.21Å; I502-L508 HydrophobicContact CG1-CB 4.27Å; I502-L508 HydrophobicContact CG2-CB 3.54Å; I502-L508 HydrophobicContact CG2-CD2 4.22Å; I502-I547 HydrophobicContact CD1-CD1 3.9Å; I502-I547 HydrophobicContact CD1-CG1 4.06Å; I502-I547 HydrophobicContact CD1-CG2 3.89Å | ||
| 503 | G | 79.1 | Confident | 83.4 | Confident | 18 Ų | 18 | 43 Ų | 43 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -170.1 | -179.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A501 K505 R506 N581 | A501-G503 VanDerWaalsContact C-N 3.28Å; G503-K505 VanDerWaalsContact C-N 3.3Å; G503-R506 PolarHBondContact N-O 3.07Å; G503-N581 PolarHBondContact O-N 3.1Å |
| 504 | A | 79.2 | Confident | 83.3 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -69.4 | -27.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L552 P553 T580 N581 | A504-L552 CarbonylContact O-C 3.57Å; A504-P553 HydrophobicContact CB-CB 4.14Å; A504-P553 HydrophobicContact CB-CG 4.2Å; A504-P553 WeakPolarHBondContact O-CA 3.44Å; A504-T580 WeakPolarHBondContact O-CB 3.08Å; A504-N581 WeakPolarHBondContact CA-O 3.35Å |
| 505 | K | 81.7 | Confident | 82.3 | Confident | 129 Ų | 129 | 45.9 Ų | 45.9 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -119.7 | 13.9 | 179.1 | -57 | -161.2 | 177.7 | -178.6 | 0 | 114.8 | G503 E549 N550 L551 P553 | G503-K505 VanDerWaalsContact C-N 3.3Å; K505-E549 CarbonylContact O-C 3.51Å; K505-N550 PolarHBondContact O-N 2.74Å; K505-N550 VanDerWaalsContact O-N 3.16Å; K505-L551 VanDerWaalsContact CA-O 3.26Å; K505-L551 WeakPolarHBondContact CA-O 3.44Å; K505-L551 WeakPolarHBondContact CB-O 3.31Å; K505-L551 WeakPolarHBondContact CG-O 3.49Å; K505-L551 PolarHBondContact O-N 2.83Å; K505-P553 HydrophobicContact CG-CG 4.24Å |
| 506 | R | 87 | Confident | 81.5 | Confident | 104 Ų | 104 | 50 Ų | 50 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | trans | -140.2 | 133 | -170.8 | -60 | 175.6 | 82.3 | -150.1 | 11.2 | 111.5 | I502 G503 I548 E549 | I502-R506 HydrophobicContact CD1-CB 4.11Å; I502-R506 HydrophobicContact CG1-CB 3.77Å; I502-R506 PolarHBondContact N-O 3.36Å; G503-R506 PolarHBondContact N-O 3.07Å; R506-I548 WeakPolarHBondContact CA-O 3.36Å; R506-E549 HydrophobicContact CG-CG 4.25Å; R506-E549 IonicContact CZ-OE1 3.13Å; R506-E549 IonicContact NE-OE1 3.71Å; R506-E549 PolarHBondContact NE-OE1 3.12Å; R506-E549 IonicContact NH2-OE1 2.79Å; R506-E549 PolarHBondContact NH2-OE1 3.23Å | ||
| 507 | M | 87.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.7 | 173.1 | -159.9 | 73.3 | 68.6 | 0 | 0 | 109.1 | A499 A501 I547 I548 L551 F559 Q578 T580 | A499-M507 HydrophobicContact CB-CG 3.88Å; A499-M507 HydrophobicContact CB-SD 4.14Å; A501-M507 HydrophobicContact CB-SD 4.15Å; A501-M507 PolarHBondContact N-SD 2.98Å; M507-I547 WeakPolarHBondContact O-CA 3.27Å; M507-I548 PolarHBondContact N-O 3.4Å; M507-I548 PolarHBondContact O-N 2.83Å; M507-L551 HydrophobicContact CB-CD1 3.45Å; M507-L551 VanDerWaalsContact CB-CD1 3.45Å; M507-L551 HydrophobicContact CE-CD1 4.29Å; M507-F559 HydrophobicContact CB-CZ 4.09Å; M507-F559 HydrophobicContact CE-CE2 4Å; M507-F559 HydrophobicContact CE-CZ 4.09Å; M507-F559 HydrophobicContact CG-CE1 4.5Å; M507-F559 HydrophobicContact CG-CE2 3.99Å; M507-F559 HydrophobicContact CG-CZ 3.8Å; M507-Q578 HydrophobicContact CE-CB 3.88Å; M507-Q578 HydrophobicContact CE-CG 3.66Å; M507-Q578 HydrophobicContact SD-CB 3.92Å; M507-Q578 HydrophobicContact SD-CG 3.39Å; M507-Q578 WeakPolarHBondContact SD-CG 3.23Å; M507-T580 HydrophobicContact CE-CG2 3.9Å |
| 508 | L | 89.6 | Confident | 79.5 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.1 | 164.8 | 173.7 | 62.7 | 0 | 0 | 0 | 107.5 | A499 T500 I502 T510 E545 I547 | A499-L508 CarbonylContact C-O 3.57Å; T500-L508 PolarHBondContact N-O 3.12Å; T500-L508 PolarHBondContact O-N 3.34Å; I502-L508 HydrophobicContact CD1-CB 4.21Å; I502-L508 HydrophobicContact CG1-CB 4.27Å; I502-L508 HydrophobicContact CG2-CB 3.54Å; I502-L508 HydrophobicContact CG2-CD2 4.22Å; L508-T510 HydrophobicContact CD1-CG2 4.12Å; L508-T510 HydrophobicContact CD2-CG2 4.14Å; L508-T510 HydrophobicContact CG-CG2 3.96Å; L508-E545 HydrophobicContact CD1-CB 4.42Å; L508-I547 HydrophobicContact CD1-CG1 3.99Å |
| 509 | L | 89.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 112.2 | 169.4 | -172.6 | 68.4 | 0 | 0 | 0 | 107.9 | V497 K498 A499 W511 I525 E545 K546 I548 F559 V561 | V497-L509 HydrophobicContact CG1-CD1 3.9Å; K498-L509 WeakPolarHBondContact O-CA 3.49Å; A499-L509 HydrophobicContact CB-CD1 4.09Å; L509-W511 HydrophobicContact CD2-CE3 4.49Å; L509-W511 HydrophobicContact CD2-CZ3 4.35Å; L509-W511 HydrophobicContact CG-CE3 4.18Å; L509-W511 HydrophobicContact CG-CZ3 4.26Å; L509-W511 WeakPolarHBondContact O-CZ3 3.32Å; L509-I525 HydrophobicContact CD2-CD1 4.37Å; L509-I525 HydrophobicContact CD2-CG1 4.4Å; L509-I525 HydrophobicContact CD2-CG2 3.55Å; L509-E545 CarbonylContact O-C 3.59Å; L509-E545 WeakPolarHBondContact O-CA 3.41Å; L509-K546 PolarHBondContact N-O 3.08Å; L509-K546 PolarHBondContact O-N 3.2Å; L509-I548 HydrophobicContact CB-CD1 4.31Å; L509-I548 HydrophobicContact CD2-CD1 4.18Å; L509-F559 HydrophobicContact CD1-CB 3.83Å; L509-F559 HydrophobicContact CD1-CG 4.2Å; L509-F559 HydrophobicContact CD2-CB 4.33Å; L509-V561 HydrophobicContact CD2-CG2 3.81Å; L509-V561 HydrophobicContact CG-CG2 4.4Å |
| 510 | T | 89.9 | Confident | 78.2 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 150.8 | 169.8 | 48.4 | 0 | 0 | 0 | 0 | 110 | V497 K498 L508 E545 | V497-T510 CarbonylContact C-O 3.47Å; V497-T510 VanDerWaalsContact CA-O 3.31Å; V497-T510 WeakPolarHBondContact CA-O 3.5Å; K498-T510 PolarHBondContact N-O 3.09Å; K498-T510 PolarHBondContact O-N 2.93Å; L508-T510 HydrophobicContact CD1-CG2 4.12Å; L508-T510 HydrophobicContact CD2-CG2 4.14Å; L508-T510 HydrophobicContact CG-CG2 3.96Å; T510-E545 HydrophobicContact CG2-CB 3.91Å |
| 511 | W | 88.2 | Confident | 78 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 162.6 | 168.4 | 58.5 | 98 | 0 | 0 | 0 | 109.4 | P494 V497 L509 Y523 I525 M539 L543 T544 K546 V561 | P494-W511 HydrophobicContact CB-CB 4.26Å; P494-W511 HydrophobicContact CB-CG 4.45Å; V497-W511 HydrophobicContact CB-CB 4.5Å; V497-W511 HydrophobicContact CG2-CB 3.89Å; L509-W511 HydrophobicContact CD2-CE3 4.49Å; L509-W511 HydrophobicContact CD2-CZ3 4.35Å; L509-W511 HydrophobicContact CG-CE3 4.18Å; L509-W511 HydrophobicContact CG-CZ3 4.26Å; L509-W511 WeakPolarHBondContact O-CZ3 3.32Å; W511-Y523 AromaticContact CD1-CD1 3.91Å; W511-Y523 AromaticContact CD1-CE1 3.68Å; W511-Y523 HydrophobicContact CZ2-CD2 4.34Å; W511-Y523 HydrophobicContact CZ2-CG 4.2Å; W511-Y523 AromaticContact NE1-CD1 3.24Å; W511-Y523 AromaticContact NE1-CD2 3.8Å; W511-Y523 AromaticContact NE1-CE1 3.29Å; W511-Y523 VanDerWaalsContact NE1-CE1 3.29Å; W511-Y523 AromaticContact NE1-CE2 3.84Å; W511-Y523 AromaticContact NE1-CG 3.52Å; W511-Y523 AromaticContact NE1-CZ 3.61Å; W511-I525 HydrophobicContact CH2-CD1 3.66Å; W511-I525 HydrophobicContact CH2-CG1 4.24Å; W511-I525 HydrophobicContact CZ3-CD1 3.89Å; W511-I525 HydrophobicContact CZ3-CG1 4.43Å; W511-M539 HydrophobicContact CH2-CE 4.1Å; W511-L543 VanDerWaalsContact CZ2-O 3.28Å; W511-L543 WeakPolarHBondContact CZ2-O 3.46Å; W511-T544 PolarHBondContact N-O 3.05Å; W511-T544 WeakPolarHBondContact O-CB 3.35Å; W511-T544 VanDerWaalsContact O-O 3.05Å; W511-K546 HydrophobicContact CH2-CB 4.12Å; W511-K546 HydrophobicContact CZ3-CB 4Å; W511-V561 HydrophobicContact CD2-CG1 3.97Å; W511-V561 HydrophobicContact CD2-CG2 4.25Å; W511-V561 HydrophobicContact CE3-CG1 4.49Å; W511-V561 HydrophobicContact CE3-CG2 4.07Å; W511-V561 HydrophobicContact CG-CG1 4.11Å |
| 512 | E | 81.4 | Confident | 78 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141 | 170.6 | -77.2 | 159.7 | -139.9 | 0 | 0 | 109.3 | Q495 N496 | Q495-E512 HydrophobicContact CB-CB 4.08Å; Q495-E512 PolarHBondContact N-O 3.42Å; Q495-E512 PolarHBondContact O-N 3.03Å; N496-E512 HydrophobicContact CB-CG 4.26Å; N496-E512 WeakPolarHBondContact CB-OE1 3.19Å; N496-E512 PolarHBondContact ND2-OE1 3.39Å; N496-E512 PolarHBondContact ND2-OE2 3.15Å |
| 513 | S | 77.5 | Confident | 78.3 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 140.6 | 168.9 | -59.1 | 0 | 0 | 0 | 0 | 109.9 | L515 Y523 | S513-L515 PolarHBondContact O-N 3.23Å; S513-Y523 WeakPolarHBondContact CA-OH 3.44Å; S513-Y523 PolarHBondContact OG-OH 2.83Å; S513-Y523 VanDerWaalsContact OG-OH 3.05Å |
| 514 | P | 73.8 | Confident | 78.7 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 129.2 | 177.5 | -22.9 | 32.5 | 0 | 0 | 0 | 110.5 | P491 G492 F516 S517 A563 | P491-P514 HydrophobicContact CB-CB 4.49Å; P491-P514 HydrophobicContact CB-CG 4.16Å; G492-P514 WeakPolarHBondContact O-CB 3.28Å; G492-P514 WeakPolarHBondContact O-CG 3.29Å; P514-F516 PolarHBondContact O-N 2.63Å; P514-S517 WeakPolarHBondContact CB-OG 3.39Å; P514-S517 PolarHBondContact O-N 3.11Å; P514-S517 VanDerWaalsContact O-N 3.15Å; P514-S517 PolarHBondContact O-OG 3.37Å; P514-A563 HydrophobicContact CG-CB 3.91Å |
| 515 | L | 61.1 | Low | 79.2 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -9.8 | -168.4 | -73.6 | 163.4 | 0 | 0 | 0 | 115.9 | H399 Q495 S513 | H399-L515 HydrophobicContact CB-CD1 4.34Å; Q495-L515 HydrophobicContact CG-CD1 4.13Å; Q495-L515 HydrophobicContact CG-CG 4.1Å; S513-L515 PolarHBondContact O-N 3.23Å |
| 516 | F | 59.9 | Low | 79.5 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 33.8 | -175.7 | -54 | -72.2 | 0 | 0 | 0 | 113.4 | R401 P514 | R401-F516 HydrophobicContact CB-CD2 3.75Å; R401-F516 HydrophobicContact CB-CE2 3.83Å; R401-F516 HydrophobicContact CB-CG 4.46Å; R401-F516 HydrophobicContact CG-CD2 4.4Å; R401-F516 HydrophobicContact CG-CE2 4.15Å; R401-F516 HydrophobicContact CG-CZ 4.46Å; P514-F516 PolarHBondContact O-N 2.63Å |
| 517 | S | 60.8 | Low | 79.7 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | trans | -123.4 | 112.2 | 176.2 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | P514 V520 | P514-S517 WeakPolarHBondContact CB-OG 3.39Å; P514-S517 PolarHBondContact O-N 3.11Å; P514-S517 VanDerWaalsContact O-N 3.15Å; P514-S517 PolarHBondContact O-OG 3.37Å; S517-V520 WeakPolarHBondContact OG-CG2 3.42Å | ||
| 518 | S | 58.6 | Low | 79.4 | Confident | 111 Ų | 111 | 43.1 Ų | 43.1 | 78% | 0.776 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -83.4 | -21.9 | 172.3 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 519 | D | 70.9 | Confident | 78.9 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | trans | -110.5 | 33.8 | -159.9 | -54.6 | -1.6 | 0 | 0 | 0 | 112.9 | S565 | D519-S565 VanDerWaalsContact O-CA 3.29Å; D519-S565 WeakPolarHBondContact O-CA 3.29Å; D519-S565 WeakPolarHBondContact O-CB 3.29Å | ||
| 520 | V | 73.8 | Confident | 77.8 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.4 | -176 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | S517 Y523 S541 A563 K564 | S517-V520 WeakPolarHBondContact OG-CG2 3.42Å; V520-Y523 HydrophobicContact CG1-CE1 4.37Å; V520-Y523 HydrophobicContact CG1-CE2 4.01Å; V520-S541 WeakPolarHBondContact O-CB 3.5Å; V520-A563 HydrophobicContact CG1-CB 4.4Å; V520-K564 CarbonylContact C-O 3.55Å; V520-K564 WeakPolarHBondContact CA-O 3.42Å |
| 521 | V | 81.1 | Confident | 76.4 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -46.4 | -173.9 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | S541 K564 Q566 | V521-S541 VanDerWaalsContact O-CB 3.29Å; V521-S541 WeakPolarHBondContact O-CB 3.33Å; V521-S541 PolarHBondContact O-N 2.8Å; V521-S541 PolarHBondContact O-OG 3.23Å; V521-K564 PolarHBondContact N-O 3.05Å; V521-Q566 HydrophobicContact CG2-CG 3.92Å |
| 522 | N | 84.1 | Confident | 75.1 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 171 | 171.1 | 74.3 | -8.2 | 0 | 0 | 0 | 110.5 | E538 M539 K564 | N522-E538 PolarHBondContact ND2-OE1 2.71Å; N522-E538 VanDerWaalsContact ND2-OE1 3.08Å; N522-E538 PolarHBondContact ND2-OE2 2.7Å; N522-M539 CarbonylContact C-O 3.56Å; N522-M539 WeakPolarHBondContact CA-O 3.45Å; N522-M539 VanDerWaalsContact CB-O 3.29Å; N522-M539 WeakPolarHBondContact CB-O 3.29Å; N522-K564 PolarHBondContact O-N 2.98Å; N522-K564 WeakPolarHBondContact OD1-CB 3.27Å; N522-K564 WeakPolarHBondContact OD1-CD 3.34Å |
| 523 | Y | 88.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 151.5 | 169.1 | -67.1 | -85.7 | 0 | 0 | 0 | 109.6 | W511 S513 V520 E538 M539 L543 T544 V561 S562 A563 | W511-Y523 AromaticContact CD1-CD1 3.91Å; W511-Y523 AromaticContact CD1-CE1 3.68Å; W511-Y523 HydrophobicContact CZ2-CD2 4.34Å; W511-Y523 HydrophobicContact CZ2-CG 4.2Å; W511-Y523 AromaticContact NE1-CD1 3.24Å; W511-Y523 AromaticContact NE1-CD2 3.8Å; W511-Y523 AromaticContact NE1-CE1 3.29Å; W511-Y523 VanDerWaalsContact NE1-CE1 3.29Å; W511-Y523 AromaticContact NE1-CE2 3.84Å; W511-Y523 AromaticContact NE1-CG 3.52Å; W511-Y523 AromaticContact NE1-CZ 3.61Å; S513-Y523 WeakPolarHBondContact CA-OH 3.44Å; S513-Y523 PolarHBondContact OG-OH 2.83Å; S513-Y523 VanDerWaalsContact OG-OH 3.05Å; V520-Y523 HydrophobicContact CG1-CE1 4.37Å; V520-Y523 HydrophobicContact CG1-CE2 4.01Å; Y523-E538 WeakPolarHBondContact O-CA 3.45Å; Y523-M539 PolarHBondContact N-O 2.72Å; Y523-M539 PolarHBondContact O-N 2.9Å; Y523-L543 VanDerWaalsContact CD2-O 3.27Å; Y523-L543 WeakPolarHBondContact CD2-O 3.44Å; Y523-L543 WeakPolarHBondContact CE2-O 3.31Å; Y523-T544 HydrophobicContact CE2-CG2 4.47Å; Y523-V561 HydrophobicContact CD1-CG1 4.19Å; Y523-S562 VanDerWaalsContact CA-O 3.25Å; Y523-S562 WeakPolarHBondContact CA-O 3.39Å; Y523-S562 WeakPolarHBondContact CD1-O 3.46Å; Y523-A563 HydrophobicContact CD1-CB 3.81Å; Y523-A563 HydrophobicContact CE1-CB 3.61Å |
| 524 | V | 88.1 | Confident | 74.1 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.2 | 173 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | E538 V561 S562 F572 | V524-E538 HydrophobicContact CG2-CG 4.37Å; V524-V561 CarbonylContact O-C 3.56Å; V524-V561 VanDerWaalsContact O-CA 3.26Å; V524-V561 WeakPolarHBondContact O-CA 3.49Å; V524-S562 PolarHBondContact N-O 2.99Å; V524-S562 PolarHBondContact O-N 2.96Å; V524-F572 HydrophobicContact CB-CE1 4.46Å; V524-F572 HydrophobicContact CG1-CE1 4.5Å |
| 525 | I | 89.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.3 | 176.5 | -58.1 | 173.4 | 0 | 0 | 0 | 108.6 | L509 W511 Y527 D536 E537 M539 K546 I548 Q560 V561 | L509-I525 HydrophobicContact CD2-CD1 4.37Å; L509-I525 HydrophobicContact CD2-CG1 4.4Å; L509-I525 HydrophobicContact CD2-CG2 3.55Å; W511-I525 HydrophobicContact CH2-CD1 3.66Å; W511-I525 HydrophobicContact CH2-CG1 4.24Å; W511-I525 HydrophobicContact CZ3-CD1 3.89Å; W511-I525 HydrophobicContact CZ3-CG1 4.43Å; I525-Y527 HydrophobicContact CG2-CD1 4.49Å; I525-D536 CarbonylContact O-C 3.57Å; I525-D536 VanDerWaalsContact O-CA 3.26Å; I525-D536 WeakPolarHBondContact O-CA 3.42Å; I525-E537 PolarHBondContact N-O 2.78Å; I525-E537 PolarHBondContact O-N 2.9Å; I525-M539 HydrophobicContact CD1-CE 4.45Å; I525-M539 HydrophobicContact CD1-CG 3.82Å; I525-M539 HydrophobicContact CG1-CG 4.44Å; I525-K546 HydrophobicContact CD1-CB 3.62Å; I525-K546 HydrophobicContact CD1-CG 3.78Å; I525-I548 HydrophobicContact CG2-CD1 4.3Å; I525-Q560 CarbonylContact C-O 3.51Å; I525-Q560 WeakPolarHBondContact CA-O 3.48Å; I525-V561 HydrophobicContact CG1-CG2 4.42Å |
| 526 | R | 88.7 | Confident | 75.6 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.3 | 177.4 | 169.3 | 171 | -67 | 162.8 | 2.7 | 110.9 | Y534 V535 D536 F559 Q560 | R526-Y534 HydrophobicContact CG-CD1 3.49Å; R526-Y534 VanDerWaalsContact CG-CD1 3.49Å; R526-Y534 HydrophobicContact CG-CE1 4.19Å; R526-Y534 HydrophobicContact CG-CG 4.18Å; R526-V535 CarbonylContact C-O 3.55Å; R526-V535 VanDerWaalsContact CA-O 3.31Å; R526-V535 WeakPolarHBondContact CA-O 3.3Å; R526-D536 VanDerWaalsContact CB-OD1 3.27Å; R526-D536 WeakPolarHBondContact CB-OD1 3.21Å; R526-D536 VanDerWaalsContact CG-OD1 3.23Å; R526-D536 WeakPolarHBondContact CG-OD1 3.47Å; R526-D536 IonicContact CZ-OD1 2.78Å; R526-D536 IonicContact CZ-OD2 3.4Å; R526-D536 IonicContact NE-OD1 3.72Å; R526-D536 PolarHBondContact NE-OD1 3.4Å; R526-D536 IonicContact NE-OD2 3.3Å; R526-D536 PolarHBondContact NE-OD2 2.83Å; R526-D536 IonicContact NH2-OD1 2.69Å; R526-D536 IonicContact NH2-OD2 2.73Å; R526-D536 PolarHBondContact NH2-OD2 2.63Å; R526-F559 CarbonylContact O-C 3.49Å; R526-F559 VanDerWaalsContact O-CA 3.32Å; R526-F559 WeakPolarHBondContact O-CA 3.5Å; R526-Q560 HydrophobicContact CB-CB 4.31Å; R526-Q560 PolarHBondContact N-O 3.32Å; R526-Q560 PolarHBondContact O-N 3.28Å |
| 527 | Y | 90.2 | Very high | 76.7 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 156.4 | 179.8 | 68.3 | -83.3 | 0 | 0 | 0 | 116.5 | I525 V535 I548 T558 F559 | I525-Y527 HydrophobicContact CG2-CD1 4.49Å; Y527-V535 HydrophobicContact CD1-CB 4.19Å; Y527-V535 HydrophobicContact CE1-CB 3.81Å; Y527-V535 HydrophobicContact CE1-CG1 3.73Å; Y527-V535 HydrophobicContact CE2-CB 4.22Å; Y527-V535 HydrophobicContact CE2-CG2 4.46Å; Y527-V535 PolarHBondContact N-O 3.32Å; Y527-V535 PolarHBondContact O-N 3.36Å; Y527-I548 HydrophobicContact CD1-CD1 4.23Å; Y527-I548 HydrophobicContact CD2-CG2 4.36Å; Y527-I548 HydrophobicContact CE1-CG2 4.39Å; Y527-I548 HydrophobicContact CE2-CG2 3.94Å; Y527-I548 HydrophobicContact CG-CD1 4.46Å; Y527-T558 CarbonylContact C-O 3.59Å; Y527-T558 WeakPolarHBondContact CA-O 3.49Å; Y527-T558 WeakPolarHBondContact CB-O 3.41Å; Y527-F559 VanDerWaalsContact CB-CD1 3.49Å; Y527-F559 HydrophobicContact CD2-CE1 4.5Å; Y527-F559 HydrophobicContact CG-CD1 4.3Å; Y527-F559 HydrophobicContact CG-CE1 4.31Å |
| 528 | N | 82.3 | Confident | 77.7 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.059 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 170.8 | 174.4 | 73 | 17.1 | 0 | 0 | 0 | 113.9 | T530 N533 Y534 Y557 T558 | N528-T530 WeakPolarHBondContact CB-O 3.35Å; N528-T530 PolarHBondContact ND2-O 3.08Å; N528-N533 WeakPolarHBondContact CB-O 3.47Å; N528-Y534 HydrophobicContact CB-CD1 4.24Å; N528-Y534 WeakPolarHBondContact ND2-CE1 3.48Å; N528-Y557 CarbonylContact O-C 3.52Å; N528-Y557 VanDerWaalsContact O-CA 3.31Å; N528-Y557 WeakPolarHBondContact O-CA 3.47Å; N528-Y557 WeakPolarHBondContact O-CD1 3.31Å; N528-T558 PolarHBondContact N-O 2.96Å; N528-T558 PolarHBondContact O-N 3.14Å; N528-T558 VanDerWaalsContact OD1-CB 3.27Å; N528-T558 WeakPolarHBondContact OD1-CB 3.27Å; N528-T558 PolarHBondContact OD1-OG1 2.89Å; N528-T558 VanDerWaalsContact OD1-OG1 3.1Å |
| 529 | H | 78.7 | Confident | 78.5 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -125.1 | -15.3 | 163.2 | 71.2 | -82.4 | 0 | 0 | 0 | 113.2 | Y557 | H529-Y557 HydrophobicContact CB-CD1 3.71Å; H529-Y557 HydrophobicContact CB-CD2 4.45Å; H529-Y557 HydrophobicContact CB-CE1 3.59Å; H529-Y557 HydrophobicContact CB-CE2 4.34Å; H529-Y557 HydrophobicContact CB-CG 4.13Å |
| 530 | T | 66.4 | Low | 78.4 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -121.9 | 143.3 | 170.8 | 38.8 | 0 | 0 | 0 | 0 | 108.5 | N528 S532 | N528-T530 WeakPolarHBondContact CB-O 3.35Å; N528-T530 PolarHBondContact ND2-O 3.08Å; T530-S532 PolarHBondContact O-N 2.89Å |
| 531 | P | 60.6 | Low | 78.1 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 74% | 0.74 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.3 | -171.1 | -26.1 | 35.5 | 0 | 0 | 0 | 116.1 | ||
| 532 | S | 60.9 | Low | 77.4 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -21.1 | -169.3 | 44.5 | 0 | 0 | 0 | 0 | 115.6 | T530 | T530-S532 PolarHBondContact O-N 2.89Š|
| 533 | N | 63.6 | Low | 76.8 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | trans | -124.9 | 105.8 | -175.2 | -75.6 | -17.7 | 0 | 0 | 0 | 110.9 | N528 | N528-N533 WeakPolarHBondContact CB-O 3.47Š| ||
| 534 | Y | 74.8 | Confident | 76.5 | Confident | 131 Ų | 131 | 69 Ų | 69 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | trans | -93.2 | 139.4 | 169.7 | -70.3 | -82.3 | 0 | 0 | 0 | 110.8 | R526 N528 | R526-Y534 HydrophobicContact CG-CD1 3.49Å; R526-Y534 VanDerWaalsContact CG-CD1 3.49Å; R526-Y534 HydrophobicContact CG-CE1 4.19Å; R526-Y534 HydrophobicContact CG-CG 4.18Å; N528-Y534 HydrophobicContact CB-CD1 4.24Å; N528-Y534 WeakPolarHBondContact ND2-CE1 3.48Å | ||
| 535 | V | 81.4 | Confident | 76.5 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.5 | 166.9 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | R526 Y527 | R526-V535 CarbonylContact C-O 3.55Å; R526-V535 VanDerWaalsContact CA-O 3.31Å; R526-V535 WeakPolarHBondContact CA-O 3.3Å; Y527-V535 HydrophobicContact CD1-CB 4.19Å; Y527-V535 HydrophobicContact CE1-CB 3.81Å; Y527-V535 HydrophobicContact CE1-CG1 3.73Å; Y527-V535 HydrophobicContact CE2-CB 4.22Å; Y527-V535 HydrophobicContact CE2-CG2 4.46Å; Y527-V535 PolarHBondContact N-O 3.32Å; Y527-V535 PolarHBondContact O-N 3.36Å |
| 536 | D | 85 | Confident | 76.3 | Confident | 80 Ų | 80 | 76.1 Ų | 76.1 | 43% | 0.428 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.7 | 176.4 | -73.4 | 2.2 | 0 | 0 | 0 | 110.2 | I525 R526 | I525-D536 CarbonylContact O-C 3.57Å; I525-D536 VanDerWaalsContact O-CA 3.26Å; I525-D536 WeakPolarHBondContact O-CA 3.42Å; R526-D536 VanDerWaalsContact CB-OD1 3.27Å; R526-D536 WeakPolarHBondContact CB-OD1 3.21Å; R526-D536 VanDerWaalsContact CG-OD1 3.23Å; R526-D536 WeakPolarHBondContact CG-OD1 3.47Å; R526-D536 IonicContact CZ-OD1 2.78Å; R526-D536 IonicContact CZ-OD2 3.4Å; R526-D536 IonicContact NE-OD1 3.72Å; R526-D536 PolarHBondContact NE-OD1 3.4Å; R526-D536 IonicContact NE-OD2 3.3Å; R526-D536 PolarHBondContact NE-OD2 2.83Å; R526-D536 IonicContact NH2-OD1 2.69Å; R526-D536 IonicContact NH2-OD2 2.73Å; R526-D536 PolarHBondContact NH2-OD2 2.63Å |
| 537 | E | 83 | Confident | 76.3 | Confident | 61 Ų | 61 | 76 Ų | 76 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.1 | 173.6 | -68.5 | -168.8 | 170.1 | 0 | 0 | 111.1 | I525 K546 | I525-E537 PolarHBondContact N-O 2.78Å; I525-E537 PolarHBondContact O-N 2.9Å; E537-K546 WeakPolarHBondContact OE2-CE 3.42Å; E537-K546 IonicContact OE2-NZ 3.72Å; E537-K546 PolarHBondContact OE2-NZ 3.37Å |
| 538 | E | 81.3 | Confident | 76.2 | Confident | 131 Ų | 131 | 74.4 Ų | 74.4 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 144.5 | 168.9 | -66.9 | -152.2 | 149.3 | 0 | 0 | 112.1 | N522 Y523 V524 | N522-E538 PolarHBondContact ND2-OE1 2.71Å; N522-E538 VanDerWaalsContact ND2-OE1 3.08Å; N522-E538 PolarHBondContact ND2-OE2 2.7Å; Y523-E538 WeakPolarHBondContact O-CA 3.45Å; V524-E538 HydrophobicContact CG2-CG 4.37Å |
| 539 | M | 75 | Confident | 76.4 | Confident | 20 Ų | 20 | 78.3 Ų | 78.3 | 10% | 0.099 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134 | -178.5 | -72 | -88 | -75.8 | 0 | 0 | 110.3 | W511 N522 Y523 I525 L543 E545 K546 | W511-M539 HydrophobicContact CH2-CE 4.1Å; N522-M539 CarbonylContact C-O 3.56Å; N522-M539 WeakPolarHBondContact CA-O 3.45Å; N522-M539 VanDerWaalsContact CB-O 3.29Å; N522-M539 WeakPolarHBondContact CB-O 3.29Å; Y523-M539 PolarHBondContact N-O 2.72Å; Y523-M539 PolarHBondContact O-N 2.9Å; I525-M539 HydrophobicContact CD1-CE 4.45Å; I525-M539 HydrophobicContact CD1-CG 3.82Å; I525-M539 HydrophobicContact CG1-CG 4.44Å; M539-L543 HydrophobicContact CE-CB 3.71Å; M539-L543 HydrophobicContact CE-CD1 3.51Å; M539-L543 HydrophobicContact CE-CG 4.21Å; M539-L543 HydrophobicContact SD-CD1 3.91Å; M539-E545 VanDerWaalsContact CE-O 3.22Å; M539-E545 WeakPolarHBondContact CE-O 3.09Å; M539-K546 HydrophobicContact CE-CB 4Å; M539-K546 HydrophobicContact CE-CD 3.84Å; M539-K546 HydrophobicContact CE-CG 4.41Å; M539-K546 HydrophobicContact SD-CD 3.9Å |
| 540 | G | 69.6 | Low | 76.5 | Confident | 44 Ų | 44 | 80.6 Ų | 80.6 | 45% | 0.454 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 151.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A542 L543 | G540-A542 PolarHBondContact O-N 3.14Å; G540-L543 PolarHBondContact O-N 2.96Å |
| 541 | S | 67.9 | Low | 77.3 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -20.7 | -174.5 | 51 | 0 | 0 | 0 | 0 | 116.5 | V520 V521 L543 | V520-S541 WeakPolarHBondContact O-CB 3.5Å; V521-S541 VanDerWaalsContact O-CB 3.29Å; V521-S541 WeakPolarHBondContact O-CB 3.33Å; V521-S541 PolarHBondContact O-N 2.8Å; V521-S541 PolarHBondContact O-OG 3.23Å; S541-L543 VanDerWaalsContact C-N 3.25Å; S541-L543 PolarHBondContact O-N 2.9Å |
| 542 | A | 66.7 | Low | 78.2 | Confident | 95 Ų | 95 | 77.1 Ų | 77.1 | 79% | 0.785 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -6.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G540 | G540-A542 PolarHBondContact O-N 3.14Š|
| 543 | L | 70.1 | Confident | 79.1 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | trans | -110.2 | 123.9 | -176.5 | -60.1 | 174.1 | 0 | 0 | 0 | 111.2 | W511 Y523 M539 G540 S541 | W511-L543 VanDerWaalsContact CZ2-O 3.28Å; W511-L543 WeakPolarHBondContact CZ2-O 3.46Å; Y523-L543 VanDerWaalsContact CD2-O 3.27Å; Y523-L543 WeakPolarHBondContact CD2-O 3.44Å; Y523-L543 WeakPolarHBondContact CE2-O 3.31Å; M539-L543 HydrophobicContact CE-CB 3.71Å; M539-L543 HydrophobicContact CE-CD1 3.51Å; M539-L543 HydrophobicContact CE-CG 4.21Å; M539-L543 HydrophobicContact SD-CD1 3.91Å; G540-L543 PolarHBondContact O-N 2.96Å; S541-L543 VanDerWaalsContact C-N 3.25Å; S541-L543 PolarHBondContact O-N 2.9Å | ||
| 544 | T | 83 | Confident | 80 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | trans | -115.4 | 11.8 | 173.9 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | W511 Y523 | W511-T544 PolarHBondContact N-O 3.05Å; W511-T544 WeakPolarHBondContact O-CB 3.35Å; W511-T544 VanDerWaalsContact O-O 3.05Å; Y523-T544 HydrophobicContact CE2-CG2 4.47Å | ||
| 545 | E | 87.2 | Confident | 80.2 | Confident | 114 Ų | 114 | 66.2 Ų | 66.2 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155.7 | 176.6 | 63 | 173.4 | -158.3 | 0 | 0 | 111.9 | L508 L509 T510 M539 | L508-E545 HydrophobicContact CD1-CB 4.42Å; L509-E545 CarbonylContact O-C 3.59Å; L509-E545 WeakPolarHBondContact O-CA 3.41Å; T510-E545 HydrophobicContact CG2-CB 3.91Å; M539-E545 VanDerWaalsContact CE-O 3.22Å; M539-E545 WeakPolarHBondContact CE-O 3.09Å |
| 546 | K | 86.4 | Confident | 80.4 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 132.7 | 176.9 | 179.8 | 66.2 | 172.5 | -143.7 | 0 | 109.7 | L509 W511 I525 E537 M539 I548 | L509-K546 PolarHBondContact N-O 3.08Å; L509-K546 PolarHBondContact O-N 3.2Å; W511-K546 HydrophobicContact CH2-CB 4.12Å; W511-K546 HydrophobicContact CZ3-CB 4Å; I525-K546 HydrophobicContact CD1-CB 3.62Å; I525-K546 HydrophobicContact CD1-CG 3.78Å; E537-K546 WeakPolarHBondContact OE2-CE 3.42Å; E537-K546 IonicContact OE2-NZ 3.72Å; E537-K546 PolarHBondContact OE2-NZ 3.37Å; M539-K546 HydrophobicContact CE-CB 4Å; M539-K546 HydrophobicContact CE-CD 3.84Å; M539-K546 HydrophobicContact CE-CG 4.41Å; M539-K546 HydrophobicContact SD-CD 3.9Å; K546-I548 HydrophobicContact CG-CG1 3.81Å |
| 547 | I | 89.1 | Confident | 80.4 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 35% | 0.349 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.8 | 160.6 | -60 | 177.4 | 0 | 0 | 0 | 108.2 | I502 M507 L508 E549 | I502-I547 HydrophobicContact CD1-CD1 3.9Å; I502-I547 HydrophobicContact CD1-CG1 4.06Å; I502-I547 HydrophobicContact CD1-CG2 3.89Å; M507-I547 WeakPolarHBondContact O-CA 3.27Å; L508-I547 HydrophobicContact CD1-CG1 3.99Å; I547-E549 HydrophobicContact CG2-CG 3.68Å |
| 548 | I | 87.4 | Confident | 80.6 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.8 | 173.9 | -55.5 | 174.5 | 0 | 0 | 0 | 107.1 | R506 M507 L509 I525 Y527 K546 L551 F559 | R506-I548 WeakPolarHBondContact CA-O 3.36Å; M507-I548 PolarHBondContact N-O 3.4Å; M507-I548 PolarHBondContact O-N 2.83Å; L509-I548 HydrophobicContact CB-CD1 4.31Å; L509-I548 HydrophobicContact CD2-CD1 4.18Å; I525-I548 HydrophobicContact CG2-CD1 4.3Å; Y527-I548 HydrophobicContact CD1-CD1 4.23Å; Y527-I548 HydrophobicContact CD2-CG2 4.36Å; Y527-I548 HydrophobicContact CE1-CG2 4.39Å; Y527-I548 HydrophobicContact CE2-CG2 3.94Å; Y527-I548 HydrophobicContact CG-CD1 4.46Å; K546-I548 HydrophobicContact CG-CG1 3.81Å; I548-L551 HydrophobicContact CG2-CD2 4.04Å; I548-F559 HydrophobicContact CD1-CD1 3.62Å; I548-F559 HydrophobicContact CD1-CE1 3.54Å |
| 549 | E | 85.7 | Confident | 80.9 | Confident | 94 Ų | 94 | 56.2 Ų | 56.2 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | trans | -113.5 | -178.6 | -170.1 | -54.4 | -160.7 | 148.6 | 0 | 0 | 111.9 | K505 R506 I547 L551 | K505-E549 CarbonylContact O-C 3.51Å; R506-E549 HydrophobicContact CG-CG 4.25Å; R506-E549 IonicContact CZ-OE1 3.13Å; R506-E549 IonicContact NE-OE1 3.71Å; R506-E549 PolarHBondContact NE-OE1 3.12Å; R506-E549 IonicContact NH2-OE1 2.79Å; R506-E549 PolarHBondContact NH2-OE1 3.23Å; I547-E549 HydrophobicContact CG2-CG 3.68Å; E549-L551 PolarHBondContact O-N 2.66Å | ||
| 550 | N | 80.5 | Confident | 81.6 | Confident | 149 Ų | 149 | 56.8 Ų | 56.8 | 80% | 0.797 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 58.1 | 28.5 | -179.3 | -57.6 | -39.9 | 0 | 0 | 0 | 114.7 | K505 | K505-N550 PolarHBondContact O-N 2.74Å; K505-N550 VanDerWaalsContact O-N 3.16Å |
| 551 | L | 84.5 | Confident | 82.5 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 159.7 | 175.3 | -51 | 179.3 | 0 | 0 | 0 | 111.5 | K505 M507 I548 E549 Y557 T580 | K505-L551 VanDerWaalsContact CA-O 3.26Å; K505-L551 WeakPolarHBondContact CA-O 3.44Å; K505-L551 WeakPolarHBondContact CB-O 3.31Å; K505-L551 WeakPolarHBondContact CG-O 3.49Å; K505-L551 PolarHBondContact O-N 2.83Å; M507-L551 HydrophobicContact CB-CD1 3.45Å; M507-L551 VanDerWaalsContact CB-CD1 3.45Å; M507-L551 HydrophobicContact CE-CD1 4.29Å; I548-L551 HydrophobicContact CG2-CD2 4.04Å; E549-L551 PolarHBondContact O-N 2.66Å; L551-Y557 WeakPolarHBondContact CA-OH 3.28Å; L551-Y557 HydrophobicContact CB-CD2 4.47Å; L551-Y557 HydrophobicContact CB-CE2 3.83Å; L551-Y557 HydrophobicContact CD2-CD1 3.8Å; L551-Y557 HydrophobicContact CD2-CD2 4.46Å; L551-Y557 HydrophobicContact CD2-CE1 3.44Å; L551-Y557 VanDerWaalsContact CD2-CE1 3.44Å; L551-Y557 HydrophobicContact CD2-CE2 4.17Å; L551-Y557 HydrophobicContact CD2-CG 4.3Å; L551-Y557 HydrophobicContact CG-CE2 4.46Å; L551-T580 HydrophobicContact CB-CG2 3.87Å; L551-T580 HydrophobicContact CD1-CG2 4.06Å |
| 552 | L | 79.2 | Confident | 83.4 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 139.9 | 175.7 | -66 | 173 | 0 | 0 | 0 | 111.8 | A504 T555 Y557 T580 | A504-L552 CarbonylContact O-C 3.57Å; L552-T555 HydrophobicContact CB-CG2 4.07Å; L552-T555 WeakPolarHBondContact CB-OG1 3.41Å; L552-T555 HydrophobicContact CD1-CG2 4.42Å; L552-T555 WeakPolarHBondContact O-CB 3.46Å; L552-Y557 HydrophobicContact CB-CE2 4.5Å; L552-Y557 PolarHBondContact N-OH 3.44Å; L552-T580 WeakPolarHBondContact O-CB 3.48Å; L552-T580 WeakPolarHBondContact O-CG2 3.12Å; L552-T580 PolarHBondContact O-OG1 3.2Å |
| 553 | P | 80.3 | Confident | 84.3 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 148 | 172.2 | -26.1 | 36.3 | 0 | 0 | 0 | 114 | A504 K505 T555 | A504-P553 HydrophobicContact CB-CB 4.14Å; A504-P553 HydrophobicContact CB-CG 4.2Å; A504-P553 WeakPolarHBondContact O-CA 3.44Å; K505-P553 HydrophobicContact CG-CG 4.24Å; P553-T555 PolarHBondContact O-N 3.45Å; P553-T555 PolarHBondContact O-OG1 3.04Å |
| 554 | N | 81.5 | Confident | 84.7 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 37 | 175.8 | -165.4 | 27.8 | 0 | 0 | 0 | 114 | K579 T580 N581 | N554-K579 WeakPolarHBondContact O-CE 3.43Å; N554-K579 VanDerWaalsContact OD1-CE 3.29Å; N554-K579 WeakPolarHBondContact OD1-CE 3.4Å; N554-K579 PolarHBondContact OD1-NZ 2.98Å; N554-T580 PolarHBondContact N-OG1 2.67Å; N554-N581 PolarHBondContact N-O 2.78Å |
| 555 | T | 80.4 | Confident | 84.3 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | trans | -127.3 | 142.9 | -170.4 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | L552 P553 Y557 K579 T580 | L552-T555 HydrophobicContact CB-CG2 4.07Å; L552-T555 WeakPolarHBondContact CB-OG1 3.41Å; L552-T555 HydrophobicContact CD1-CG2 4.42Å; L552-T555 WeakPolarHBondContact O-CB 3.46Å; P553-T555 PolarHBondContact O-N 3.45Å; P553-T555 PolarHBondContact O-OG1 3.04Å; T555-Y557 HydrophobicContact CG2-CD2 4.35Å; T555-Y557 HydrophobicContact CG2-CE2 3.88Å; T555-K579 WeakPolarHBondContact O-CA 3.27Å; T555-T580 PolarHBondContact N-OG1 2.79Å; T555-T580 PolarHBondContact O-N 2.98Å; T555-T580 PolarHBondContact O-OG1 3.24Å | ||
| 556 | N | 84.3 | Confident | 83.8 | Confident | 89 Ų | 89 | 47.3 Ų | 47.3 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 135.1 | 179.6 | -65.7 | 1.5 | 0 | 0 | 0 | 111.2 | K579 | N556-K579 WeakPolarHBondContact OD1-CB 3.49Å; N556-K579 WeakPolarHBondContact OD1-CD 3.28Å; N556-K579 WeakPolarHBondContact OD1-CE 3.44Å; N556-K579 WeakPolarHBondContact OD1-CG 3.36Å |
| 557 | Y | 85.6 | Confident | 83.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.8 | 170.6 | -75.8 | -104.2 | 0 | 0 | 0 | 110.2 | N528 H529 L551 L552 T555 F559 Q577 Q578 T580 | N528-Y557 CarbonylContact O-C 3.52Å; N528-Y557 VanDerWaalsContact O-CA 3.31Å; N528-Y557 WeakPolarHBondContact O-CA 3.47Å; N528-Y557 WeakPolarHBondContact O-CD1 3.31Å; H529-Y557 HydrophobicContact CB-CD1 3.71Å; H529-Y557 HydrophobicContact CB-CD2 4.45Å; H529-Y557 HydrophobicContact CB-CE1 3.59Å; H529-Y557 HydrophobicContact CB-CE2 4.34Å; H529-Y557 HydrophobicContact CB-CG 4.13Å; L551-Y557 WeakPolarHBondContact CA-OH 3.28Å; L551-Y557 HydrophobicContact CB-CD2 4.47Å; L551-Y557 HydrophobicContact CB-CE2 3.83Å; L551-Y557 HydrophobicContact CD2-CD1 3.8Å; L551-Y557 HydrophobicContact CD2-CD2 4.46Å; L551-Y557 HydrophobicContact CD2-CE1 3.44Å; L551-Y557 VanDerWaalsContact CD2-CE1 3.44Å; L551-Y557 HydrophobicContact CD2-CE2 4.17Å; L551-Y557 HydrophobicContact CD2-CG 4.3Å; L551-Y557 HydrophobicContact CG-CE2 4.46Å; L552-Y557 HydrophobicContact CB-CE2 4.5Å; L552-Y557 PolarHBondContact N-OH 3.44Å; T555-Y557 HydrophobicContact CG2-CD2 4.35Å; T555-Y557 HydrophobicContact CG2-CE2 3.88Å; Y557-F559 VanDerWaalsContact CB-CE2 3.49Å; Y557-F559 VanDerWaalsContact CB-CZ 3.41Å; Y557-F559 HydrophobicContact CG-CZ 4.24Å; Y557-Q577 CarbonylContact O-C 3.59Å; Y557-Q577 VanDerWaalsContact O-CA 3.3Å; Y557-Q577 WeakPolarHBondContact O-CA 3.5Å; Y557-Q578 PolarHBondContact N-O 2.94Å; Y557-Q578 PolarHBondContact O-N 3.03Å; Y557-T580 HydrophobicContact CD2-CG2 4.42Å; Y557-T580 HydrophobicContact CE2-CG2 4.49Å |
| 558 | T | 86.8 | Confident | 82.1 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.7 | 176.4 | -40.1 | 0 | 0 | 0 | 0 | 110.4 | Y527 N528 P575 V576 Q577 | Y527-T558 CarbonylContact C-O 3.59Å; Y527-T558 WeakPolarHBondContact CA-O 3.49Å; Y527-T558 WeakPolarHBondContact CB-O 3.41Å; N528-T558 PolarHBondContact N-O 2.96Å; N528-T558 PolarHBondContact O-N 3.14Å; N528-T558 VanDerWaalsContact OD1-CB 3.27Å; N528-T558 WeakPolarHBondContact OD1-CB 3.27Å; N528-T558 PolarHBondContact OD1-OG1 2.89Å; N528-T558 VanDerWaalsContact OD1-OG1 3.1Å; T558-P575 HydrophobicContact CG2-CB 3.52Å; T558-V576 CarbonylContact C-O 3.54Å; T558-V576 WeakPolarHBondContact CA-O 3.28Å; T558-Q577 HydrophobicContact CG2-CG 3.98Å |
| 559 | F | 88.8 | Confident | 81.4 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146 | -177.3 | -52.8 | -89.3 | 0 | 0 | 0 | 112.4 | A499 M507 L509 R526 Y527 I548 Y557 P575 V576 | A499-F559 HydrophobicContact CB-CD2 3.52Å; A499-F559 HydrophobicContact CB-CE2 3.82Å; A499-F559 HydrophobicContact CB-CG 4.25Å; M507-F559 HydrophobicContact CB-CZ 4.09Å; M507-F559 HydrophobicContact CE-CE2 4Å; M507-F559 HydrophobicContact CE-CZ 4.09Å; M507-F559 HydrophobicContact CG-CE1 4.5Å; M507-F559 HydrophobicContact CG-CE2 3.99Å; M507-F559 HydrophobicContact CG-CZ 3.8Å; L509-F559 HydrophobicContact CD1-CB 3.83Å; L509-F559 HydrophobicContact CD1-CG 4.2Å; L509-F559 HydrophobicContact CD2-CB 4.33Å; R526-F559 CarbonylContact O-C 3.49Å; R526-F559 VanDerWaalsContact O-CA 3.32Å; R526-F559 WeakPolarHBondContact O-CA 3.5Å; Y527-F559 VanDerWaalsContact CB-CD1 3.49Å; Y527-F559 HydrophobicContact CD2-CE1 4.5Å; Y527-F559 HydrophobicContact CG-CD1 4.3Å; Y527-F559 HydrophobicContact CG-CE1 4.31Å; I548-F559 HydrophobicContact CD1-CD1 3.62Å; I548-F559 HydrophobicContact CD1-CE1 3.54Å; Y557-F559 VanDerWaalsContact CB-CE2 3.49Å; Y557-F559 VanDerWaalsContact CB-CZ 3.41Å; Y557-F559 HydrophobicContact CG-CZ 4.24Å; F559-P575 CarbonylContact O-C 3.53Å; F559-P575 WeakPolarHBondContact O-CA 3.29Å; F559-V576 PolarHBondContact N-O 2.8Å; F559-V576 PolarHBondContact O-N 3.21Å |
| 560 | Q | 88.9 | Confident | 80.9 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.6 | 171 | -65.8 | -175.6 | -91.2 | 0 | 0 | 111 | I525 R526 F572 S573 P575 | I525-Q560 CarbonylContact C-O 3.51Å; I525-Q560 WeakPolarHBondContact CA-O 3.48Å; R526-Q560 HydrophobicContact CB-CB 4.31Å; R526-Q560 PolarHBondContact N-O 3.32Å; R526-Q560 PolarHBondContact O-N 3.28Å; Q560-F572 HydrophobicContact CB-CD1 4.29Å; Q560-S573 WeakPolarHBondContact CA-OG 3.32Å; Q560-S573 PolarHBondContact NE2-O 2.66Å; Q560-P575 HydrophobicContact CG-CB 4.2Å; Q560-P575 HydrophobicContact CG-CG 4.22Å |
| 561 | V | 88.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.5 | 175.7 | -169.7 | 0 | 0 | 0 | 0 | 111 | P494 V497 L509 W511 Y523 V524 I525 S573 | P494-V561 HydrophobicContact CB-CB 4.49Å; P494-V561 HydrophobicContact CB-CG1 4.45Å; P494-V561 HydrophobicContact CG-CB 4.29Å; P494-V561 HydrophobicContact CG-CG1 4.09Å; V497-V561 HydrophobicContact CG1-CG2 3.88Å; V497-V561 HydrophobicContact CG2-CB 4.43Å; V497-V561 HydrophobicContact CG2-CG2 4.5Å; L509-V561 HydrophobicContact CD2-CG2 3.81Å; L509-V561 HydrophobicContact CG-CG2 4.4Å; W511-V561 HydrophobicContact CD2-CG1 3.97Å; W511-V561 HydrophobicContact CD2-CG2 4.25Å; W511-V561 HydrophobicContact CE3-CG1 4.49Å; W511-V561 HydrophobicContact CE3-CG2 4.07Å; W511-V561 HydrophobicContact CG-CG1 4.11Å; Y523-V561 HydrophobicContact CD1-CG1 4.19Å; V524-V561 CarbonylContact O-C 3.56Å; V524-V561 VanDerWaalsContact O-CA 3.26Å; V524-V561 WeakPolarHBondContact O-CA 3.49Å; I525-V561 HydrophobicContact CG1-CG2 4.42Å; V561-S573 PolarHBondContact N-OG 3.11Å; V561-S573 WeakPolarHBondContact O-CB 3.45Å; V561-S573 PolarHBondContact O-N 3.37Å |
| 562 | S | 87.4 | Confident | 80.7 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 160.7 | 165.9 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | Y523 V524 F572 | Y523-S562 VanDerWaalsContact CA-O 3.25Å; Y523-S562 WeakPolarHBondContact CA-O 3.39Å; Y523-S562 WeakPolarHBondContact CD1-O 3.46Å; V524-S562 PolarHBondContact N-O 2.99Å; V524-S562 PolarHBondContact O-N 2.96Å; S562-F572 WeakPolarHBondContact OG-CE1 3.29Å |
| 563 | A | 83.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P491 P494 P514 V520 Y523 G570 | P491-A563 HydrophobicContact CB-CB 4.31Å; P494-A563 HydrophobicContact CG-CB 4.19Å; P514-A563 HydrophobicContact CG-CB 3.91Å; V520-A563 HydrophobicContact CG1-CB 4.4Å; Y523-A563 HydrophobicContact CD1-CB 3.81Å; Y523-A563 HydrophobicContact CE1-CB 3.61Å; A563-G570 VanDerWaalsContact O-CA 3.26Å; A563-G570 WeakPolarHBondContact O-CA 3.26Å; A563-G570 PolarHBondContact O-N 2.79Å |
| 564 | K | 79.7 | Confident | 80.8 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 145.9 | -178.4 | -166.4 | 177.8 | -160.6 | 98.5 | 0 | 111.2 | V520 V521 N522 D569 | V520-K564 CarbonylContact C-O 3.55Å; V520-K564 WeakPolarHBondContact CA-O 3.42Å; V521-K564 PolarHBondContact N-O 3.05Å; N522-K564 PolarHBondContact O-N 2.98Å; N522-K564 WeakPolarHBondContact OD1-CB 3.27Å; N522-K564 WeakPolarHBondContact OD1-CD 3.34Å; K564-D569 WeakPolarHBondContact CD-OD1 3.1Å; K564-D569 WeakPolarHBondContact CE-OD1 3.47Å; K564-D569 VanDerWaalsContact CG-OD1 3.3Å; K564-D569 WeakPolarHBondContact CG-OD1 3.1Å; K564-D569 VanDerWaalsContact NZ-CG 3.33Å; K564-D569 IonicContact NZ-OD1 2.67Å; K564-D569 PolarHBondContact NZ-OD1 3.47Å; K564-D569 IonicContact NZ-OD2 3.22Å; K564-D569 PolarHBondContact NZ-OD2 3.21Å |
| 565 | S | 75.3 | Confident | 80.8 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 170.9 | 172.9 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | P491 D519 R567 G568 | P491-S565 WeakPolarHBondContact CD-OG 3.37Å; D519-S565 VanDerWaalsContact O-CA 3.29Å; D519-S565 WeakPolarHBondContact O-CA 3.29Å; D519-S565 WeakPolarHBondContact O-CB 3.29Å; S565-R567 PolarHBondContact O-N 2.7Å; S565-R567 VanDerWaalsContact O-N 3.08Å; S565-R567 PolarHBondContact OG-N 3.4Å; S565-R567 VanDerWaalsContact OG-N 3.16Å; S565-G568 PolarHBondContact N-O 3.16Å; S565-G568 PolarHBondContact O-N 2.8Å; S565-G568 VanDerWaalsContact O-N 3.08Å; S565-G568 PolarHBondContact OG-N 2.85Å; S565-G568 PolarHBondContact OG-O 2.99Å; S565-G568 VanDerWaalsContact OG-O 3.06Å |
| 566 | Q | 76.4 | Confident | 81 | Confident | 175 Ų | 175 | 52.3 Ų | 52.3 | 82% | 0.818 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.1 | 169.2 | -62.4 | -172.3 | 10 | 0 | 0 | 113.7 | V521 | V521-Q566 HydrophobicContact CG2-CG 3.92Š|
| 567 | R | 71.5 | Confident | 81.1 | Confident | 174 Ų | 174 | 54.5 Ų | 54.5 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4.4 | 178.5 | -63.4 | -175.4 | 179.6 | -144.7 | -1.8 | 114 | G489 S565 | G489-R567 WeakPolarHBondContact O-CD 3.42Å; S565-R567 PolarHBondContact O-N 2.7Å; S565-R567 VanDerWaalsContact O-N 3.08Å; S565-R567 PolarHBondContact OG-N 3.4Å; S565-R567 VanDerWaalsContact OG-N 3.16Å |
| 568 | G | 67.2 | Low | 81.1 | Confident | 28 Ų | 28 | 57 Ų | 57 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.9 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S565 | S565-G568 PolarHBondContact N-O 3.16Å; S565-G568 PolarHBondContact O-N 2.8Å; S565-G568 VanDerWaalsContact O-N 3.08Å; S565-G568 PolarHBondContact OG-N 2.85Å; S565-G568 PolarHBondContact OG-O 2.99Å; S565-G568 VanDerWaalsContact OG-O 3.06Å |
| 569 | D | 73.1 | Confident | 81.1 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.2 | 174.7 | -69.1 | -60.6 | 0 | 0 | 0 | 111.7 | K564 | K564-D569 WeakPolarHBondContact CD-OD1 3.1Å; K564-D569 WeakPolarHBondContact CE-OD1 3.47Å; K564-D569 VanDerWaalsContact CG-OD1 3.3Å; K564-D569 WeakPolarHBondContact CG-OD1 3.1Å; K564-D569 VanDerWaalsContact NZ-CG 3.33Å; K564-D569 IonicContact NZ-OD1 2.67Å; K564-D569 PolarHBondContact NZ-OD1 3.47Å; K564-D569 IonicContact NZ-OD2 3.22Å; K564-D569 PolarHBondContact NZ-OD2 3.21Å |
| 570 | G | 74.3 | Confident | 80.9 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 9% | 0.093 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 168.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A563 | A563-G570 VanDerWaalsContact O-CA 3.26Å; A563-G570 WeakPolarHBondContact O-CA 3.26Å; A563-G570 PolarHBondContact O-N 2.79Å |
| 571 | L | 77.8 | Confident | 80.5 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 45% | 0.445 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 140 | 179.2 | -63.8 | 175.2 | 0 | 0 | 0 | 111.5 | ||
| 572 | F | 84.5 | Confident | 80.1 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 33% | 0.333 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 145.2 | 167.6 | -80.1 | -82.2 | 0 | 0 | 0 | 111.1 | V524 Q560 S562 | V524-F572 HydrophobicContact CB-CE1 4.46Å; V524-F572 HydrophobicContact CG1-CE1 4.5Å; Q560-F572 HydrophobicContact CB-CD1 4.29Å; S562-F572 WeakPolarHBondContact OG-CE1 3.29Å |
| 573 | S | 83.9 | Confident | 79.8 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 166.5 | 165.8 | 78 | 0 | 0 | 0 | 0 | 111.4 | Q560 V561 | Q560-S573 WeakPolarHBondContact CA-OG 3.32Å; Q560-S573 PolarHBondContact NE2-O 2.66Å; V561-S573 PolarHBondContact N-OG 3.11Å; V561-S573 WeakPolarHBondContact O-CB 3.45Å; V561-S573 PolarHBondContact O-N 3.37Å |
| 574 | R | 76.7 | Confident | 79.6 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 36% | 0.362 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 151.1 | 165.4 | -71.3 | 147.8 | 161.5 | -78.6 | -3.2 | 111.4 | E480 P481 V576 | E480-R574 IonicContact OE1-NH1 3.46Å; E480-R574 IonicContact OE2-CZ 2.7Å; E480-R574 IonicContact OE2-NH1 3.9Å; E480-R574 PolarHBondContact OE2-NH1 2.78Å; E480-R574 IonicContact OE2-NH2 2.6Å; E480-R574 PolarHBondContact OE2-NH2 2.82Å; P481-R574 VanDerWaalsContact CG-NH2 3.32Å; P481-R574 VanDerWaalsContact N-NH2 3.13Å; P481-R574 PolarHBondContact O-NH2 2.93Å; R574-V576 PolarHBondContact O-N 2.65Å |
| 575 | P | 82.4 | Confident | 79.8 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | trans | -62.2 | 115.4 | 164.6 | -16.7 | 30.1 | 0 | 0 | 0 | 110.1 | T558 F559 Q560 | T558-P575 HydrophobicContact CG2-CB 3.52Å; F559-P575 CarbonylContact O-C 3.53Å; F559-P575 WeakPolarHBondContact O-CA 3.29Å; Q560-P575 HydrophobicContact CG-CB 4.2Å; Q560-P575 HydrophobicContact CG-CG 4.22Å | ||
| 576 | V | 84.5 | Confident | 80 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.4 | 173.1 | -179 | 0 | 0 | 0 | 0 | 107.5 | V497 A499 T558 F559 R574 | V497-V576 HydrophobicContact CB-CG2 4.13Å; V497-V576 HydrophobicContact CG1-CG2 3.92Å; V497-V576 WeakPolarHBondContact O-CG2 3.36Å; A499-V576 HydrophobicContact CB-CG1 4Å; T558-V576 CarbonylContact C-O 3.54Å; T558-V576 WeakPolarHBondContact CA-O 3.28Å; F559-V576 PolarHBondContact N-O 2.8Å; F559-V576 PolarHBondContact O-N 3.21Å; R574-V576 PolarHBondContact O-N 2.65Å |
| 577 | Q | 85.9 | Confident | 80.1 | Confident | 134 Ų | 134 | 57.8 Ų | 57.8 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.9 | 171.7 | -70.4 | -173.9 | 1 | 0 | 0 | 110.1 | Y557 T558 | Y557-Q577 CarbonylContact O-C 3.59Å; Y557-Q577 VanDerWaalsContact O-CA 3.3Å; Y557-Q577 WeakPolarHBondContact O-CA 3.5Å; T558-Q577 HydrophobicContact CG2-CG 3.98Å |
| 578 | Q | 86.6 | Confident | 80.8 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.3 | 172.9 | 179.6 | 58.9 | 34 | 0 | 0 | 111.1 | A499 M507 Y557 | A499-Q578 HydrophobicContact CB-CB 3.58Å; A499-Q578 HydrophobicContact CB-CG 4.25Å; A499-Q578 VanDerWaalsContact O-CG 3.3Å; A499-Q578 WeakPolarHBondContact O-CG 3.28Å; M507-Q578 HydrophobicContact CE-CB 3.88Å; M507-Q578 HydrophobicContact CE-CG 3.66Å; M507-Q578 HydrophobicContact SD-CB 3.92Å; M507-Q578 HydrophobicContact SD-CG 3.39Å; M507-Q578 WeakPolarHBondContact SD-CG 3.23Å; Y557-Q578 PolarHBondContact N-O 2.94Å; Y557-Q578 PolarHBondContact O-N 3.03Å |
| 579 | K | 85.7 | Confident | 81.7 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.9 | 173 | -160.1 | 175.1 | -151 | -154.3 | 0 | 110.8 | A501 N554 T555 N556 | A501-K579 WeakPolarHBondContact CB-O 3.22Å; N554-K579 WeakPolarHBondContact O-CE 3.43Å; N554-K579 VanDerWaalsContact OD1-CE 3.29Å; N554-K579 WeakPolarHBondContact OD1-CE 3.4Å; N554-K579 PolarHBondContact OD1-NZ 2.98Å; T555-K579 WeakPolarHBondContact O-CA 3.27Å; N556-K579 WeakPolarHBondContact OD1-CB 3.49Å; N556-K579 WeakPolarHBondContact OD1-CD 3.28Å; N556-K579 WeakPolarHBondContact OD1-CE 3.44Å; N556-K579 WeakPolarHBondContact OD1-CG 3.36Å |
| 580 | T | 83.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 157.4 | 169.3 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | A504 M507 L551 L552 N554 T555 Y557 | A504-T580 WeakPolarHBondContact O-CB 3.08Å; M507-T580 HydrophobicContact CE-CG2 3.9Å; L551-T580 HydrophobicContact CB-CG2 3.87Å; L551-T580 HydrophobicContact CD1-CG2 4.06Å; L552-T580 WeakPolarHBondContact O-CB 3.48Å; L552-T580 WeakPolarHBondContact O-CG2 3.12Å; L552-T580 PolarHBondContact O-OG1 3.2Å; N554-T580 PolarHBondContact N-OG1 2.67Å; T555-T580 PolarHBondContact N-OG1 2.79Å; T555-T580 PolarHBondContact O-N 2.98Å; T555-T580 PolarHBondContact O-OG1 3.24Å; Y557-T580 HydrophobicContact CD2-CG2 4.42Å; Y557-T580 HydrophobicContact CE2-CG2 4.49Å |
| 581 | N | 80.8 | Confident | 82.5 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 151.7 | -179.1 | -72.8 | -33 | 0 | 0 | 0 | 111.9 | A501 G503 A504 N554 | A501-N581 PolarHBondContact O-ND2 3.19Å; G503-N581 PolarHBondContact O-N 3.1Å; A504-N581 WeakPolarHBondContact CA-O 3.35Å; N554-N581 PolarHBondContact N-O 2.78Å |
| 582 | P | 80.6 | Confident | 82.8 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 160.4 | 165.7 | 30.8 | -35.7 | 0 | 0 | 0 | 111.1 | H615 K693 | P582-H615 WeakPolarHBondContact CA-O 3.03Å; P582-H615 WeakPolarHBondContact CB-O 3.41Å; P582-K693 HydrophobicContact CG-CG 4.31Å |
| 583 | S | 80.3 | Confident | 82.6 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 22% | 0.217 | 27% | 0.266 | C | S | . | . | trans | -123.1 | -177.4 | 169.8 | 68.6 | 0 | 0 | 0 | 0 | 111 | H615 T691 | S583-H615 PolarHBondContact N-O 3.34Å; S583-H615 VanDerWaalsContact OG-CB 3.24Å; S583-H615 WeakPolarHBondContact OG-CB 3.3Å; S583-H615 PolarHBondContact OG-ND1 3.33Å; S583-T691 PolarHBondContact O-OG1 2.85Å | ||
| 584 | A | 81.3 | Confident | 82.7 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -56.9 | 153.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 110 | G694 | A584-G694 WeakPolarHBondContact CB-O 3.22Š|
| 585 | P | 83.3 | Confident | 82.7 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | trans | -56.5 | 141 | 173.6 | -25.1 | 35.9 | 0 | 0 | 0 | 112 | G587 P609 Q613 Q614 I618 T691 G696 P697 | P585-G587 VanDerWaalsContact C-N 3.34Å; P585-G587 WeakPolarHBondContact CB-O 3.4Å; P585-P609 HydrophobicContact CB-CG 4.34Å; P585-Q613 CarbonylContact C-O 3.52Å; P585-Q613 VanDerWaalsContact CA-O 3.29Å; P585-Q613 WeakPolarHBondContact CA-O 3.44Å; P585-Q614 WeakPolarHBondContact CA-O 3.39Å; P585-I618 HydrophobicContact CG-CD1 3.55Å; P585-T691 HydrophobicContact CG-CG2 3.91Å; P585-G696 WeakPolarHBondContact O-CA 3.39Å; P585-P697 VanDerWaalsContact O-CD 3.28Å; P585-P697 WeakPolarHBondContact O-CD 3.28Å | ||
| 586 | S | 80.2 | Confident | 82.7 | Confident | 61 Ų | 61 | 45 Ų | 45 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -85.1 | -11 | 168.8 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | Q613 H615 | S586-Q613 PolarHBondContact N-O 2.85Å; S586-Q613 VanDerWaalsContact OG-CA 3.31Å; S586-Q613 WeakPolarHBondContact OG-CA 3.37Å; S586-Q613 PolarHBondContact OG-O 2.83Å; S586-Q613 VanDerWaalsContact OG-O 3.14Å; S586-H615 VanDerWaalsContact CB-CE1 3.42Å; S586-H615 WeakPolarHBondContact CB-CE1 3.4Å; S586-H615 PolarHBondContact OG-CD2 2.94Å; S586-H615 PolarHBondContact OG-CE1 3.38Å; S586-H615 PolarHBondContact OG-NE2 3.09Å |
| 587 | G | 76.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -120.2 | 149.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P585 P609 Q613 | P585-G587 VanDerWaalsContact C-N 3.34Å; P585-G587 WeakPolarHBondContact CB-O 3.4Å; G587-P609 WeakPolarHBondContact O-CB 3.4Å; G587-P609 VanDerWaalsContact O-CG 3.28Å; G587-P609 WeakPolarHBondContact O-CG 3.49Å; G587-Q613 VanDerWaalsContact CA-OE1 3.29Å |
| 588 | P | 86.9 | Confident | 81.7 | Confident | 41 Ų | 41 | 42.1 Ų | 42.1 | 27% | 0.266 | 25% | 0.252 | S | S | . | . | trans | -83.8 | 170.6 | 179.2 | 35.6 | -36.2 | 0 | 0 | 0 | 112 | P609 P697 R698 | P588-P609 WeakPolarHBondContact O-CA 3.4Å; P588-P609 WeakPolarHBondContact O-CB 3.31Å; P588-P609 WeakPolarHBondContact O-CG 3.16Å; P588-P697 WeakPolarHBondContact CA-O 3.39Å; P588-P697 HydrophobicContact CB-CG 4.19Å; P588-P697 WeakPolarHBondContact CB-O 3.49Å; P588-R698 WeakPolarHBondContact CB-O 3.35Å | ||
| 589 | P | 86.8 | Confident | 81.3 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | trans | -49.7 | 133.4 | 156.3 | -29.2 | 39.7 | 0 | 0 | 0 | 111.9 | V592 W606 E607 Y621 V687 A689 | P589-V592 HydrophobicContact CB-CG2 4.32Å; P589-W606 HydrophobicContact CB-CB 4.44Å; P589-E607 VanDerWaalsContact CA-O 3.22Å; P589-E607 WeakPolarHBondContact CA-O 3.47Å; P589-E607 VanDerWaalsContact CB-O 3.23Å; P589-E607 WeakPolarHBondContact CB-O 3.38Å; P589-Y621 HydrophobicContact CG-CD1 4.5Å; P589-V687 HydrophobicContact CB-CB 4.11Å; P589-V687 HydrophobicContact CB-CG1 4.29Å; P589-V687 VanDerWaalsContact CD-O 3.23Å; P589-V687 WeakPolarHBondContact CD-O 3.41Å; P589-V687 HydrophobicContact CG-CB 3.98Å; P589-V687 HydrophobicContact CG-CG1 3.9Å; P589-V687 VanDerWaalsContact CG-O 3.3Å; P589-V687 WeakPolarHBondContact CG-O 3.2Å; P589-A689 HydrophobicContact CG-CB 3.99Å | ||
| 590 | E | 82.4 | Confident | 81.1 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | trans | -93 | -177.3 | 171.6 | -58.2 | 177.6 | 117.1 | 0 | 0 | 109 | V592 E607 P610 H1221 | E590-V592 VanDerWaalsContact C-N 3.3Å; E590-V592 PolarHBondContact O-N 2.79Å; E590-E607 HydrophobicContact CB-CB 3.8Å; E590-E607 HydrophobicContact CB-CG 4.2Å; E590-E607 VanDerWaalsContact CB-OE1 3.23Å; E590-E607 WeakPolarHBondContact CB-OE1 3.47Å; E590-E607 PolarHBondContact N-O 3.1Å; E590-E607 WeakPolarHBondContact O-CB 3.4Å; E590-E607 PolarHBondContact O-N 3.27Å; E590-P610 WeakPolarHBondContact OE2-CG 3.25Å; E590-H1221 IonicContact OE1-CD2 2.72Å; E590-H1221 IonicContact OE1-CE1 2.68Å; E590-H1221 IonicContact OE1-NE2 3.47Å; E590-H1221 PolarHBondContact OE1-NE2 3.04Å; E590-H1221 IonicContact OE2-CD2 3.62Å; E590-H1221 IonicContact OE2-NE2 3.67Å; E590-H1221 PolarHBondContact OE2-NE2 3.21Å | ||
| 591 | G | 80.8 | Confident | 81 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 38% | 0.381 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 52.1 | 29.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | V593 E607 | G591-V593 PolarHBondContact O-N 3.07Å; G591-E607 WeakPolarHBondContact CA-OE1 3.41Å; G591-E607 PolarHBondContact N-OE1 3.43Å |
| 592 | V | 84.2 | Confident | 81.3 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | trans | -74.3 | 119.9 | -175.8 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | P589 E590 V604 I605 W606 V687 V702 | P589-V592 HydrophobicContact CB-CG2 4.32Å; E590-V592 VanDerWaalsContact C-N 3.3Å; E590-V592 PolarHBondContact O-N 2.79Å; V592-V604 HydrophobicContact CG1-CG1 4.13Å; V592-I605 CarbonylContact C-O 3.57Å; V592-I605 VanDerWaalsContact CA-O 3.27Å; V592-I605 WeakPolarHBondContact CA-O 3.39Å; V592-W606 HydrophobicContact CG2-CB 3.9Å; V592-V687 HydrophobicContact CG1-CG2 3.82Å; V592-V687 HydrophobicContact CG2-CB 4.43Å; V592-V687 HydrophobicContact CG2-CG2 4.11Å; V592-V702 HydrophobicContact CB-CG2 3.95Å; V592-V702 HydrophobicContact CG1-CG2 3.78Å; V592-V702 WeakPolarHBondContact O-CG2 3.36Å | ||
| 593 | V | 81.1 | Confident | 81.6 | Confident | 79 Ų | 79 | 41.1 Ų | 41.1 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.7 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 110 | G591 V604 I605 | G591-V593 PolarHBondContact O-N 3.07Å; V593-V604 CarbonylContact O-C 3.58Å; V593-V604 WeakPolarHBondContact O-CA 2.93Å; V593-I605 HydrophobicContact CB-CB 4.5Å; V593-I605 PolarHBondContact N-O 2.9Å; V593-I605 PolarHBondContact O-N 3.31Å |
| 594 | V | 85.8 | Confident | 82 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.9 | 178.5 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | L602 K603 V604 I685 V702 A704 | V594-L602 HydrophobicContact CG1-CB 3.95Å; V594-L602 HydrophobicContact CG1-CD1 4.21Å; V594-L602 HydrophobicContact CG1-CD2 4.45Å; V594-L602 HydrophobicContact CG1-CG 4.43Å; V594-K603 CarbonylContact C-O 3.49Å; V594-K603 VanDerWaalsContact CA-O 3.29Å; V594-K603 WeakPolarHBondContact CA-O 3.43Å; V594-V604 HydrophobicContact CG1-CG2 4.41Å; V594-V604 HydrophobicContact CG2-CB 4.48Å; V594-V604 HydrophobicContact CG2-CG1 4.13Å; V594-V604 HydrophobicContact CG2-CG2 4.18Å; V594-I685 HydrophobicContact CG1-CD1 4.29Å; V594-I685 HydrophobicContact CG2-CB 4.08Å; V594-I685 HydrophobicContact CG2-CD1 4.36Å; V594-I685 HydrophobicContact CG2-CG1 4.26Å; V594-I685 HydrophobicContact CG2-CG2 4.12Å; V594-V702 HydrophobicContact CB-CG1 4.1Å; V594-V702 HydrophobicContact CG2-CB 4.04Å; V594-V702 HydrophobicContact CG2-CG1 3.72Å; V594-A704 HydrophobicContact CB-CB 3.85Å; V594-A704 HydrophobicContact CG1-CB 3.49Å; V594-A704 VanDerWaalsContact CG1-CB 3.49Å |
| 595 | E | 76.8 | Confident | 82.3 | Confident | 76 Ų | 76 | 40.3 Ų | 40.3 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.8 | 177 | -65.7 | 166.5 | -155.9 | 0 | 0 | 111.1 | L602 K603 | E595-L602 CarbonylContact O-C 3.59Å; E595-L602 VanDerWaalsContact O-CA 3.31Å; E595-L602 WeakPolarHBondContact O-CA 3.34Å; E595-K603 HydrophobicContact CB-CB 4.31Å; E595-K603 PolarHBondContact N-O 2.78Å; E595-K603 PolarHBondContact O-N 3.26Å; E595-K603 IonicContact OE1-NZ 2.78Å; E595-K603 PolarHBondContact OE1-NZ 3.47Å; E595-K603 WeakPolarHBondContact OE2-CD 3.45Å; E595-K603 IonicContact OE2-NZ 3.04Å; E595-K603 PolarHBondContact OE2-NZ 2.85Å |
| 596 | A | 81.5 | Confident | 82.7 | Confident | 45 Ų | 45 | 40 Ų | 40 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 102.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L602 Q705 N707 | A596-L602 HydrophobicContact CB-CD2 3.76Å; A596-Q705 WeakPolarHBondContact CB-O 3.44Å; A596-N707 PolarHBondContact O-ND2 3.22Å |
| 597 | L | 74.3 | Confident | 82.9 | Confident | 88 Ų | 88 | 37.9 Ų | 37.9 | 46% | 0.461 | 21% | 0.214 | S | C | . | . | trans | -79.8 | -36 | -175.2 | -60.3 | -173.7 | 0 | 0 | 0 | 113.2 | E601 K603 T673 | L597-E601 HydrophobicContact CB-CB 4.13Å; L597-E601 PolarHBondContact N-O 3.24Å; L597-K603 HydrophobicContact CD1-CB 3.92Å; L597-K603 HydrophobicContact CD2-CB 4.21Å; L597-K603 HydrophobicContact CG-CB 3.99Å; L597-T673 HydrophobicContact CD1-CG2 3.84Å | ||
| 598 | S | 75.5 | Confident | 83.3 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -153 | -174.9 | -179.4 | 81.3 | 0 | 0 | 0 | 0 | 110.9 | H600 E601 N707 | S598-H600 PolarHBondContact O-N 2.74Å; S598-H600 PolarHBondContact OG-N 3.18Å; S598-H600 VanDerWaalsContact OG-N 3.11Å; S598-E601 WeakPolarHBondContact CB-OE2 3.47Å; S598-E601 PolarHBondContact N-O 2.77Å; S598-E601 WeakPolarHBondContact OG-CB 3.14Å; S598-E601 WeakPolarHBondContact OG-CG 3.29Å; S598-E601 PolarHBondContact OG-N 3.5Å; S598-E601 PolarHBondContact OG-OE2 2.76Å; S598-N707 PolarHBondContact N-ND2 2.85Å; S598-N707 PolarHBondContact O-N 3.36Å; S598-N707 PolarHBondContact O-ND2 2.88Å; S598-N707 VanDerWaalsContact O-ND2 3.13Å |
| 599 | P | 79.2 | Confident | 83.2 | Confident | 27 Ų | 27 | 36.2 Ų | 36.2 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -66.9 | -12.4 | 170 | -21.9 | 35.4 | 0 | 0 | 0 | 114.1 | K678 P679 T706 N707 D709 | P599-K678 CarbonylContact O-C 3.54Å; P599-P679 HydrophobicContact CB-CB 4.09Å; P599-P679 HydrophobicContact CB-CG 4.18Å; P599-P679 VanDerWaalsContact O-CA 3.31Å; P599-P679 WeakPolarHBondContact O-CA 3.48Å; P599-T706 VanDerWaalsContact O-CB 3.3Å; P599-T706 WeakPolarHBondContact O-CB 3.38Å; P599-N707 WeakPolarHBondContact CA-O 3.44Å; P599-N707 WeakPolarHBondContact CB-O 3.42Å; P599-N707 HydrophobicContact CG-CB 4.29Å; P599-D709 HydrophobicContact CB-CB 3.9Å; P599-D709 HydrophobicContact CG-CB 4.06Å |
| 600 | H | 80.8 | Confident | 82.7 | Confident | 83 Ų | 83 | 36.2 Ų | 36.2 | 38% | 0.384 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -124.4 | -0.9 | -175.2 | -57.7 | -68.5 | 0 | 0 | 0 | 114.1 | S598 G675 N676 L677 P679 | S598-H600 PolarHBondContact O-N 2.74Å; S598-H600 PolarHBondContact OG-N 3.18Å; S598-H600 VanDerWaalsContact OG-N 3.11Å; H600-G675 CarbonylContact O-C 3.55Å; H600-G675 WeakPolarHBondContact O-CA 3.28Å; H600-N676 PolarHBondContact O-N 2.92Å; H600-L677 WeakPolarHBondContact CA-O 3.31Å; H600-L677 PolarHBondContact ND1-O 2.93Å; H600-L677 WeakPolarHBondContact O-CB 3.05Å; H600-L677 PolarHBondContact O-N 2.8Å; H600-P679 VanDerWaalsContact CE1-CG 3.49Å; H600-P679 WeakPolarHBondContact CE1-CG 3.49Å |
| 601 | E | 82.4 | Confident | 82.4 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 34% | 0.341 | 23% | 0.225 | S | C | . | . | trans | -136 | 134.9 | -169.7 | -63.9 | 158.7 | 122.8 | 0 | 0 | 112.9 | L597 S598 T673 I674 | L597-E601 HydrophobicContact CB-CB 4.13Å; L597-E601 PolarHBondContact N-O 3.24Å; S598-E601 WeakPolarHBondContact CB-OE2 3.47Å; S598-E601 PolarHBondContact N-O 2.77Å; S598-E601 WeakPolarHBondContact OG-CB 3.14Å; S598-E601 WeakPolarHBondContact OG-CG 3.29Å; S598-E601 PolarHBondContact OG-N 3.5Å; S598-E601 PolarHBondContact OG-OE2 2.76Å; E601-T673 HydrophobicContact CB-CG2 4.42Å; E601-I674 CarbonylContact C-O 3.51Å; E601-I674 WeakPolarHBondContact CA-O 3.38Å | ||
| 602 | L | 86.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.9 | 173.6 | -62.5 | 178.6 | 0 | 0 | 0 | 110.1 | V594 E595 A596 T673 I674 L677 I685 A704 T706 | V594-L602 HydrophobicContact CG1-CB 3.95Å; V594-L602 HydrophobicContact CG1-CD1 4.21Å; V594-L602 HydrophobicContact CG1-CD2 4.45Å; V594-L602 HydrophobicContact CG1-CG 4.43Å; E595-L602 CarbonylContact O-C 3.59Å; E595-L602 VanDerWaalsContact O-CA 3.31Å; E595-L602 WeakPolarHBondContact O-CA 3.34Å; A596-L602 HydrophobicContact CB-CD2 3.76Å; L602-T673 CarbonylContact O-C 3.59Å; L602-T673 WeakPolarHBondContact O-CA 3.24Å; L602-I674 PolarHBondContact N-O 2.89Å; L602-I674 PolarHBondContact O-N 2.89Å; L602-L677 HydrophobicContact CB-CD1 3.99Å; L602-L677 HydrophobicContact CD1-CD1 3.65Å; L602-L677 HydrophobicContact CG-CD1 3.53Å; L602-I685 HydrophobicContact CD1-CD1 3.93Å; L602-A704 HydrophobicContact CD1-CB 4.1Å; L602-A704 HydrophobicContact CD2-CB 4.43Å; L602-T706 HydrophobicContact CD1-CG2 4.5Å; L602-T706 HydrophobicContact CD2-CG2 4.08Å; L602-T706 HydrophobicContact CG-CG2 4.12Å |
| 603 | K | 87.6 | Confident | 81.7 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.9 | 174.8 | 158.5 | 170.1 | 168.2 | -96.8 | 0 | 110 | V594 E595 L597 I605 | V594-K603 CarbonylContact C-O 3.49Å; V594-K603 VanDerWaalsContact CA-O 3.29Å; V594-K603 WeakPolarHBondContact CA-O 3.43Å; E595-K603 HydrophobicContact CB-CB 4.31Å; E595-K603 PolarHBondContact N-O 2.78Å; E595-K603 PolarHBondContact O-N 3.26Å; E595-K603 IonicContact OE1-NZ 2.78Å; E595-K603 PolarHBondContact OE1-NZ 3.47Å; E595-K603 WeakPolarHBondContact OE2-CD 3.45Å; E595-K603 IonicContact OE2-NZ 3.04Å; E595-K603 PolarHBondContact OE2-NZ 2.85Å; L597-K603 HydrophobicContact CD1-CB 3.92Å; L597-K603 HydrophobicContact CD2-CB 4.21Å; L597-K603 HydrophobicContact CG-CB 3.99Å; K603-I605 HydrophobicContact CG-CG1 4.39Å |
| 604 | V | 89 | Confident | 81.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.2 | -178.6 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | V592 V593 V594 W606 V623 S671 V672 I674 I685 V687 | V592-V604 HydrophobicContact CG1-CG1 4.13Å; V593-V604 CarbonylContact O-C 3.58Å; V593-V604 WeakPolarHBondContact O-CA 2.93Å; V594-V604 HydrophobicContact CG1-CG2 4.41Å; V594-V604 HydrophobicContact CG2-CB 4.48Å; V594-V604 HydrophobicContact CG2-CG1 4.13Å; V594-V604 HydrophobicContact CG2-CG2 4.18Å; V604-W606 HydrophobicContact CB-CE3 4.45Å; V604-W606 HydrophobicContact CB-CZ3 4.28Å; V604-W606 HydrophobicContact CG1-CE3 3.99Å; V604-W606 HydrophobicContact CG1-CZ3 4.24Å; V604-V623 HydrophobicContact CB-CG1 4.37Å; V604-V623 HydrophobicContact CG1-CG1 4.14Å; V604-V623 HydrophobicContact CG2-CG1 4.13Å; V604-S671 CarbonylContact O-C 3.58Å; V604-S671 WeakPolarHBondContact O-CA 2.83Å; V604-S671 WeakPolarHBondContact O-CB 3.4Å; V604-V672 HydrophobicContact CB-CG1 4.36Å; V604-V672 PolarHBondContact N-O 2.82Å; V604-V672 PolarHBondContact O-N 2.61Å; V604-I674 HydrophobicContact CG2-CD1 3.61Å; V604-I674 HydrophobicContact CG2-CG1 4.25Å; V604-I685 HydrophobicContact CG1-CG2 3.86Å; V604-I685 HydrophobicContact CG2-CG2 3.82Å; V604-V687 HydrophobicContact CG1-CG2 4.07Å |
| 605 | I | 87.7 | Confident | 81.2 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.8 | -179.9 | -46.8 | 176.4 | 0 | 0 | 0 | 108.3 | V592 V593 K603 R670 | V592-I605 CarbonylContact C-O 3.57Å; V592-I605 VanDerWaalsContact CA-O 3.27Å; V592-I605 WeakPolarHBondContact CA-O 3.39Å; V593-I605 HydrophobicContact CB-CB 4.5Å; V593-I605 PolarHBondContact N-O 2.9Å; V593-I605 PolarHBondContact O-N 3.31Å; K603-I605 HydrophobicContact CG-CG1 4.39Å; I605-R670 CarbonylContact C-O 3.59Å; I605-R670 WeakPolarHBondContact CA-O 3.31Å |
| 606 | W | 90.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -161.6 | 162.8 | -176.7 | 62.1 | 88.2 | 0 | 0 | 0 | 116.5 | P589 V592 V604 Y621 V623 Q664 R670 S671 V672 V687 | P589-W606 HydrophobicContact CB-CB 4.44Å; V592-W606 HydrophobicContact CG2-CB 3.9Å; V604-W606 HydrophobicContact CB-CE3 4.45Å; V604-W606 HydrophobicContact CB-CZ3 4.28Å; V604-W606 HydrophobicContact CG1-CE3 3.99Å; V604-W606 HydrophobicContact CG1-CZ3 4.24Å; W606-Y621 AromaticContact CD1-CD1 3.7Å; W606-Y621 AromaticContact CD1-CE1 3.8Å; W606-Y621 AromaticContact CE2-CD2 3.83Å; W606-Y621 AromaticContact CE2-CG 3.74Å; W606-Y621 AromaticContact CZ2-CD2 3.81Å; W606-Y621 HydrophobicContact CZ2-CD2 3.81Å; W606-Y621 AromaticContact CZ2-CG 3.96Å; W606-Y621 HydrophobicContact CZ2-CG 3.96Å; W606-Y621 AromaticContact NE1-CD1 3.19Å; W606-Y621 AromaticContact NE1-CD2 3.25Å; W606-Y621 AromaticContact NE1-CE1 3.47Å; W606-Y621 AromaticContact NE1-CE2 3.52Å; W606-Y621 AromaticContact NE1-CG 3.08Å; W606-Y621 AromaticContact NE1-CZ 3.64Å; W606-V623 HydrophobicContact CE3-CG2 4.15Å; W606-V623 HydrophobicContact CH2-CG2 3.66Å; W606-V623 HydrophobicContact CZ2-CG2 4.33Å; W606-V623 HydrophobicContact CZ3-CG2 3.55Å; W606-Q664 HydrophobicContact CH2-CB 4.21Å; W606-Q664 HydrophobicContact CH2-CG 4.19Å; W606-Q664 HydrophobicContact CZ2-CB 4.07Å; W606-Q664 HydrophobicContact CZ2-CG 3.99Å; W606-R670 PolarHBondContact N-O 2.89Å; W606-R670 WeakPolarHBondContact O-CB 3.33Å; W606-R670 VanDerWaalsContact O-CD 3.27Å; W606-R670 WeakPolarHBondContact O-CD 3.19Å; W606-S671 VanDerWaalsContact CZ3-CA 3.45Å; W606-V672 HydrophobicContact CH2-CB 4.14Å; W606-V672 HydrophobicContact CH2-CG1 4.15Å; W606-V672 HydrophobicContact CZ3-CB 4.29Å; W606-V672 HydrophobicContact CZ3-CG1 4Å; W606-V687 HydrophobicContact CB-CG2 4.26Å; W606-V687 HydrophobicContact CD2-CG1 3.91Å; W606-V687 HydrophobicContact CD2-CG2 4.24Å; W606-V687 HydrophobicContact CE3-CG1 4.41Å; W606-V687 HydrophobicContact CE3-CG2 4.12Å; W606-V687 HydrophobicContact CG-CB 4.48Å; W606-V687 HydrophobicContact CG-CG1 3.96Å; W606-V687 HydrophobicContact CG-CG2 4.32Å | ||
| 607 | E | 84.8 | Confident | 81.3 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -92.5 | 159.3 | 169.4 | -65.4 | -178.7 | -102.1 | 0 | 0 | 113.4 | P589 E590 G591 E1218 R1219 | P589-E607 VanDerWaalsContact CA-O 3.22Å; P589-E607 WeakPolarHBondContact CA-O 3.47Å; P589-E607 VanDerWaalsContact CB-O 3.23Å; P589-E607 WeakPolarHBondContact CB-O 3.38Å; E590-E607 HydrophobicContact CB-CB 3.8Å; E590-E607 HydrophobicContact CB-CG 4.2Å; E590-E607 VanDerWaalsContact CB-OE1 3.23Å; E590-E607 WeakPolarHBondContact CB-OE1 3.47Å; E590-E607 PolarHBondContact N-O 3.1Å; E590-E607 WeakPolarHBondContact O-CB 3.4Å; E590-E607 PolarHBondContact O-N 3.27Å; G591-E607 WeakPolarHBondContact CA-OE1 3.41Å; G591-E607 PolarHBondContact N-OE1 3.43Å; E607-E1218 HydrophobicContact CG-CB 3.67Å; E607-E1218 VanDerWaalsContact CG-CD 3.48Å; E607-E1218 HydrophobicContact CG-CG 3.45Å; E607-E1218 VanDerWaalsContact CG-CG 3.45Å; E607-E1218 WeakPolarHBondContact OE2-CA 3.34Å; E607-E1218 WeakPolarHBondContact OE2-CB 3.4Å; E607-R1219 WeakPolarHBondContact OE2-CG 3.38Å; E607-R1219 PolarHBondContact OE2-N 3.4Å |
| 608 | P | 85.6 | Confident | 81.8 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 5% | 0.045 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 148.1 | 163.1 | 9.9 | 7.6 | 0 | 0 | 0 | 112 | Y621 R1219 | P608-Y621 HydrophobicContact CB-CE1 4.05Å; P608-Y621 VanDerWaalsContact CB-OH 3.28Å; P608-Y621 WeakPolarHBondContact CB-OH 3.5Å; P608-Y621 WeakPolarHBondContact CG-OH 3.13Å; P608-R1219 VanDerWaalsContact C-NH2 3.32Å; P608-R1219 VanDerWaalsContact CB-NH2 3.31Å; P608-R1219 VanDerWaalsContact O-CZ 3.27Å; P608-R1219 PolarHBondContact O-NE 3.01Å; P608-R1219 PolarHBondContact O-NH2 2.7Å |
| 609 | P | 84.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -52.5 | 162.9 | -173.9 | -22.7 | 24 | 0 | 0 | 0 | 116.5 | P585 G587 P588 Q614 I618 A689 R1219 | P585-P609 HydrophobicContact CB-CG 4.34Å; G587-P609 WeakPolarHBondContact O-CB 3.4Å; G587-P609 VanDerWaalsContact O-CG 3.28Å; G587-P609 WeakPolarHBondContact O-CG 3.49Å; P588-P609 WeakPolarHBondContact O-CA 3.4Å; P588-P609 WeakPolarHBondContact O-CB 3.31Å; P588-P609 WeakPolarHBondContact O-CG 3.16Å; P609-Q614 HydrophobicContact CB-CG 4.21Å; P609-Q614 WeakPolarHBondContact O-CG 3.49Å; P609-Q614 PolarHBondContact O-NE2 2.84Å; P609-I618 HydrophobicContact CG-CD1 4.47Å; P609-A689 VanDerWaalsContact CD-CB 3.45Å; P609-A689 HydrophobicContact CG-CB 3.52Å; P609-R1219 PolarHBondContact O-NH2 2.62Å |
| 610 | P | 77.2 | Confident | 82.6 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 142.1 | 175.4 | -26.7 | 35.9 | 0 | 0 | 0 | 113.4 | E590 N612 Q613 Q614 H1221 | E590-P610 WeakPolarHBondContact OE2-CG 3.25Å; P610-N612 VanDerWaalsContact C-N 3.29Å; P610-N612 VanDerWaalsContact CB-OD1 3.26Å; P610-N612 WeakPolarHBondContact CB-OD1 3.34Å; P610-N612 PolarHBondContact O-N 2.95Å; P610-Q613 HydrophobicContact CB-CB 4.21Å; P610-Q613 HydrophobicContact CB-CG 4.32Å; P610-Q613 CarbonylContact O-C 3.59Å; P610-Q613 WeakPolarHBondContact O-CA 3.34Å; P610-Q613 PolarHBondContact O-N 2.85Å; P610-Q614 WeakPolarHBondContact O-CG 3.45Å; P610-Q614 PolarHBondContact O-N 2.86Å; P610-H1221 WeakPolarHBondContact CG-NE2 3.14Å |
| 611 | K | 76.3 | Confident | 83 | Confident | 161 Ų | 161 | 41.8 Ų | 41.8 | 70% | 0.7 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -36.8 | -174.5 | -81.5 | -176 | 176.8 | 175 | 0 | 114.4 | Q613 | K611-Q613 VanDerWaalsContact C-N 3.31Š|
| 612 | N | 73.3 | Confident | 83.4 | Confident | 119 Ų | 119 | 40.1 Ų | 40.1 | 64% | 0.636 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.6 | 174.7 | 58 | -27.5 | 0 | 0 | 0 | 113 | P610 H615 | P610-N612 VanDerWaalsContact C-N 3.29Å; P610-N612 VanDerWaalsContact CB-OD1 3.26Å; P610-N612 WeakPolarHBondContact CB-OD1 3.34Å; P610-N612 PolarHBondContact O-N 2.95Å; N612-H615 PolarHBondContact O-CD2 2.66Å |
| 613 | Q | 77.5 | Confident | 83.5 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -14.2 | -179.1 | -67.9 | -179.1 | -11.4 | 0 | 0 | 114.1 | P585 S586 G587 P610 K611 H615 | P585-Q613 CarbonylContact C-O 3.52Å; P585-Q613 VanDerWaalsContact CA-O 3.29Å; P585-Q613 WeakPolarHBondContact CA-O 3.44Å; S586-Q613 PolarHBondContact N-O 2.85Å; S586-Q613 VanDerWaalsContact OG-CA 3.31Å; S586-Q613 WeakPolarHBondContact OG-CA 3.37Å; S586-Q613 PolarHBondContact OG-O 2.83Å; S586-Q613 VanDerWaalsContact OG-O 3.14Å; G587-Q613 VanDerWaalsContact CA-OE1 3.29Å; P610-Q613 HydrophobicContact CB-CB 4.21Å; P610-Q613 HydrophobicContact CB-CG 4.32Å; P610-Q613 CarbonylContact O-C 3.59Å; P610-Q613 WeakPolarHBondContact O-CA 3.34Å; P610-Q613 PolarHBondContact O-N 2.85Å; K611-Q613 VanDerWaalsContact C-N 3.31Å; Q613-H615 PolarHBondContact O-N 3.04Å |
| 614 | Q | 79.1 | Confident | 83.7 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 15% | 0.15 | 20% | 0.198 | C | C | . | . | trans | -59.8 | -32.3 | 176.9 | -75.3 | 163.7 | 22.7 | 0 | 0 | 113.3 | P585 P609 P610 G616 I618 T691 | P585-Q614 WeakPolarHBondContact CA-O 3.39Å; P609-Q614 HydrophobicContact CB-CG 4.21Å; P609-Q614 WeakPolarHBondContact O-CG 3.49Å; P609-Q614 PolarHBondContact O-NE2 2.84Å; P610-Q614 WeakPolarHBondContact O-CG 3.45Å; P610-Q614 PolarHBondContact O-N 2.86Å; Q614-G616 PolarHBondContact O-N 3.48Å; Q614-I618 HydrophobicContact CB-CD1 4.29Å; Q614-I618 HydrophobicContact CG-CD1 4.1Å; Q614-I618 HydrophobicContact CG-CG1 4.12Å; Q614-T691 WeakPolarHBondContact O-CG2 3.47Å | ||
| 615 | H | 77.2 | Confident | 83.7 | Confident | 40 Ų | 40 | 40.2 Ų | 40.2 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | trans | 52 | 9.8 | -178.5 | -68.2 | -169.1 | 0 | 0 | 0 | 116.2 | P582 S583 S586 N612 Q613 | P582-H615 WeakPolarHBondContact CA-O 3.03Å; P582-H615 WeakPolarHBondContact CB-O 3.41Å; S583-H615 PolarHBondContact N-O 3.34Å; S583-H615 VanDerWaalsContact OG-CB 3.24Å; S583-H615 WeakPolarHBondContact OG-CB 3.3Å; S583-H615 PolarHBondContact OG-ND1 3.33Å; S586-H615 VanDerWaalsContact CB-CE1 3.42Å; S586-H615 WeakPolarHBondContact CB-CE1 3.4Å; S586-H615 PolarHBondContact OG-CD2 2.94Å; S586-H615 PolarHBondContact OG-CE1 3.38Å; S586-H615 PolarHBondContact OG-NE2 3.09Å; N612-H615 PolarHBondContact O-CD2 2.66Å; Q613-H615 PolarHBondContact O-N 3.04Å | ||
| 616 | G | 78.7 | Confident | 83.6 | Confident | 12 Ų | 12 | 41.9 Ų | 41.9 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 173.5 | -172.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q614 | Q614-G616 PolarHBondContact O-N 3.48Š|
| 617 | L | 81.9 | Confident | 83.1 | Confident | 149 Ų | 149 | 45.1 Ų | 45.1 | 78% | 0.78 | 23% | 0.228 | S | C | * | . | trans | -85.5 | 129.1 | 172 | -175.7 | 67.9 | 0 | 0 | 0 | 109.8 | S619 T691 | L617-S619 PolarHBondContact O-N 2.72Å; L617-T691 WeakPolarHBondContact O-CA 3.25Å; L617-T691 WeakPolarHBondContact O-CB 3.22Å; L617-T691 WeakPolarHBondContact O-CG2 3.26Å | ||
| 618 | I | 83.7 | Confident | 82.4 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.6 | 174.5 | -53.3 | -54 | 0 | 0 | 0 | 109 | P585 P609 Q614 Y621 A666 A689 G690 T691 | P585-I618 HydrophobicContact CG-CD1 3.55Å; P609-I618 HydrophobicContact CG-CD1 4.47Å; Q614-I618 HydrophobicContact CB-CD1 4.29Å; Q614-I618 HydrophobicContact CG-CD1 4.1Å; Q614-I618 HydrophobicContact CG-CG1 4.12Å; I618-Y621 HydrophobicContact CG2-CE1 4.02Å; I618-A666 HydrophobicContact CG2-CB 4.26Å; I618-A666 WeakPolarHBondContact O-CB 3.36Å; I618-A689 HydrophobicContact CD1-CB 4.16Å; I618-A689 HydrophobicContact CG2-CB 4.14Å; I618-G690 CarbonylContact C-O 3.48Å; I618-G690 WeakPolarHBondContact CA-O 3.38Å; I618-T691 HydrophobicContact CD1-CG2 4.01Å |
| 619 | S | 82.7 | Confident | 81 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | -26.9 | -179.6 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | L617 A666 G690 | L617-S619 PolarHBondContact O-N 2.72Å; S619-A666 WeakPolarHBondContact O-CB 3.3Å; S619-A666 PolarHBondContact O-N 3.19Å; S619-G690 PolarHBondContact N-O 3.3Å; S619-G690 PolarHBondContact OG-O 3.23Å |
| 620 | S | 88.5 | Confident | 79 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 166.3 | -177.2 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | Q664 G690 Y695 | S620-Q664 CarbonylContact C-O 3.5Å; S620-Q664 VanDerWaalsContact CA-O 3.29Å; S620-Q664 WeakPolarHBondContact CA-O 3.36Å; S620-Q664 WeakPolarHBondContact CB-O 3.27Å; S620-G690 PolarHBondContact N-O 2.98Å; S620-G690 PolarHBondContact O-N 2.87Å; S620-Y695 WeakPolarHBondContact OG-CE1 3.43Å; S620-Y695 PolarHBondContact OG-OH 3.48Å |
| 621 | Y | 90.2 | Very high | 77.1 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.9 | 163.3 | -48.4 | -87 | 0 | 0 | 0 | 109.4 | P589 W606 P608 I618 T663 Q664 A666 A688 A689 | P589-Y621 HydrophobicContact CG-CD1 4.5Å; W606-Y621 AromaticContact CD1-CD1 3.7Å; W606-Y621 AromaticContact CD1-CE1 3.8Å; W606-Y621 AromaticContact CE2-CD2 3.83Å; W606-Y621 AromaticContact CE2-CG 3.74Å; W606-Y621 AromaticContact CZ2-CD2 3.81Å; W606-Y621 HydrophobicContact CZ2-CD2 3.81Å; W606-Y621 AromaticContact CZ2-CG 3.96Å; W606-Y621 HydrophobicContact CZ2-CG 3.96Å; W606-Y621 AromaticContact NE1-CD1 3.19Å; W606-Y621 AromaticContact NE1-CD2 3.25Å; W606-Y621 AromaticContact NE1-CE1 3.47Å; W606-Y621 AromaticContact NE1-CE2 3.52Å; W606-Y621 AromaticContact NE1-CG 3.08Å; W606-Y621 AromaticContact NE1-CZ 3.64Å; P608-Y621 HydrophobicContact CB-CE1 4.05Å; P608-Y621 VanDerWaalsContact CB-OH 3.28Å; P608-Y621 WeakPolarHBondContact CB-OH 3.5Å; P608-Y621 WeakPolarHBondContact CG-OH 3.13Å; I618-Y621 HydrophobicContact CG2-CE1 4.02Å; Y621-T663 CarbonylContact O-C 3.57Å; Y621-T663 WeakPolarHBondContact O-CA 3.08Å; Y621-Q664 PolarHBondContact N-O 3.19Å; Y621-Q664 PolarHBondContact O-N 2.82Å; Y621-A666 HydrophobicContact CE2-CB 4.14Å; Y621-A688 CarbonylContact C-O 3.59Å; Y621-A688 WeakPolarHBondContact CA-O 3.38Å; Y621-A689 HydrophobicContact CD1-CB 3.93Å; Y621-A689 HydrophobicContact CE1-CB 4.1Å |
| 622 | Q | 89.3 | Confident | 74.9 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.1 | 169.7 | -169.4 | 173.6 | 6.3 | 0 | 0 | 108.6 | F624 S661 V662 V687 A688 Y695 | Q622-F624 HydrophobicContact CB-CE2 4Å; Q622-F624 HydrophobicContact CB-CZ 3.96Å; Q622-F624 VanDerWaalsContact CD-CE1 3.46Å; Q622-F624 HydrophobicContact CG-CD1 4.44Å; Q622-F624 HydrophobicContact CG-CE1 3.82Å; Q622-F624 HydrophobicContact CG-CE2 3.89Å; Q622-F624 HydrophobicContact CG-CZ 3.52Å; Q622-F624 WeakPolarHBondContact O-CD2 3.34Å; Q622-F624 WeakPolarHBondContact O-CE2 3.43Å; Q622-S661 PolarHBondContact NE2-OG 3.38Å; Q622-V662 WeakPolarHBondContact CA-O 3.43Å; Q622-V687 CarbonylContact O-C 3.5Å; Q622-V687 WeakPolarHBondContact O-CA 3.48Å; Q622-A688 PolarHBondContact N-O 3.24Å; Q622-A688 PolarHBondContact O-N 2.69Å; Q622-Y695 HydrophobicContact CB-CD1 4.18Å; Q622-Y695 HydrophobicContact CB-CE1 3.77Å; Q622-Y695 HydrophobicContact CB-CE2 4.49Å |
| 623 | V | 90.1 | Very high | 72.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.5 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | V604 W606 S661 V662 V672 I674 I685 T686 V687 | V604-V623 HydrophobicContact CB-CG1 4.37Å; V604-V623 HydrophobicContact CG1-CG1 4.14Å; V604-V623 HydrophobicContact CG2-CG1 4.13Å; W606-V623 HydrophobicContact CE3-CG2 4.15Å; W606-V623 HydrophobicContact CH2-CG2 3.66Å; W606-V623 HydrophobicContact CZ2-CG2 4.33Å; W606-V623 HydrophobicContact CZ3-CG2 3.55Å; V623-S661 CarbonylContact O-C 3.44Å; V623-S661 WeakPolarHBondContact O-CA 3.32Å; V623-S661 VanDerWaalsContact O-CB 3.27Å; V623-S661 WeakPolarHBondContact O-CB 3.31Å; V623-V662 HydrophobicContact CB-CG1 3.98Å; V623-V662 PolarHBondContact N-O 2.89Å; V623-V662 PolarHBondContact O-N 2.97Å; V623-V672 HydrophobicContact CB-CG1 4.22Å; V623-V672 HydrophobicContact CG1-CG1 4.36Å; V623-V672 HydrophobicContact CG2-CG1 3.82Å; V623-I674 HydrophobicContact CG1-CD1 4.09Å; V623-I685 HydrophobicContact CG1-CG2 3.92Å; V623-T686 CarbonylContact C-O 3.52Å; V623-T686 WeakPolarHBondContact CA-O 3.5Å; V623-V687 HydrophobicContact CG1-CG2 4.37Å; V623-V687 HydrophobicContact CG2-CG1 3.99Å; V623-V687 HydrophobicContact CG2-CG2 4.03Å |
| 624 | F | 90 | Very high | 70.7 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 148.3 | 177.2 | -50.2 | -97.5 | 0 | 0 | 0 | 109.8 | Q622 G660 S661 I685 T686 A688 R698 | Q622-F624 HydrophobicContact CB-CE2 4Å; Q622-F624 HydrophobicContact CB-CZ 3.96Å; Q622-F624 VanDerWaalsContact CD-CE1 3.46Å; Q622-F624 HydrophobicContact CG-CD1 4.44Å; Q622-F624 HydrophobicContact CG-CE1 3.82Å; Q622-F624 HydrophobicContact CG-CE2 3.89Å; Q622-F624 HydrophobicContact CG-CZ 3.52Å; Q622-F624 WeakPolarHBondContact O-CD2 3.34Å; Q622-F624 WeakPolarHBondContact O-CE2 3.43Å; F624-G660 WeakPolarHBondContact CA-O 3.36Å; F624-S661 VanDerWaalsContact CD1-CB 3.44Å; F624-I685 VanDerWaalsContact O-CA 3.31Å; F624-I685 WeakPolarHBondContact O-CA 3.43Å; F624-T686 PolarHBondContact N-O 3.18Å; F624-T686 PolarHBondContact O-N 2.83Å; F624-A688 HydrophobicContact CE2-CB 4.01Å; F624-R698 HydrophobicContact CD2-CG 4.1Å; F624-R698 VanDerWaalsContact CD2-NE 3.33Å; F624-R698 VanDerWaalsContact CE1-NH2 3.26Å; F624-R698 HydrophobicContact CE2-CG 3.95Å |
| 625 | W | 90.6 | Very high | 68.3 | Low | 31 Ų | 31 | 65.9 Ų | 65.9 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.9 | 169.6 | 61.7 | 98 | 0 | 0 | 0 | 111.1 | S659 G660 S661 V662 I674 L677 R684 I685 | W625-S659 CarbonylContact O-C 3.17Å; W625-S659 WeakPolarHBondContact O-CA 3.18Å; W625-S659 VanDerWaalsContact O-CB 3.26Å; W625-S659 WeakPolarHBondContact O-CB 3.04Å; W625-G660 PolarHBondContact N-O 3.43Å; W625-G660 PolarHBondContact O-N 2.82Å; W625-S661 VanDerWaalsContact CZ3-C 3.47Å; W625-S661 VanDerWaalsContact CZ3-CA 3.43Å; W625-V662 HydrophobicContact CH2-CB 4.43Å; W625-V662 HydrophobicContact CZ3-CB 4.13Å; W625-V662 HydrophobicContact CZ3-CG1 4Å; W625-I674 HydrophobicContact CB-CD1 4.37Å; W625-I674 HydrophobicContact CD2-CD1 4.04Å; W625-I674 HydrophobicContact CD2-CG2 3.69Å; W625-I674 HydrophobicContact CE3-CD1 3.58Å; W625-I674 HydrophobicContact CE3-CG1 3.97Å; W625-I674 HydrophobicContact CE3-CG2 3.91Å; W625-I674 HydrophobicContact CG-CD1 4.39Å; W625-I674 HydrophobicContact CG-CG2 4.26Å; W625-I674 HydrophobicContact CH2-CG2 4.02Å; W625-I674 HydrophobicContact CZ2-CG2 3.8Å; W625-I674 HydrophobicContact CZ3-CD1 4.19Å; W625-I674 HydrophobicContact CZ3-CG1 4.08Å; W625-I674 HydrophobicContact CZ3-CG2 4.06Å; W625-L677 HydrophobicContact CG-CD2 4.44Å; W625-R684 VanDerWaalsContact CA-O 3.3Å; W625-R684 WeakPolarHBondContact CA-O 3.32Å; W625-I685 HydrophobicContact CB-CG1 4.32Å |
| 626 | E | 84.9 | Confident | 65.9 | Low | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 166.3 | 176.9 | 59.7 | -166.4 | -144 | 0 | 0 | 109.5 | Y683 R684 | E626-Y683 CarbonylContact O-C 3.49Å; E626-Y683 VanDerWaalsContact O-CA 3.27Å; E626-Y683 WeakPolarHBondContact O-CA 3.46Å; E626-R684 HydrophobicContact CG-CB 3.91Å; E626-R684 HydrophobicContact CG-CG 4.39Å; E626-R684 PolarHBondContact N-O 2.86Å; E626-R684 PolarHBondContact O-N 2.77Å; E626-R684 WeakPolarHBondContact OE1-CD 3.42Å |
| 627 | L | 80.1 | Confident | 63.5 | Low | 68 Ų | 68 | 75.3 Ų | 75.3 | 36% | 0.356 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 140.4 | 176.2 | -68.9 | 178.6 | 0 | 0 | 0 | 111.5 | S629 L658 T681 Y683 | L627-S629 PolarHBondContact O-N 3.28Å; L627-L658 HydrophobicContact CD1-CD2 3.93Å; L627-L658 PolarHBondContact N-O 2.92Å; L627-T681 HydrophobicContact CD2-CG2 3.37Å; L627-Y683 HydrophobicContact CD2-CD1 4.28Å; L627-Y683 HydrophobicContact CD2-CE1 3.86Å |
| 628 | A | 69.5 | Low | 60.9 | Low | 9 Ų | 9 | 76.4 Ų | 76.4 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -69.5 | -34.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q682 R684 I703 | A628-Q682 HydrophobicContact CB-CB 3.65Å; A628-Q682 WeakPolarHBondContact CB-O 3.47Å; A628-Q682 PolarHBondContact N-O 2.77Å; A628-R684 PolarHBondContact O-NH2 3.38Å; A628-I703 HydrophobicContact CB-CD1 4.46Å; A628-I703 HydrophobicContact CB-CG1 4.46Å; A628-I703 HydrophobicContact CB-CG2 3.92Å |
| 629 | S | 56.4 | Low | 58.3 | Low | 90 Ų | 90 | 82.5 Ų | 82.5 | 63% | 0.629 | 46% | 0.46 | S | S | * | . | trans | -164.3 | 131.9 | 177.4 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | L627 | L627-S629 PolarHBondContact O-N 3.28Š| ||
| 630 | T | 41.8 | Very low | 55.8 | Low | 103 Ų | 103 | 86.9 Ų | 86.9 | 63% | 0.632 | 48% | 0.48 | S | S | * | . | trans | -79.6 | 145 | 144.9 | 41.2 | 0 | 0 | 0 | 0 | 108.8 | D632 | T630-D632 WeakPolarHBondContact CB-OD1 3.32Å; T630-D632 PolarHBondContact O-N 2.94Å; T630-D632 PolarHBondContact OG1-OD1 3.02Å | ||
| 631 | D | 36.5 | Very low | 53.1 | Low | 149 Ų | 149 | 93.9 Ų | 93.9 | 80% | 0.797 | 52% | 0.516 | S | S | * | . | trans | -78.4 | 93.9 | 163.5 | -98.2 | -43.4 | 0 | 0 | 0 | 108 | N633 A634 | D631-N633 PolarHBondContact O-N 2.86Å; D631-A634 PolarHBondContact O-N 3.03Å | ||
| 632 | D | 31.6 | Very low | 50.3 | Low | 147 Ų | 147 | 97.2 Ų | 97.2 | 79% | 0.786 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 49.6 | 175.9 | -65.2 | -16.7 | 0 | 0 | 0 | 111.5 | T630 | T630-D632 WeakPolarHBondContact CB-OD1 3.32Å; T630-D632 PolarHBondContact O-N 2.94Å; T630-D632 PolarHBondContact OG1-OD1 3.02Å |
| 633 | N | 30.9 | Very low | 47.4 | Very low | 128 Ų | 128 | 102 Ų | 102 | 68% | 0.684 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.4 | 14.4 | 170 | -135.2 | -17.2 | 0 | 0 | 0 | 112.4 | D631 N635 | D631-N633 PolarHBondContact O-N 2.86Å; N633-N635 PolarHBondContact O-N 3.05Å; N633-N635 PolarHBondContact OD1-ND2 3.11Å; N633-N635 VanDerWaalsContact OD1-ND2 3.13Å |
| 634 | A | 30.6 | Very low | 44.7 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 79% | 0.785 | 60% | 0.604 | S | S | * | * | trans | -68.9 | 64.1 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | D631 I636 | D631-A634 PolarHBondContact O-N 3.03Å; A634-I636 PolarHBondContact O-N 3.2Å | ||
| 635 | N | 28.3 | Very low | 42.1 | Very low | 124 Ų | 124 | 110.4 Ų | 110.4 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | trans | -59.7 | 135.4 | 171.9 | -90.5 | -68.6 | 0 | 0 | 0 | 109.8 | N633 V637 | N633-N635 PolarHBondContact O-N 3.05Å; N633-N635 PolarHBondContact OD1-ND2 3.11Å; N633-N635 VanDerWaalsContact OD1-ND2 3.13Å; N635-V637 PolarHBondContact O-N 3.2Å | ||
| 636 | I | 27.2 | Very low | 39.6 | Very low | 143 Ų | 143 | 113.4 Ų | 113.4 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | trans | -45.2 | 109.4 | 174.4 | -59.9 | 162.2 | 0 | 0 | 0 | 109.9 | A634 E638 | A634-I636 PolarHBondContact O-N 3.2Å; I636-E638 HydrophobicContact CG2-CG 3.85Å | ||
| 637 | V | 28.6 | Very low | 37.3 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | trans | -122 | 94 | 157.1 | -177.5 | 0 | 0 | 0 | 0 | 106.3 | N635 D639 | N635-V637 PolarHBondContact O-N 3.2Å; V637-D639 HydrophobicContact CG1-CB 4.25Å; V637-D639 PolarHBondContact O-N 3.28Å | ||
| 638 | E | 27.9 | Very low | 35.1 | Very low | 173 Ų | 173 | 115.3 Ų | 115.3 | 81% | 0.808 | 65% | 0.645 | S | S | * | * | trans | -73.2 | 73.7 | 166.1 | -67.8 | 169.4 | 158.8 | 0 | 0 | 108.1 | I636 D640 | I636-E638 HydrophobicContact CG2-CG 3.85Å; E638-D640 PolarHBondContact O-N 2.97Å | ||
| 639 | D | 29.5 | Very low | 33.7 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | trans | -73.8 | 79.3 | 168.3 | -87.8 | -23.3 | 0 | 0 | 0 | 108.8 | V637 D641 | V637-D639 HydrophobicContact CG1-CB 4.25Å; V637-D639 PolarHBondContact O-N 3.28Å; D639-D641 PolarHBondContact O-N 2.93Å; D639-D641 VanDerWaalsContact O-N 3.08Å | ||
| 640 | D | 28.7 | Very low | 32.6 | Very low | 138 Ų | 138 | 124 Ų | 124 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | trans | -70.9 | 86.7 | 177.8 | -172.2 | 29.1 | 0 | 0 | 0 | 110.6 | E638 | E638-D640 PolarHBondContact O-N 2.97Š| ||
| 641 | D | 32.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | trans | -120.1 | 98 | 172.1 | -136.6 | -10.9 | 0 | 0 | 0 | 110.7 | D639 | D639-D641 PolarHBondContact O-N 2.93Å; D639-D641 VanDerWaalsContact O-N 3.08Å | ||
| 642 | S | 30.7 | Very low | 32.4 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | trans | -81.3 | 156.4 | -160.5 | 62.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 643 | N | 29.9 | Very low | 32.6 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | trans | 68.3 | 106 | 167.5 | -33.5 | -71.7 | 0 | 0 | 0 | 116.7 | ||||
| 644 | D | 33.2 | Very low | 33.2 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | -157.2 | 121.4 | 100.7 | -126.2 | -37.2 | 0 | 0 | 0 | 109.5 | K1505 | D644-K1505 IonicContact OD1-NZ 3.84Å; D644-K1505 PolarHBondContact OD1-NZ 3.23Å | |||
| 645 | D | 33.8 | Very low | 34 | Very low | 60 Ų | 60 | 131 Ų | 131 | 32% | 0.321 | 70% | 0.698 | S | S | . | * | trans | -68.4 | 151.3 | 179.4 | -2.2 | -143.6 | 0 | 0 | 0 | 112.2 | K1505 H1506 | D645-K1505 HydrophobicContact CB-CG 3.94Å; D645-K1505 PolarHBondContact O-NZ 2.55Å; D645-K1505 WeakPolarHBondContact OD2-CD 3.38Å; D645-K1505 WeakPolarHBondContact OD2-CG 3.48Å; D645-K1505 IonicContact OD2-NZ 3.46Å; D645-K1505 PolarHBondContact OD2-NZ 3.37Å; D645-H1506 PolarHBondContact OD1-N 3.17Å; D645-H1506 IonicContact OD1-ND1 2.74Å; D645-H1506 IonicContact OD2-CE1 2.77Å; D645-H1506 IonicContact OD2-ND1 2.72Å | ||
| 646 | D | 38.6 | Very low | 34.9 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 51% | 0.508 | 70% | 0.703 | S | S | . | * | 167.6 | 114.3 | 127.7 | -75.3 | -18 | 0 | 0 | 0 | 113 | K1505 | D646-K1505 VanDerWaalsContact OD1-CE 3.26Å; D646-K1505 WeakPolarHBondContact OD1-CE 3.28Å; D646-K1505 WeakPolarHBondContact OD1-CG 3.46Å; D646-K1505 IonicContact OD1-NZ 3.79Å; D646-K1505 WeakPolarHBondContact OD2-CE 3.48Å; D646-K1505 IonicContact OD2-NZ 3.91Å | |||
| 647 | D | 36.9 | Very low | 35.9 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 35% | 0.348 | 68% | 0.679 | S | S | . | * | trans | 69.9 | 99.9 | 139.6 | -50.8 | 0.6 | 0 | 0 | 0 | 123.9 | K804 | D647-K804 PolarHBondContact O-NZ 3.37Š| ||
| 648 | D | 34.7 | Very low | 37.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 66% | 0.658 | 67% | 0.666 | S | S | * | * | 77.9 | 163.6 | 114.6 | -58.7 | -9.6 | 0 | 0 | 0 | 124.4 | K804 | D648-K804 PolarHBondContact O-NZ 3.49Š| |||
| 649 | D | 38.8 | Very low | 39.4 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | trans | 67.4 | 95.3 | -177.7 | -51.5 | -37.2 | 0 | 0 | 0 | 114.5 | ||||
| 650 | D | 34.7 | Very low | 41.8 | Very low | 146 Ų | 146 | 115.4 Ų | 115.4 | 78% | 0.781 | 63% | 0.628 | S | S | * | * | 74.4 | 100.9 | 67.2 | -74.4 | -0.8 | 0 | 0 | 0 | 114.3 | |||||
| 651 | D | 39.3 | Very low | 44.5 | Very low | 172 Ų | 172 | 111.4 Ų | 111.4 | 92% | 0.92 | 61% | 0.611 | S | S | * | * | trans | -172.5 | 96.1 | 148.8 | -101.8 | -25.6 | 0 | 0 | 0 | 107.8 | ||||
| 652 | D | 33.8 | Very low | 47 | Very low | 151 Ų | 151 | 105.8 Ų | 105.8 | 81% | 0.807 | 58% | 0.582 | S | S | * | * | trans | -81.1 | -169.7 | 172.8 | -80.9 | -50 | 0 | 0 | 0 | 111.7 | ||||
| 653 | D | 35.5 | Very low | 49.6 | Very low | 154 Ų | 154 | 105.9 Ų | 105.9 | 82% | 0.824 | 58% | 0.579 | S | S | * | * | trans | 67.4 | 79.5 | 171.3 | -64 | -16.6 | 0 | 0 | 0 | 117.8 | ||||
| 654 | D | 44.1 | Very low | 52.1 | Low | 122 Ų | 122 | 101 Ų | 101 | 65% | 0.652 | 55% | 0.552 | S | S | * | * | trans | -157.4 | 51 | 155.4 | -109.3 | -10.5 | 0 | 0 | 0 | 112.5 | K678 | D654-K678 PolarHBondContact O-NZ 2.97Å; D654-K678 VanDerWaalsContact O-NZ 3.16Å | ||
| 655 | E | 46.6 | Very low | 54.3 | Low | 169 Ų | 169 | 96 Ų | 96 | 79% | 0.79 | 53% | 0.529 | S | S | * | . | trans | -77.1 | -22.5 | 167.9 | -75.1 | -154.9 | 130 | 0 | 0 | 113 | L658 | E655-L658 PolarHBondContact O-N 3.43Š| ||
| 656 | E | 48.6 | Very low | 56.4 | Low | 165 Ų | 165 | 94.5 Ų | 94.5 | 77% | 0.771 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 119.1 | 173.7 | -61.6 | -168.5 | 147.2 | 0 | 0 | 110.7 | ||
| 657 | A | 47.9 | Very low | 57.7 | Low | 28 Ų | 28 | 97 Ų | 97 | 23% | 0.231 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -132.5 | 107.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S659 | A657-S659 PolarHBondContact O-N 3.19Š|
| 658 | L | 57.8 | Low | 58.3 | Low | 73 Ų | 73 | 100.5 Ų | 100.5 | 38% | 0.382 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -61.8 | -28.7 | 171.8 | -66.6 | 165.4 | 0 | 0 | 0 | 112.4 | L627 E655 | L627-L658 HydrophobicContact CD1-CD2 3.93Å; L627-L658 PolarHBondContact N-O 2.92Å; E655-L658 PolarHBondContact O-N 3.43Å |
| 659 | S | 71.3 | Confident | 59.5 | Low | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -150.3 | 155.2 | 170.9 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | W625 A657 | W625-S659 CarbonylContact O-C 3.17Å; W625-S659 WeakPolarHBondContact O-CA 3.18Å; W625-S659 VanDerWaalsContact O-CB 3.26Å; W625-S659 WeakPolarHBondContact O-CB 3.04Å; A657-S659 PolarHBondContact O-N 3.19Å |
| 660 | G | 80.7 | Confident | 61.5 | Low | 25 Ų | 25 | 100.1 Ų | 100.1 | 26% | 0.258 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | -178.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F624 W625 | F624-G660 WeakPolarHBondContact CA-O 3.36Å; W625-G660 PolarHBondContact N-O 3.43Å; W625-G660 PolarHBondContact O-N 2.82Å |
| 661 | S | 85.2 | Confident | 63.9 | Low | 54 Ų | 54 | 94.7 Ų | 94.7 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 152.4 | 170.4 | 78.9 | 0 | 0 | 0 | 0 | 112.5 | Q622 V623 F624 W625 | Q622-S661 PolarHBondContact NE2-OG 3.38Å; V623-S661 CarbonylContact O-C 3.44Å; V623-S661 WeakPolarHBondContact O-CA 3.32Å; V623-S661 VanDerWaalsContact O-CB 3.27Å; V623-S661 WeakPolarHBondContact O-CB 3.31Å; F624-S661 VanDerWaalsContact CD1-CB 3.44Å; W625-S661 VanDerWaalsContact CZ3-C 3.47Å; W625-S661 VanDerWaalsContact CZ3-CA 3.43Å |
| 662 | V | 85.6 | Confident | 66.1 | Low | 47 Ų | 47 | 87.7 Ų | 87.7 | 29% | 0.285 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.8 | 175.6 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | Q622 V623 W625 V672 | Q622-V662 WeakPolarHBondContact CA-O 3.43Å; V623-V662 HydrophobicContact CB-CG1 3.98Å; V623-V662 PolarHBondContact N-O 2.89Å; V623-V662 PolarHBondContact O-N 2.97Å; W625-V662 HydrophobicContact CH2-CB 4.43Å; W625-V662 HydrophobicContact CZ3-CB 4.13Å; W625-V662 HydrophobicContact CZ3-CG1 4Å; V662-V672 HydrophobicContact CG1-CB 4.43Å; V662-V672 HydrophobicContact CG1-CG1 3.76Å; V662-V672 HydrophobicContact CG1-CG2 3.92Å; V662-V672 HydrophobicContact CG2-CG2 4.35Å |
| 663 | T | 85.5 | Confident | 68.6 | Low | 80 Ų | 80 | 84.1 Ų | 84.1 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.4 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | Y621 Y695 | Y621-T663 CarbonylContact O-C 3.57Å; Y621-T663 WeakPolarHBondContact O-CA 3.08Å; T663-Y695 WeakPolarHBondContact CG2-OH 3.03Å |
| 664 | Q | 82.6 | Confident | 70.9 | Confident | 36 Ų | 36 | 77 Ų | 77 | 17% | 0.168 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.8 | 178.7 | -179.1 | 71 | -29.6 | 0 | 0 | 109.2 | W606 S620 Y621 Q669 S671 | W606-Q664 HydrophobicContact CH2-CB 4.21Å; W606-Q664 HydrophobicContact CH2-CG 4.19Å; W606-Q664 HydrophobicContact CZ2-CB 4.07Å; W606-Q664 HydrophobicContact CZ2-CG 3.99Å; S620-Q664 CarbonylContact C-O 3.5Å; S620-Q664 VanDerWaalsContact CA-O 3.29Å; S620-Q664 WeakPolarHBondContact CA-O 3.36Å; S620-Q664 WeakPolarHBondContact CB-O 3.27Å; Y621-Q664 PolarHBondContact N-O 3.19Å; Y621-Q664 PolarHBondContact O-N 2.82Å; Q664-Q669 PolarHBondContact NE2-O 3.45Å; Q664-S671 PolarHBondContact NE2-O 3.02Å |
| 665 | S | 79.1 | Confident | 72.5 | Confident | 41 Ų | 41 | 72.8 Ų | 72.8 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 146.8 | 173.1 | 116.3 | 0 | 0 | 0 | 0 | 110.2 | D667 K668 | S665-D667 PolarHBondContact O-N 3.01Å; S665-D667 PolarHBondContact OG-N 3.34Å; S665-D667 PolarHBondContact OG-OD2 3.46Å; S665-K668 PolarHBondContact O-N 2.85Å |
| 666 | A | 77.1 | Confident | 74 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I618 S619 Y621 | I618-A666 HydrophobicContact CG2-CB 4.26Å; I618-A666 WeakPolarHBondContact O-CB 3.36Å; S619-A666 WeakPolarHBondContact O-CB 3.3Å; S619-A666 PolarHBondContact O-N 3.19Å; Y621-A666 HydrophobicContact CE2-CB 4.14Å |
| 667 | D | 65.8 | Low | 75.5 | Confident | 146 Ų | 146 | 63 Ų | 63 | 78% | 0.781 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9.8 | 179 | -33.7 | -74.7 | 0 | 0 | 0 | 112.9 | S665 | S665-D667 PolarHBondContact O-N 3.01Å; S665-D667 PolarHBondContact OG-N 3.34Å; S665-D667 PolarHBondContact OG-OD2 3.46Å |
| 668 | K | 50.6 | Low | 76.8 | Confident | 139 Ų | 139 | 65 Ų | 65 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -103.4 | 164.4 | 174.6 | -67 | -176.2 | -179.3 | 177.6 | 0 | 110.3 | S665 | S665-K668 PolarHBondContact O-N 2.85Š|
| 669 | Q | 60 | Low | 77.6 | Confident | 156 Ų | 156 | 62.4 Ų | 62.4 | 73% | 0.729 | 35% | 0.354 | S | S | * | . | trans | -50.2 | 143.4 | -177.3 | -70.8 | 175.4 | -36.3 | 0 | 0 | 111.9 | Q664 S671 | Q664-Q669 PolarHBondContact NE2-O 3.45Å; Q669-S671 PolarHBondContact O-N 2.93Å | ||
| 670 | R | 79.9 | Confident | 77.9 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -76 | 45.2 | -177.9 | -47.2 | 179.9 | -174 | 159.4 | 9.6 | 112.3 | I605 W606 E1218 | I605-R670 CarbonylContact C-O 3.59Å; I605-R670 WeakPolarHBondContact CA-O 3.31Å; W606-R670 PolarHBondContact N-O 2.89Å; W606-R670 WeakPolarHBondContact O-CB 3.33Å; W606-R670 VanDerWaalsContact O-CD 3.27Å; W606-R670 WeakPolarHBondContact O-CD 3.19Å; R670-E1218 IonicContact CZ-OE2 3.72Å; R670-E1218 IonicContact NH1-OE2 2.75Å; R670-E1218 PolarHBondContact NH1-OE2 2.95Å |
| 671 | S | 84.5 | Confident | 77.8 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 155.1 | -177.9 | 57 | 0 | 0 | 0 | 0 | 111.5 | V604 W606 Q664 Q669 | V604-S671 CarbonylContact O-C 3.58Å; V604-S671 WeakPolarHBondContact O-CA 2.83Å; V604-S671 WeakPolarHBondContact O-CB 3.4Å; W606-S671 VanDerWaalsContact CZ3-CA 3.45Å; Q664-S671 PolarHBondContact NE2-O 3.02Å; Q669-S671 PolarHBondContact O-N 2.93Å |
| 672 | V | 86.9 | Confident | 77.6 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 146.2 | 174.5 | 76.4 | 0 | 0 | 0 | 0 | 110.4 | V604 W606 V623 V662 I674 | V604-V672 HydrophobicContact CB-CG1 4.36Å; V604-V672 PolarHBondContact N-O 2.82Å; V604-V672 PolarHBondContact O-N 2.61Å; W606-V672 HydrophobicContact CH2-CB 4.14Å; W606-V672 HydrophobicContact CH2-CG1 4.15Å; W606-V672 HydrophobicContact CZ3-CB 4.29Å; W606-V672 HydrophobicContact CZ3-CG1 4Å; V623-V672 HydrophobicContact CB-CG1 4.22Å; V623-V672 HydrophobicContact CG1-CG1 4.36Å; V623-V672 HydrophobicContact CG2-CG1 3.82Å; V662-V672 HydrophobicContact CG1-CB 4.43Å; V662-V672 HydrophobicContact CG1-CG1 3.76Å; V662-V672 HydrophobicContact CG1-CG2 3.92Å; V662-V672 HydrophobicContact CG2-CG2 4.35Å; V672-I674 HydrophobicContact CG1-CG1 4.47Å |
| 673 | T | 85.5 | Confident | 77.6 | Confident | 75 Ų | 75 | 62.5 Ų | 62.5 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.9 | 169.1 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | L597 E601 L602 | L597-T673 HydrophobicContact CD1-CG2 3.84Å; E601-T673 HydrophobicContact CB-CG2 4.42Å; L602-T673 CarbonylContact O-C 3.59Å; L602-T673 WeakPolarHBondContact O-CA 3.24Å |
| 674 | I | 84.5 | Confident | 77.6 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.2 | 171.8 | -55.2 | 167.1 | 0 | 0 | 0 | 107.3 | E601 L602 V604 V623 W625 V672 L677 | E601-I674 CarbonylContact C-O 3.51Å; E601-I674 WeakPolarHBondContact CA-O 3.38Å; L602-I674 PolarHBondContact N-O 2.89Å; L602-I674 PolarHBondContact O-N 2.89Å; V604-I674 HydrophobicContact CG2-CD1 3.61Å; V604-I674 HydrophobicContact CG2-CG1 4.25Å; V623-I674 HydrophobicContact CG1-CD1 4.09Å; W625-I674 HydrophobicContact CB-CD1 4.37Å; W625-I674 HydrophobicContact CD2-CD1 4.04Å; W625-I674 HydrophobicContact CD2-CG2 3.69Å; W625-I674 HydrophobicContact CE3-CD1 3.58Å; W625-I674 HydrophobicContact CE3-CG1 3.97Å; W625-I674 HydrophobicContact CE3-CG2 3.91Å; W625-I674 HydrophobicContact CG-CD1 4.39Å; W625-I674 HydrophobicContact CG-CG2 4.26Å; W625-I674 HydrophobicContact CH2-CG2 4.02Å; W625-I674 HydrophobicContact CZ2-CG2 3.8Å; W625-I674 HydrophobicContact CZ3-CD1 4.19Å; W625-I674 HydrophobicContact CZ3-CG1 4.08Å; W625-I674 HydrophobicContact CZ3-CG2 4.06Å; V672-I674 HydrophobicContact CG1-CG1 4.47Å; I674-L677 HydrophobicContact CB-CD1 4.35Å; I674-L677 HydrophobicContact CG2-CD1 3.95Å; I674-L677 HydrophobicContact CG2-CD2 3.96Å; I674-L677 HydrophobicContact CG2-CG 4.1Å |
| 675 | G | 76.7 | Confident | 77.9 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | trans | -120.2 | -174.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H600 L677 | H600-G675 CarbonylContact O-C 3.55Å; H600-G675 WeakPolarHBondContact O-CA 3.28Å; G675-L677 VanDerWaalsContact C-N 3.26Å; G675-L677 PolarHBondContact O-N 2.67Å | ||
| 676 | N | 77.6 | Confident | 78.4 | Confident | 127 Ų | 127 | 57 Ų | 57 | 68% | 0.679 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 56.6 | 33.5 | -178.7 | -60.7 | -2.9 | 0 | 0 | 0 | 114.4 | H600 | H600-N676 PolarHBondContact O-N 2.92Š|
| 677 | L | 81.4 | Confident | 79.1 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 157.5 | 176.4 | -58.2 | 173.6 | 0 | 0 | 0 | 111.3 | H600 L602 W625 I674 G675 Y683 T706 | H600-L677 WeakPolarHBondContact CA-O 3.31Å; H600-L677 PolarHBondContact ND1-O 2.93Å; H600-L677 WeakPolarHBondContact O-CB 3.05Å; H600-L677 PolarHBondContact O-N 2.8Å; L602-L677 HydrophobicContact CB-CD1 3.99Å; L602-L677 HydrophobicContact CD1-CD1 3.65Å; L602-L677 HydrophobicContact CG-CD1 3.53Å; W625-L677 HydrophobicContact CG-CD2 4.44Å; I674-L677 HydrophobicContact CB-CD1 4.35Å; I674-L677 HydrophobicContact CG2-CD1 3.95Å; I674-L677 HydrophobicContact CG2-CD2 3.96Å; I674-L677 HydrophobicContact CG2-CG 4.1Å; G675-L677 VanDerWaalsContact C-N 3.26Å; G675-L677 PolarHBondContact O-N 2.67Å; L677-Y683 HydrophobicContact CB-CD2 4.41Å; L677-Y683 HydrophobicContact CB-CE2 3.73Å; L677-Y683 HydrophobicContact CD1-CD2 4.49Å; L677-Y683 HydrophobicContact CD2-CD1 4.13Å; L677-Y683 HydrophobicContact CD2-CD2 4.31Å; L677-Y683 HydrophobicContact CD2-CE1 3.76Å; L677-Y683 HydrophobicContact CD2-CE2 3.97Å; L677-Y683 HydrophobicContact CD2-CG 4.38Å; L677-Y683 HydrophobicContact CG-CE2 4.3Å; L677-T706 HydrophobicContact CB-CG2 3.76Å; L677-T706 HydrophobicContact CD1-CG2 4.12Å |
| 678 | K | 74.7 | Confident | 80.2 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -80.1 | 141.7 | -179.9 | -64.4 | -173.4 | 177.7 | -172.8 | 0 | 110.6 | P599 D654 T681 Y683 T706 | P599-K678 CarbonylContact O-C 3.54Å; D654-K678 PolarHBondContact O-NZ 2.97Å; D654-K678 VanDerWaalsContact O-NZ 3.16Å; K678-T681 HydrophobicContact CB-CG2 4.4Å; K678-T681 WeakPolarHBondContact CB-OG1 3.45Å; K678-T681 VanDerWaalsContact O-CB 3.27Å; K678-T681 WeakPolarHBondContact O-CB 3.09Å; K678-T681 PolarHBondContact O-OG1 3.06Å; K678-Y683 PolarHBondContact N-OH 2.57Å; K678-T706 PolarHBondContact O-OG1 2.73Å |
| 679 | P | 74.9 | Confident | 82 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 147.9 | 178.7 | -28.3 | 36.9 | 0 | 0 | 0 | 114.5 | P599 H600 T681 D709 N738 | P599-P679 HydrophobicContact CB-CB 4.09Å; P599-P679 HydrophobicContact CB-CG 4.18Å; P599-P679 VanDerWaalsContact O-CA 3.31Å; P599-P679 WeakPolarHBondContact O-CA 3.48Å; H600-P679 VanDerWaalsContact CE1-CG 3.49Å; H600-P679 WeakPolarHBondContact CE1-CG 3.49Å; P679-T681 PolarHBondContact O-N 2.9Å; P679-T681 PolarHBondContact O-OG1 3.17Å; P679-D709 HydrophobicContact CB-CB 3.72Å; P679-D709 HydrophobicContact CG-CB 4Å; P679-N738 HydrophobicContact CB-CB 4.06Å |
| 680 | Y | 77.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 34.8 Ų | 34.8 | 31% | 0.31 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 23.4 | 179.3 | -161.9 | -114.3 | 0 | 0 | 0 | 115.2 | Q705 T706 N707 D708 N738 G739 | Y680-Q705 PolarHBondContact O-NE2 2.9Å; Y680-T706 WeakPolarHBondContact CA-O 3.34Å; Y680-T706 PolarHBondContact N-OG1 2.98Å; Y680-N707 PolarHBondContact N-O 3.08Å; Y680-N707 VanDerWaalsContact N-O 3.1Å; Y680-D708 HydrophobicContact CD2-CB 4.27Å; Y680-D708 VanDerWaalsContact CD2-CG 3.43Å; Y680-D708 VanDerWaalsContact CD2-OD1 3.29Å; Y680-D708 WeakPolarHBondContact CD2-OD1 3.38Å; Y680-D708 WeakPolarHBondContact CE2-OD1 3.17Å; Y680-N738 WeakPolarHBondContact CB-O 3.38Å; Y680-G739 VanDerWaalsContact CG-CA 3.45Å |
| 681 | T | 77.8 | Confident | 83.3 | Confident | 35 Ų | 35 | 30.6 Ų | 30.6 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | trans | -102.8 | 131.9 | -169.9 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | L627 K678 P679 Y683 Q705 T706 | L627-T681 HydrophobicContact CD2-CG2 3.37Å; K678-T681 HydrophobicContact CB-CG2 4.4Å; K678-T681 WeakPolarHBondContact CB-OG1 3.45Å; K678-T681 VanDerWaalsContact O-CB 3.27Å; K678-T681 WeakPolarHBondContact O-CB 3.09Å; K678-T681 PolarHBondContact O-OG1 3.06Å; P679-T681 PolarHBondContact O-N 2.9Å; P679-T681 PolarHBondContact O-OG1 3.17Å; T681-Y683 HydrophobicContact CG2-CD2 4.15Å; T681-Y683 HydrophobicContact CG2-CE2 3.64Å; T681-Y683 WeakPolarHBondContact O-CD2 3.46Å; T681-Y683 PolarHBondContact O-N 2.85Å; T681-Q705 WeakPolarHBondContact O-CA 3.46Å; T681-T706 PolarHBondContact N-OG1 3.34Å; T681-T706 PolarHBondContact O-N 2.95Å; T681-T706 VanDerWaalsContact O-N 3.15Å; T681-T706 PolarHBondContact O-OG1 3.3Å | ||
| 682 | Q | 80.9 | Confident | 83 | Confident | 89 Ų | 89 | 34.6 Ų | 34.6 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.4 | 175.6 | -70.2 | -173.7 | -11.5 | 0 | 0 | 109.9 | A628 I703 Q705 | A628-Q682 HydrophobicContact CB-CB 3.65Å; A628-Q682 WeakPolarHBondContact CB-O 3.47Å; A628-Q682 PolarHBondContact N-O 2.77Å; Q682-I703 HydrophobicContact CB-CG2 4.18Å; Q682-I703 HydrophobicContact CG-CG2 4.48Å; Q682-Q705 HydrophobicContact CG-CB 3.93Å; Q682-Q705 HydrophobicContact CG-CG 3.76Å |
| 683 | Y | 84.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 148.9 | 171.3 | -72.6 | -89.8 | 0 | 0 | 0 | 110 | E626 L627 L677 K678 T681 I685 I703 A704 T706 | E626-Y683 CarbonylContact O-C 3.49Å; E626-Y683 VanDerWaalsContact O-CA 3.27Å; E626-Y683 WeakPolarHBondContact O-CA 3.46Å; L627-Y683 HydrophobicContact CD2-CD1 4.28Å; L627-Y683 HydrophobicContact CD2-CE1 3.86Å; L677-Y683 HydrophobicContact CB-CD2 4.41Å; L677-Y683 HydrophobicContact CB-CE2 3.73Å; L677-Y683 HydrophobicContact CD1-CD2 4.49Å; L677-Y683 HydrophobicContact CD2-CD1 4.13Å; L677-Y683 HydrophobicContact CD2-CD2 4.31Å; L677-Y683 HydrophobicContact CD2-CE1 3.76Å; L677-Y683 HydrophobicContact CD2-CE2 3.97Å; L677-Y683 HydrophobicContact CD2-CG 4.38Å; L677-Y683 HydrophobicContact CG-CE2 4.3Å; K678-Y683 PolarHBondContact N-OH 2.57Å; T681-Y683 HydrophobicContact CG2-CD2 4.15Å; T681-Y683 HydrophobicContact CG2-CE2 3.64Å; T681-Y683 WeakPolarHBondContact O-CD2 3.46Å; T681-Y683 PolarHBondContact O-N 2.85Å; Y683-I685 WeakPolarHBondContact O-CD1 3.23Å; Y683-I703 CarbonylContact O-C 3.36Å; Y683-I703 WeakPolarHBondContact O-CA 3.5Å; Y683-A704 PolarHBondContact N-O 3.29Å; Y683-A704 PolarHBondContact O-N 2.85Å; Y683-T706 HydrophobicContact CD2-CG2 4.41Å; Y683-T706 HydrophobicContact CE2-CG2 4.39Å |
| 684 | R | 86 | Confident | 82.3 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.2 | 171.5 | -176.9 | -174.8 | -62.7 | -74.2 | -9.7 | 108 | W625 E626 A628 P701 | W625-R684 VanDerWaalsContact CA-O 3.3Å; W625-R684 WeakPolarHBondContact CA-O 3.32Å; E626-R684 HydrophobicContact CG-CB 3.91Å; E626-R684 HydrophobicContact CG-CG 4.39Å; E626-R684 PolarHBondContact N-O 2.86Å; E626-R684 PolarHBondContact O-N 2.77Å; E626-R684 WeakPolarHBondContact OE1-CD 3.42Å; A628-R684 PolarHBondContact O-NH2 3.38Å; R684-P701 HydrophobicContact CG-CB 3.45Å; R684-P701 VanDerWaalsContact CG-CB 3.45Å |
| 685 | I | 88.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.9 | -177 | -61.4 | 84.5 | 0 | 0 | 0 | 109.2 | V594 L602 V604 V623 F624 W625 Y683 P701 V702 A704 | V594-I685 HydrophobicContact CG1-CD1 4.29Å; V594-I685 HydrophobicContact CG2-CB 4.08Å; V594-I685 HydrophobicContact CG2-CD1 4.36Å; V594-I685 HydrophobicContact CG2-CG1 4.26Å; V594-I685 HydrophobicContact CG2-CG2 4.12Å; L602-I685 HydrophobicContact CD1-CD1 3.93Å; V604-I685 HydrophobicContact CG1-CG2 3.86Å; V604-I685 HydrophobicContact CG2-CG2 3.82Å; V623-I685 HydrophobicContact CG1-CG2 3.92Å; F624-I685 VanDerWaalsContact O-CA 3.31Å; F624-I685 WeakPolarHBondContact O-CA 3.43Å; W625-I685 HydrophobicContact CB-CG1 4.32Å; Y683-I685 WeakPolarHBondContact O-CD1 3.23Å; I685-P701 CarbonylContact O-C 3.58Å; I685-P701 WeakPolarHBondContact O-CA 3.48Å; I685-V702 PolarHBondContact N-O 3.13Å; I685-V702 PolarHBondContact O-N 2.87Å; I685-A704 HydrophobicContact CD1-CB 3.84Å |
| 686 | T | 90.7 | Very high | 82.5 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 155 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | V623 F624 R698 S699 P701 | V623-T686 CarbonylContact C-O 3.52Å; V623-T686 WeakPolarHBondContact CA-O 3.5Å; F624-T686 PolarHBondContact N-O 3.18Å; F624-T686 PolarHBondContact O-N 2.83Å; T686-R698 HydrophobicContact CG2-CB 4.37Å; T686-R698 WeakPolarHBondContact OG1-CD 3.01Å; T686-S699 WeakPolarHBondContact CA-OG 3.47Å; T686-S699 WeakPolarHBondContact CG2-O 3.28Å; T686-P701 HydrophobicContact CG2-CB 3.79Å |
| 687 | V | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.4 | 174.3 | -166.8 | 0 | 0 | 0 | 0 | 109.2 | P589 V592 V604 W606 Q622 V623 R698 S699 | P589-V687 HydrophobicContact CB-CB 4.11Å; P589-V687 HydrophobicContact CB-CG1 4.29Å; P589-V687 VanDerWaalsContact CD-O 3.23Å; P589-V687 WeakPolarHBondContact CD-O 3.41Å; P589-V687 HydrophobicContact CG-CB 3.98Å; P589-V687 HydrophobicContact CG-CG1 3.9Å; P589-V687 VanDerWaalsContact CG-O 3.3Å; P589-V687 WeakPolarHBondContact CG-O 3.2Å; V592-V687 HydrophobicContact CG1-CG2 3.82Å; V592-V687 HydrophobicContact CG2-CB 4.43Å; V592-V687 HydrophobicContact CG2-CG2 4.11Å; V604-V687 HydrophobicContact CG1-CG2 4.07Å; W606-V687 HydrophobicContact CB-CG2 4.26Å; W606-V687 HydrophobicContact CD2-CG1 3.91Å; W606-V687 HydrophobicContact CD2-CG2 4.24Å; W606-V687 HydrophobicContact CE3-CG1 4.41Å; W606-V687 HydrophobicContact CE3-CG2 4.12Å; W606-V687 HydrophobicContact CG-CB 4.48Å; W606-V687 HydrophobicContact CG-CG1 3.96Å; W606-V687 HydrophobicContact CG-CG2 4.32Å; Q622-V687 CarbonylContact O-C 3.5Å; Q622-V687 WeakPolarHBondContact O-CA 3.48Å; V623-V687 HydrophobicContact CG1-CG2 4.37Å; V623-V687 HydrophobicContact CG2-CG1 3.99Å; V623-V687 HydrophobicContact CG2-CG2 4.03Å; V687-R698 CarbonylContact O-C 3.58Å; V687-R698 WeakPolarHBondContact O-CA 3.5Å; V687-S699 PolarHBondContact N-OG 3.17Å; V687-S699 WeakPolarHBondContact O-CB 3.33Å; V687-S699 PolarHBondContact O-N 3.47Å |
| 688 | A | 90.1 | Very high | 83.1 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y621 Q622 F624 Y695 R698 | Y621-A688 CarbonylContact C-O 3.59Å; Y621-A688 WeakPolarHBondContact CA-O 3.38Å; Q622-A688 PolarHBondContact N-O 3.24Å; Q622-A688 PolarHBondContact O-N 2.69Å; F624-A688 HydrophobicContact CE2-CB 4.01Å; A688-Y695 HydrophobicContact CB-CD1 4.22Å; A688-R698 HydrophobicContact CB-CG 4.13Å |
| 689 | A | 87.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P589 P609 I618 Y621 Y695 G696 | P589-A689 HydrophobicContact CG-CB 3.99Å; P609-A689 VanDerWaalsContact CD-CB 3.45Å; P609-A689 HydrophobicContact CG-CB 3.52Å; I618-A689 HydrophobicContact CD1-CB 4.16Å; I618-A689 HydrophobicContact CG2-CB 4.14Å; Y621-A689 HydrophobicContact CD1-CB 3.93Å; Y621-A689 HydrophobicContact CE1-CB 4.1Å; A689-Y695 WeakPolarHBondContact O-CA 3.47Å; A689-G696 PolarHBondContact O-N 2.88Å |
| 690 | G | 83.9 | Confident | 84 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | I618 S619 S620 G694 Y695 | I618-G690 CarbonylContact C-O 3.48Å; I618-G690 WeakPolarHBondContact CA-O 3.38Å; S619-G690 PolarHBondContact N-O 3.3Å; S619-G690 PolarHBondContact OG-O 3.23Å; S620-G690 PolarHBondContact N-O 2.98Å; S620-G690 PolarHBondContact O-N 2.87Å; G690-G694 WeakPolarHBondContact CA-O 3.38Å; G690-Y695 VanDerWaalsContact CA-CD1 3.49Å |
| 691 | T | 83.8 | Confident | 84.2 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 175.3 | 159.3 | 67.2 | 0 | 0 | 0 | 0 | 109.1 | S583 P585 Q614 L617 I618 K693 G694 | S583-T691 PolarHBondContact O-OG1 2.85Å; P585-T691 HydrophobicContact CG-CG2 3.91Å; Q614-T691 WeakPolarHBondContact O-CG2 3.47Å; L617-T691 WeakPolarHBondContact O-CA 3.25Å; L617-T691 WeakPolarHBondContact O-CB 3.22Å; L617-T691 WeakPolarHBondContact O-CG2 3.26Å; I618-T691 HydrophobicContact CD1-CG2 4.01Å; T691-K693 PolarHBondContact O-N 3.3Å; T691-K693 PolarHBondContact OG1-N 2.91Å; T691-G694 PolarHBondContact N-O 3.24Å; T691-G694 PolarHBondContact O-N 2.95Å |
| 692 | V | 78.4 | Confident | 84.4 | Confident | 116 Ų | 116 | 45.1 Ų | 45.1 | 70% | 0.703 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 3.1 | 168.6 | -58.4 | 0 | 0 | 0 | 0 | 115 | ||
| 693 | K | 79.3 | Confident | 84.6 | Confident | 135 Ų | 135 | 45.1 Ų | 45.1 | 59% | 0.587 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -3.1 | 172.7 | -64 | -55.4 | -172.3 | -170.7 | 0 | 114.2 | P582 T691 | P582-K693 HydrophobicContact CG-CG 4.31Å; T691-K693 PolarHBondContact O-N 3.3Å; T691-K693 PolarHBondContact OG1-N 2.91Å |
| 694 | G | 76.9 | Confident | 84.3 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 32% | 0.32 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.4 | 171.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A584 G690 T691 | A584-G694 WeakPolarHBondContact CB-O 3.22Å; G690-G694 WeakPolarHBondContact CA-O 3.38Å; T691-G694 PolarHBondContact N-O 3.24Å; T691-G694 PolarHBondContact O-N 2.95Å |
| 695 | Y | 84.7 | Confident | 84.2 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 33% | 0.329 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.9 | 174.5 | -66.3 | -79 | 0 | 0 | 0 | 111.6 | S620 Q622 T663 A688 A689 G690 | S620-Y695 WeakPolarHBondContact OG-CE1 3.43Å; S620-Y695 PolarHBondContact OG-OH 3.48Å; Q622-Y695 HydrophobicContact CB-CD1 4.18Å; Q622-Y695 HydrophobicContact CB-CE1 3.77Å; Q622-Y695 HydrophobicContact CB-CE2 4.49Å; T663-Y695 WeakPolarHBondContact CG2-OH 3.03Å; A688-Y695 HydrophobicContact CB-CD1 4.22Å; A689-Y695 WeakPolarHBondContact O-CA 3.47Å; G690-Y695 VanDerWaalsContact CA-CD1 3.49Å |
| 696 | G | 81.4 | Confident | 83.9 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -165.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P585 A689 | P585-G696 WeakPolarHBondContact O-CA 3.39Å; A689-G696 PolarHBondContact O-N 2.88Å |
| 697 | P | 83.8 | Confident | 83.3 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 149.9 | 174.5 | 26.3 | -33 | 0 | 0 | 0 | 111.4 | P585 P588 | P585-P697 VanDerWaalsContact O-CD 3.28Å; P585-P697 WeakPolarHBondContact O-CD 3.28Å; P588-P697 WeakPolarHBondContact CA-O 3.39Å; P588-P697 HydrophobicContact CB-CG 4.19Å; P588-P697 WeakPolarHBondContact CB-O 3.49Å |
| 698 | R | 88.5 | Confident | 82.6 | Confident | 114 Ų | 114 | 51 Ų | 51 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 149.3 | 165.7 | -76.7 | 174 | 176.4 | -175.3 | 2.9 | 109.4 | P588 F624 T686 V687 A688 | P588-R698 WeakPolarHBondContact CB-O 3.35Å; F624-R698 HydrophobicContact CD2-CG 4.1Å; F624-R698 VanDerWaalsContact CD2-NE 3.33Å; F624-R698 VanDerWaalsContact CE1-NH2 3.26Å; F624-R698 HydrophobicContact CE2-CG 3.95Å; T686-R698 HydrophobicContact CG2-CB 4.37Å; T686-R698 WeakPolarHBondContact OG1-CD 3.01Å; V687-R698 CarbonylContact O-C 3.58Å; V687-R698 WeakPolarHBondContact O-CA 3.5Å; A688-R698 HydrophobicContact CB-CG 4.13Å |
| 699 | S | 89 | Confident | 82 | Confident | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 165.5 | 166.2 | 71.4 | 0 | 0 | 0 | 0 | 111.2 | T686 V687 | T686-S699 WeakPolarHBondContact CA-OG 3.47Å; T686-S699 WeakPolarHBondContact CG2-O 3.28Å; V687-S699 PolarHBondContact N-OG 3.17Å; V687-S699 WeakPolarHBondContact O-CB 3.33Å; V687-S699 PolarHBondContact O-N 3.47Å |
| 700 | E | 79.5 | Confident | 81.4 | Confident | 161 Ų | 161 | 54.1 Ų | 54.1 | 75% | 0.752 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 144.1 | 163.2 | -69.6 | -53.1 | 137.6 | 0 | 0 | 110.7 | V702 | E700-V702 PolarHBondContact O-N 3.49Š|
| 701 | P | 82 | Confident | 81.4 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 31% | 0.312 | 29% | 0.286 | S | S | . | . | trans | -78.9 | 105.1 | -174.5 | 28 | -31.6 | 0 | 0 | 0 | 112.5 | R684 I685 T686 I703 | R684-P701 HydrophobicContact CG-CB 3.45Å; R684-P701 VanDerWaalsContact CG-CB 3.45Å; I685-P701 CarbonylContact O-C 3.58Å; I685-P701 WeakPolarHBondContact O-CA 3.48Å; T686-P701 HydrophobicContact CG2-CB 3.79Å; P701-I703 PolarHBondContact O-N 3.29Å | ||
| 702 | V | 82.1 | Confident | 81 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120.1 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | V592 V594 I685 E700 | V592-V702 HydrophobicContact CB-CG2 3.95Å; V592-V702 HydrophobicContact CG1-CG2 3.78Å; V592-V702 WeakPolarHBondContact O-CG2 3.36Å; V594-V702 HydrophobicContact CB-CG1 4.1Å; V594-V702 HydrophobicContact CG2-CB 4.04Å; V594-V702 HydrophobicContact CG2-CG1 3.72Å; I685-V702 PolarHBondContact N-O 3.13Å; I685-V702 PolarHBondContact O-N 2.87Å; E700-V702 PolarHBondContact O-N 3.49Å |
| 703 | I | 84.2 | Confident | 81.2 | Confident | 89 Ų | 89 | 50.7 Ų | 50.7 | 46% | 0.456 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121 | 173.2 | -61.1 | 175.2 | 0 | 0 | 0 | 108.6 | A628 Q682 Y683 P701 | A628-I703 HydrophobicContact CB-CD1 4.46Å; A628-I703 HydrophobicContact CB-CG1 4.46Å; A628-I703 HydrophobicContact CB-CG2 3.92Å; Q682-I703 HydrophobicContact CB-CG2 4.18Å; Q682-I703 HydrophobicContact CG-CG2 4.48Å; Y683-I703 CarbonylContact O-C 3.36Å; Y683-I703 WeakPolarHBondContact O-CA 3.5Å; P701-I703 PolarHBondContact O-N 3.29Å |
| 704 | A | 78.5 | Confident | 81.6 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V594 L602 Y683 I685 | V594-A704 HydrophobicContact CB-CB 3.85Å; V594-A704 HydrophobicContact CG1-CB 3.49Å; V594-A704 VanDerWaalsContact CG1-CB 3.49Å; L602-A704 HydrophobicContact CD1-CB 4.1Å; L602-A704 HydrophobicContact CD2-CB 4.43Å; Y683-A704 PolarHBondContact N-O 3.29Å; Y683-A704 PolarHBondContact O-N 2.85Å; I685-A704 HydrophobicContact CD1-CB 3.84Å |
| 705 | Q | 83.5 | Confident | 82.1 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.5 | 177.7 | -160.3 | 167.5 | 3.9 | 0 | 0 | 109.6 | A596 Y680 T681 Q682 | A596-Q705 WeakPolarHBondContact CB-O 3.44Å; Y680-Q705 PolarHBondContact O-NE2 2.9Å; T681-Q705 WeakPolarHBondContact O-CA 3.46Å; Q682-Q705 HydrophobicContact CG-CB 3.93Å; Q682-Q705 HydrophobicContact CG-CG 3.76Å |
| 706 | T | 81.8 | Confident | 82.1 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 157.1 | 166.9 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | P599 L602 L677 K678 Y680 T681 Y683 | P599-T706 VanDerWaalsContact O-CB 3.3Å; P599-T706 WeakPolarHBondContact O-CB 3.38Å; L602-T706 HydrophobicContact CD1-CG2 4.5Å; L602-T706 HydrophobicContact CD2-CG2 4.08Å; L602-T706 HydrophobicContact CG-CG2 4.12Å; L677-T706 HydrophobicContact CB-CG2 3.76Å; L677-T706 HydrophobicContact CD1-CG2 4.12Å; K678-T706 PolarHBondContact O-OG1 2.73Å; Y680-T706 WeakPolarHBondContact CA-O 3.34Å; Y680-T706 PolarHBondContact N-OG1 2.98Å; T681-T706 PolarHBondContact N-OG1 3.34Å; T681-T706 PolarHBondContact O-N 2.95Å; T681-T706 VanDerWaalsContact O-N 3.15Å; T681-T706 PolarHBondContact O-OG1 3.3Å; Y683-T706 HydrophobicContact CD2-CG2 4.41Å; Y683-T706 HydrophobicContact CE2-CG2 4.39Å |
| 707 | N | 77.9 | Confident | 82.4 | Confident | 56 Ų | 56 | 50.2 Ų | 50.2 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -65 | 155.5 | -179 | -72 | -82.1 | 0 | 0 | 0 | 112.6 | A596 S598 P599 Y680 | A596-N707 PolarHBondContact O-ND2 3.22Å; S598-N707 PolarHBondContact N-ND2 2.85Å; S598-N707 PolarHBondContact O-N 3.36Å; S598-N707 PolarHBondContact O-ND2 2.88Å; S598-N707 VanDerWaalsContact O-ND2 3.13Å; P599-N707 WeakPolarHBondContact CA-O 3.44Å; P599-N707 WeakPolarHBondContact CB-O 3.42Å; P599-N707 HydrophobicContact CG-CB 4.29Å; Y680-N707 PolarHBondContact N-O 3.08Å; Y680-N707 VanDerWaalsContact N-O 3.1Å |
| 708 | D | 76.8 | Confident | 82.7 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 147.6 | 168.3 | -56.3 | 55.1 | 0 | 0 | 0 | 111.4 | Y680 N738 G739 K797 | Y680-D708 HydrophobicContact CD2-CB 4.27Å; Y680-D708 VanDerWaalsContact CD2-CG 3.43Å; Y680-D708 VanDerWaalsContact CD2-OD1 3.29Å; Y680-D708 WeakPolarHBondContact CD2-OD1 3.38Å; Y680-D708 WeakPolarHBondContact CE2-OD1 3.17Å; D708-N738 CarbonylContact C-O 3.56Å; D708-N738 VanDerWaalsContact CA-O 3.32Å; D708-N738 WeakPolarHBondContact CA-O 3.45Å; D708-G739 VanDerWaalsContact OD2-CA 3.23Å; D708-G739 WeakPolarHBondContact OD2-CA 3.48Å; D708-K797 HydrophobicContact CB-CD 4.28Å; D708-K797 HydrophobicContact CB-CG 3.53Å; D708-K797 VanDerWaalsContact O-CD 3.31Å; D708-K797 WeakPolarHBondContact O-CD 3.35Å; D708-K797 WeakPolarHBondContact O-CE 3.33Å; D708-K797 WeakPolarHBondContact O-CG 3.32Å; D708-K797 PolarHBondContact O-NZ 3.05Å |
| 709 | D | 77.6 | Confident | 82.7 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | trans | -132.3 | 177 | 167.5 | -176.4 | 33.4 | 0 | 0 | 0 | 110 | P599 P679 N738 N795 | P599-D709 HydrophobicContact CB-CB 3.9Å; P599-D709 HydrophobicContact CG-CB 4.06Å; P679-D709 HydrophobicContact CB-CB 3.72Å; P679-D709 HydrophobicContact CG-CB 4Å; D709-N738 HydrophobicContact CB-CB 4.25Å; D709-N738 PolarHBondContact N-O 3.38Å; D709-N738 WeakPolarHBondContact O-CB 3.32Å; D709-N795 PolarHBondContact O-ND2 3.4Å | ||
| 710 | V | 76.4 | Confident | 82.5 | Confident | 24 Ų | 24 | 50.7 Ų | 50.7 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 145.3 | -178.6 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | N738 K797 Y801 | V710-N738 VanDerWaalsContact O-CB 3.28Å; V710-N738 WeakPolarHBondContact O-CB 3.49Å; V710-N738 PolarHBondContact O-ND2 3.14Å; V710-K797 HydrophobicContact CG1-CB 4.49Å; V710-Y801 HydrophobicContact CG2-CE2 4.3Å |
| 711 | P | 82.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 148.9 | -178.5 | -23.5 | 35.4 | 0 | 0 | 0 | 114.6 | L741 A793 N795 G800 Y801 | P711-L741 HydrophobicContact CB-CD2 3.82Å; P711-L741 HydrophobicContact CG-CD2 3.6Å; P711-A793 HydrophobicContact CB-CB 3.88Å; P711-A793 HydrophobicContact CG-CB 4.33Å; P711-N795 HydrophobicContact CG-CB 3.9Å; P711-G800 CarbonylContact O-C 3.6Å; P711-G800 VanDerWaalsContact O-CA 3.25Å; P711-G800 WeakPolarHBondContact O-CA 3.4Å; P711-Y801 WeakPolarHBondContact O-CD2 3.45Å; P711-Y801 PolarHBondContact O-N 3.42Å |
| 712 | G | 76.6 | Confident | 82.3 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 12% | 0.124 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 170.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P734 H736 | G712-P734 WeakPolarHBondContact O-CB 3.46Å; G712-P734 VanDerWaalsContact O-CG 3.28Å; G712-P734 WeakPolarHBondContact O-CG 3.44Å; G712-H736 WeakPolarHBondContact CA-O 3.44Å; G712-H736 PolarHBondContact N-O 3.4Å |
| 713 | A | 82.5 | Confident | 81.8 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 31% | 0.314 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 136.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P734 Y801 F802 | A713-P734 VanDerWaalsContact O-CA 3.31Å; A713-P734 WeakPolarHBondContact O-CA 3.42Å; A713-P734 WeakPolarHBondContact O-CB 3.3Å; A713-Y801 WeakPolarHBondContact CA-O 3.32Å; A713-F802 VanDerWaalsContact CB-O 3.32Å; A713-F802 WeakPolarHBondContact CB-O 3.39Å |
| 714 | P | 86.7 | Confident | 81.4 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 5% | 0.045 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 153.4 | 164.5 | -20.5 | 31.6 | 0 | 0 | 0 | 111.1 | W731 P734 Y744 V791 A793 Y801 T803 | P714-W731 HydrophobicContact CB-CB 4.47Å; P714-W731 HydrophobicContact CB-CG 4.37Å; P714-P734 HydrophobicContact CG-CG 4.48Å; P714-Y744 HydrophobicContact CB-CD1 4.47Å; P714-Y744 HydrophobicContact CB-CE1 4.28Å; P714-Y744 HydrophobicContact CG-CD1 3.94Å; P714-Y744 HydrophobicContact CG-CE1 4.02Å; P714-V791 WeakPolarHBondContact CD-O 3.37Å; P714-V791 HydrophobicContact CG-CB 4.47Å; P714-V791 HydrophobicContact CG-CG1 4.26Å; P714-A793 HydrophobicContact CG-CB 4.25Å; P714-Y801 WeakPolarHBondContact CD-O 3.34Å; P714-T803 HydrophobicContact CB-CG2 3.88Å; P714-T803 HydrophobicContact CG-CG2 4.33Å; P714-T803 VanDerWaalsContact O-CG2 3.3Å; P714-T803 WeakPolarHBondContact O-CG2 3.34Å |
| 715 | R | 87.2 | Confident | 81.3 | Confident | 116 Ų | 116 | 47.2 Ų | 47.2 | 44% | 0.438 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 158.6 | -173.2 | -71 | -173.5 | -68.8 | 163.3 | -2.6 | 111.3 | L717 R732 E733 | R715-L717 PolarHBondContact O-N 2.75Å; R715-R732 HydrophobicContact CB-CB 4.06Å; R715-R732 PolarHBondContact N-O 2.82Å; R715-R732 PolarHBondContact O-N 3.09Å; R715-E733 PolarHBondContact NE-O 2.8Å; R715-E733 PolarHBondContact NH2-O 2.88Å |
| 716 | H | 84.7 | Confident | 81.1 | Confident | 117 Ų | 117 | 44.2 Ų | 44.2 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50 | 56.1 | 171.4 | -64.7 | -136.3 | 0 | 0 | 0 | 114.4 | V718 R732 | H716-V718 PolarHBondContact O-N 3.06Å; H716-R732 HydrophobicContact CB-CB 4.49Å; H716-R732 HydrophobicContact CB-CG 4.16Å; H716-R732 PolarHBondContact CE1-NH1 2.76Å; H716-R732 VanDerWaalsContact CE1-NH1 3.26Å |
| 717 | L | 89.1 | Confident | 81.2 | Confident | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 117 | 176.3 | 178.9 | 57.8 | 0 | 0 | 0 | 111.2 | R715 V719 V729 F789 V791 T803 R806 | R715-L717 PolarHBondContact O-N 2.75Å; L717-V719 HydrophobicContact CD1-CG2 4.33Å; L717-V719 HydrophobicContact CG-CG2 4.38Å; L717-V729 HydrophobicContact CD1-CG1 3.68Å; L717-F789 WeakPolarHBondContact CD2-O 3.49Å; L717-V791 HydrophobicContact CD1-CG2 3.66Å; L717-V791 HydrophobicContact CD2-CG2 4.37Å; L717-T803 HydrophobicContact CB-CG2 3.98Å; L717-T803 HydrophobicContact CD2-CG2 4.31Å; L717-T803 WeakPolarHBondContact CD2-OG1 3.33Å; L717-R806 HydrophobicContact CD2-CB 4.03Å; L717-R806 HydrophobicContact CG-CB 4.29Å; L717-R806 WeakPolarHBondContact O-CD 3.01Å; L717-R806 PolarHBondContact O-NH1 3.12Å |
| 718 | V | 88.6 | Confident | 81.8 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.5 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 109.2 | H716 K720 V729 S730 | H716-V718 PolarHBondContact O-N 3.06Å; V718-K720 HydrophobicContact CG1-CD 4.49Å; V718-K720 HydrophobicContact CG1-CG 4.21Å; V718-V729 CarbonylContact O-C 3.49Å; V718-V729 WeakPolarHBondContact O-CA 3.48Å; V718-S730 PolarHBondContact N-O 3.44Å; V718-S730 PolarHBondContact O-N 3.46Å |
| 719 | V | 89.6 | Confident | 82.4 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.9 | 176 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | L717 A727 H728 V729 F789 R806 V808 | L717-V719 HydrophobicContact CD1-CG2 4.33Å; L717-V719 HydrophobicContact CG-CG2 4.38Å; V719-A727 HydrophobicContact CG1-CB 4.09Å; V719-H728 CarbonylContact C-O 3.5Å; V719-H728 WeakPolarHBondContact CA-O 3.26Å; V719-V729 HydrophobicContact CG1-CG2 4.36Å; V719-V729 HydrophobicContact CG2-CG1 4.21Å; V719-V729 HydrophobicContact CG2-CG2 4.37Å; V719-F789 HydrophobicContact CG1-CD1 4.19Å; V719-F789 HydrophobicContact CG1-CD2 3.99Å; V719-F789 HydrophobicContact CG1-CE1 4.12Å; V719-F789 HydrophobicContact CG1-CE2 3.92Å; V719-F789 HydrophobicContact CG1-CG 4.15Å; V719-F789 HydrophobicContact CG1-CZ 3.99Å; V719-F789 HydrophobicContact CG2-CB 3.81Å; V719-F789 HydrophobicContact CG2-CD1 4.2Å; V719-F789 HydrophobicContact CG2-CD2 4.27Å; V719-F789 HydrophobicContact CG2-CG 3.86Å; V719-R806 HydrophobicContact CG2-CB 4.37Å; V719-R806 HydrophobicContact CG2-CG 4.37Å; V719-V808 HydrophobicContact CB-CG2 3.78Å; V719-V808 HydrophobicContact CG1-CB 4.25Å; V719-V808 HydrophobicContact CG1-CG1 4.47Å; V719-V808 HydrophobicContact CG1-CG2 3.66Å |
| 720 | K | 84.4 | Confident | 83 | Confident | 129 Ų | 129 | 40.4 Ų | 40.4 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.3 | 179.4 | -67.1 | 177.1 | 178.4 | 176.1 | 0 | 109.3 | V718 A727 H728 | V718-K720 HydrophobicContact CG1-CD 4.49Å; V718-K720 HydrophobicContact CG1-CG 4.21Å; K720-A727 CarbonylContact O-C 3.43Å; K720-A727 VanDerWaalsContact O-CA 3.29Å; K720-A727 WeakPolarHBondContact O-CA 3.08Å; K720-H728 HydrophobicContact CB-CB 4.48Å; K720-H728 PolarHBondContact N-O 2.84Å; K720-H728 PolarHBondContact O-N 2.9Å |
| 721 | T | 81.4 | Confident | 83.8 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.8 | 175.7 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | V808 M810 | T721-V808 HydrophobicContact CG2-CG1 3.42Å; T721-V808 VanDerWaalsContact CG2-CG1 3.42Å; T721-M810 HydrophobicContact CG2-CE 4.44Å; T721-M810 HydrophobicContact CG2-SD 4.04Å |
| 722 | V | 75.7 | Confident | 84 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -35.2 | -177.7 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | S726 H728 Y777 | V722-S726 PolarHBondContact N-O 3.4Å; V722-H728 HydrophobicContact CG2-CB 3.79Å; V722-Y777 HydrophobicContact CG2-CD1 4.09Å; V722-Y777 HydrophobicContact CG2-CE1 3.98Å |
| 723 | N | 71.6 | Confident | 84.3 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | -178.6 | 167.6 | 52.3 | 62.4 | 0 | 0 | 0 | 108.3 | S725 S726 M810 | N723-S725 PolarHBondContact O-N 2.83Å; N723-S725 PolarHBondContact OD1-N 3.35Å; N723-S725 PolarHBondContact OD1-OG 3.38Å; N723-S726 PolarHBondContact N-O 2.82Å; N723-S726 PolarHBondContact ND2-OG 3Å; N723-S726 PolarHBondContact O-N 3.2Å; N723-S726 VanDerWaalsContact O-O 3.08Å; N723-S726 PolarHBondContact OD1-N 3.39Å; N723-S726 VanDerWaalsContact OD1-N 3.08Å; N723-S726 PolarHBondContact OD1-OG 3.43Å; N723-M810 WeakPolarHBondContact O-CE 3.27Å |
| 724 | S | 75 | Confident | 84.4 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -10.2 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 116.4 | P783 P811 L813 | S724-P783 VanDerWaalsContact O-CA 3.31Å; S724-P783 WeakPolarHBondContact O-CA 3.47Å; S724-P811 VanDerWaalsContact CA-O 3.23Å; S724-P811 WeakPolarHBondContact CA-O 3.3Å; S724-P811 WeakPolarHBondContact CB-O 3.34Å; S724-L813 WeakPolarHBondContact OG-CD2 3.4Å; S724-L813 WeakPolarHBondContact OG-CG 3.47Å |
| 725 | S | 77.8 | Confident | 83.8 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 9.9 | 177.8 | 63.3 | 0 | 0 | 0 | 0 | 115.3 | N723 H779 G780 L781 | N723-S725 PolarHBondContact O-N 2.83Å; N723-S725 PolarHBondContact OD1-N 3.35Å; N723-S725 PolarHBondContact OD1-OG 3.38Å; S725-H779 CarbonylContact O-C 3.6Å; S725-H779 WeakPolarHBondContact O-CA 3.3Å; S725-G780 PolarHBondContact O-N 2.82Å; S725-L781 VanDerWaalsContact CA-O 3.29Å; S725-L781 WeakPolarHBondContact CA-O 3.18Å; S725-L781 WeakPolarHBondContact CB-O 3.28Å; S725-L781 PolarHBondContact O-N 3.39Å; S725-L781 VanDerWaalsContact O-N 3.09Å |
| 726 | S | 79.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 150.2 | 176.7 | 51.5 | 0 | 0 | 0 | 0 | 115.2 | V722 N723 V778 H779 | V722-S726 PolarHBondContact N-O 3.4Å; N723-S726 PolarHBondContact N-O 2.82Å; N723-S726 PolarHBondContact ND2-OG 3Å; N723-S726 PolarHBondContact O-N 3.2Å; N723-S726 VanDerWaalsContact O-O 3.08Å; N723-S726 PolarHBondContact OD1-N 3.39Å; N723-S726 VanDerWaalsContact OD1-N 3.08Å; N723-S726 PolarHBondContact OD1-OG 3.43Å; S726-V778 CarbonylContact C-O 3.55Å; S726-V778 WeakPolarHBondContact CA-O 3.29Å; S726-V778 WeakPolarHBondContact CB-O 3.31Å; S726-H779 VanDerWaalsContact CB-ND1 3.28Å; S726-H779 WeakPolarHBondContact CB-ND1 3.41Å |
| 727 | A | 83.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V719 K720 Y777 V778 L781 F789 | V719-A727 HydrophobicContact CG1-CB 4.09Å; K720-A727 CarbonylContact O-C 3.43Å; K720-A727 VanDerWaalsContact O-CA 3.29Å; K720-A727 WeakPolarHBondContact O-CA 3.08Å; A727-Y777 CarbonylContact O-C 3.59Å; A727-Y777 WeakPolarHBondContact O-CA 3.3Å; A727-V778 PolarHBondContact N-O 3.02Å; A727-V778 PolarHBondContact O-N 3.2Å; A727-L781 HydrophobicContact CB-CD1 4.12Å; A727-F789 HydrophobicContact CB-CE1 4.21Å; A727-F789 HydrophobicContact CB-CZ 3.92Å |
| 728 | H | 89.1 | Confident | 82.2 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 135.1 | 167.7 | 173 | -117.2 | 0 | 0 | 0 | 108.5 | V719 K720 V722 E775 T776 Y777 | V719-H728 CarbonylContact C-O 3.5Å; V719-H728 WeakPolarHBondContact CA-O 3.26Å; K720-H728 HydrophobicContact CB-CB 4.48Å; K720-H728 PolarHBondContact N-O 2.84Å; K720-H728 PolarHBondContact O-N 2.9Å; V722-H728 HydrophobicContact CG2-CB 3.79Å; H728-E775 IonicContact CD2-OE2 3.23Å; H728-E775 IonicContact CE1-OE2 2.98Å; H728-E775 PolarHBondContact CE1-OE2 2.81Å; H728-E775 IonicContact NE2-OE1 2.77Å; H728-E775 IonicContact NE2-OE2 2.69Å; H728-E775 PolarHBondContact NE2-OE2 2.95Å; H728-T776 PolarHBondContact CD2-O 3.07Å; H728-Y777 HydrophobicContact CB-CD1 4.01Å; H728-Y777 HydrophobicContact CB-CE1 3.8Å; H728-Y777 AromaticContact CD2-CE1 3.92Å; H728-Y777 AromaticContact CD2-CE2 3.82Å; H728-Y777 AromaticContact CD2-CZ 3.61Å |
| 729 | V | 90.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125 | -174.8 | -174.9 | 0 | 0 | 0 | 0 | 107.6 | L717 V718 V719 W731 V746 E775 T776 V778 F789 V791 | L717-V729 HydrophobicContact CD1-CG1 3.68Å; V718-V729 CarbonylContact O-C 3.49Å; V718-V729 WeakPolarHBondContact O-CA 3.48Å; V719-V729 HydrophobicContact CG1-CG2 4.36Å; V719-V729 HydrophobicContact CG2-CG1 4.21Å; V719-V729 HydrophobicContact CG2-CG2 4.37Å; V729-W731 HydrophobicContact CB-CZ3 4.3Å; V729-W731 HydrophobicContact CG1-CE3 4.04Å; V729-W731 HydrophobicContact CG1-CZ3 3.87Å; V729-W731 WeakPolarHBondContact O-CZ3 3.46Å; V729-V746 HydrophobicContact CG1-CG1 4.07Å; V729-V746 HydrophobicContact CG2-CG1 4.5Å; V729-E775 CarbonylContact O-C 3.53Å; V729-E775 VanDerWaalsContact O-CA 3.27Å; V729-E775 WeakPolarHBondContact O-CA 3.42Å; V729-T776 HydrophobicContact CB-CG2 4.37Å; V729-T776 PolarHBondContact N-O 2.94Å; V729-T776 PolarHBondContact O-N 2.94Å; V729-V778 HydrophobicContact CG2-CG2 4.01Å; V729-F789 HydrophobicContact CG2-CD1 3.69Å; V729-F789 HydrophobicContact CG2-CE1 3.77Å; V729-V791 HydrophobicContact CG1-CG2 4.28Å |
| 730 | S | 90.6 | Very high | 81.1 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 153.9 | -176.2 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | V718 N774 | V718-S730 PolarHBondContact N-O 3.44Å; V718-S730 PolarHBondContact O-N 3.46Å; S730-N774 CarbonylContact C-O 3.57Å; S730-N774 WeakPolarHBondContact CA-O 3.49Å |
| 731 | W | 93 | Very high | 80.8 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 179.1 | -175.8 | 55.4 | 90.9 | 0 | 0 | 0 | 111.5 | P714 V729 Y744 V746 V769 Q773 N774 T776 V791 | P714-W731 HydrophobicContact CB-CB 4.47Å; P714-W731 HydrophobicContact CB-CG 4.37Å; V729-W731 HydrophobicContact CB-CZ3 4.3Å; V729-W731 HydrophobicContact CG1-CE3 4.04Å; V729-W731 HydrophobicContact CG1-CZ3 3.87Å; V729-W731 WeakPolarHBondContact O-CZ3 3.46Å; W731-Y744 AromaticContact CD1-CD1 3.89Å; W731-Y744 AromaticContact CD1-CE1 3.79Å; W731-Y744 AromaticContact CE2-CD1 3.98Å; W731-Y744 AromaticContact CE2-CG 3.74Å; W731-Y744 HydrophobicContact CZ2-CD1 4.44Å; W731-Y744 HydrophobicContact CZ2-CD2 4.02Å; W731-Y744 AromaticContact CZ2-CG 3.77Å; W731-Y744 HydrophobicContact CZ2-CG 3.77Å; W731-Y744 AromaticContact NE1-CD1 3.18Å; W731-Y744 AromaticContact NE1-CD2 3.5Å; W731-Y744 AromaticContact NE1-CE1 3.38Å; W731-Y744 AromaticContact NE1-CE2 3.71Å; W731-Y744 AromaticContact NE1-CG 3.25Å; W731-Y744 VanDerWaalsContact NE1-CG 3.25Å; W731-Y744 AromaticContact NE1-CZ 3.67Å; W731-V746 HydrophobicContact CH2-CG2 3.61Å; W731-V746 HydrophobicContact CZ3-CG2 3.64Å; W731-V769 HydrophobicContact CH2-CG2 3.75Å; W731-V769 HydrophobicContact CZ2-CG2 3.54Å; W731-Q773 WeakPolarHBondContact CZ2-O 2.98Å; W731-N774 VanDerWaalsContact CD2-O 3.31Å; W731-N774 PolarHBondContact N-O 2.86Å; W731-N774 WeakPolarHBondContact O-CB 3.41Å; W731-N774 PolarHBondContact O-ND2 3.04Å; W731-T776 HydrophobicContact CH2-CG2 4.24Å; W731-T776 HydrophobicContact CZ3-CG2 4.31Å; W731-V791 HydrophobicContact CD2-CG1 4.04Å; W731-V791 HydrophobicContact CD2-CG2 4.4Å; W731-V791 HydrophobicContact CE3-CG1 4.25Å; W731-V791 HydrophobicContact CE3-CG2 3.93Å; W731-V791 HydrophobicContact CZ2-CG1 4.3Å; W731-V791 HydrophobicContact CZ3-CG1 4.48Å; W731-V791 HydrophobicContact CZ3-CG2 4.26Å |
| 732 | R | 86.9 | Confident | 80.7 | Confident | 144 Ų | 144 | 46.5 Ų | 46.5 | 54% | 0.543 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 156.9 | 170.4 | -68.9 | -179.5 | 175.1 | -176.4 | -6.2 | 109.6 | R715 H716 | R715-R732 HydrophobicContact CB-CB 4.06Å; R715-R732 PolarHBondContact N-O 2.82Å; R715-R732 PolarHBondContact O-N 3.09Å; H716-R732 HydrophobicContact CB-CB 4.49Å; H716-R732 HydrophobicContact CB-CG 4.16Å; H716-R732 PolarHBondContact CE1-NH1 2.76Å; H716-R732 VanDerWaalsContact CE1-NH1 3.26Å |
| 733 | E | 83 | Confident | 81.1 | Confident | 79 Ų | 79 | 42.9 Ų | 42.9 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | trans | -60.8 | 152 | -179.2 | -57.5 | -165.2 | 95.4 | 0 | 0 | 113 | R715 K737 Y744 | R715-E733 PolarHBondContact NE-O 2.8Å; R715-E733 PolarHBondContact NH2-O 2.88Å; E733-K737 WeakPolarHBondContact OE1-CE 3.19Å; E733-K737 IonicContact OE1-NZ 3.69Å; E733-K737 PolarHBondContact OE1-NZ 3.17Å; E733-K737 WeakPolarHBondContact OE2-CE 3.29Å; E733-K737 IonicContact OE2-NZ 3.95Å; E733-K737 PolarHBondContact OE2-NZ 2.86Å; E733-Y744 WeakPolarHBondContact CG-OH 3.48Å | ||
| 734 | P | 82.8 | Confident | 82 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -54.9 | 148.5 | 173.7 | -25.3 | 34.5 | 0 | 0 | 0 | 113.9 | G712 A713 P714 H736 A793 | G712-P734 WeakPolarHBondContact O-CB 3.46Å; G712-P734 VanDerWaalsContact O-CG 3.28Å; G712-P734 WeakPolarHBondContact O-CG 3.44Å; A713-P734 VanDerWaalsContact O-CA 3.31Å; A713-P734 WeakPolarHBondContact O-CA 3.42Å; A713-P734 WeakPolarHBondContact O-CB 3.3Å; P714-P734 HydrophobicContact CG-CG 4.48Å; P734-H736 VanDerWaalsContact C-N 3.29Å; P734-A793 HydrophobicContact CG-CB 3.65Å | ||
| 735 | K | 75.7 | Confident | 82.6 | Confident | 160 Ų | 160 | 38.9 Ų | 38.9 | 70% | 0.696 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -62.7 | -38.3 | 172 | -173.3 | -175.7 | 171.3 | -170.3 | 0 | 111.3 | ||
| 736 | H | 74.7 | Confident | 83.1 | Confident | 99 Ų | 99 | 36.4 Ų | 36.4 | 46% | 0.458 | 17% | 0.166 | S | C | . | . | trans | -123.8 | 107 | -179.6 | -56.5 | -72.7 | 0 | 0 | 0 | 108.7 | G712 P734 N738 | G712-H736 WeakPolarHBondContact CA-O 3.44Å; G712-H736 PolarHBondContact N-O 3.4Å; P734-H736 VanDerWaalsContact C-N 3.29Å; H736-N738 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 737 | K | 75.8 | Confident | 83.4 | Confident | 84 Ų | 84 | 36.8 Ų | 36.8 | 37% | 0.365 | 17% | 0.167 | S | C | . | . | trans | -79.9 | -23.4 | -176.5 | -57.9 | -172.3 | -171.5 | -171.7 | 0 | 112.9 | E733 G739 L741 N795 | E733-K737 WeakPolarHBondContact OE1-CE 3.19Å; E733-K737 IonicContact OE1-NZ 3.69Å; E733-K737 PolarHBondContact OE1-NZ 3.17Å; E733-K737 WeakPolarHBondContact OE2-CE 3.29Å; E733-K737 IonicContact OE2-NZ 3.95Å; E733-K737 PolarHBondContact OE2-NZ 2.86Å; K737-G739 PolarHBondContact O-N 2.95Å; K737-L741 HydrophobicContact CB-CD2 4.19Å; K737-L741 HydrophobicContact CB-CG 4.27Å; K737-L741 HydrophobicContact CD-CD1 4.11Å; K737-L741 HydrophobicContact CD-CG 4.27Å; K737-L741 HydrophobicContact CG-CD1 4.26Å; K737-L741 HydrophobicContact CG-CG 4.39Å; K737-N795 PolarHBondContact O-ND2 3.28Å | ||
| 738 | N | 75.8 | Confident | 83.5 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | trans | 51.4 | 14.9 | 176.8 | -63.8 | -1.3 | 0 | 0 | 0 | 115.9 | P679 Y680 D708 D709 V710 H736 | P679-N738 HydrophobicContact CB-CB 4.06Å; Y680-N738 WeakPolarHBondContact CB-O 3.38Å; D708-N738 CarbonylContact C-O 3.56Å; D708-N738 VanDerWaalsContact CA-O 3.32Å; D708-N738 WeakPolarHBondContact CA-O 3.45Å; D709-N738 HydrophobicContact CB-CB 4.25Å; D709-N738 PolarHBondContact N-O 3.38Å; D709-N738 WeakPolarHBondContact O-CB 3.32Å; V710-N738 VanDerWaalsContact O-CB 3.28Å; V710-N738 WeakPolarHBondContact O-CB 3.49Å; V710-N738 PolarHBondContact O-ND2 3.14Å; H736-N738 WeakPolarHBondContact CB-OD1 3.42Å | ||
| 739 | G | 77.4 | Confident | 83.2 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 158.9 | 173.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y680 D708 K737 L741 | Y680-G739 VanDerWaalsContact CG-CA 3.45Å; D708-G739 VanDerWaalsContact OD2-CA 3.23Å; D708-G739 WeakPolarHBondContact OD2-CA 3.48Å; K737-G739 PolarHBondContact O-N 2.95Å; G739-L741 PolarHBondContact O-N 3.43Å |
| 740 | R | 77.8 | Confident | 82.8 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | trans | -77.9 | 111.2 | 176.5 | -163.9 | -174.3 | -167.4 | -148.1 | 8.1 | 109.9 | V742 N795 N1596 L1599 | R740-V742 PolarHBondContact O-N 2.76Å; R740-N795 VanDerWaalsContact O-CB 3.29Å; R740-N795 WeakPolarHBondContact O-CB 3.47Å; R740-N1596 WeakPolarHBondContact CG-ND2 3.29Å; R740-N1596 PolarHBondContact O-ND2 2.88Å; R740-L1599 PolarHBondContact NH1-O 3.26Å; R740-L1599 VanDerWaalsContact NH2-C 3.34Å; R740-L1599 PolarHBondContact NH2-O 2.94Å | ||
| 741 | L | 78.3 | Confident | 82.3 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | trans | -56.4 | 137.4 | 178.9 | -57.5 | -175.2 | 0 | 0 | 0 | 111.6 | P711 K737 G739 Y744 A793 N795 N1596 | P711-L741 HydrophobicContact CB-CD2 3.82Å; P711-L741 HydrophobicContact CG-CD2 3.6Å; K737-L741 HydrophobicContact CB-CD2 4.19Å; K737-L741 HydrophobicContact CB-CG 4.27Å; K737-L741 HydrophobicContact CD-CD1 4.11Å; K737-L741 HydrophobicContact CD-CG 4.27Å; K737-L741 HydrophobicContact CG-CD1 4.26Å; K737-L741 HydrophobicContact CG-CG 4.39Å; G739-L741 PolarHBondContact O-N 3.43Å; L741-Y744 WeakPolarHBondContact CD1-OH 3.48Å; L741-A793 HydrophobicContact CD1-CB 4.44Å; L741-A793 HydrophobicContact CD2-CB 4.07Å; L741-N795 HydrophobicContact CD2-CB 4.47Å; L741-N1596 PolarHBondContact O-ND2 3.13Å | ||
| 742 | V | 80.3 | Confident | 81.7 | Confident | 44 Ų | 44 | 42.6 Ų | 42.6 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | trans | -100.4 | -38.3 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | R740 G771 Y794 N1596 | R740-V742 PolarHBondContact O-N 2.76Å; V742-G771 PolarHBondContact O-N 2.9Å; V742-Y794 HydrophobicContact CB-CD2 3.83Å; V742-Y794 HydrophobicContact CB-CE2 3.73Å; V742-Y794 HydrophobicContact CG1-CD2 4.13Å; V742-Y794 HydrophobicContact CG1-CE2 3.54Å; V742-Y794 PolarHBondContact N-O 2.78Å; V742-N1596 HydrophobicContact CG2-CB 4.09Å; V742-N1596 VanDerWaalsContact CG2-CG 3.44Å; V742-N1596 WeakPolarHBondContact CG2-ND2 3.41Å | ||
| 743 | G | 84 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | -172.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V769 A793 Y794 | G743-V769 CarbonylContact C-O 3.55Å; G743-V769 WeakPolarHBondContact CA-O 3.48Å; G743-A793 CarbonylContact O-C 3.26Å; G743-A793 WeakPolarHBondContact O-CA 3.38Å; G743-Y794 VanDerWaalsContact CA-CE1 3.49Å; G743-Y794 PolarHBondContact N-O 3.18Å; G743-Y794 VanDerWaalsContact O-CD1 3.25Å; G743-Y794 WeakPolarHBondContact O-CD1 3.32Å; G743-Y794 PolarHBondContact O-N 2.75Å |
| 744 | Y | 90.6 | Very high | 80.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 147.5 | 173 | -61.6 | -89.1 | 0 | 0 | 0 | 110.4 | P714 W731 E733 L741 R768 V769 Q773 V791 N792 A793 | P714-Y744 HydrophobicContact CB-CD1 4.47Å; P714-Y744 HydrophobicContact CB-CE1 4.28Å; P714-Y744 HydrophobicContact CG-CD1 3.94Å; P714-Y744 HydrophobicContact CG-CE1 4.02Å; W731-Y744 AromaticContact CD1-CD1 3.89Å; W731-Y744 AromaticContact CD1-CE1 3.79Å; W731-Y744 AromaticContact CE2-CD1 3.98Å; W731-Y744 AromaticContact CE2-CG 3.74Å; W731-Y744 HydrophobicContact CZ2-CD1 4.44Å; W731-Y744 HydrophobicContact CZ2-CD2 4.02Å; W731-Y744 AromaticContact CZ2-CG 3.77Å; W731-Y744 HydrophobicContact CZ2-CG 3.77Å; W731-Y744 AromaticContact NE1-CD1 3.18Å; W731-Y744 AromaticContact NE1-CD2 3.5Å; W731-Y744 AromaticContact NE1-CE1 3.38Å; W731-Y744 AromaticContact NE1-CE2 3.71Å; W731-Y744 AromaticContact NE1-CG 3.25Å; W731-Y744 VanDerWaalsContact NE1-CG 3.25Å; W731-Y744 AromaticContact NE1-CZ 3.67Å; E733-Y744 WeakPolarHBondContact CG-OH 3.48Å; L741-Y744 WeakPolarHBondContact CD1-OH 3.48Å; Y744-R768 CarbonylContact O-C 3.56Å; Y744-R768 VanDerWaalsContact O-CA 3.29Å; Y744-R768 WeakPolarHBondContact O-CA 3.48Å; Y744-V769 HydrophobicContact CD2-CG2 4.4Å; Y744-V769 PolarHBondContact N-O 3.25Å; Y744-V769 PolarHBondContact O-N 2.93Å; Y744-Q773 VanDerWaalsContact CD2-O 3.25Å; Y744-Q773 WeakPolarHBondContact CD2-O 3.42Å; Y744-V791 HydrophobicContact CD1-CG1 4.31Å; Y744-N792 CarbonylContact C-O 3.57Å; Y744-N792 VanDerWaalsContact CA-O 3.31Å; Y744-N792 WeakPolarHBondContact CA-O 3.42Å; Y744-A793 HydrophobicContact CD1-CB 3.73Å; Y744-A793 HydrophobicContact CE1-CB 3.59Å |
| 745 | S | 87.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 110.3 | -178.5 | -70.3 | 0 | 0 | 0 | 0 | 109.2 | F747 R768 V791 N792 Y794 | S745-F747 WeakPolarHBondContact O-CD2 3.26Å; S745-R768 WeakPolarHBondContact OG-CG 3.31Å; S745-R768 PolarHBondContact OG-NE 2.74Å; S745-R768 PolarHBondContact OG-NH1 3.07Å; S745-V791 WeakPolarHBondContact O-CA 3.48Å; S745-N792 VanDerWaalsContact CB-OD1 3.28Å; S745-N792 WeakPolarHBondContact CB-OD1 3.46Å; S745-N792 PolarHBondContact N-O 2.84Å; S745-N792 PolarHBondContact O-N 2.83Å; S745-N792 VanDerWaalsContact O-N 3.17Å; S745-N792 PolarHBondContact O-OD1 3.47Å; S745-Y794 WeakPolarHBondContact OG-CD1 3.42Å; S745-Y794 WeakPolarHBondContact OG-CE1 3.41Å |
| 746 | V | 88 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.1 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | V729 W731 V748 P765 A766 R767 T776 V778 V791 | V729-V746 HydrophobicContact CG1-CG1 4.07Å; V729-V746 HydrophobicContact CG2-CG1 4.5Å; W731-V746 HydrophobicContact CH2-CG2 3.61Å; W731-V746 HydrophobicContact CZ3-CG2 3.64Å; V746-V748 HydrophobicContact CG1-CG2 4.31Å; V746-P765 CarbonylContact O-C 3.48Å; V746-P765 VanDerWaalsContact O-CA 3.29Å; V746-P765 WeakPolarHBondContact O-CA 3.23Å; V746-P765 VanDerWaalsContact O-CB 3.24Å; V746-P765 WeakPolarHBondContact O-CB 3.31Å; V746-A766 PolarHBondContact O-N 3.07Å; V746-R767 PolarHBondContact N-O 3.44Å; V746-R767 PolarHBondContact O-N 2.82Å; V746-R767 VanDerWaalsContact O-N 3.16Å; V746-T776 HydrophobicContact CG2-CG2 3.85Å; V746-V778 HydrophobicContact CG1-CG2 4.13Å; V746-V791 HydrophobicContact CB-CG2 4.38Å; V746-V791 HydrophobicContact CG1-CG2 4.23Å; V746-V791 HydrophobicContact CG2-CG1 4.17Å; V746-V791 HydrophobicContact CG2-CG2 3.95Å |
| 747 | F | 86 | Confident | 78.9 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 144.5 | 174.6 | -67.2 | -107.4 | 0 | 0 | 0 | 109.8 | S745 V762 H764 P765 F789 R790 F802 | S745-F747 WeakPolarHBondContact O-CD2 3.26Å; F747-V762 HydrophobicContact CD1-CG1 3.63Å; F747-V762 HydrophobicContact CE1-CG1 4.24Å; F747-V762 HydrophobicContact CG-CG1 4.4Å; F747-H764 WeakPolarHBondContact CD1-O 3.45Å; F747-P765 HydrophobicContact CD1-CB 4.4Å; F747-P765 HydrophobicContact CD2-CB 3.93Å; F747-P765 HydrophobicContact CE1-CB 4.31Å; F747-P765 HydrophobicContact CE2-CB 3.83Å; F747-P765 HydrophobicContact CE2-CG 4.41Å; F747-P765 HydrophobicContact CG-CB 4.24Å; F747-P765 HydrophobicContact CZ-CB 4.03Å; F747-P765 HydrophobicContact CZ-CG 4.28Å; F747-F789 WeakPolarHBondContact O-CA 3.46Å; F747-R790 HydrophobicContact CB-CG 4.04Å; F747-R790 PolarHBondContact N-O 3.31Å; F747-R790 PolarHBondContact O-N 3.11Å; F747-F802 AromaticContact CD2-CE1 3.46Å; F747-F802 HydrophobicContact CD2-CE1 3.46Å; F747-F802 VanDerWaalsContact CD2-CE1 3.46Å; F747-F802 HydrophobicContact CD2-CZ 4Å; F747-F802 AromaticContact CE2-CE1 3.55Å; F747-F802 HydrophobicContact CE2-CE1 3.55Å; F747-F802 AromaticContact CE2-CZ 3.76Å; F747-F802 HydrophobicContact CE2-CZ 3.76Å; F747-F802 HydrophobicContact CG-CE1 4.22Å; F747-F802 HydrophobicContact CZ-CE1 4.37Å; F747-F802 HydrophobicContact CZ-CZ 4.14Å |
| 748 | V | 85.8 | Confident | 78.5 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.3 | -178.9 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | V746 A766 V778 L781 Y787 S788 F789 | V746-V748 HydrophobicContact CG1-CG2 4.31Å; V748-A766 HydrophobicContact CB-CB 4.05Å; V748-A766 HydrophobicContact CG2-CB 3.84Å; V748-V778 HydrophobicContact CG2-CG1 4.15Å; V748-V778 HydrophobicContact CG2-CG2 4.11Å; V748-L781 HydrophobicContact CG1-CD2 4.02Å; V748-Y787 HydrophobicContact CG1-CD1 3.65Å; V748-Y787 HydrophobicContact CG1-CG 4.02Å; V748-S788 CarbonylContact C-O 3.6Å; V748-S788 VanDerWaalsContact CA-O 3.31Å; V748-S788 WeakPolarHBondContact CA-O 3.41Å; V748-F789 HydrophobicContact CB-CD1 4.47Å; V748-F789 HydrophobicContact CG1-CD1 4.27Å; V748-F789 HydrophobicContact CG1-CE1 4.03Å; V748-F789 HydrophobicContact CG1-CE2 4.3Å; V748-F789 HydrophobicContact CG1-CZ 4.04Å; V748-F789 HydrophobicContact CG2-CD1 3.43Å; V748-F789 VanDerWaalsContact CG2-CD1 3.43Å; V748-F789 HydrophobicContact CG2-CE1 3.58Å; V748-F789 HydrophobicContact CG2-CG 4.16Å; V748-F789 HydrophobicContact CG2-CZ 4.41Å |
| 749 | E | 82.2 | Confident | 77.7 | Confident | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.9 | -172.7 | -70.3 | 161.3 | -142.2 | 0 | 0 | 108.8 | P757 V762 Y787 S788 R790 | E749-P757 HydrophobicContact CB-CB 4.36Å; E749-P757 HydrophobicContact CB-CG 4.49Å; E749-V762 VanDerWaalsContact CD-CG2 3.48Å; E749-V762 HydrophobicContact CG-CG1 4.45Å; E749-V762 HydrophobicContact CG-CG2 3.79Å; E749-V762 WeakPolarHBondContact OE1-CG1 3.37Å; E749-V762 WeakPolarHBondContact OE1-CG2 3.2Å; E749-Y787 CarbonylContact O-C 3.55Å; E749-Y787 VanDerWaalsContact O-CA 3.26Å; E749-Y787 WeakPolarHBondContact O-CA 3.45Å; E749-S788 PolarHBondContact N-O 3.46Å; E749-S788 PolarHBondContact O-N 3.05Å; E749-R790 IonicContact OE1-CZ 3.02Å; E749-R790 IonicContact OE1-NE 3.95Å; E749-R790 PolarHBondContact OE1-NE 2.96Å; E749-R790 IonicContact OE1-NH2 2.78Å; E749-R790 PolarHBondContact OE1-NH2 2.83Å; E749-R790 IonicContact OE2-NH2 3.54Å |
| 750 | E | 83.7 | Confident | 76.2 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.6 | 175.9 | -160.2 | 172.6 | 122.4 | 0 | 0 | 109.8 | P757 I758 K782 A785 Y787 | E750-P757 CarbonylContact O-C 3.55Å; E750-P757 WeakPolarHBondContact O-CA 3.45Å; E750-I758 HydrophobicContact CB-CD1 4.38Å; E750-I758 HydrophobicContact CG-CD1 3.95Å; E750-I758 PolarHBondContact O-N 2.94Å; E750-K782 WeakPolarHBondContact OE1-CD 3.22Å; E750-K782 IonicContact OE1-NZ 3.01Å; E750-K782 PolarHBondContact OE1-NZ 2.89Å; E750-K782 WeakPolarHBondContact OE2-CD 3.2Å; E750-K782 WeakPolarHBondContact OE2-CE 3.04Å; E750-K782 IonicContact OE2-NZ 3.51Å; E750-K782 PolarHBondContact OE2-NZ 3.25Å; E750-A785 HydrophobicContact CG-CB 4.38Å; E750-Y787 HydrophobicContact CB-CD1 3.9Å; E750-Y787 HydrophobicContact CB-CE1 3.47Å; E750-Y787 VanDerWaalsContact CB-CE1 3.47Å; E750-Y787 HydrophobicContact CG-CD1 4.12Å; E750-Y787 HydrophobicContact CG-CE1 3.5Å; E750-Y787 VanDerWaalsContact CG-CE1 3.5Å; E750-Y787 PolarHBondContact OE2-OH 2.98Å |
| 751 | L | 79.9 | Confident | 74.3 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.094 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 145.4 | -176.7 | -51.4 | -177.7 | 0 | 0 | 0 | 111.8 | F756 P757 N786 T807 | L751-F756 CarbonylContact C-O 3.57Å; L751-F756 VanDerWaalsContact CA-O 3.29Å; L751-F756 WeakPolarHBondContact CA-O 3.16Å; L751-P757 HydrophobicContact CD2-CB 4.49Å; L751-P757 HydrophobicContact CD2-CG 4.07Å; L751-N786 HydrophobicContact CB-CB 3.99Å; L751-N786 PolarHBondContact N-O 2.82Å; L751-T807 HydrophobicContact CD1-CG2 3.62Å |
| 752 | D | 78.9 | Confident | 72.7 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | trans | -77.9 | -169.7 | 171.8 | 63.9 | 24 | 0 | 0 | 0 | 113 | E754 G755 F756 I758 | D752-E754 VanDerWaalsContact C-N 3.29Å; D752-E754 WeakPolarHBondContact OD1-CA 3.26Å; D752-E754 PolarHBondContact OD1-N 2.84Å; D752-G755 PolarHBondContact O-N 2.98Å; D752-G755 PolarHBondContact OD1-N 2.73Å; D752-F756 PolarHBondContact N-O 2.79Å; D752-F756 PolarHBondContact OD1-N 2.77Å; D752-I758 HydrophobicContact CB-CG1 3.95Å | ||
| 753 | E | 70.8 | Confident | 71.2 | Confident | 203 Ų | 203 | 58 Ų | 58 | 95% | 0.949 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -72.6 | -19.3 | 178.9 | -60.8 | -174.7 | 175.2 | 0 | 0 | 113.3 | ||
| 754 | E | 72.7 | Confident | 69.7 | Low | 163 Ų | 163 | 59.4 Ų | 59.4 | 76% | 0.762 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -92.4 | -15.6 | 176.7 | -62.1 | -171.7 | 177.7 | 0 | 0 | 112.3 | D752 F756 | D752-E754 VanDerWaalsContact C-N 3.29Å; D752-E754 WeakPolarHBondContact OD1-CA 3.26Å; D752-E754 PolarHBondContact OD1-N 2.84Å; E754-F756 HydrophobicContact CB-CD2 3.69Å; E754-F756 HydrophobicContact CB-CE2 3.78Å; E754-F756 WeakPolarHBondContact OE2-CE2 3.19Å |
| 755 | G | 67.2 | Low | 68.6 | Low | 39 Ų | 39 | 60.7 Ų | 60.7 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 100.1 | 9.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D752 | D752-G755 PolarHBondContact O-N 2.98Å; D752-G755 PolarHBondContact OD1-N 2.73Å |
| 756 | F | 67.8 | Low | 67.8 | Low | 125 Ų | 125 | 63.4 Ų | 63.4 | 55% | 0.548 | 34% | 0.344 | S | S | . | . | trans | -91.2 | 150.7 | 177.7 | -57.1 | -69.1 | 0 | 0 | 0 | 111.9 | L751 D752 E754 I758 | L751-F756 CarbonylContact C-O 3.57Å; L751-F756 VanDerWaalsContact CA-O 3.29Å; L751-F756 WeakPolarHBondContact CA-O 3.16Å; D752-F756 PolarHBondContact N-O 2.79Å; D752-F756 PolarHBondContact OD1-N 2.77Å; E754-F756 HydrophobicContact CB-CD2 3.69Å; E754-F756 HydrophobicContact CB-CE2 3.78Å; E754-F756 WeakPolarHBondContact OE2-CE2 3.19Å; F756-I758 PolarHBondContact O-N 2.81Å | ||
| 757 | P | 66.7 | Low | 67.5 | Low | 54 Ų | 54 | 68.1 Ų | 68.1 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 123.7 | 175.6 | -24.1 | 35.3 | 0 | 0 | 0 | 113.4 | E749 E750 L751 E759 | E749-P757 HydrophobicContact CB-CB 4.36Å; E749-P757 HydrophobicContact CB-CG 4.49Å; E750-P757 CarbonylContact O-C 3.55Å; E750-P757 WeakPolarHBondContact O-CA 3.45Å; L751-P757 HydrophobicContact CD2-CB 4.49Å; L751-P757 HydrophobicContact CD2-CG 4.07Å; P757-E759 PolarHBondContact O-N 2.95Å |
| 758 | I | 68.6 | Low | 67.4 | Low | 95 Ų | 95 | 71.8 Ų | 71.8 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -61.8 | -31.1 | -178.9 | -62.4 | 176.2 | 0 | 0 | 0 | 112.2 | E750 D752 F756 | E750-I758 HydrophobicContact CB-CD1 4.38Å; E750-I758 HydrophobicContact CG-CD1 3.95Å; E750-I758 PolarHBondContact O-N 2.94Å; D752-I758 HydrophobicContact CB-CG1 3.95Å; F756-I758 PolarHBondContact O-N 2.81Å |
| 759 | E | 57.9 | Low | 67.2 | Low | 138 Ų | 138 | 70.6 Ų | 70.6 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -118.6 | 118.6 | 171 | -70.8 | -170.8 | -172.7 | 0 | 0 | 110.6 | P757 I761 | P757-E759 PolarHBondContact O-N 2.95Å; E759-I761 PolarHBondContact O-N 2.84Å |
| 760 | S | 45.3 | Very low | 67 | Low | 98 Ų | 98 | 77.4 Ų | 77.4 | 69% | 0.685 | 39% | 0.392 | S | S | * | . | trans | -70.7 | 18.2 | 179.5 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | N277 | N277-S760 PolarHBondContact ND2-O 2.88Å; N277-S760 VanDerWaalsContact ND2-O 3.11Å | ||
| 761 | I | 39.5 | Very low | 66.5 | Low | 73 Ų | 73 | 76 Ų | 76 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | trans | -117.6 | 46.4 | -162.3 | -35.5 | -173.7 | 0 | 0 | 0 | 112.7 | R201 E759 S763 | R201-I761 VanDerWaalsContact CZ-CG2 3.46Å; R201-I761 VanDerWaalsContact NH2-CG2 3.26Å; E759-I761 PolarHBondContact O-N 2.84Å; I761-S763 PolarHBondContact O-N 2.79Å; I761-S763 PolarHBondContact O-OG 2.74Å | ||
| 762 | V | 43.5 | Very low | 66.3 | Low | 35 Ų | 35 | 81 Ų | 81 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | trans | -61.2 | 99.9 | 170.3 | -161.2 | 0 | 0 | 0 | 0 | 109.1 | F747 E749 | F747-V762 HydrophobicContact CD1-CG1 3.63Å; F747-V762 HydrophobicContact CE1-CG1 4.24Å; F747-V762 HydrophobicContact CG-CG1 4.4Å; E749-V762 VanDerWaalsContact CD-CG2 3.48Å; E749-V762 HydrophobicContact CG-CG1 4.45Å; E749-V762 HydrophobicContact CG-CG2 3.79Å; E749-V762 WeakPolarHBondContact OE1-CG1 3.37Å; E749-V762 WeakPolarHBondContact OE1-CG2 3.2Å | ||
| 763 | S | 48.3 | Very low | 66.1 | Low | 5 Ų | 5 | 82.3 Ų | 82.3 | 4% | 0.035 | 42% | 0.421 | C | S | . | . | trans | -147.2 | -12.9 | -170.7 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | R201 I761 | R201-S763 VanDerWaalsContact CZ-OG 3.31Å; R201-S763 PolarHBondContact NE-OG 2.94Å; R201-S763 VanDerWaalsContact NE-OG 3.1Å; R201-S763 PolarHBondContact NH2-OG 2.72Å; I761-S763 PolarHBondContact O-N 2.79Å; I761-S763 PolarHBondContact O-OG 2.74Å | ||
| 764 | H | 53.7 | Low | 66.7 | Low | 30 Ų | 30 | 76.6 Ų | 76.6 | 14% | 0.139 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -140 | 134 | 177.3 | -59.6 | 109.3 | 0 | 0 | 0 | 109.2 | R198 V199 F747 | R198-H764 VanDerWaalsContact CD-ND1 3.27Å; R198-H764 WeakPolarHBondContact CD-ND1 3.24Å; R198-H764 HydrophobicContact CG-CB 4.34Å; V199-H764 PolarHBondContact N-NE2 3.21Å; V199-H764 PolarHBondContact O-NE2 3.48Å; F747-H764 WeakPolarHBondContact CD1-O 3.45Å |
| 765 | P | 67.3 | Low | 67.5 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | trans | -64.9 | 142.9 | 169.8 | 26.4 | -31.8 | 0 | 0 | 0 | 110 | V746 F747 R767 R768 | V746-P765 CarbonylContact O-C 3.48Å; V746-P765 VanDerWaalsContact O-CA 3.29Å; V746-P765 WeakPolarHBondContact O-CA 3.23Å; V746-P765 VanDerWaalsContact O-CB 3.24Å; V746-P765 WeakPolarHBondContact O-CB 3.31Å; F747-P765 HydrophobicContact CD1-CB 4.4Å; F747-P765 HydrophobicContact CD2-CB 3.93Å; F747-P765 HydrophobicContact CE1-CB 4.31Å; F747-P765 HydrophobicContact CE2-CB 3.83Å; F747-P765 HydrophobicContact CE2-CG 4.41Å; F747-P765 HydrophobicContact CG-CB 4.24Å; F747-P765 HydrophobicContact CZ-CB 4.03Å; F747-P765 HydrophobicContact CZ-CG 4.28Å; P765-R767 PolarHBondContact O-N 3.25Å; P765-R768 HydrophobicContact CB-CG 4.36Å; P765-R768 HydrophobicContact CG-CG 3.56Å | ||
| 766 | A | 70.5 | Confident | 68.5 | Low | 58 Ų | 58 | 71.6 Ų | 71.6 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -65.3 | -25.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | V746 V748 V778 | V746-A766 PolarHBondContact O-N 3.07Å; V748-A766 HydrophobicContact CB-CB 4.05Å; V748-A766 HydrophobicContact CG2-CB 3.84Å; A766-V778 HydrophobicContact CB-CG1 4.23Å |
| 767 | R | 80.8 | Confident | 69.3 | Low | 99 Ų | 99 | 70.2 Ų | 70.2 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 133.9 | 169.5 | -166.7 | 156.9 | 176.4 | -174.1 | -7.6 | 111.5 | V746 P765 V769 T776 Y777 | V746-R767 PolarHBondContact N-O 3.44Å; V746-R767 PolarHBondContact O-N 2.82Å; V746-R767 VanDerWaalsContact O-N 3.16Å; P765-R767 PolarHBondContact O-N 3.25Å; R767-V769 HydrophobicContact CG-CG1 4.36Å; R767-T776 HydrophobicContact CB-CG2 4.38Å; R767-T776 WeakPolarHBondContact CD-OG1 3.32Å; R767-T776 HydrophobicContact CG-CG2 4.37Å; R767-T776 PolarHBondContact NE-OG1 2.56Å; R767-T776 PolarHBondContact NH1-OG1 2.93Å; R767-Y777 VanDerWaalsContact CD-O 3.25Å; R767-Y777 WeakPolarHBondContact CD-O 3.46Å; R767-Y777 PolarHBondContact NH1-O 2.71Å |
| 768 | R | 84 | Confident | 70 | Confident | 90 Ų | 90 | 68 Ų | 68 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 147.2 | 160.5 | -66.5 | -160.1 | 179.3 | -120.8 | -3.8 | 109.8 | Y744 S745 P765 Y794 D799 | Y744-R768 CarbonylContact O-C 3.56Å; Y744-R768 VanDerWaalsContact O-CA 3.29Å; Y744-R768 WeakPolarHBondContact O-CA 3.48Å; S745-R768 WeakPolarHBondContact OG-CG 3.31Å; S745-R768 PolarHBondContact OG-NE 2.74Å; S745-R768 PolarHBondContact OG-NH1 3.07Å; P765-R768 HydrophobicContact CB-CG 4.36Å; P765-R768 HydrophobicContact CG-CG 3.56Å; R768-Y794 HydrophobicContact CG-CE1 4.4Å; R768-D799 IonicContact CZ-OD1 2.77Å; R768-D799 IonicContact CZ-OD2 2.79Å; R768-D799 IonicContact NH1-OD1 2.65Å; R768-D799 PolarHBondContact NH1-OD1 2.87Å; R768-D799 IonicContact NH1-OD2 3.62Å; R768-D799 IonicContact NH2-OD1 2.69Å; R768-D799 PolarHBondContact NH2-OD1 2.95Å; R768-D799 VanDerWaalsContact NH2-OD1 3.13Å; R768-D799 IonicContact NH2-OD2 3.8Å; R768-D799 PolarHBondContact NH2-OD2 3.21Å |
| 769 | V | 81.7 | Confident | 70.5 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 6% | 0.055 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 164.2 | 170.8 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | W731 G743 Y744 R767 Q773 T776 | W731-V769 HydrophobicContact CH2-CG2 3.75Å; W731-V769 HydrophobicContact CZ2-CG2 3.54Å; G743-V769 CarbonylContact C-O 3.55Å; G743-V769 WeakPolarHBondContact CA-O 3.48Å; Y744-V769 HydrophobicContact CD2-CG2 4.4Å; Y744-V769 PolarHBondContact N-O 3.25Å; Y744-V769 PolarHBondContact O-N 2.93Å; R767-V769 HydrophobicContact CG-CG1 4.36Å; V769-Q773 HydrophobicContact CB-CB 3.89Å; V769-Q773 HydrophobicContact CG2-CB 4.02Å; V769-Q773 WeakPolarHBondContact CG2-O 3.38Å; V769-T776 HydrophobicContact CG1-CG2 4.47Å; V769-T776 WeakPolarHBondContact CG1-OG1 3.44Å |
| 770 | R | 79.1 | Confident | 71.3 | Confident | 165 Ų | 165 | 65 Ų | 65 | 62% | 0.623 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 165.2 | -176.9 | -59.7 | 178.8 | -178.4 | -171.5 | -2.9 | 112.7 | D772 Q773 | R770-D772 WeakPolarHBondContact CB-OD1 3.27Å; R770-D772 PolarHBondContact O-N 2.83Å; R770-Q773 HydrophobicContact CB-CG 4.22Å; R770-Q773 WeakPolarHBondContact O-CB 3.43Å; R770-Q773 PolarHBondContact O-N 2.82Å |
| 771 | G | 72.9 | Confident | 72.9 | Confident | 17 Ų | 17 | 61 Ų | 61 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V742 | V742-G771 PolarHBondContact O-N 2.9Š|
| 772 | D | 74.2 | Confident | 74.5 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.4 | 171.7 | 59.8 | -41.7 | 0 | 0 | 0 | 113.5 | R770 | R770-D772 WeakPolarHBondContact CB-OD1 3.27Å; R770-D772 PolarHBondContact O-N 2.83Å |
| 773 | Q | 76 | Confident | 75.9 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | trans | -102.7 | 108.6 | -176.8 | -65.3 | -174 | -48.5 | 0 | 0 | 111.3 | W731 Y744 V769 R770 | W731-Q773 WeakPolarHBondContact CZ2-O 2.98Å; Y744-Q773 VanDerWaalsContact CD2-O 3.25Å; Y744-Q773 WeakPolarHBondContact CD2-O 3.42Å; V769-Q773 HydrophobicContact CB-CB 3.89Å; V769-Q773 HydrophobicContact CG2-CB 4.02Å; V769-Q773 WeakPolarHBondContact CG2-O 3.38Å; R770-Q773 HydrophobicContact CB-CG 4.22Å; R770-Q773 WeakPolarHBondContact O-CB 3.43Å; R770-Q773 PolarHBondContact O-N 2.82Å | ||
| 774 | N | 83.1 | Confident | 77.2 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | trans | -96.2 | 6.7 | 178.3 | 70 | -32.4 | 0 | 0 | 0 | 113.9 | S730 W731 | S730-N774 CarbonylContact C-O 3.57Å; S730-N774 WeakPolarHBondContact CA-O 3.49Å; W731-N774 VanDerWaalsContact CD2-O 3.31Å; W731-N774 PolarHBondContact N-O 2.86Å; W731-N774 WeakPolarHBondContact O-CB 3.41Å; W731-N774 PolarHBondContact O-ND2 3.04Å | ||
| 775 | E | 88.8 | Confident | 78.5 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 161.3 | 175.4 | 62.8 | 157.7 | -142.6 | 0 | 0 | 113.5 | H728 V729 | H728-E775 IonicContact CD2-OE2 3.23Å; H728-E775 IonicContact CE1-OE2 2.98Å; H728-E775 PolarHBondContact CE1-OE2 2.81Å; H728-E775 IonicContact NE2-OE1 2.77Å; H728-E775 IonicContact NE2-OE2 2.69Å; H728-E775 PolarHBondContact NE2-OE2 2.95Å; V729-E775 CarbonylContact O-C 3.53Å; V729-E775 VanDerWaalsContact O-CA 3.27Å; V729-E775 WeakPolarHBondContact O-CA 3.42Å |
| 776 | T | 88 | Confident | 79.2 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 176 | 178.1 | -145.1 | 0 | 0 | 0 | 0 | 113.4 | H728 V729 W731 V746 R767 V769 | H728-T776 PolarHBondContact CD2-O 3.07Å; V729-T776 HydrophobicContact CB-CG2 4.37Å; V729-T776 PolarHBondContact N-O 2.94Å; V729-T776 PolarHBondContact O-N 2.94Å; W731-T776 HydrophobicContact CH2-CG2 4.24Å; W731-T776 HydrophobicContact CZ3-CG2 4.31Å; V746-T776 HydrophobicContact CG2-CG2 3.85Å; R767-T776 HydrophobicContact CB-CG2 4.38Å; R767-T776 WeakPolarHBondContact CD-OG1 3.32Å; R767-T776 HydrophobicContact CG-CG2 4.37Å; R767-T776 PolarHBondContact NE-OG1 2.56Å; R767-T776 PolarHBondContact NH1-OG1 2.93Å; V769-T776 HydrophobicContact CG1-CG2 4.47Å; V769-T776 WeakPolarHBondContact CG1-OG1 3.44Å |
| 777 | Y | 86.4 | Confident | 79.9 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 38% | 0.376 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.1 | 172 | -66.1 | -101 | 0 | 0 | 0 | 110.6 | V722 A727 H728 R767 H779 | V722-Y777 HydrophobicContact CG2-CD1 4.09Å; V722-Y777 HydrophobicContact CG2-CE1 3.98Å; A727-Y777 CarbonylContact O-C 3.59Å; A727-Y777 WeakPolarHBondContact O-CA 3.3Å; H728-Y777 HydrophobicContact CB-CD1 4.01Å; H728-Y777 HydrophobicContact CB-CE1 3.8Å; H728-Y777 AromaticContact CD2-CE1 3.92Å; H728-Y777 AromaticContact CD2-CE2 3.82Å; H728-Y777 AromaticContact CD2-CZ 3.61Å; R767-Y777 VanDerWaalsContact CD-O 3.25Å; R767-Y777 WeakPolarHBondContact CD-O 3.46Å; R767-Y777 PolarHBondContact NH1-O 2.71Å; Y777-H779 WeakPolarHBondContact CB-NE2 3.4Å |
| 778 | V | 80.9 | Confident | 80.2 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.3 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | S726 A727 V729 V746 V748 A766 L781 F789 | S726-V778 CarbonylContact C-O 3.55Å; S726-V778 WeakPolarHBondContact CA-O 3.29Å; S726-V778 WeakPolarHBondContact CB-O 3.31Å; A727-V778 PolarHBondContact N-O 3.02Å; A727-V778 PolarHBondContact O-N 3.2Å; V729-V778 HydrophobicContact CG2-CG2 4.01Å; V746-V778 HydrophobicContact CG1-CG2 4.13Å; V748-V778 HydrophobicContact CG2-CG1 4.15Å; V748-V778 HydrophobicContact CG2-CG2 4.11Å; A766-V778 HydrophobicContact CB-CG1 4.23Å; V778-L781 HydrophobicContact CG1-CD1 4.41Å; V778-L781 HydrophobicContact CG1-CD2 3.96Å; V778-L781 HydrophobicContact CG1-CG 4.29Å; V778-F789 HydrophobicContact CB-CE1 4.33Å; V778-F789 HydrophobicContact CG2-CE1 4.23Å |
| 779 | H | 78.6 | Confident | 80.5 | Confident | 108 Ų | 108 | 56.8 Ų | 56.8 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 159.1 | -177.5 | -50.7 | -81.7 | 0 | 0 | 0 | 111.2 | S725 S726 Y777 | S725-H779 CarbonylContact O-C 3.6Å; S725-H779 WeakPolarHBondContact O-CA 3.3Å; S726-H779 VanDerWaalsContact CB-ND1 3.28Å; S726-H779 WeakPolarHBondContact CB-ND1 3.41Å; Y777-H779 WeakPolarHBondContact CB-NE2 3.4Å |
| 780 | G | 73.6 | Confident | 80.8 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 63% | 0.629 | 30% | 0.297 | S | S | * | . | trans | 87.6 | 14.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S725 | S725-G780 PolarHBondContact O-N 2.82Š| ||
| 781 | L | 80.2 | Confident | 81.2 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 150.6 | 174.3 | -55.3 | 175.5 | 0 | 0 | 0 | 110.1 | S725 A727 V748 V778 Y787 F789 M810 | S725-L781 VanDerWaalsContact CA-O 3.29Å; S725-L781 WeakPolarHBondContact CA-O 3.18Å; S725-L781 WeakPolarHBondContact CB-O 3.28Å; S725-L781 PolarHBondContact O-N 3.39Å; S725-L781 VanDerWaalsContact O-N 3.09Å; A727-L781 HydrophobicContact CB-CD1 4.12Å; V748-L781 HydrophobicContact CG1-CD2 4.02Å; V778-L781 HydrophobicContact CG1-CD1 4.41Å; V778-L781 HydrophobicContact CG1-CD2 3.96Å; V778-L781 HydrophobicContact CG1-CG 4.29Å; L781-Y787 HydrophobicContact CB-CD2 4.28Å; L781-Y787 HydrophobicContact CB-CE2 3.77Å; L781-Y787 HydrophobicContact CD2-CD1 4.13Å; L781-Y787 HydrophobicContact CD2-CD2 4.21Å; L781-Y787 HydrophobicContact CD2-CE1 4.04Å; L781-Y787 HydrophobicContact CD2-CE2 4.11Å; L781-Y787 HydrophobicContact CD2-CG 4.22Å; L781-Y787 HydrophobicContact CG-CE2 4.44Å; L781-F789 HydrophobicContact CD1-CZ 3.92Å; L781-M810 HydrophobicContact CB-CE 4.06Å; L781-M810 HydrophobicContact CB-CG 4.04Å; L781-M810 HydrophobicContact CB-SD 4.16Å; L781-M810 HydrophobicContact CD1-CE 3.84Å; L781-M810 HydrophobicContact CD1-CG 4.38Å; L781-M810 HydrophobicContact CD1-SD 3.51Å; L781-M810 VanDerWaalsContact CD1-SD 3.51Å; L781-M810 HydrophobicContact CG-SD 4.47Å |
| 782 | K | 73.2 | Confident | 82 | Confident | 110 Ų | 110 | 49.7 Ų | 49.7 | 48% | 0.478 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 135.2 | 176.8 | -66.9 | 173.8 | -172.1 | 143.2 | 0 | 110.8 | E750 A785 Y787 M810 | E750-K782 WeakPolarHBondContact OE1-CD 3.22Å; E750-K782 IonicContact OE1-NZ 3.01Å; E750-K782 PolarHBondContact OE1-NZ 2.89Å; E750-K782 WeakPolarHBondContact OE2-CD 3.2Å; E750-K782 WeakPolarHBondContact OE2-CE 3.04Å; E750-K782 IonicContact OE2-NZ 3.51Å; E750-K782 PolarHBondContact OE2-NZ 3.25Å; K782-A785 HydrophobicContact CB-CB 3.81Å; K782-A785 PolarHBondContact O-N 3.13Å; K782-Y787 WeakPolarHBondContact CB-OH 3.49Å; K782-Y787 WeakPolarHBondContact CG-OH 3.4Å; K782-Y787 PolarHBondContact N-OH 3.23Å; K782-M810 VanDerWaalsContact O-CB 3.27Å; K782-M810 WeakPolarHBondContact O-CB 3.2Å |
| 783 | P | 73.3 | Confident | 82.6 | Confident | 34 Ų | 34 | 43.9 Ų | 43.9 | 22% | 0.221 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 141.1 | 167.5 | -22.6 | 32.9 | 0 | 0 | 0 | 111.4 | S724 A785 P811 L813 F845 | S724-P783 VanDerWaalsContact O-CA 3.31Å; S724-P783 WeakPolarHBondContact O-CA 3.47Å; P783-A785 PolarHBondContact O-N 2.86Å; P783-P811 WeakPolarHBondContact CA-O 3.4Å; P783-L813 HydrophobicContact CB-CB 4.41Å; P783-L813 HydrophobicContact CB-CD1 4.41Å; P783-L813 HydrophobicContact CB-CG 4.06Å; P783-L813 HydrophobicContact CG-CB 4.5Å; P783-L813 HydrophobicContact CG-CD1 3.64Å; P783-L813 HydrophobicContact CG-CG 3.74Å; P783-F845 HydrophobicContact CB-CD1 4.39Å |
| 784 | N | 75.9 | Confident | 82.9 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.4 | 179.5 | -153.4 | 80.5 | 0 | 0 | 0 | 115.3 | M810 P811 A812 | N784-M810 WeakPolarHBondContact CA-O 3.29Å; N784-M810 PolarHBondContact N-O 2.97Å; N784-M810 VanDerWaalsContact N-O 3.09Å; N784-P811 PolarHBondContact N-O 3.42Å; N784-A812 HydrophobicContact CB-CB 3.96Å |
| 785 | A | 79.5 | Confident | 82.8 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | trans | -106.7 | 151.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | E750 K782 P783 Y787 M810 | E750-A785 HydrophobicContact CG-CB 4.38Å; K782-A785 HydrophobicContact CB-CB 3.81Å; K782-A785 PolarHBondContact O-N 3.13Å; P783-A785 PolarHBondContact O-N 2.86Å; A785-Y787 HydrophobicContact CB-CD2 4.45Å; A785-Y787 HydrophobicContact CB-CE2 3.75Å; A785-M810 PolarHBondContact O-N 3.45Å | ||
| 786 | N | 82.6 | Confident | 82.1 | Confident | 59 Ų | 59 | 38.5 Ų | 38.5 | 32% | 0.316 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.3 | 173.8 | -69.7 | -29.4 | 0 | 0 | 0 | 109.8 | L751 S809 | L751-N786 HydrophobicContact CB-CB 3.99Å; L751-N786 PolarHBondContact N-O 2.82Å; N786-S809 WeakPolarHBondContact OD1-CB 3.22Å; N786-S809 PolarHBondContact OD1-OG 3.35Å |
| 787 | Y | 85.9 | Confident | 81.2 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.5 | 176.3 | -72 | -80.7 | 0 | 0 | 0 | 111.8 | V748 E749 E750 L781 K782 A785 T807 V808 M810 | V748-Y787 HydrophobicContact CG1-CD1 3.65Å; V748-Y787 HydrophobicContact CG1-CG 4.02Å; E749-Y787 CarbonylContact O-C 3.55Å; E749-Y787 VanDerWaalsContact O-CA 3.26Å; E749-Y787 WeakPolarHBondContact O-CA 3.45Å; E750-Y787 HydrophobicContact CB-CD1 3.9Å; E750-Y787 HydrophobicContact CB-CE1 3.47Å; E750-Y787 VanDerWaalsContact CB-CE1 3.47Å; E750-Y787 HydrophobicContact CG-CD1 4.12Å; E750-Y787 HydrophobicContact CG-CE1 3.5Å; E750-Y787 VanDerWaalsContact CG-CE1 3.5Å; E750-Y787 PolarHBondContact OE2-OH 2.98Å; L781-Y787 HydrophobicContact CB-CD2 4.28Å; L781-Y787 HydrophobicContact CB-CE2 3.77Å; L781-Y787 HydrophobicContact CD2-CD1 4.13Å; L781-Y787 HydrophobicContact CD2-CD2 4.21Å; L781-Y787 HydrophobicContact CD2-CE1 4.04Å; L781-Y787 HydrophobicContact CD2-CE2 4.11Å; L781-Y787 HydrophobicContact CD2-CG 4.22Å; L781-Y787 HydrophobicContact CG-CE2 4.44Å; K782-Y787 WeakPolarHBondContact CB-OH 3.49Å; K782-Y787 WeakPolarHBondContact CG-OH 3.4Å; K782-Y787 PolarHBondContact N-OH 3.23Å; A785-Y787 HydrophobicContact CB-CD2 4.45Å; A785-Y787 HydrophobicContact CB-CE2 3.75Å; Y787-T807 CarbonylContact O-C 3.59Å; Y787-T807 WeakPolarHBondContact O-CA 3.36Å; Y787-V808 PolarHBondContact N-O 3.38Å; Y787-V808 PolarHBondContact O-N 3.38Å; Y787-M810 HydrophobicContact CD2-CG 3.62Å; Y787-M810 HydrophobicContact CD2-SD 4.48Å; Y787-M810 HydrophobicContact CE2-CG 3.8Å |
| 788 | S | 86.6 | Confident | 80.3 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.8 | 167.2 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | V748 E749 | V748-S788 CarbonylContact C-O 3.6Å; V748-S788 VanDerWaalsContact CA-O 3.31Å; V748-S788 WeakPolarHBondContact CA-O 3.41Å; E749-S788 PolarHBondContact N-O 3.46Å; E749-S788 PolarHBondContact O-N 3.05Å |
| 789 | F | 89.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.4 | 177.3 | -67 | -108.6 | 0 | 0 | 0 | 110.2 | L717 V719 A727 V729 F747 V748 V778 L781 A805 R806 V808 | L717-F789 WeakPolarHBondContact CD2-O 3.49Å; V719-F789 HydrophobicContact CG1-CD1 4.19Å; V719-F789 HydrophobicContact CG1-CD2 3.99Å; V719-F789 HydrophobicContact CG1-CE1 4.12Å; V719-F789 HydrophobicContact CG1-CE2 3.92Å; V719-F789 HydrophobicContact CG1-CG 4.15Å; V719-F789 HydrophobicContact CG1-CZ 3.99Å; V719-F789 HydrophobicContact CG2-CB 3.81Å; V719-F789 HydrophobicContact CG2-CD1 4.2Å; V719-F789 HydrophobicContact CG2-CD2 4.27Å; V719-F789 HydrophobicContact CG2-CG 3.86Å; A727-F789 HydrophobicContact CB-CE1 4.21Å; A727-F789 HydrophobicContact CB-CZ 3.92Å; V729-F789 HydrophobicContact CG2-CD1 3.69Å; V729-F789 HydrophobicContact CG2-CE1 3.77Å; F747-F789 WeakPolarHBondContact O-CA 3.46Å; V748-F789 HydrophobicContact CB-CD1 4.47Å; V748-F789 HydrophobicContact CG1-CD1 4.27Å; V748-F789 HydrophobicContact CG1-CE1 4.03Å; V748-F789 HydrophobicContact CG1-CE2 4.3Å; V748-F789 HydrophobicContact CG1-CZ 4.04Å; V748-F789 HydrophobicContact CG2-CD1 3.43Å; V748-F789 VanDerWaalsContact CG2-CD1 3.43Å; V748-F789 HydrophobicContact CG2-CE1 3.58Å; V748-F789 HydrophobicContact CG2-CG 4.16Å; V748-F789 HydrophobicContact CG2-CZ 4.41Å; V778-F789 HydrophobicContact CB-CE1 4.33Å; V778-F789 HydrophobicContact CG2-CE1 4.23Å; L781-F789 HydrophobicContact CD1-CZ 3.92Å; F789-A805 CarbonylContact O-C 3.57Å; F789-A805 WeakPolarHBondContact O-CA 3.37Å; F789-R806 PolarHBondContact N-O 3.22Å; F789-R806 PolarHBondContact O-N 2.99Å; F789-V808 HydrophobicContact CD2-CB 4.46Å; F789-V808 HydrophobicContact CE2-CB 4.11Å |
| 790 | R | 89 | Confident | 80.2 | Confident | 38 Ų | 38 | 37.6 Ų | 37.6 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 151.5 | 168.8 | 57.2 | 177.6 | 163 | 162.9 | -20.7 | 111.7 | Y254 F747 E749 F802 T803 A805 | Y254-R790 PolarHBondContact OH-NH1 3.12Å; F747-R790 HydrophobicContact CB-CG 4.04Å; F747-R790 PolarHBondContact N-O 3.31Å; F747-R790 PolarHBondContact O-N 3.11Å; E749-R790 IonicContact OE1-CZ 3.02Å; E749-R790 IonicContact OE1-NE 3.95Å; E749-R790 PolarHBondContact OE1-NE 2.96Å; E749-R790 IonicContact OE1-NH2 2.78Å; E749-R790 PolarHBondContact OE1-NH2 2.83Å; E749-R790 IonicContact OE2-NH2 3.54Å; R790-F802 HydrophobicContact CB-CD1 4.24Å; R790-F802 HydrophobicContact CG-CD1 3.94Å; R790-F802 HydrophobicContact CG-CE1 4.35Å; R790-F802 HydrophobicContact CG-CG 4.47Å; R790-T803 WeakPolarHBondContact CA-OG1 3.44Å; R790-A805 HydrophobicContact CB-CB 4.26Å |
| 791 | V | 88.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.1 | -178.1 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | P714 L717 V729 W731 Y744 S745 V746 F802 T803 | P714-V791 WeakPolarHBondContact CD-O 3.37Å; P714-V791 HydrophobicContact CG-CB 4.47Å; P714-V791 HydrophobicContact CG-CG1 4.26Å; L717-V791 HydrophobicContact CD1-CG2 3.66Å; L717-V791 HydrophobicContact CD2-CG2 4.37Å; V729-V791 HydrophobicContact CG1-CG2 4.28Å; W731-V791 HydrophobicContact CD2-CG1 4.04Å; W731-V791 HydrophobicContact CD2-CG2 4.4Å; W731-V791 HydrophobicContact CE3-CG1 4.25Å; W731-V791 HydrophobicContact CE3-CG2 3.93Å; W731-V791 HydrophobicContact CZ2-CG1 4.3Å; W731-V791 HydrophobicContact CZ3-CG1 4.48Å; W731-V791 HydrophobicContact CZ3-CG2 4.26Å; Y744-V791 HydrophobicContact CD1-CG1 4.31Å; S745-V791 WeakPolarHBondContact O-CA 3.48Å; V746-V791 HydrophobicContact CB-CG2 4.38Å; V746-V791 HydrophobicContact CG1-CG2 4.23Å; V746-V791 HydrophobicContact CG2-CG1 4.17Å; V746-V791 HydrophobicContact CG2-CG2 3.95Å; V791-F802 WeakPolarHBondContact O-CA 3.27Å; V791-T803 HydrophobicContact CB-CG2 4.18Å; V791-T803 PolarHBondContact N-OG1 3.4Å; V791-T803 WeakPolarHBondContact O-CG2 3.45Å; V791-T803 PolarHBondContact O-N 3.34Å; V791-T803 PolarHBondContact O-OG1 3.08Å |
| 792 | N | 89.2 | Confident | 80.7 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.7 | 162.7 | 62.7 | -18.9 | 0 | 0 | 0 | 111.4 | Y744 S745 G800 Y801 F802 | Y744-N792 CarbonylContact C-O 3.57Å; Y744-N792 VanDerWaalsContact CA-O 3.31Å; Y744-N792 WeakPolarHBondContact CA-O 3.42Å; S745-N792 VanDerWaalsContact CB-OD1 3.28Å; S745-N792 WeakPolarHBondContact CB-OD1 3.46Å; S745-N792 PolarHBondContact N-O 2.84Å; S745-N792 PolarHBondContact O-N 2.83Å; S745-N792 VanDerWaalsContact O-N 3.17Å; S745-N792 PolarHBondContact O-OD1 3.47Å; N792-G800 VanDerWaalsContact CB-O 3.25Å; N792-G800 WeakPolarHBondContact CB-O 3.49Å; N792-G800 PolarHBondContact ND2-O 2.75Å; N792-Y801 WeakPolarHBondContact CA-O 3.39Å; N792-Y801 WeakPolarHBondContact CB-O 3.48Å; N792-F802 HydrophobicContact CB-CD1 3.63Å; N792-F802 HydrophobicContact CB-CE1 3.78Å; N792-F802 HydrophobicContact CB-CG 4.18Å; N792-F802 HydrophobicContact CB-CZ 4.46Å; N792-F802 WeakPolarHBondContact OD1-CE1 3.3Å |
| 793 | A | 85.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 151.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P711 P714 P734 L741 G743 Y744 G800 | P711-A793 HydrophobicContact CB-CB 3.88Å; P711-A793 HydrophobicContact CG-CB 4.33Å; P714-A793 HydrophobicContact CG-CB 4.25Å; P734-A793 HydrophobicContact CG-CB 3.65Å; L741-A793 HydrophobicContact CD1-CB 4.44Å; L741-A793 HydrophobicContact CD2-CB 4.07Å; G743-A793 CarbonylContact O-C 3.26Å; G743-A793 WeakPolarHBondContact O-CA 3.38Å; Y744-A793 HydrophobicContact CD1-CB 3.73Å; Y744-A793 HydrophobicContact CE1-CB 3.59Å; A793-G800 WeakPolarHBondContact O-CA 3.44Å; A793-G800 PolarHBondContact O-N 2.85Å |
| 794 | Y | 83.4 | Confident | 81.5 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 16% | 0.161 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.1 | 176.1 | 67.1 | -91.3 | 0 | 0 | 0 | 111.7 | V742 G743 S745 R768 G798 D799 | V742-Y794 HydrophobicContact CB-CD2 3.83Å; V742-Y794 HydrophobicContact CB-CE2 3.73Å; V742-Y794 HydrophobicContact CG1-CD2 4.13Å; V742-Y794 HydrophobicContact CG1-CE2 3.54Å; V742-Y794 PolarHBondContact N-O 2.78Å; G743-Y794 VanDerWaalsContact CA-CE1 3.49Å; G743-Y794 PolarHBondContact N-O 3.18Å; G743-Y794 VanDerWaalsContact O-CD1 3.25Å; G743-Y794 WeakPolarHBondContact O-CD1 3.32Å; G743-Y794 PolarHBondContact O-N 2.75Å; S745-Y794 WeakPolarHBondContact OG-CD1 3.42Å; S745-Y794 WeakPolarHBondContact OG-CE1 3.41Å; R768-Y794 HydrophobicContact CG-CE1 4.4Å; Y794-G798 VanDerWaalsContact CA-O 3.29Å; Y794-G798 WeakPolarHBondContact CA-O 3.4Å; Y794-G798 WeakPolarHBondContact CB-O 3.25Å; Y794-D799 VanDerWaalsContact CB-OD1 3.22Å; Y794-D799 WeakPolarHBondContact CB-OD1 3.42Å |
| 795 | N | 81.2 | Confident | 81.8 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | trans | -129.6 | -160.6 | -179.9 | 71 | 15.8 | 0 | 0 | 0 | 111 | D709 P711 K737 R740 L741 K797 G798 | D709-N795 PolarHBondContact O-ND2 3.4Å; P711-N795 HydrophobicContact CG-CB 3.9Å; K737-N795 PolarHBondContact O-ND2 3.28Å; R740-N795 VanDerWaalsContact O-CB 3.29Å; R740-N795 WeakPolarHBondContact O-CB 3.47Å; L741-N795 HydrophobicContact CD2-CB 4.47Å; N795-K797 PolarHBondContact O-N 3.36Å; N795-K797 WeakPolarHBondContact OD1-CB 3.16Å; N795-K797 PolarHBondContact OD1-N 3.07Å; N795-G798 PolarHBondContact N-O 2.86Å; N795-G798 VanDerWaalsContact N-O 3.1Å; N795-G798 PolarHBondContact OD1-N 3.42Å | ||
| 796 | R | 72.9 | Confident | 82.1 | Confident | 97 Ų | 97 | 44.5 Ų | 44.5 | 37% | 0.366 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -64.3 | -23.2 | 179.3 | -63.6 | -176.8 | 179 | -176.5 | -3.4 | 114.1 | R1592 A1595 N1596 | R796-R1592 PolarHBondContact NH2-O 3.4Å; R796-A1595 VanDerWaalsContact NH2-C 3.29Å; R796-A1595 PolarHBondContact NH2-O 3.21Å; R796-N1596 WeakPolarHBondContact CD-OD1 3.38Å; R796-N1596 WeakPolarHBondContact CG-OD1 3.5Å; R796-N1596 PolarHBondContact NE-OD1 3.4Å |
| 797 | K | 69.9 | Low | 82.3 | Confident | 116 Ų | 116 | 45.7 Ų | 45.7 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -90.8 | -36.2 | -176.1 | -66.9 | -84.1 | 173.4 | 152.2 | 0 | 112.9 | D708 V710 N795 | D708-K797 HydrophobicContact CB-CD 4.28Å; D708-K797 HydrophobicContact CB-CG 3.53Å; D708-K797 VanDerWaalsContact O-CD 3.31Å; D708-K797 WeakPolarHBondContact O-CD 3.35Å; D708-K797 WeakPolarHBondContact O-CE 3.33Å; D708-K797 WeakPolarHBondContact O-CG 3.32Å; D708-K797 PolarHBondContact O-NZ 3.05Å; V710-K797 HydrophobicContact CG1-CB 4.49Å; N795-K797 PolarHBondContact O-N 3.36Å; N795-K797 WeakPolarHBondContact OD1-CB 3.16Å; N795-K797 PolarHBondContact OD1-N 3.07Å |
| 798 | G | 67.9 | Low | 82.2 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | trans | 171 | -176 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y794 N795 | Y794-G798 VanDerWaalsContact CA-O 3.29Å; Y794-G798 WeakPolarHBondContact CA-O 3.4Å; Y794-G798 WeakPolarHBondContact CB-O 3.25Å; N795-G798 PolarHBondContact N-O 2.86Å; N795-G798 VanDerWaalsContact N-O 3.1Å; N795-G798 PolarHBondContact OD1-N 3.42Å | ||
| 799 | D | 78.4 | Confident | 82 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.7 | 166.9 | -75.5 | -36.9 | 0 | 0 | 0 | 109 | R768 Y794 | R768-D799 IonicContact CZ-OD1 2.77Å; R768-D799 IonicContact CZ-OD2 2.79Å; R768-D799 IonicContact NH1-OD1 2.65Å; R768-D799 PolarHBondContact NH1-OD1 2.87Å; R768-D799 IonicContact NH1-OD2 3.62Å; R768-D799 IonicContact NH2-OD1 2.69Å; R768-D799 PolarHBondContact NH2-OD1 2.95Å; R768-D799 VanDerWaalsContact NH2-OD1 3.13Å; R768-D799 IonicContact NH2-OD2 3.8Å; R768-D799 PolarHBondContact NH2-OD2 3.21Å; Y794-D799 VanDerWaalsContact CB-OD1 3.22Å; Y794-D799 WeakPolarHBondContact CB-OD1 3.42Å |
| 800 | G | 79.3 | Confident | 81.7 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -164.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P711 N792 A793 | P711-G800 CarbonylContact O-C 3.6Å; P711-G800 VanDerWaalsContact O-CA 3.25Å; P711-G800 WeakPolarHBondContact O-CA 3.4Å; N792-G800 VanDerWaalsContact CB-O 3.25Å; N792-G800 WeakPolarHBondContact CB-O 3.49Å; N792-G800 PolarHBondContact ND2-O 2.75Å; A793-G800 WeakPolarHBondContact O-CA 3.44Å; A793-G800 PolarHBondContact O-N 2.85Å |
| 801 | Y | 79.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 50 Ų | 50 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 151.1 | -177.7 | -62.6 | -84.9 | 0 | 0 | 0 | 113.1 | V710 P711 A713 P714 N792 | V710-Y801 HydrophobicContact CG2-CE2 4.3Å; P711-Y801 WeakPolarHBondContact O-CD2 3.45Å; P711-Y801 PolarHBondContact O-N 3.42Å; A713-Y801 WeakPolarHBondContact CA-O 3.32Å; P714-Y801 WeakPolarHBondContact CD-O 3.34Å; N792-Y801 WeakPolarHBondContact CA-O 3.39Å; N792-Y801 WeakPolarHBondContact CB-O 3.48Å |
| 802 | F | 83 | Confident | 80 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 148.6 | 178.7 | -71.5 | -71.6 | 0 | 0 | 0 | 113.1 | Y254 A713 F747 R790 V791 N792 | Y254-F802 HydrophobicContact CE2-CD2 4.01Å; Y254-F802 HydrophobicContact CE2-CE2 4.39Å; A713-F802 VanDerWaalsContact CB-O 3.32Å; A713-F802 WeakPolarHBondContact CB-O 3.39Å; F747-F802 AromaticContact CD2-CE1 3.46Å; F747-F802 HydrophobicContact CD2-CE1 3.46Å; F747-F802 VanDerWaalsContact CD2-CE1 3.46Å; F747-F802 HydrophobicContact CD2-CZ 4Å; F747-F802 AromaticContact CE2-CE1 3.55Å; F747-F802 HydrophobicContact CE2-CE1 3.55Å; F747-F802 AromaticContact CE2-CZ 3.76Å; F747-F802 HydrophobicContact CE2-CZ 3.76Å; F747-F802 HydrophobicContact CG-CE1 4.22Å; F747-F802 HydrophobicContact CZ-CE1 4.37Å; F747-F802 HydrophobicContact CZ-CZ 4.14Å; R790-F802 HydrophobicContact CB-CD1 4.24Å; R790-F802 HydrophobicContact CG-CD1 3.94Å; R790-F802 HydrophobicContact CG-CE1 4.35Å; R790-F802 HydrophobicContact CG-CG 4.47Å; V791-F802 WeakPolarHBondContact O-CA 3.27Å; N792-F802 HydrophobicContact CB-CD1 3.63Å; N792-F802 HydrophobicContact CB-CE1 3.78Å; N792-F802 HydrophobicContact CB-CG 4.18Å; N792-F802 HydrophobicContact CB-CZ 4.46Å; N792-F802 WeakPolarHBondContact OD1-CE1 3.3Å |
| 803 | T | 86.4 | Confident | 79.2 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 149.8 | 159 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | P714 L717 R790 V791 A805 | P714-T803 HydrophobicContact CB-CG2 3.88Å; P714-T803 HydrophobicContact CG-CG2 4.33Å; P714-T803 VanDerWaalsContact O-CG2 3.3Å; P714-T803 WeakPolarHBondContact O-CG2 3.34Å; L717-T803 HydrophobicContact CB-CG2 3.98Å; L717-T803 HydrophobicContact CD2-CG2 4.31Å; L717-T803 WeakPolarHBondContact CD2-OG1 3.33Å; R790-T803 WeakPolarHBondContact CA-OG1 3.44Å; V791-T803 HydrophobicContact CB-CG2 4.18Å; V791-T803 PolarHBondContact N-OG1 3.4Å; V791-T803 WeakPolarHBondContact O-CG2 3.45Å; V791-T803 PolarHBondContact O-N 3.34Å; V791-T803 PolarHBondContact O-OG1 3.08Å; T803-A805 PolarHBondContact O-N 3.26Å |
| 804 | K | 78.2 | Confident | 78.9 | Confident | 150 Ų | 150 | 54.9 Ų | 54.9 | 65% | 0.652 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -47.8 | 129.7 | 154.6 | -72.6 | -171.5 | -176.4 | -178.1 | 0 | 107.6 | D647 D648 | D647-K804 PolarHBondContact O-NZ 3.37Å; D648-K804 PolarHBondContact O-NZ 3.49Å |
| 805 | A | 81.8 | Confident | 78.9 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 49% | 0.488 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 145.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F789 R790 T803 | F789-A805 CarbonylContact O-C 3.57Å; F789-A805 WeakPolarHBondContact O-CA 3.37Å; R790-A805 HydrophobicContact CB-CB 4.26Å; T803-A805 PolarHBondContact O-N 3.26Å |
| 806 | R | 85.5 | Confident | 79.1 | Confident | 113 Ų | 113 | 54.2 Ų | 54.2 | 43% | 0.426 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 110.9 | -176.9 | -171.1 | 165.6 | -173.1 | 140.5 | 11.7 | 111 | L717 V719 F789 | L717-R806 HydrophobicContact CD2-CB 4.03Å; L717-R806 HydrophobicContact CG-CB 4.29Å; L717-R806 WeakPolarHBondContact O-CD 3.01Å; L717-R806 PolarHBondContact O-NH1 3.12Å; V719-R806 HydrophobicContact CG2-CB 4.37Å; V719-R806 HydrophobicContact CG2-CG 4.37Å; F789-R806 PolarHBondContact N-O 3.22Å; F789-R806 PolarHBondContact O-N 2.99Å |
| 807 | T | 86.7 | Confident | 79.7 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 137.2 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L751 Y787 | L751-T807 HydrophobicContact CD1-CG2 3.62Å; Y787-T807 CarbonylContact O-C 3.59Å; Y787-T807 WeakPolarHBondContact O-CA 3.36Å |
| 808 | V | 83.3 | Confident | 80.7 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 132.9 | 178.9 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | V719 T721 Y787 F789 | V719-V808 HydrophobicContact CB-CG2 3.78Å; V719-V808 HydrophobicContact CG1-CB 4.25Å; V719-V808 HydrophobicContact CG1-CG1 4.47Å; V719-V808 HydrophobicContact CG1-CG2 3.66Å; T721-V808 HydrophobicContact CG2-CG1 3.42Å; T721-V808 VanDerWaalsContact CG2-CG1 3.42Å; Y787-V808 PolarHBondContact N-O 3.38Å; Y787-V808 PolarHBondContact O-N 3.38Å; F789-V808 HydrophobicContact CD2-CB 4.46Å; F789-V808 HydrophobicContact CE2-CB 4.11Å |
| 809 | S | 83.8 | Confident | 81.6 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 53% | 0.531 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.7 | 172.6 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | N786 | N786-S809 WeakPolarHBondContact OD1-CB 3.22Å; N786-S809 PolarHBondContact OD1-OG 3.35Å |
| 810 | M | 81.1 | Confident | 82 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 137.6 | 178.5 | -64.7 | -55.8 | -59 | 0 | 0 | 111.8 | T721 N723 L781 K782 N784 A785 Y787 A812 | T721-M810 HydrophobicContact CG2-CE 4.44Å; T721-M810 HydrophobicContact CG2-SD 4.04Å; N723-M810 WeakPolarHBondContact O-CE 3.27Å; L781-M810 HydrophobicContact CB-CE 4.06Å; L781-M810 HydrophobicContact CB-CG 4.04Å; L781-M810 HydrophobicContact CB-SD 4.16Å; L781-M810 HydrophobicContact CD1-CE 3.84Å; L781-M810 HydrophobicContact CD1-CG 4.38Å; L781-M810 HydrophobicContact CD1-SD 3.51Å; L781-M810 VanDerWaalsContact CD1-SD 3.51Å; L781-M810 HydrophobicContact CG-SD 4.47Å; K782-M810 VanDerWaalsContact O-CB 3.27Å; K782-M810 WeakPolarHBondContact O-CB 3.2Å; N784-M810 WeakPolarHBondContact CA-O 3.29Å; N784-M810 PolarHBondContact N-O 2.97Å; N784-M810 VanDerWaalsContact N-O 3.09Å; A785-M810 PolarHBondContact O-N 3.45Å; Y787-M810 HydrophobicContact CD2-CG 3.62Å; Y787-M810 HydrophobicContact CD2-SD 4.48Å; Y787-M810 HydrophobicContact CE2-CG 3.8Å; M810-A812 PolarHBondContact O-N 3.09Å |
| 811 | P | 74 | Confident | 82.5 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 140.5 | 172.7 | -25.4 | 34.1 | 0 | 0 | 0 | 111.5 | S724 P783 N784 | S724-P811 VanDerWaalsContact CA-O 3.23Å; S724-P811 WeakPolarHBondContact CA-O 3.3Å; S724-P811 WeakPolarHBondContact CB-O 3.34Å; P783-P811 WeakPolarHBondContact CA-O 3.4Å; N784-P811 PolarHBondContact N-O 3.42Å |
| 812 | A | 68.4 | Low | 82.7 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 166.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N784 M810 F845 H847 Q898 | N784-A812 HydrophobicContact CB-CB 3.96Å; M810-A812 PolarHBondContact O-N 3.09Å; A812-F845 HydrophobicContact CB-CB 4.49Å; A812-F845 WeakPolarHBondContact CB-O 3.44Å; A812-H847 WeakPolarHBondContact CB-CD2 3.37Å; A812-Q898 HydrophobicContact CB-CG 3.7Å |
| 813 | L | 72.8 | Confident | 82.8 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 155 | 173.9 | -85.9 | 176.7 | 0 | 0 | 0 | 111.6 | S724 P783 F845 N896 | S724-L813 WeakPolarHBondContact OG-CD2 3.4Å; S724-L813 WeakPolarHBondContact OG-CG 3.47Å; P783-L813 HydrophobicContact CB-CB 4.41Å; P783-L813 HydrophobicContact CB-CD1 4.41Å; P783-L813 HydrophobicContact CB-CG 4.06Å; P783-L813 HydrophobicContact CG-CB 4.5Å; P783-L813 HydrophobicContact CG-CD1 3.64Å; P783-L813 HydrophobicContact CG-CG 3.74Å; L813-F845 HydrophobicContact CB-CB 4.19Å; L813-F845 HydrophobicContact CB-CD1 4.22Å; L813-F845 HydrophobicContact CB-CD2 3.48Å; L813-F845 VanDerWaalsContact CB-CD2 3.48Å; L813-F845 HydrophobicContact CB-CE1 4.49Å; L813-F845 HydrophobicContact CB-CE2 3.79Å; L813-F845 HydrophobicContact CB-CG 3.71Å; L813-F845 HydrophobicContact CB-CZ 4.29Å; L813-F845 HydrophobicContact CD1-CE1 4.11Å; L813-F845 HydrophobicContact CD1-CE2 4.21Å; L813-F845 HydrophobicContact CD1-CZ 3.94Å; L813-N896 PolarHBondContact O-ND2 3.35Å |
| 814 | P | 78.9 | Confident | 82.7 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 154 | 155.9 | -24.9 | 36.2 | 0 | 0 | 0 | 111.8 | F845 Q898 V900 | P814-F845 VanDerWaalsContact O-CD2 3.27Å; P814-F845 WeakPolarHBondContact O-CD2 3.5Å; P814-F845 VanDerWaalsContact O-CE2 3.31Å; P814-F845 WeakPolarHBondContact O-CE2 3.42Å; P814-Q898 HydrophobicContact CG-CB 4.42Å; P814-V900 WeakPolarHBondContact CB-O 3.23Å |
| 815 | P | 82.5 | Confident | 82.8 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 161.7 | -172.9 | -21.3 | 34.2 | 0 | 0 | 0 | 114.4 | P841 A894 N896 G901 E902 | P815-P841 HydrophobicContact CB-CB 3.87Å; P815-P841 HydrophobicContact CB-CG 3.64Å; P815-A894 HydrophobicContact CB-CB 4.04Å; P815-A894 HydrophobicContact CG-CB 4.13Å; P815-N896 HydrophobicContact CG-CB 3.78Å; P815-G901 CarbonylContact O-C 3.48Å; P815-G901 WeakPolarHBondContact O-CA 2.78Å; P815-E902 PolarHBondContact O-N 2.82Å |
| 816 | T | 85.5 | Confident | 82.8 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.202 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 170.7 | 167.3 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | P841 A842 N843 F845 | T816-P841 VanDerWaalsContact O-CB 3.26Å; T816-P841 WeakPolarHBondContact O-CB 3.43Å; T816-P841 WeakPolarHBondContact O-CG 3.23Å; T816-A842 PolarHBondContact OG1-N 3.28Å; T816-A842 VanDerWaalsContact OG1-N 3.09Å; T816-N843 HydrophobicContact CG2-CB 4.08Å; T816-N843 PolarHBondContact N-O 3.44Å; T816-N843 PolarHBondContact OG1-N 2.83Å; T816-N843 PolarHBondContact OG1-O 3.46Å; T816-F845 HydrophobicContact CG2-CE2 3.85Å; T816-F845 HydrophobicContact CG2-CZ 3.9Å |
| 817 | A | 87.4 | Confident | 82.4 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 22% | 0.223 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 134.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q819 E902 | A817-Q819 PolarHBondContact O-N 3.18Å; A817-E902 WeakPolarHBondContact CA-O 3.3Å; A817-E902 HydrophobicContact CB-CB 4.26Å; A817-E902 HydrophobicContact CB-CG 4.2Å |
| 818 | P | 89.3 | Confident | 81.8 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -55.7 | 131.5 | 172.2 | -30.4 | 40.3 | 0 | 0 | 0 | 112.3 | I821 W838 L839 Y852 L892 A894 | P818-I821 WeakPolarHBondContact O-CG1 3.2Å; P818-W838 HydrophobicContact CB-CB 4.46Å; P818-L839 WeakPolarHBondContact CB-O 3.32Å; P818-Y852 HydrophobicContact CB-CE1 4.22Å; P818-Y852 HydrophobicContact CG-CD1 3.99Å; P818-Y852 HydrophobicContact CG-CE1 3.89Å; P818-L892 HydrophobicContact CB-CD2 3.95Å; P818-L892 HydrophobicContact CB-CG 4.11Å; P818-L892 WeakPolarHBondContact CD-O 3.45Å; P818-L892 HydrophobicContact CG-CD1 4.48Å; P818-L892 HydrophobicContact CG-CD2 4.37Å; P818-L892 HydrophobicContact CG-CG 3.98Å; P818-A894 HydrophobicContact CG-CB 4.07Å |
| 819 | Q | 87.9 | Confident | 81.1 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -78.7 | 158.9 | -171.6 | -67.7 | 172.5 | 97.5 | 0 | 0 | 112.6 | A817 I821 L839 E840 A842 | A817-Q819 PolarHBondContact O-N 3.18Å; Q819-I821 PolarHBondContact O-N 3.13Å; Q819-L839 HydrophobicContact CB-CB 3.99Å; Q819-L839 PolarHBondContact N-O 2.87Å; Q819-L839 PolarHBondContact O-N 2.84Å; Q819-E840 WeakPolarHBondContact CG-O 3.36Å; Q819-E840 PolarHBondContact N-O 3.4Å; Q819-E840 PolarHBondContact NE2-O 2.87Å; Q819-A842 HydrophobicContact CG-CB 4.31Å |
| 820 | S | 86.9 | Confident | 80.1 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 50.3 | 46.9 | 168.5 | -57.3 | 0 | 0 | 0 | 0 | 115.3 | A822 | S820-A822 PolarHBondContact O-N 2.74Š|
| 821 | I | 88.3 | Confident | 79.3 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | trans | -64.6 | 119.9 | 178.2 | -50.2 | 179.3 | 0 | 0 | 0 | 109.7 | P818 Q819 L836 K837 W838 L892 V906 | P818-I821 WeakPolarHBondContact O-CG1 3.2Å; Q819-I821 PolarHBondContact O-N 3.13Å; I821-L836 HydrophobicContact CG2-CD2 4.28Å; I821-K837 CarbonylContact C-O 3.55Å; I821-K837 WeakPolarHBondContact CA-O 3.34Å; I821-W838 HydrophobicContact CG1-CB 4.43Å; I821-L892 HydrophobicContact CD1-CB 4.1Å; I821-L892 HydrophobicContact CD1-CD2 3.92Å; I821-L892 HydrophobicContact CD1-CG 4.38Å; I821-L892 HydrophobicContact CG1-CD2 3.99Å; I821-L892 HydrophobicContact CG2-CD2 4.35Å; I821-V906 HydrophobicContact CG2-CB 4.46Å; I821-V906 HydrophobicContact CG2-CG1 3.99Å | ||
| 822 | A | 84.8 | Confident | 79.6 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 156.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S820 L836 K837 | S820-A822 PolarHBondContact O-N 2.74Å; A822-L836 WeakPolarHBondContact O-CA 3.31Å; A822-K837 HydrophobicContact CB-CB 4.42Å; A822-K837 PolarHBondContact N-O 2.88Å; A822-K837 PolarHBondContact O-N 3.45Å |
| 823 | T | 85.1 | Confident | 80.5 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.3 | -170 | 46.3 | 0 | 0 | 0 | 0 | 112 | L834 R835 L836 V906 I908 | T823-L834 HydrophobicContact CG2-CD2 4.28Å; T823-R835 CarbonylContact C-O 3.57Å; T823-R835 WeakPolarHBondContact CA-O 3.18Å; T823-L836 HydrophobicContact CG2-CD2 3.58Å; T823-V906 HydrophobicContact CG2-CG1 4Å; T823-V906 HydrophobicContact CG2-CG2 4.05Å; T823-I908 VanDerWaalsContact CB-CD1 3.45Å; T823-I908 HydrophobicContact CG2-CD1 3.82Å; T823-I908 WeakPolarHBondContact OG1-CD1 3.41Å |
| 824 | E | 84.5 | Confident | 81.2 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 123.7 | -175.7 | 177 | -170.9 | 172.4 | 0 | 0 | 109.7 | V826 R835 K837 | E824-V826 PolarHBondContact O-N 3.48Å; E824-R835 HydrophobicContact CB-CB 4.28Å; E824-R835 PolarHBondContact N-O 3.36Å; E824-R835 PolarHBondContact O-N 2.87Å; E824-R835 IonicContact OE1-CZ 3.76Å; E824-R835 IonicContact OE1-NH1 2.77Å; E824-R835 PolarHBondContact OE1-NH1 3.22Å; E824-R835 IonicContact OE2-CZ 3.96Å; E824-R835 IonicContact OE2-NH1 3.33Å; E824-R835 PolarHBondContact OE2-NH1 2.96Å; E824-K837 WeakPolarHBondContact OE2-CE 3.33Å; E824-K837 IonicContact OE2-NZ 2.67Å; E824-K837 PolarHBondContact OE2-NZ 2.94Å |
| 825 | L | 80.3 | Confident | 81.8 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 39% | 0.387 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 124.3 | 178 | -130.4 | 94.4 | 0 | 0 | 0 | 109.9 | V828 L834 P911 | L825-V828 HydrophobicContact CD2-CG2 4.16Å; L825-L834 HydrophobicContact CD1-CD1 3.94Å; L825-P911 HydrophobicContact CD2-CG 3.92Å |
| 826 | V | 82.5 | Confident | 82.2 | Confident | 59 Ų | 59 | 58.4 Ų | 58.4 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -35.3 | -178.5 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | E824 R833 R835 | E824-V826 PolarHBondContact O-N 3.48Å; V826-R833 HydrophobicContact CB-CB 4.1Å; V826-R833 PolarHBondContact N-O 2.79Å; V826-R835 HydrophobicContact CG2-CB 3.66Å |
| 827 | Q | 76.7 | Confident | 82.4 | Confident | 71 Ų | 71 | 61 Ų | 61 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 131.7 | 179.5 | -170 | 176.4 | -50.6 | 0 | 0 | 110.1 | E829 P831 V832 R833 | Q827-E829 PolarHBondContact NE2-O 3.42Å; Q827-P831 PolarHBondContact NE2-O 3.25Å; Q827-V832 WeakPolarHBondContact O-CA 3.38Å; Q827-V832 WeakPolarHBondContact O-CG1 3.38Å; Q827-R833 HydrophobicContact CB-CB 3.81Å; Q827-R833 HydrophobicContact CB-CG 3.8Å; Q827-R833 PolarHBondContact N-O 2.81Å; Q827-R833 PolarHBondContact O-N 3.09Å; Q827-R833 VanDerWaalsContact O-N 3.15Å |
| 828 | V | 73 | Confident | 82.7 | Confident | 86 Ų | 86 | 60.2 Ų | 60.2 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | trans | -89.5 | -25.5 | -172.7 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | L825 N884 P911 | L825-V828 HydrophobicContact CD2-CG2 4.16Å; V828-N884 PolarHBondContact O-ND2 2.85Å; V828-P911 HydrophobicContact CG1-CB 4.01Å; V828-P911 HydrophobicContact CG1-CG 3.72Å | ||
| 829 | E | 68.4 | Low | 82.7 | Confident | 155 Ų | 155 | 64.2 Ų | 64.2 | 72% | 0.724 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -112.5 | 147.7 | -170.3 | -61.4 | -172.3 | 161.9 | 0 | 0 | 112.2 | Q827 P831 | Q827-E829 PolarHBondContact NE2-O 3.42Å; E829-P831 CarbonylContact O-C 3.53Å |
| 830 | N | 64.4 | Low | 82.7 | Confident | 114 Ų | 114 | 63.5 Ų | 63.5 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -57.1 | 122.8 | -160.4 | -145 | -0.2 | 0 | 0 | 0 | 113.1 | ||
| 831 | P | 64.5 | Low | 82.7 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | S | Bend | cis | -76.7 | 137.1 | 0.2 | 32 | -34.9 | 0 | 0 | 0 | 113 | Q827 E829 P881 | Q827-P831 PolarHBondContact NE2-O 3.25Å; E829-P831 CarbonylContact O-C 3.53Å; P831-P881 HydrophobicContact CB-CB 3.43Å; P831-P881 VanDerWaalsContact CB-CB 3.43Å; P831-P881 HydrophobicContact CG-CB 4.31Å |
| 832 | V | 80.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 134.9 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | Q827 L882 N884 T910 | Q827-V832 WeakPolarHBondContact O-CA 3.38Å; Q827-V832 WeakPolarHBondContact O-CG1 3.38Å; V832-L882 HydrophobicContact CB-CB 4.01Å; V832-L882 WeakPolarHBondContact CB-O 3.28Å; V832-L882 HydrophobicContact CG1-CB 4.37Å; V832-L882 PolarHBondContact N-O 2.8Å; V832-L882 WeakPolarHBondContact O-CB 3.5Å; V832-L882 PolarHBondContact O-N 3.5Å; V832-N884 WeakPolarHBondContact CG2-ND2 3.49Å; V832-T910 HydrophobicContact CG1-CG2 4.03Å |
| 833 | R | 86.3 | Confident | 82.2 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.3 | -178.1 | -54.1 | 175.6 | 78.9 | -165.1 | 4.9 | 110.1 | V826 Q827 V878 E880 | V826-R833 HydrophobicContact CB-CB 4.1Å; V826-R833 PolarHBondContact N-O 2.79Å; Q827-R833 HydrophobicContact CB-CB 3.81Å; Q827-R833 HydrophobicContact CB-CG 3.8Å; Q827-R833 PolarHBondContact N-O 2.81Å; Q827-R833 PolarHBondContact O-N 3.09Å; Q827-R833 VanDerWaalsContact O-N 3.15Å; R833-V878 HydrophobicContact CB-CG1 4.3Å; R833-E880 HydrophobicContact CG-CB 4.11Å; R833-E880 IonicContact CZ-OE1 2.73Å; R833-E880 IonicContact CZ-OE2 2.69Å; R833-E880 VanDerWaalsContact NE-CD 3.26Å; R833-E880 IonicContact NE-OE1 2.79Å; R833-E880 PolarHBondContact NE-OE1 3.05Å; R833-E880 IonicContact NE-OE2 3.89Å; R833-E880 PolarHBondContact NE-OE2 3.37Å; R833-E880 IonicContact NH2-OE1 3.77Å; R833-E880 PolarHBondContact NH2-OE1 2.81Å; R833-E880 IonicContact NH2-OE2 3.57Å; R833-E880 PolarHBondContact NH2-OE2 3.35Å |
| 834 | L | 87.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 129.8 | -176.9 | -176.3 | 76.8 | 0 | 0 | 0 | 111 | T823 L825 V878 V879 L882 F890 I908 | T823-L834 HydrophobicContact CG2-CD2 4.28Å; L825-L834 HydrophobicContact CD1-CD1 3.94Å; L834-V878 CarbonylContact O-C 3.54Å; L834-V878 WeakPolarHBondContact O-CA 3.47Å; L834-V879 PolarHBondContact N-O 3.46Å; L834-V879 VanDerWaalsContact N-O 3.11Å; L834-V879 PolarHBondContact O-N 3.31Å; L834-L882 HydrophobicContact CB-CD1 3.62Å; L834-L882 HydrophobicContact CD2-CD1 4.42Å; L834-F890 HydrophobicContact CD2-CD2 4.35Å; L834-F890 HydrophobicContact CD2-CE1 4.07Å; L834-F890 HydrophobicContact CD2-CE2 3.54Å; L834-F890 HydrophobicContact CD2-CZ 3.39Å; L834-I908 HydrophobicContact CD1-CD1 3.57Å; L834-I908 HydrophobicContact CD2-CD1 4.02Å; L834-I908 HydrophobicContact CD2-CG2 4.33Å; L834-I908 HydrophobicContact CG-CD1 4.45Å |
| 835 | R | 90.6 | Very high | 81.2 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.4 | 170.6 | -172.1 | -175.1 | -64.8 | 140.5 | -2.6 | 110.5 | T823 E824 V826 T877 V878 | T823-R835 CarbonylContact C-O 3.57Å; T823-R835 WeakPolarHBondContact CA-O 3.18Å; E824-R835 HydrophobicContact CB-CB 4.28Å; E824-R835 PolarHBondContact N-O 3.36Å; E824-R835 PolarHBondContact O-N 2.87Å; E824-R835 IonicContact OE1-CZ 3.76Å; E824-R835 IonicContact OE1-NH1 2.77Å; E824-R835 PolarHBondContact OE1-NH1 3.22Å; E824-R835 IonicContact OE2-CZ 3.96Å; E824-R835 IonicContact OE2-NH1 3.33Å; E824-R835 PolarHBondContact OE2-NH1 2.96Å; V826-R835 HydrophobicContact CG2-CB 3.66Å; R835-T877 CarbonylContact C-O 3.55Å; R835-T877 VanDerWaalsContact CA-O 3.3Å; R835-T877 WeakPolarHBondContact CA-O 3.35Å; R835-T877 WeakPolarHBondContact CG-O 3.24Å; R835-V878 HydrophobicContact CB-CG2 4.19Å; R835-V878 HydrophobicContact CG-CG2 4.23Å |
| 836 | L | 90.6 | Very high | 80.6 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 144.9 | 166.9 | -77.5 | 163.8 | 0 | 0 | 0 | 109.7 | I821 A822 T823 W838 I854 T876 T877 V879 F890 V906 | I821-L836 HydrophobicContact CG2-CD2 4.28Å; A822-L836 WeakPolarHBondContact O-CA 3.31Å; T823-L836 HydrophobicContact CG2-CD2 3.58Å; L836-W838 HydrophobicContact CB-CE3 4.22Å; L836-W838 HydrophobicContact CB-CZ3 3.88Å; L836-I854 HydrophobicContact CD1-CD1 3.88Å; L836-I854 HydrophobicContact CD1-CG1 4.49Å; L836-I854 HydrophobicContact CD1-CG2 4.01Å; L836-T876 CarbonylContact O-C 3.58Å; L836-T876 WeakPolarHBondContact O-CA 3.39Å; L836-T876 WeakPolarHBondContact O-CB 3.42Å; L836-T876 PolarHBondContact O-OG1 2.9Å; L836-T877 HydrophobicContact CB-CG2 4.45Å; L836-T877 PolarHBondContact N-O 2.98Å; L836-T877 PolarHBondContact O-N 3.31Å; L836-V879 HydrophobicContact CD1-CG2 3.82Å; L836-F890 HydrophobicContact CD1-CB 4.46Å; L836-F890 HydrophobicContact CD1-CD1 3.85Å; L836-F890 HydrophobicContact CD1-CE1 4.5Å; L836-F890 HydrophobicContact CD1-CG 4.35Å; L836-V906 HydrophobicContact CD2-CG1 3.99Å |
| 837 | K | 90.7 | Very high | 80.1 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 38% | 0.378 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.1 | 176.2 | -75.4 | 165.6 | 168.8 | 165.3 | 0 | 109.5 | I821 A822 E824 R875 | I821-K837 CarbonylContact C-O 3.55Å; I821-K837 WeakPolarHBondContact CA-O 3.34Å; A822-K837 HydrophobicContact CB-CB 4.42Å; A822-K837 PolarHBondContact N-O 2.88Å; A822-K837 PolarHBondContact O-N 3.45Å; E824-K837 WeakPolarHBondContact OE2-CE 3.33Å; E824-K837 IonicContact OE2-NZ 2.67Å; E824-K837 PolarHBondContact OE2-NZ 2.94Å; K837-R875 WeakPolarHBondContact CA-O 3.38Å |
| 838 | W | 92.6 | Very high | 80.4 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | trans | -155.2 | 176 | 179.5 | 57.6 | 97.8 | 0 | 0 | 0 | 112.8 | P818 I821 L836 Y852 I854 V870 Q874 R875 T877 L892 | P818-W838 HydrophobicContact CB-CB 4.46Å; I821-W838 HydrophobicContact CG1-CB 4.43Å; L836-W838 HydrophobicContact CB-CE3 4.22Å; L836-W838 HydrophobicContact CB-CZ3 3.88Å; W838-Y852 AromaticContact CD1-CD1 3.95Å; W838-Y852 AromaticContact CD1-CE1 3.66Å; W838-Y852 AromaticContact CD1-CZ 3.96Å; W838-Y852 AromaticContact CE2-CG 3.96Å; W838-Y852 HydrophobicContact CZ2-CD2 4.12Å; W838-Y852 HydrophobicContact CZ2-CG 4.03Å; W838-Y852 AromaticContact NE1-CD1 3.29Å; W838-Y852 VanDerWaalsContact NE1-CD1 3.29Å; W838-Y852 AromaticContact NE1-CD2 3.5Å; W838-Y852 AromaticContact NE1-CE1 3.32Å; W838-Y852 VanDerWaalsContact NE1-CE1 3.32Å; W838-Y852 AromaticContact NE1-CE2 3.56Å; W838-Y852 AromaticContact NE1-CG 3.39Å; W838-Y852 AromaticContact NE1-CZ 3.48Å; W838-I854 HydrophobicContact CH2-CD1 3.71Å; W838-I854 HydrophobicContact CZ2-CD1 4.48Å; W838-I854 HydrophobicContact CZ3-CD1 3.73Å; W838-V870 HydrophobicContact CH2-CB 4.4Å; W838-V870 HydrophobicContact CH2-CG1 4Å; W838-V870 HydrophobicContact CH2-CG2 4.31Å; W838-V870 HydrophobicContact CZ2-CB 4.32Å; W838-V870 HydrophobicContact CZ2-CG1 3.84Å; W838-Q874 WeakPolarHBondContact CZ2-O 3.26Å; W838-R875 HydrophobicContact CG-CB 4.45Å; W838-R875 PolarHBondContact N-O 2.9Å; W838-R875 WeakPolarHBondContact O-CB 3.24Å; W838-T877 HydrophobicContact CH2-CG2 3.96Å; W838-T877 HydrophobicContact CZ3-CG2 4.06Å; W838-L892 HydrophobicContact CB-CD2 3.61Å; W838-L892 HydrophobicContact CD2-CD1 4.32Å; W838-L892 HydrophobicContact CD2-CD2 3.51Å; W838-L892 HydrophobicContact CE3-CD2 3.81Å; W838-L892 HydrophobicContact CG-CD2 3.44Å; W838-L892 VanDerWaalsContact CG-CD2 3.44Å; W838-L892 HydrophobicContact CZ2-CD1 4.43Å | ||
| 839 | L | 90.4 | Very high | 80.9 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | trans | -117.3 | 173.8 | 169.1 | -64.8 | 177.7 | 0 | 0 | 0 | 109.9 | P818 Q819 | P818-L839 WeakPolarHBondContact CB-O 3.32Å; Q819-L839 HydrophobicContact CB-CB 3.99Å; Q819-L839 PolarHBondContact N-O 2.87Å; Q819-L839 PolarHBondContact O-N 2.84Å | ||
| 840 | E | 86.8 | Confident | 81.8 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | trans | -66.2 | 160.2 | 179.7 | -98.4 | 159.4 | 168.5 | 0 | 0 | 112.9 | Q819 Y852 R875 | Q819-E840 WeakPolarHBondContact CG-O 3.36Å; Q819-E840 PolarHBondContact N-O 3.4Å; Q819-E840 PolarHBondContact NE2-O 2.87Å; E840-Y852 WeakPolarHBondContact CG-OH 3.2Å; E840-R875 VanDerWaalsContact CG-NH1 3.31Å; E840-R875 IonicContact OE1-CZ 3.37Å; E840-R875 IonicContact OE1-NH1 2.72Å; E840-R875 IonicContact OE1-NH2 2.72Å; E840-R875 PolarHBondContact OE1-NH2 3.17Å; E840-R875 IonicContact OE2-CZ 3.4Å; E840-R875 IonicContact OE2-NH1 3.56Å; E840-R875 PolarHBondContact OE2-NH1 3.27Å; E840-R875 IonicContact OE2-NH2 3.23Å; E840-R875 PolarHBondContact OE2-NH2 3.11Å | ||
| 841 | P | 87.5 | Confident | 83.1 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.065 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -45.9 | 140 | 160.9 | -30 | 38.5 | 0 | 0 | 0 | 112.1 | P815 T816 N843 T844 V849 A894 | P815-P841 HydrophobicContact CB-CB 3.87Å; P815-P841 HydrophobicContact CB-CG 3.64Å; T816-P841 VanDerWaalsContact O-CB 3.26Å; T816-P841 WeakPolarHBondContact O-CB 3.43Å; T816-P841 WeakPolarHBondContact O-CG 3.23Å; P841-N843 PolarHBondContact O-N 3.49Å; P841-T844 HydrophobicContact CB-CG2 4.31Å; P841-V849 HydrophobicContact CG-CG2 4.25Å; P841-A894 HydrophobicContact CG-CB 3.37Å |
| 842 | A | 83.4 | Confident | 84.4 | Confident | 72 Ų | 72 | 52 Ų | 52 | 60% | 0.595 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -66.4 | -18.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T816 Q819 | T816-A842 PolarHBondContact OG1-N 3.28Å; T816-A842 VanDerWaalsContact OG1-N 3.09Å; Q819-A842 HydrophobicContact CG-CB 4.31Å |
| 843 | N | 80.4 | Confident | 84.9 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | trans | -151 | 131.6 | 172.8 | -156.6 | -26.4 | 0 | 0 | 0 | 110.4 | T816 P841 F845 | T816-N843 HydrophobicContact CG2-CB 4.08Å; T816-N843 PolarHBondContact N-O 3.44Å; T816-N843 PolarHBondContact OG1-N 2.83Å; T816-N843 PolarHBondContact OG1-O 3.46Å; P841-N843 PolarHBondContact O-N 3.49Å; N843-F845 HydrophobicContact CB-CE1 4.37Å; N843-F845 HydrophobicContact CB-CE2 4.42Å; N843-F845 HydrophobicContact CB-CZ 4.2Å; N843-F845 PolarHBondContact OD1-N 2.96Å; N843-F845 VanDerWaalsContact OD1-N 3.08Å | ||
| 844 | T | 79.1 | Confident | 85.1 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | trans | -105.5 | -3.1 | 179.6 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | P841 G846 H847 V849 N896 | P841-T844 HydrophobicContact CB-CG2 4.31Å; T844-G846 VanDerWaalsContact C-N 3.34Å; T844-G846 PolarHBondContact O-N 3.14Å; T844-H847 WeakPolarHBondContact CB-O 3.49Å; T844-V849 HydrophobicContact CG2-CG2 4.01Å; T844-N896 PolarHBondContact O-ND2 2.81Å | ||
| 845 | F | 67.9 | Low | 85.2 | Confident | 42 Ų | 42 | 55 Ų | 55 | 18% | 0.184 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 42.1 | 178.5 | -53.1 | -78 | 0 | 0 | 0 | 114.4 | P783 A812 L813 P814 T816 N843 H847 | P783-F845 HydrophobicContact CB-CD1 4.39Å; A812-F845 HydrophobicContact CB-CB 4.49Å; A812-F845 WeakPolarHBondContact CB-O 3.44Å; L813-F845 HydrophobicContact CB-CB 4.19Å; L813-F845 HydrophobicContact CB-CD1 4.22Å; L813-F845 HydrophobicContact CB-CD2 3.48Å; L813-F845 VanDerWaalsContact CB-CD2 3.48Å; L813-F845 HydrophobicContact CB-CE1 4.49Å; L813-F845 HydrophobicContact CB-CE2 3.79Å; L813-F845 HydrophobicContact CB-CG 3.71Å; L813-F845 HydrophobicContact CB-CZ 4.29Å; L813-F845 HydrophobicContact CD1-CE1 4.11Å; L813-F845 HydrophobicContact CD1-CE2 4.21Å; L813-F845 HydrophobicContact CD1-CZ 3.94Å; P814-F845 VanDerWaalsContact O-CD2 3.27Å; P814-F845 WeakPolarHBondContact O-CD2 3.5Å; P814-F845 VanDerWaalsContact O-CE2 3.31Å; P814-F845 WeakPolarHBondContact O-CE2 3.42Å; T816-F845 HydrophobicContact CG2-CE2 3.85Å; T816-F845 HydrophobicContact CG2-CZ 3.9Å; N843-F845 HydrophobicContact CB-CE1 4.37Å; N843-F845 HydrophobicContact CB-CE2 4.42Å; N843-F845 HydrophobicContact CB-CZ 4.2Å; N843-F845 PolarHBondContact OD1-N 2.96Å; N843-F845 VanDerWaalsContact OD1-N 3.08Å; F845-H847 VanDerWaalsContact C-N 3.33Å; F845-H847 PolarHBondContact O-N 3.47Å |
| 846 | G | 67.9 | Low | 85.1 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 63% | 0.629 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -18.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T844 | T844-G846 VanDerWaalsContact C-N 3.34Å; T844-G846 PolarHBondContact O-N 3.14Å |
| 847 | H | 73.8 | Confident | 84.9 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -100.7 | 143.4 | 175.4 | -65.1 | -72.8 | 0 | 0 | 0 | 112.3 | A812 T844 F845 N896 A897 Q898 | A812-H847 WeakPolarHBondContact CB-CD2 3.37Å; T844-H847 WeakPolarHBondContact CB-O 3.49Å; F845-H847 VanDerWaalsContact C-N 3.33Å; F845-H847 PolarHBondContact O-N 3.47Å; H847-N896 HydrophobicContact CB-CB 3.96Å; H847-A897 HydrophobicContact CB-CB 4.37Å; H847-Q898 PolarHBondContact NE2-NE2 2.77Å |
| 848 | P | 81.7 | Confident | 84.4 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 59% | 0.591 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 149.8 | 174.2 | 28.6 | -35.2 | 0 | 0 | 0 | 111.4 | L850 N896 | P848-L850 PolarHBondContact O-N 2.82Å; P848-N896 VanDerWaalsContact O-CB 3.27Å; P848-N896 WeakPolarHBondContact O-CB 3.49Å |
| 849 | V | 84.5 | Confident | 83.6 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 129.9 | 166.1 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | P841 T844 R851 Y852 A872 A894 E895 | P841-V849 HydrophobicContact CG-CG2 4.25Å; T844-V849 HydrophobicContact CG2-CG2 4.01Å; V849-R851 WeakPolarHBondContact CG1-O 3.36Å; V849-Y852 HydrophobicContact CG1-CE2 4.32Å; V849-A872 HydrophobicContact CB-CB 4.34Å; V849-A872 HydrophobicContact CG1-CB 4.06Å; V849-A872 WeakPolarHBondContact O-CB 3.29Å; V849-A894 HydrophobicContact CG1-CB 3.91Å; V849-A894 HydrophobicContact CG2-CB 4.03Å; V849-E895 CarbonylContact C-O 3.48Å; V849-E895 WeakPolarHBondContact CA-O 3.39Å |
| 850 | L | 86.7 | Confident | 82.5 | Confident | 97 Ų | 97 | 52 Ų | 52 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | trans | -93.6 | -39.2 | 178.1 | -58.6 | 177.9 | 0 | 0 | 0 | 111.2 | P848 A872 E895 | P848-L850 PolarHBondContact O-N 2.82Å; L850-A872 WeakPolarHBondContact O-CB 3.42Å; L850-E895 PolarHBondContact N-O 3.4Å | ||
| 851 | R | 91 | Very high | 81.3 | Confident | 108 Ų | 108 | 51.5 Ų | 51.5 | 41% | 0.408 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 165.2 | 175.4 | 59.1 | -176.2 | 176.3 | -151.7 | -11.8 | 112.1 | V849 V870 E895 | V849-R851 WeakPolarHBondContact CG1-O 3.36Å; R851-V870 CarbonylContact C-O 3.51Å; R851-V870 WeakPolarHBondContact CA-O 3.35Å; R851-V870 WeakPolarHBondContact CB-O 3.45Å; R851-E895 HydrophobicContact CG-CB 4.03Å; R851-E895 HydrophobicContact CG-CG 4.47Å; R851-E895 IonicContact CZ-OE1 3.57Å; R851-E895 IonicContact CZ-OE2 3.77Å; R851-E895 PolarHBondContact N-O 2.83Å; R851-E895 VanDerWaalsContact NE-CD 3.26Å; R851-E895 IonicContact NE-OE1 2.64Å; R851-E895 PolarHBondContact NE-OE1 2.95Å; R851-E895 IonicContact NE-OE2 3.34Å; R851-E895 PolarHBondContact NE-OE2 3.25Å; R851-E895 IonicContact NH2-OE1 3.37Å; R851-E895 PolarHBondContact NH2-OE1 2.82Å; R851-E895 IonicContact NH2-OE2 2.73Å; R851-E895 PolarHBondContact NH2-OE2 3.32Å; R851-E895 PolarHBondContact O-N 3.49Å |
| 852 | Y | 92.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 143.4 | 166.1 | -66.9 | -81.5 | 0 | 0 | 0 | 110.8 | P818 W838 E840 V849 T869 V870 Q874 L892 A893 A894 | P818-Y852 HydrophobicContact CB-CE1 4.22Å; P818-Y852 HydrophobicContact CG-CD1 3.99Å; P818-Y852 HydrophobicContact CG-CE1 3.89Å; W838-Y852 AromaticContact CD1-CD1 3.95Å; W838-Y852 AromaticContact CD1-CE1 3.66Å; W838-Y852 AromaticContact CD1-CZ 3.96Å; W838-Y852 AromaticContact CE2-CG 3.96Å; W838-Y852 HydrophobicContact CZ2-CD2 4.12Å; W838-Y852 HydrophobicContact CZ2-CG 4.03Å; W838-Y852 AromaticContact NE1-CD1 3.29Å; W838-Y852 VanDerWaalsContact NE1-CD1 3.29Å; W838-Y852 AromaticContact NE1-CD2 3.5Å; W838-Y852 AromaticContact NE1-CE1 3.32Å; W838-Y852 VanDerWaalsContact NE1-CE1 3.32Å; W838-Y852 AromaticContact NE1-CE2 3.56Å; W838-Y852 AromaticContact NE1-CG 3.39Å; W838-Y852 AromaticContact NE1-CZ 3.48Å; E840-Y852 WeakPolarHBondContact CG-OH 3.2Å; V849-Y852 HydrophobicContact CG1-CE2 4.32Å; Y852-T869 WeakPolarHBondContact O-CA 3.37Å; Y852-V870 PolarHBondContact N-O 2.89Å; Y852-V870 PolarHBondContact O-N 2.97Å; Y852-Q874 WeakPolarHBondContact CD2-O 3.12Å; Y852-L892 HydrophobicContact CD1-CD1 4.03Å; Y852-L892 HydrophobicContact CG-CD1 4.37Å; Y852-A893 CarbonylContact C-O 3.56Å; Y852-A893 WeakPolarHBondContact CA-O 3.44Å; Y852-A894 HydrophobicContact CD1-CB 3.89Å; Y852-A894 HydrophobicContact CE1-CB 3.74Å |
| 853 | R | 90.4 | Very high | 78.5 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 104.6 | 179.7 | -169 | 179 | -179.8 | 174.8 | 1.6 | 111.5 | R855 T867 L892 A893 | R853-R855 HydrophobicContact CG-CG 4.27Å; R853-T867 HydrophobicContact CG-CG2 4Å; R853-L892 WeakPolarHBondContact O-CA 3.44Å; R853-A893 PolarHBondContact N-O 3.41Å; R853-A893 PolarHBondContact O-N 2.97Å |
| 854 | I | 90.8 | Very high | 77.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 118.4 | 158 | -23.7 | 137.9 | 0 | 0 | 0 | 114.5 | L836 W838 T867 L868 T877 L892 | L836-I854 HydrophobicContact CD1-CD1 3.88Å; L836-I854 HydrophobicContact CD1-CG1 4.49Å; L836-I854 HydrophobicContact CD1-CG2 4.01Å; W838-I854 HydrophobicContact CH2-CD1 3.71Å; W838-I854 HydrophobicContact CZ2-CD1 4.48Å; W838-I854 HydrophobicContact CZ3-CD1 3.73Å; I854-T867 CarbonylContact O-C 3.59Å; I854-T867 VanDerWaalsContact O-CA 3.24Å; I854-T867 WeakPolarHBondContact O-CA 3.47Å; I854-T867 WeakPolarHBondContact O-CG2 3.42Å; I854-L868 WeakPolarHBondContact CA-O 3.34Å; I854-L868 HydrophobicContact CB-CB 4.4Å; I854-L868 PolarHBondContact N-O 3.25Å; I854-L868 PolarHBondContact O-N 3.42Å; I854-L868 VanDerWaalsContact O-O 3.12Å; I854-T877 HydrophobicContact CD1-CG2 3.64Å; I854-L892 HydrophobicContact CD1-CD1 4.04Å; I854-L892 HydrophobicContact CG1-CB 4.1Å; I854-L892 HydrophobicContact CG1-CD1 3.53Å; I854-L892 HydrophobicContact CG1-CG 4.33Å |
| 855 | R | 89.5 | Confident | 77.9 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 123.1 | 161.8 | -70.7 | -154.8 | -59.5 | 150.8 | 2.6 | 111.1 | R853 F865 I866 T867 F890 H891 E903 | R853-R855 HydrophobicContact CG-CG 4.27Å; R855-F865 HydrophobicContact CB-CB 4.04Å; R855-F865 HydrophobicContact CB-CD1 4.03Å; R855-F865 HydrophobicContact CB-CG 4.26Å; R855-I866 CarbonylContact C-O 3.52Å; R855-I866 WeakPolarHBondContact CA-O 3.49Å; R855-T867 HydrophobicContact CG-CG2 4.26Å; R855-F890 CarbonylContact O-C 3.58Å; R855-F890 WeakPolarHBondContact O-CA 3.25Å; R855-H891 HydrophobicContact CB-CB 4.1Å; R855-H891 PolarHBondContact N-O 3.39Å; R855-H891 PolarHBondContact O-N 3.15Å; R855-E903 IonicContact CZ-OE1 3.67Å; R855-E903 IonicContact CZ-OE2 2.85Å; R855-E903 IonicContact NE-OE1 3.84Å; R855-E903 PolarHBondContact NE-OE1 2.88Å; R855-E903 IonicContact NE-OE2 3.44Å; R855-E903 IonicContact NH2-OE1 3.15Å; R855-E903 PolarHBondContact NH2-OE1 2.85Å; R855-E903 IonicContact NH2-OE2 2.67Å; R855-E903 PolarHBondContact NH2-OE2 3.32Å |
| 856 | Y | 89.9 | Confident | 78.6 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 6% | 0.059 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150.1 | -178.6 | 72.3 | -79.4 | 0 | 0 | 0 | 114.5 | F865 I866 V879 L882 Y888 E889 F890 | Y856-F865 CarbonylContact O-C 3.53Å; Y856-F865 WeakPolarHBondContact O-CA 3.39Å; Y856-I866 HydrophobicContact CD1-CB 4.06Å; Y856-I866 HydrophobicContact CD1-CG2 4.36Å; Y856-I866 WeakPolarHBondContact CD1-O 3.41Å; Y856-I866 HydrophobicContact CE1-CB 3.67Å; Y856-I866 HydrophobicContact CE1-CG2 3.55Å; Y856-I866 HydrophobicContact CE2-CB 4.26Å; Y856-I866 HydrophobicContact CE2-CD1 3.88Å; Y856-I866 PolarHBondContact N-O 2.97Å; Y856-I866 PolarHBondContact O-N 3.22Å; Y856-V879 HydrophobicContact CD1-CG1 3.79Å; Y856-V879 HydrophobicContact CD2-CG1 4.04Å; Y856-V879 HydrophobicContact CE1-CG1 3.38Å; Y856-V879 HydrophobicContact CE2-CG1 3.66Å; Y856-V879 HydrophobicContact CG-CG1 4.1Å; Y856-L882 HydrophobicContact CD2-CD2 4.05Å; Y856-L882 HydrophobicContact CE2-CD2 3.74Å; Y856-Y888 HydrophobicContact CD2-CD1 4.13Å; Y856-Y888 HydrophobicContact CD2-CE1 4.42Å; Y856-E889 VanDerWaalsContact CA-O 3.27Å; Y856-E889 WeakPolarHBondContact CA-O 3.48Å; Y856-F890 HydrophobicContact CD2-CE1 4.08Å; Y856-F890 HydrophobicContact CG-CD1 4.01Å; Y856-F890 AromaticContact CG-CE1 3.93Å; Y856-F890 HydrophobicContact CG-CE1 3.93Å |
| 857 | R | 85.3 | Confident | 79.4 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 162.3 | 178.5 | 65 | 178.4 | -178.7 | 160.7 | 1.5 | 111.5 | F865 Y888 E889 | R857-F865 HydrophobicContact CB-CD1 4.03Å; R857-F865 HydrophobicContact CB-CE1 4.33Å; R857-F865 HydrophobicContact CB-CG 4.44Å; R857-F865 HydrophobicContact CG-CD1 3.8Å; R857-F865 HydrophobicContact CG-CE1 3.58Å; R857-F865 HydrophobicContact CG-CG 4.42Å; R857-F865 HydrophobicContact CG-CZ 4.03Å; R857-F865 VanDerWaalsContact NE-CZ 3.25Å; R857-Y888 CarbonylContact O-C 3.58Å; R857-Y888 VanDerWaalsContact O-CA 3.25Å; R857-Y888 WeakPolarHBondContact O-CA 3.19Å; R857-Y888 WeakPolarHBondContact O-CD1 3.46Å; R857-E889 HydrophobicContact CG-CB 4.4Å; R857-E889 IonicContact CZ-OE2 3.78Å; R857-E889 PolarHBondContact N-O 2.81Å; R857-E889 VanDerWaalsContact N-O 3.09Å; R857-E889 IonicContact NE-OE2 3.58Å; R857-E889 PolarHBondContact NE-OE2 2.87Å; R857-E889 IonicContact NH2-OE2 3.5Å; R857-E889 PolarHBondContact NH2-OE2 3.22Å; R857-E889 PolarHBondContact O-N 3.06Å |
| 858 | T | 80.6 | Confident | 80.1 | Confident | 18 Ų | 18 | 64 Ų | 64 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 143 | 159.4 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | V861 S863 R886 T887 Y888 | T858-V861 PolarHBondContact OG1-O 3.17Å; T858-S863 PolarHBondContact OG1-OG 3.36Å; T858-R886 HydrophobicContact CG2-CB 4.42Å; T858-T887 CarbonylContact C-O 3.44Å; T858-T887 VanDerWaalsContact CA-O 3.25Å; T858-T887 WeakPolarHBondContact CA-O 3.46Å; T858-Y888 HydrophobicContact CG2-CD1 4.21Å; T858-Y888 HydrophobicContact CG2-CE1 3.68Å; T858-Y888 HydrophobicContact CG2-CE2 4.31Å |
| 859 | T | 75.1 | Confident | 80.4 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -81.1 | -30.6 | 172.9 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | V861 T887 E889 | T859-V861 VanDerWaalsContact C-N 3.29Å; T859-V861 PolarHBondContact O-N 2.84Å; T859-T887 HydrophobicContact CG2-CG2 4.15Å; T859-T887 PolarHBondContact N-O 2.97Å; T859-T887 VanDerWaalsContact OG1-CB 3.26Å; T859-T887 WeakPolarHBondContact OG1-CB 3.1Å; T859-T887 VanDerWaalsContact OG1-CG2 3.31Å; T859-T887 WeakPolarHBondContact OG1-CG2 3.42Å; T859-T887 PolarHBondContact OG1-O 2.78Å; T859-E889 HydrophobicContact CG2-CB 3.68Å |
| 860 | D | 68.5 | Low | 80.6 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -81 | -1.3 | -176.4 | 45.4 | -90.8 | 0 | 0 | 0 | 114.4 | R886 T887 | D860-R886 WeakPolarHBondContact OD2-CD 3.47Å; D860-R886 IonicContact OD2-CZ 2.88Å; D860-R886 IonicContact OD2-NE 3.53Å; D860-R886 IonicContact OD2-NH1 3.88Å; D860-R886 PolarHBondContact OD2-NH1 2.98Å; D860-T887 PolarHBondContact OD1-N 3.03Å; D860-T887 VanDerWaalsContact OD1-N 3.1Å |
| 861 | V | 60.7 | Low | 80.5 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -136.4 | 133.2 | 162.6 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | T858 T859 S863 L942 | T858-V861 PolarHBondContact OG1-O 3.17Å; T859-V861 VanDerWaalsContact C-N 3.29Å; T859-V861 PolarHBondContact O-N 2.84Å; V861-S863 PolarHBondContact O-N 3.01Å; V861-S863 PolarHBondContact O-OG 3.35Å; V861-L942 HydrophobicContact CG2-CD2 4.21Å |
| 862 | L | 52.6 | Low | 80.1 | Confident | 155 Ų | 155 | 59.5 Ų | 59.5 | 81% | 0.812 | 32% | 0.316 | S | S | * | . | trans | -73.3 | 56.5 | 174 | -77.9 | 169.7 | 0 | 0 | 0 | 111.9 | ||||
| 863 | S | 60.2 | Low | 79.8 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 152.8 | 174 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | T858 V861 | T858-S863 PolarHBondContact OG1-OG 3.36Å; V861-S863 PolarHBondContact O-N 3.01Å; V861-S863 PolarHBondContact O-OG 3.35Å |
| 864 | N | 66.4 | Low | 79.4 | Confident | 152 Ų | 152 | 66.1 Ų | 66.1 | 81% | 0.813 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -59 | 143 | 167.3 | -69.2 | -28.1 | 0 | 0 | 0 | 110.5 | I866 | N864-I866 PolarHBondContact O-N 2.95Š|
| 865 | F | 81.1 | Confident | 79.3 | Confident | 50 Ų | 50 | 70.5 Ų | 70.5 | 22% | 0.219 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 119.4 | 173.1 | -75.3 | -87 | 0 | 0 | 0 | 110.7 | R855 Y856 R857 T867 H891 | R855-F865 HydrophobicContact CB-CB 4.04Å; R855-F865 HydrophobicContact CB-CD1 4.03Å; R855-F865 HydrophobicContact CB-CG 4.26Å; Y856-F865 CarbonylContact O-C 3.53Å; Y856-F865 WeakPolarHBondContact O-CA 3.39Å; R857-F865 HydrophobicContact CB-CD1 4.03Å; R857-F865 HydrophobicContact CB-CE1 4.33Å; R857-F865 HydrophobicContact CB-CG 4.44Å; R857-F865 HydrophobicContact CG-CD1 3.8Å; R857-F865 HydrophobicContact CG-CE1 3.58Å; R857-F865 HydrophobicContact CG-CG 4.42Å; R857-F865 HydrophobicContact CG-CZ 4.03Å; R857-F865 VanDerWaalsContact NE-CZ 3.25Å; F865-T867 PolarHBondContact O-N 3.2Å; F865-H891 AromaticContact CE1-CD2 3.48Å; F865-H891 VanDerWaalsContact CE1-CD2 3.48Å; F865-H891 WeakPolarHBondContact CE1-CD2 3.48Å; F865-H891 AromaticContact CE1-NE2 3.66Å; F865-H891 AromaticContact CZ-CD2 3.82Å; F865-H891 AromaticContact CZ-CE1 3.9Å; F865-H891 AromaticContact CZ-NE2 3.48Å; F865-H891 WeakPolarHBondContact CZ-NE2 3.27Å |
| 866 | I | 82.5 | Confident | 79.4 | Confident | 95 Ų | 95 | 70.5 Ų | 70.5 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 122.2 | 166.8 | -56.5 | 174.3 | 0 | 0 | 0 | 106.8 | R855 Y856 N864 | R855-I866 CarbonylContact C-O 3.52Å; R855-I866 WeakPolarHBondContact CA-O 3.49Å; Y856-I866 HydrophobicContact CD1-CB 4.06Å; Y856-I866 HydrophobicContact CD1-CG2 4.36Å; Y856-I866 WeakPolarHBondContact CD1-O 3.41Å; Y856-I866 HydrophobicContact CE1-CB 3.67Å; Y856-I866 HydrophobicContact CE1-CG2 3.55Å; Y856-I866 HydrophobicContact CE2-CB 4.26Å; Y856-I866 HydrophobicContact CE2-CD1 3.88Å; Y856-I866 PolarHBondContact N-O 2.97Å; Y856-I866 PolarHBondContact O-N 3.22Å; N864-I866 PolarHBondContact O-N 2.95Å |
| 867 | T | 84 | Confident | 79.5 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.7 | -179.2 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | R853 I854 R855 F865 | R853-T867 HydrophobicContact CG-CG2 4Å; I854-T867 CarbonylContact O-C 3.59Å; I854-T867 VanDerWaalsContact O-CA 3.24Å; I854-T867 WeakPolarHBondContact O-CA 3.47Å; I854-T867 WeakPolarHBondContact O-CG2 3.42Å; R855-T867 HydrophobicContact CG-CG2 4.26Å; F865-T867 PolarHBondContact O-N 3.2Å |
| 868 | L | 87.5 | Confident | 79.7 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.2 | 170 | -171.4 | 87.7 | 0 | 0 | 0 | 107.7 | I854 V870 T877 | I854-L868 WeakPolarHBondContact CA-O 3.34Å; I854-L868 HydrophobicContact CB-CB 4.4Å; I854-L868 PolarHBondContact N-O 3.25Å; I854-L868 PolarHBondContact O-N 3.42Å; I854-L868 VanDerWaalsContact O-O 3.12Å; L868-V870 HydrophobicContact CD2-CG2 3.95Å; L868-T877 HydrophobicContact CD2-CG2 3.85Å |
| 869 | T | 87.9 | Confident | 80 | Confident | 86 Ų | 86 | 69.8 Ų | 69.8 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144 | 169.3 | 45.8 | 0 | 0 | 0 | 0 | 110.1 | Y852 | Y852-T869 WeakPolarHBondContact O-CA 3.37Å |
| 870 | V | 88.7 | Confident | 80.4 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.042 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.9 | -176.7 | 173.4 | 0 | 0 | 0 | 0 | 107.5 | W838 R851 Y852 L868 Q874 T877 | W838-V870 HydrophobicContact CH2-CB 4.4Å; W838-V870 HydrophobicContact CH2-CG1 4Å; W838-V870 HydrophobicContact CH2-CG2 4.31Å; W838-V870 HydrophobicContact CZ2-CB 4.32Å; W838-V870 HydrophobicContact CZ2-CG1 3.84Å; R851-V870 CarbonylContact C-O 3.51Å; R851-V870 WeakPolarHBondContact CA-O 3.35Å; R851-V870 WeakPolarHBondContact CB-O 3.45Å; Y852-V870 PolarHBondContact N-O 2.89Å; Y852-V870 PolarHBondContact O-N 2.97Å; L868-V870 HydrophobicContact CD2-CG2 3.95Å; V870-Q874 HydrophobicContact CG1-CB 3.42Å; V870-Q874 VanDerWaalsContact CG1-CB 3.42Å; V870-Q874 HydrophobicContact CG1-CG 4.49Å; V870-T877 HydrophobicContact CG2-CG2 3.99Å |
| 871 | D | 85.7 | Confident | 80.8 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 153.5 | -175.4 | -63.1 | -41.3 | 0 | 0 | 0 | 112.3 | N873 Q874 | D871-N873 VanDerWaalsContact CB-OD1 3.27Å; D871-N873 WeakPolarHBondContact CB-OD1 3.48Å; D871-N873 PolarHBondContact O-N 2.03Å; D871-N873 VanDerWaalsContact O-N 3.09Å; D871-Q874 PolarHBondContact O-N 3.27Å |
| 872 | A | 83.2 | Confident | 81.8 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V849 L850 Q874 | V849-A872 HydrophobicContact CB-CB 4.34Å; V849-A872 HydrophobicContact CG1-CB 4.06Å; V849-A872 WeakPolarHBondContact O-CB 3.29Å; L850-A872 WeakPolarHBondContact O-CB 3.42Å; A872-Q874 VanDerWaalsContact C-N 3.31Å |
| 873 | N | 84.4 | Confident | 83 | Confident | 131 Ų | 131 | 67.5 Ų | 67.5 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12.2 | 175.9 | 62.5 | 5 | 0 | 0 | 0 | 113.5 | D871 | D871-N873 VanDerWaalsContact CB-OD1 3.27Å; D871-N873 WeakPolarHBondContact CB-OD1 3.48Å; D871-N873 PolarHBondContact O-N 2.03Å; D871-N873 VanDerWaalsContact O-N 3.09Å |
| 874 | Q | 83.9 | Confident | 84 | Confident | 88 Ų | 88 | 66 Ų | 66 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | trans | -103.4 | 126 | 179.7 | -72.5 | 178.1 | 22.8 | 0 | 0 | 111.1 | W838 Y852 V870 D871 A872 | W838-Q874 WeakPolarHBondContact CZ2-O 3.26Å; Y852-Q874 WeakPolarHBondContact CD2-O 3.12Å; V870-Q874 HydrophobicContact CG1-CB 3.42Å; V870-Q874 VanDerWaalsContact CG1-CB 3.42Å; V870-Q874 HydrophobicContact CG1-CG 4.49Å; D871-Q874 PolarHBondContact O-N 3.27Å; A872-Q874 VanDerWaalsContact C-N 3.31Å | ||
| 875 | R | 88.4 | Confident | 84.4 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | trans | -116.9 | 22.3 | 176.5 | -46.9 | -172.7 | -161.2 | -160.1 | -1.1 | 113.6 | K837 W838 E840 | K837-R875 WeakPolarHBondContact CA-O 3.38Å; W838-R875 HydrophobicContact CG-CB 4.45Å; W838-R875 PolarHBondContact N-O 2.9Å; W838-R875 WeakPolarHBondContact O-CB 3.24Å; E840-R875 VanDerWaalsContact CG-NH1 3.31Å; E840-R875 IonicContact OE1-CZ 3.37Å; E840-R875 IonicContact OE1-NH1 2.72Å; E840-R875 IonicContact OE1-NH2 2.72Å; E840-R875 PolarHBondContact OE1-NH2 3.17Å; E840-R875 IonicContact OE2-CZ 3.4Å; E840-R875 IonicContact OE2-NH1 3.56Å; E840-R875 PolarHBondContact OE2-NH1 3.27Å; E840-R875 IonicContact OE2-NH2 3.23Å; E840-R875 PolarHBondContact OE2-NH2 3.11Å | ||
| 876 | T | 91.3 | Very high | 84.4 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 146.5 | 175.7 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | L836 | L836-T876 CarbonylContact O-C 3.58Å; L836-T876 WeakPolarHBondContact O-CA 3.39Å; L836-T876 WeakPolarHBondContact O-CB 3.42Å; L836-T876 PolarHBondContact O-OG1 2.9Å |
| 877 | T | 91 | Very high | 84.4 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 17% | 0.172 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 168.6 | 170.3 | -166 | 0 | 0 | 0 | 0 | 110.9 | R835 L836 W838 I854 L868 V870 V879 | R835-T877 CarbonylContact C-O 3.55Å; R835-T877 VanDerWaalsContact CA-O 3.3Å; R835-T877 WeakPolarHBondContact CA-O 3.35Å; R835-T877 WeakPolarHBondContact CG-O 3.24Å; L836-T877 HydrophobicContact CB-CG2 4.45Å; L836-T877 PolarHBondContact N-O 2.98Å; L836-T877 PolarHBondContact O-N 3.31Å; W838-T877 HydrophobicContact CH2-CG2 3.96Å; W838-T877 HydrophobicContact CZ3-CG2 4.06Å; I854-T877 HydrophobicContact CD1-CG2 3.64Å; L868-T877 HydrophobicContact CD2-CG2 3.85Å; V870-T877 HydrophobicContact CG2-CG2 3.99Å; T877-V879 HydrophobicContact CG2-CG2 4.4Å |
| 878 | V | 89.7 | Confident | 84.6 | Confident | 45 Ų | 45 | 53 Ų | 53 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.1 | 171.4 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | R833 L834 R835 | R833-V878 HydrophobicContact CB-CG1 4.3Å; L834-V878 CarbonylContact O-C 3.54Å; L834-V878 WeakPolarHBondContact O-CA 3.47Å; R835-V878 HydrophobicContact CB-CG2 4.19Å; R835-V878 HydrophobicContact CG-CG2 4.23Å |
| 879 | V | 87.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.5 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | L834 L836 Y856 T877 L882 F890 | L834-V879 PolarHBondContact N-O 3.46Å; L834-V879 VanDerWaalsContact N-O 3.11Å; L834-V879 PolarHBondContact O-N 3.31Å; L836-V879 HydrophobicContact CD1-CG2 3.82Å; Y856-V879 HydrophobicContact CD1-CG1 3.79Å; Y856-V879 HydrophobicContact CD2-CG1 4.04Å; Y856-V879 HydrophobicContact CE1-CG1 3.38Å; Y856-V879 HydrophobicContact CE2-CG1 3.66Å; Y856-V879 HydrophobicContact CG-CG1 4.1Å; T877-V879 HydrophobicContact CG2-CG2 4.4Å; V879-L882 HydrophobicContact CG1-CD2 4.31Å; V879-F890 HydrophobicContact CB-CE1 4.1Å; V879-F890 HydrophobicContact CG1-CE1 4.01Å; V879-F890 HydrophobicContact CG2-CE1 4.18Å |
| 880 | E | 83.2 | Confident | 84.6 | Confident | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 158.3 | -178.5 | 61.8 | -170.2 | 120.9 | 0 | 0 | 109.8 | R833 | R833-E880 HydrophobicContact CG-CB 4.11Å; R833-E880 IonicContact CZ-OE1 2.73Å; R833-E880 IonicContact CZ-OE2 2.69Å; R833-E880 VanDerWaalsContact NE-CD 3.26Å; R833-E880 IonicContact NE-OE1 2.79Å; R833-E880 PolarHBondContact NE-OE1 3.05Å; R833-E880 IonicContact NE-OE2 3.89Å; R833-E880 PolarHBondContact NE-OE2 3.37Å; R833-E880 IonicContact NH2-OE1 3.77Å; R833-E880 PolarHBondContact NH2-OE1 2.81Å; R833-E880 IonicContact NH2-OE2 3.57Å; R833-E880 PolarHBondContact NH2-OE2 3.35Å |
| 881 | P | 77.3 | Confident | 84.7 | Confident | 92 Ų | 92 | 48 Ų | 48 | 60% | 0.597 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -81.8 | 137.2 | -9.7 | 33.1 | -33.3 | 0 | 0 | 0 | 112.1 | P831 | P831-P881 HydrophobicContact CB-CB 3.43Å; P831-P881 VanDerWaalsContact CB-CB 3.43Å; P831-P881 HydrophobicContact CG-CB 4.31Å |
| 882 | L | 81.9 | Confident | 85 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.5 | 169.5 | -53.1 | 174.8 | 0 | 0 | 0 | 109.8 | V832 L834 Y856 V879 Y888 F890 T910 | V832-L882 HydrophobicContact CB-CB 4.01Å; V832-L882 WeakPolarHBondContact CB-O 3.28Å; V832-L882 HydrophobicContact CG1-CB 4.37Å; V832-L882 PolarHBondContact N-O 2.8Å; V832-L882 WeakPolarHBondContact O-CB 3.5Å; V832-L882 PolarHBondContact O-N 3.5Å; L834-L882 HydrophobicContact CB-CD1 3.62Å; L834-L882 HydrophobicContact CD2-CD1 4.42Å; Y856-L882 HydrophobicContact CD2-CD2 4.05Å; Y856-L882 HydrophobicContact CE2-CD2 3.74Å; V879-L882 HydrophobicContact CG1-CD2 4.31Å; L882-Y888 HydrophobicContact CB-CE2 3.97Å; L882-Y888 HydrophobicContact CD2-CD1 3.84Å; L882-Y888 HydrophobicContact CD2-CD2 4.38Å; L882-Y888 HydrophobicContact CD2-CE1 3.65Å; L882-Y888 HydrophobicContact CD2-CE2 4.2Å; L882-Y888 HydrophobicContact CD2-CG 4.19Å; L882-F890 HydrophobicContact CD1-CZ 4.02Å; L882-F890 HydrophobicContact CD2-CZ 4.33Å; L882-T910 HydrophobicContact CB-CG2 4.25Å |
| 883 | R | 77.9 | Confident | 85.4 | Confident | 111 Ų | 111 | 42.2 Ų | 42.2 | 42% | 0.419 | 22% | 0.217 | S | C | . | . | trans | -88.3 | 149.2 | 178.3 | -62.7 | -167.9 | -173.7 | -165.4 | 15.9 | 111.3 | R886 Y888 T910 E943 | R883-R886 HydrophobicContact CB-CG 4.2Å; R883-Y888 PolarHBondContact N-OH 3.41Å; R883-T910 WeakPolarHBondContact O-CB 3.34Å; R883-T910 PolarHBondContact O-OG1 2.92Å; R883-E943 IonicContact CZ-OE2 2.74Å; R883-E943 IonicContact NH1-OE2 2.75Å; R883-E943 PolarHBondContact NH1-OE2 3.43Å; R883-E943 IonicContact NH2-OE2 3.35Å; R883-E943 PolarHBondContact NH2-OE2 2.92Å | ||
| 884 | N | 81.1 | Confident | 85.7 | Confident | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 149.7 | 175.3 | -74.5 | 94.2 | 0 | 0 | 0 | 113.5 | V828 V832 R886 P911 A913 | V828-N884 PolarHBondContact O-ND2 2.85Å; V832-N884 WeakPolarHBondContact CG2-ND2 3.49Å; N884-R886 VanDerWaalsContact C-N 3.33Å; N884-R886 PolarHBondContact O-N 2.85Å; N884-P911 CarbonylContact C-O 3.21Å; N884-P911 WeakPolarHBondContact CA-O 3.35Å; N884-P911 WeakPolarHBondContact CB-O 3.32Å; N884-P911 PolarHBondContact ND2-O 2.91Å; N884-A913 HydrophobicContact CB-CB 4.13Å |
| 885 | G | 75.7 | Confident | 85.9 | Confident | 20 Ų | 20 | 33.2 Ų | 33.2 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 30.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T910 P911 N946 | G885-T910 PolarHBondContact N-O 2.65Å; G885-T910 PolarHBondContact N-OG1 2.84Å; G885-T910 VanDerWaalsContact N-OG1 3.13Å; G885-P911 PolarHBondContact N-O 3.5Å; G885-N946 WeakPolarHBondContact CA-O 3.49Å |
| 886 | R | 79.9 | Confident | 85.8 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | trans | -128.4 | 144.9 | -173.3 | -71 | -70.5 | -176.1 | 132.8 | 4.4 | 111.1 | T858 D860 R883 N884 Y888 T910 L942 E943 | T858-R886 HydrophobicContact CG2-CB 4.42Å; D860-R886 WeakPolarHBondContact OD2-CD 3.47Å; D860-R886 IonicContact OD2-CZ 2.88Å; D860-R886 IonicContact OD2-NE 3.53Å; D860-R886 IonicContact OD2-NH1 3.88Å; D860-R886 PolarHBondContact OD2-NH1 2.98Å; R883-R886 HydrophobicContact CB-CG 4.2Å; N884-R886 VanDerWaalsContact C-N 3.33Å; N884-R886 PolarHBondContact O-N 2.85Å; R886-Y888 HydrophobicContact CB-CD2 4.31Å; R886-Y888 HydrophobicContact CB-CE2 3.74Å; R886-T910 PolarHBondContact N-OG1 2.84Å; R886-T910 PolarHBondContact O-N 3.01Å; R886-T910 PolarHBondContact O-OG1 2.86Å; R886-L942 PolarHBondContact NH2-O 3.39Å; R886-E943 VanDerWaalsContact NH2-CA 3.31Å | ||
| 887 | T | 83.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 29.1 Ų | 29.1 | 22% | 0.221 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.2 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 109.1 | T858 T859 D860 I908 I909 | T858-T887 CarbonylContact C-O 3.44Å; T858-T887 VanDerWaalsContact CA-O 3.25Å; T858-T887 WeakPolarHBondContact CA-O 3.46Å; T859-T887 HydrophobicContact CG2-CG2 4.15Å; T859-T887 PolarHBondContact N-O 2.97Å; T859-T887 VanDerWaalsContact OG1-CB 3.26Å; T859-T887 WeakPolarHBondContact OG1-CB 3.1Å; T859-T887 VanDerWaalsContact OG1-CG2 3.31Å; T859-T887 WeakPolarHBondContact OG1-CG2 3.42Å; T859-T887 PolarHBondContact OG1-O 2.78Å; D860-T887 PolarHBondContact OD1-N 3.03Å; D860-T887 VanDerWaalsContact OD1-N 3.1Å; T887-I908 CarbonylContact C-O 3.59Å; T887-I908 WeakPolarHBondContact CA-O 3.46Å; T887-I909 HydrophobicContact CG2-CG1 4.25Å |
| 888 | Y | 86.2 | Confident | 84.5 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 6% | 0.059 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.6 | 180 | -74.1 | -92.7 | 0 | 0 | 0 | 111.5 | Y856 R857 T858 L882 R883 R886 F890 K907 I908 T910 | Y856-Y888 HydrophobicContact CD2-CD1 4.13Å; Y856-Y888 HydrophobicContact CD2-CE1 4.42Å; R857-Y888 CarbonylContact O-C 3.58Å; R857-Y888 VanDerWaalsContact O-CA 3.25Å; R857-Y888 WeakPolarHBondContact O-CA 3.19Å; R857-Y888 WeakPolarHBondContact O-CD1 3.46Å; T858-Y888 HydrophobicContact CG2-CD1 4.21Å; T858-Y888 HydrophobicContact CG2-CE1 3.68Å; T858-Y888 HydrophobicContact CG2-CE2 4.31Å; L882-Y888 HydrophobicContact CB-CE2 3.97Å; L882-Y888 HydrophobicContact CD2-CD1 3.84Å; L882-Y888 HydrophobicContact CD2-CD2 4.38Å; L882-Y888 HydrophobicContact CD2-CE1 3.65Å; L882-Y888 HydrophobicContact CD2-CE2 4.2Å; L882-Y888 HydrophobicContact CD2-CG 4.19Å; R883-Y888 PolarHBondContact N-OH 3.41Å; R886-Y888 HydrophobicContact CB-CD2 4.31Å; R886-Y888 HydrophobicContact CB-CE2 3.74Å; Y888-F890 VanDerWaalsContact CB-CE2 3.49Å; Y888-F890 HydrophobicContact CG-CZ 4.44Å; Y888-K907 CarbonylContact O-C 3.56Å; Y888-K907 VanDerWaalsContact O-CA 3.29Å; Y888-K907 WeakPolarHBondContact O-CA 3.3Å; Y888-I908 PolarHBondContact N-O 3.1Å; Y888-I908 PolarHBondContact O-N 3.13Å; Y888-T910 HydrophobicContact CD2-CG2 3.74Å; Y888-T910 HydrophobicContact CE2-CG2 3.84Å |
| 889 | E | 86.9 | Confident | 84 | Confident | 19 Ų | 19 | 30.8 Ų | 30.8 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.6 | 175.3 | -179.8 | 178.6 | -112.9 | 0 | 0 | 108.1 | Y856 R857 T859 H891 V905 K907 | Y856-E889 VanDerWaalsContact CA-O 3.27Å; Y856-E889 WeakPolarHBondContact CA-O 3.48Å; R857-E889 HydrophobicContact CG-CB 4.4Å; R857-E889 IonicContact CZ-OE2 3.78Å; R857-E889 PolarHBondContact N-O 2.81Å; R857-E889 VanDerWaalsContact N-O 3.09Å; R857-E889 IonicContact NE-OE2 3.58Å; R857-E889 PolarHBondContact NE-OE2 2.87Å; R857-E889 IonicContact NH2-OE2 3.5Å; R857-E889 PolarHBondContact NH2-OE2 3.22Å; R857-E889 PolarHBondContact O-N 3.06Å; T859-E889 HydrophobicContact CG2-CB 3.68Å; E889-H891 IonicContact OE2-NE2 3.54Å; E889-V905 HydrophobicContact CG-CG1 3.93Å; E889-K907 HydrophobicContact CB-CG 4.13Å; E889-K907 HydrophobicContact CG-CG 4.1Å; E889-K907 WeakPolarHBondContact OE1-CE 3Å; E889-K907 IonicContact OE1-NZ 3.86Å; E889-K907 PolarHBondContact OE1-NZ 3.09Å |
| 890 | F | 90.3 | Very high | 83.8 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.6 | -179.4 | -57.8 | -98.9 | 0 | 0 | 0 | 109.4 | L834 L836 R855 Y856 V879 L882 Y888 V905 V906 I908 | L834-F890 HydrophobicContact CD2-CD2 4.35Å; L834-F890 HydrophobicContact CD2-CE1 4.07Å; L834-F890 HydrophobicContact CD2-CE2 3.54Å; L834-F890 HydrophobicContact CD2-CZ 3.39Å; L836-F890 HydrophobicContact CD1-CB 4.46Å; L836-F890 HydrophobicContact CD1-CD1 3.85Å; L836-F890 HydrophobicContact CD1-CE1 4.5Å; L836-F890 HydrophobicContact CD1-CG 4.35Å; R855-F890 CarbonylContact O-C 3.58Å; R855-F890 WeakPolarHBondContact O-CA 3.25Å; Y856-F890 HydrophobicContact CD2-CE1 4.08Å; Y856-F890 HydrophobicContact CG-CD1 4.01Å; Y856-F890 AromaticContact CG-CE1 3.93Å; Y856-F890 HydrophobicContact CG-CE1 3.93Å; V879-F890 HydrophobicContact CB-CE1 4.1Å; V879-F890 HydrophobicContact CG1-CE1 4.01Å; V879-F890 HydrophobicContact CG2-CE1 4.18Å; L882-F890 HydrophobicContact CD1-CZ 4.02Å; L882-F890 HydrophobicContact CD2-CZ 4.33Å; Y888-F890 VanDerWaalsContact CB-CE2 3.49Å; Y888-F890 HydrophobicContact CG-CZ 4.44Å; F890-V905 CarbonylContact O-C 3.52Å; F890-V905 VanDerWaalsContact O-CA 3.27Å; F890-V905 WeakPolarHBondContact O-CA 3.22Å; F890-V906 HydrophobicContact CB-CG1 3.89Å; F890-V906 HydrophobicContact CD2-CG1 4.49Å; F890-V906 PolarHBondContact N-O 3.2Å; F890-V906 PolarHBondContact O-N 3.25Å; F890-I908 HydrophobicContact CE2-CB 4.44Å |
| 891 | H | 90.4 | Very high | 83.8 | Confident | 27 Ų | 27 | 30 Ų | 30 | 13% | 0.125 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.8 | 174.2 | -73 | -135.4 | 0 | 0 | 0 | 108.2 | R855 F865 E889 E903 G904 | R855-H891 HydrophobicContact CB-CB 4.1Å; R855-H891 PolarHBondContact N-O 3.39Å; R855-H891 PolarHBondContact O-N 3.15Å; F865-H891 AromaticContact CE1-CD2 3.48Å; F865-H891 VanDerWaalsContact CE1-CD2 3.48Å; F865-H891 WeakPolarHBondContact CE1-CD2 3.48Å; F865-H891 AromaticContact CE1-NE2 3.66Å; F865-H891 AromaticContact CZ-CD2 3.82Å; F865-H891 AromaticContact CZ-CE1 3.9Å; F865-H891 AromaticContact CZ-NE2 3.48Å; F865-H891 WeakPolarHBondContact CZ-NE2 3.27Å; E889-H891 IonicContact OE2-NE2 3.54Å; H891-E903 HydrophobicContact CB-CB 4.24Å; H891-E903 HydrophobicContact CB-CG 4.28Å; H891-E903 IonicContact CE1-OE2 3.39Å; H891-E903 IonicContact CG-OE2 3.13Å; H891-E903 IonicContact ND1-OE2 2.85Å; H891-E903 PolarHBondContact ND1-OE2 2.93Å; H891-G904 CarbonylContact C-O 3.58Å; H891-G904 WeakPolarHBondContact CA-O 3.47Å |
| 892 | L | 92.4 | Very high | 84 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 119.3 | -179.7 | 165.7 | 65.2 | 0 | 0 | 0 | 109.5 | P818 I821 W838 Y852 R853 I854 E903 G904 | P818-L892 HydrophobicContact CB-CD2 3.95Å; P818-L892 HydrophobicContact CB-CG 4.11Å; P818-L892 WeakPolarHBondContact CD-O 3.45Å; P818-L892 HydrophobicContact CG-CD1 4.48Å; P818-L892 HydrophobicContact CG-CD2 4.37Å; P818-L892 HydrophobicContact CG-CG 3.98Å; I821-L892 HydrophobicContact CD1-CB 4.1Å; I821-L892 HydrophobicContact CD1-CD2 3.92Å; I821-L892 HydrophobicContact CD1-CG 4.38Å; I821-L892 HydrophobicContact CG1-CD2 3.99Å; I821-L892 HydrophobicContact CG2-CD2 4.35Å; W838-L892 HydrophobicContact CB-CD2 3.61Å; W838-L892 HydrophobicContact CD2-CD1 4.32Å; W838-L892 HydrophobicContact CD2-CD2 3.51Å; W838-L892 HydrophobicContact CE3-CD2 3.81Å; W838-L892 HydrophobicContact CG-CD2 3.44Å; W838-L892 VanDerWaalsContact CG-CD2 3.44Å; W838-L892 HydrophobicContact CZ2-CD1 4.43Å; Y852-L892 HydrophobicContact CD1-CD1 4.03Å; Y852-L892 HydrophobicContact CG-CD1 4.37Å; R853-L892 WeakPolarHBondContact O-CA 3.44Å; I854-L892 HydrophobicContact CD1-CD1 4.04Å; I854-L892 HydrophobicContact CG1-CB 4.1Å; I854-L892 HydrophobicContact CG1-CD1 3.53Å; I854-L892 HydrophobicContact CG1-CG 4.33Å; L892-E903 CarbonylContact O-C 3.58Å; L892-E903 WeakPolarHBondContact O-CA 2.92Å; L892-G904 PolarHBondContact N-O 2.83Å; L892-G904 PolarHBondContact O-N 3.2Å |
| 893 | A | 90.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 158.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y852 R853 V900 G901 E902 E903 | Y852-A893 CarbonylContact C-O 3.56Å; Y852-A893 WeakPolarHBondContact CA-O 3.44Å; R853-A893 PolarHBondContact N-O 3.41Å; R853-A893 PolarHBondContact O-N 2.97Å; A893-V900 HydrophobicContact CB-CG1 3.59Å; A893-G901 WeakPolarHBondContact CB-O 3.22Å; A893-E902 WeakPolarHBondContact CB-O 3.14Å; A893-E903 HydrophobicContact CB-CG 3.7Å |
| 894 | A | 90.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 148.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P815 P818 P841 V849 Y852 G901 | P815-A894 HydrophobicContact CB-CB 4.04Å; P815-A894 HydrophobicContact CG-CB 4.13Å; P818-A894 HydrophobicContact CG-CB 4.07Å; P841-A894 HydrophobicContact CG-CB 3.37Å; V849-A894 HydrophobicContact CG1-CB 3.91Å; V849-A894 HydrophobicContact CG2-CB 4.03Å; Y852-A894 HydrophobicContact CD1-CB 3.89Å; Y852-A894 HydrophobicContact CE1-CB 3.74Å; A894-G901 WeakPolarHBondContact O-CA 3.48Å; A894-G901 PolarHBondContact O-N 2.81Å |
| 895 | E | 88.4 | Confident | 84.9 | Confident | 30 Ų | 30 | 32.6 Ų | 32.6 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.1 | -179.8 | -176 | 175.2 | 161.4 | 0 | 0 | 109.2 | V849 L850 R851 G899 V900 | V849-E895 CarbonylContact C-O 3.48Å; V849-E895 WeakPolarHBondContact CA-O 3.39Å; L850-E895 PolarHBondContact N-O 3.4Å; R851-E895 HydrophobicContact CG-CB 4.03Å; R851-E895 HydrophobicContact CG-CG 4.47Å; R851-E895 IonicContact CZ-OE1 3.57Å; R851-E895 IonicContact CZ-OE2 3.77Å; R851-E895 PolarHBondContact N-O 2.83Å; R851-E895 VanDerWaalsContact NE-CD 3.26Å; R851-E895 IonicContact NE-OE1 2.64Å; R851-E895 PolarHBondContact NE-OE1 2.95Å; R851-E895 IonicContact NE-OE2 3.34Å; R851-E895 PolarHBondContact NE-OE2 3.25Å; R851-E895 IonicContact NH2-OE1 3.37Å; R851-E895 PolarHBondContact NH2-OE1 2.82Å; R851-E895 IonicContact NH2-OE2 2.73Å; R851-E895 PolarHBondContact NH2-OE2 3.32Å; R851-E895 PolarHBondContact O-N 3.49Å; E895-G899 WeakPolarHBondContact CA-O 3.42Å; E895-V900 HydrophobicContact CB-CG2 4.25Å; E895-V900 HydrophobicContact CG-CG2 3.88Å |
| 896 | N | 86 | Confident | 85.5 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -173 | 171.6 | 72.7 | 8.3 | 0 | 0 | 0 | 110 | L813 P815 T844 H847 P848 Q898 G899 | L813-N896 PolarHBondContact O-ND2 3.35Å; P815-N896 HydrophobicContact CG-CB 3.78Å; T844-N896 PolarHBondContact O-ND2 2.81Å; H847-N896 HydrophobicContact CB-CB 3.96Å; P848-N896 VanDerWaalsContact O-CB 3.27Å; P848-N896 WeakPolarHBondContact O-CB 3.49Å; N896-Q898 PolarHBondContact O-N 2.84Å; N896-Q898 VanDerWaalsContact O-N 3.08Å; N896-Q898 WeakPolarHBondContact OD1-CA 3.45Å; N896-Q898 WeakPolarHBondContact OD1-CB 3.33Å; N896-Q898 PolarHBondContact OD1-N 2.79Å; N896-G899 PolarHBondContact N-O 2.9Å; N896-G899 PolarHBondContact O-N 2.69Å; N896-G899 PolarHBondContact OD1-N 2.83Å |
| 897 | A | 79.9 | Confident | 85.8 | Confident | 65 Ų | 65 | 37.3 Ų | 37.3 | 54% | 0.537 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | H847 | H847-A897 HydrophobicContact CB-CB 4.37Š|
| 898 | Q | 75.9 | Confident | 85.8 | Confident | 85 Ų | 85 | 37 Ų | 37 | 40% | 0.397 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -6.3 | 176.4 | -53.7 | -63.8 | -19.4 | 0 | 0 | 113 | A812 P814 H847 N896 | A812-Q898 HydrophobicContact CB-CG 3.7Å; P814-Q898 HydrophobicContact CG-CB 4.42Å; H847-Q898 PolarHBondContact NE2-NE2 2.77Å; N896-Q898 PolarHBondContact O-N 2.84Å; N896-Q898 VanDerWaalsContact O-N 3.08Å; N896-Q898 WeakPolarHBondContact OD1-CA 3.45Å; N896-Q898 WeakPolarHBondContact OD1-CB 3.33Å; N896-Q898 PolarHBondContact OD1-N 2.79Å |
| 899 | G | 77.8 | Confident | 85.6 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 24% | 0.237 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.3 | -167.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E895 N896 | E895-G899 WeakPolarHBondContact CA-O 3.42Å; N896-G899 PolarHBondContact N-O 2.9Å; N896-G899 PolarHBondContact O-N 2.69Å; N896-G899 PolarHBondContact OD1-N 2.83Å |
| 900 | V | 84.4 | Confident | 85.4 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.5 | -176.9 | -175.6 | 0 | 0 | 0 | 0 | 110 | P814 A893 E895 | P814-V900 WeakPolarHBondContact CB-O 3.23Å; A893-V900 HydrophobicContact CB-CG1 3.59Å; E895-V900 HydrophobicContact CB-CG2 4.25Å; E895-V900 HydrophobicContact CG-CG2 3.88Å |
| 901 | G | 82.4 | Confident | 84.9 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | trans | -75.5 | -172 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P815 A893 A894 | P815-G901 CarbonylContact O-C 3.48Å; P815-G901 WeakPolarHBondContact O-CA 2.78Å; A893-G901 WeakPolarHBondContact CB-O 3.22Å; A894-G901 WeakPolarHBondContact O-CA 3.48Å; A894-G901 PolarHBondContact O-N 2.81Å | ||
| 902 | E | 82.8 | Confident | 84.4 | Confident | 132 Ų | 132 | 44.3 Ų | 44.3 | 62% | 0.617 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 141.4 | 176.1 | -171.2 | 176.3 | -144 | 0 | 0 | 111.2 | P815 A817 A893 | P815-E902 PolarHBondContact O-N 2.82Å; A817-E902 WeakPolarHBondContact CA-O 3.3Å; A817-E902 HydrophobicContact CB-CB 4.26Å; A817-E902 HydrophobicContact CB-CG 4.2Å; A893-E902 WeakPolarHBondContact CB-O 3.14Å |
| 903 | E | 86.5 | Confident | 83.9 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 118.7 | -178.8 | -74.7 | -179.4 | 152.5 | 0 | 0 | 111.4 | R855 H891 L892 A893 | R855-E903 IonicContact CZ-OE1 3.67Å; R855-E903 IonicContact CZ-OE2 2.85Å; R855-E903 IonicContact NE-OE1 3.84Å; R855-E903 PolarHBondContact NE-OE1 2.88Å; R855-E903 IonicContact NE-OE2 3.44Å; R855-E903 IonicContact NH2-OE1 3.15Å; R855-E903 PolarHBondContact NH2-OE1 2.85Å; R855-E903 IonicContact NH2-OE2 2.67Å; R855-E903 PolarHBondContact NH2-OE2 3.32Å; H891-E903 HydrophobicContact CB-CB 4.24Å; H891-E903 HydrophobicContact CB-CG 4.28Å; H891-E903 IonicContact CE1-OE2 3.39Å; H891-E903 IonicContact CG-OE2 3.13Å; H891-E903 IonicContact ND1-OE2 2.85Å; H891-E903 PolarHBondContact ND1-OE2 2.93Å; L892-E903 CarbonylContact O-C 3.58Å; L892-E903 WeakPolarHBondContact O-CA 2.92Å; A893-E903 HydrophobicContact CB-CG 3.7Å |
| 904 | G | 84.4 | Confident | 83.6 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 138.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | H891 L892 | H891-G904 CarbonylContact C-O 3.58Å; H891-G904 WeakPolarHBondContact CA-O 3.47Å; L892-G904 PolarHBondContact N-O 2.83Å; L892-G904 PolarHBondContact O-N 3.2Å |
| 905 | V | 87.3 | Confident | 83.3 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.9 | -171.1 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | E889 F890 | E889-V905 HydrophobicContact CG-CG1 3.93Å; F890-V905 CarbonylContact O-C 3.52Å; F890-V905 VanDerWaalsContact O-CA 3.27Å; F890-V905 WeakPolarHBondContact O-CA 3.22Å |
| 906 | V | 87.8 | Confident | 83.2 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.8 | 173.4 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | I821 T823 L836 F890 | I821-V906 HydrophobicContact CG2-CB 4.46Å; I821-V906 HydrophobicContact CG2-CG1 3.99Å; T823-V906 HydrophobicContact CG2-CG1 4Å; T823-V906 HydrophobicContact CG2-CG2 4.05Å; L836-V906 HydrophobicContact CD2-CG1 3.99Å; F890-V906 HydrophobicContact CB-CG1 3.89Å; F890-V906 HydrophobicContact CD2-CG1 4.49Å; F890-V906 PolarHBondContact N-O 3.2Å; F890-V906 PolarHBondContact O-N 3.25Å |
| 907 | K | 86.4 | Confident | 83 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.2 | 178.2 | -70.9 | -179.4 | 176.2 | -179.7 | 0 | 111.1 | Y888 E889 | Y888-K907 CarbonylContact O-C 3.56Å; Y888-K907 VanDerWaalsContact O-CA 3.29Å; Y888-K907 WeakPolarHBondContact O-CA 3.3Å; E889-K907 HydrophobicContact CB-CG 4.13Å; E889-K907 HydrophobicContact CG-CG 4.1Å; E889-K907 WeakPolarHBondContact OE1-CE 3Å; E889-K907 IonicContact OE1-NZ 3.86Å; E889-K907 PolarHBondContact OE1-NZ 3.09Å |
| 908 | I | 84.2 | Confident | 83.4 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.2 | 177.5 | -104.4 | -177.5 | 0 | 0 | 0 | 111.2 | T823 L834 T887 Y888 F890 | T823-I908 VanDerWaalsContact CB-CD1 3.45Å; T823-I908 HydrophobicContact CG2-CD1 3.82Å; T823-I908 WeakPolarHBondContact OG1-CD1 3.41Å; L834-I908 HydrophobicContact CD1-CD1 3.57Å; L834-I908 HydrophobicContact CD2-CD1 4.02Å; L834-I908 HydrophobicContact CD2-CG2 4.33Å; L834-I908 HydrophobicContact CG-CD1 4.45Å; T887-I908 CarbonylContact C-O 3.59Å; T887-I908 WeakPolarHBondContact CA-O 3.46Å; Y888-I908 PolarHBondContact N-O 3.1Å; Y888-I908 PolarHBondContact O-N 3.13Å; F890-I908 HydrophobicContact CE2-CB 4.44Å |
| 909 | I | 83.2 | Confident | 84 | Confident | 126 Ų | 126 | 47 Ų | 47 | 65% | 0.646 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.5 | 171 | -47.4 | -176.7 | 0 | 0 | 0 | 108.3 | T887 | T887-I909 HydrophobicContact CG2-CG1 4.25Å |
| 910 | T | 82 | Confident | 84.5 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 155.5 | 176.4 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | V832 L882 R883 G885 R886 Y888 T912 | V832-T910 HydrophobicContact CG1-CG2 4.03Å; L882-T910 HydrophobicContact CB-CG2 4.25Å; R883-T910 WeakPolarHBondContact O-CB 3.34Å; R883-T910 PolarHBondContact O-OG1 2.92Å; G885-T910 PolarHBondContact N-O 2.65Å; G885-T910 PolarHBondContact N-OG1 2.84Å; G885-T910 VanDerWaalsContact N-OG1 3.13Å; R886-T910 PolarHBondContact N-OG1 2.84Å; R886-T910 PolarHBondContact O-N 3.01Å; R886-T910 PolarHBondContact O-OG1 2.86Å; Y888-T910 HydrophobicContact CD2-CG2 3.74Å; Y888-T910 HydrophobicContact CE2-CG2 3.84Å; T910-T912 PolarHBondContact O-N 2.8Å |
| 911 | P | 80.1 | Confident | 84.4 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 25% | 0.253 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 135.8 | -174.9 | -22.6 | 33 | 0 | 0 | 0 | 113.6 | L825 V828 N884 G885 | L825-P911 HydrophobicContact CD2-CG 3.92Å; V828-P911 HydrophobicContact CG1-CB 4.01Å; V828-P911 HydrophobicContact CG1-CG 3.72Å; N884-P911 CarbonylContact C-O 3.21Å; N884-P911 WeakPolarHBondContact CA-O 3.35Å; N884-P911 WeakPolarHBondContact CB-O 3.32Å; N884-P911 PolarHBondContact ND2-O 2.91Å; G885-P911 PolarHBondContact N-O 3.5Å |
| 912 | T | 80.3 | Confident | 84.5 | Confident | 49 Ų | 49 | 51 Ų | 51 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.5 | 174.3 | -61 | 0 | 0 | 0 | 0 | 112.6 | T910 N946 T993 K995 | T910-T912 PolarHBondContact O-N 2.8Å; T912-N946 WeakPolarHBondContact CA-O 3.5Å; T912-T993 HydrophobicContact CG2-CG2 4.41Å; T912-K995 HydrophobicContact CG2-CG 4.21Å; T912-K995 VanDerWaalsContact O-CE 3.29Å; T912-K995 WeakPolarHBondContact O-CE 3.39Å; T912-K995 WeakPolarHBondContact O-CG 3.47Å |
| 913 | A | 81.6 | Confident | 84.5 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | trans | -127.2 | -174.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N884 N946 T993 | N884-A913 HydrophobicContact CB-CB 4.13Å; A913-N946 HydrophobicContact CB-CB 3.98Å; A913-N946 PolarHBondContact N-O 2.78Å; A913-T993 WeakPolarHBondContact O-CB 3.46Å; A913-T993 VanDerWaalsContact O-CG2 3.3Å; A913-T993 WeakPolarHBondContact O-CG2 3.41Å; A913-T993 PolarHBondContact O-OG1 2.69Å | ||
| 914 | V | 84.3 | Confident | 84.4 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 38% | 0.382 | 28% | 0.282 | S | S | . | . | trans | -76.9 | 152.5 | 178 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | T916 N946 K995 | V914-T916 PolarHBondContact O-N 3.3Å; V914-N946 WeakPolarHBondContact O-CB 3.31Å; V914-N946 PolarHBondContact O-ND2 2.84Å; V914-K995 VanDerWaalsContact CG1-C 3.49Å; V914-K995 HydrophobicContact CG1-CB 3.76Å; V914-K995 WeakPolarHBondContact CG1-O 3.47Å | ||
| 915 | P | 84.4 | Confident | 84 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | trans | -65.4 | 130.7 | 174.5 | -12 | 25.7 | 0 | 0 | 0 | 111.4 | E944 I949 T993 G996 G998 | P915-E944 CarbonylContact C-O 3.49Å; P915-E944 VanDerWaalsContact CA-O 3.27Å; P915-E944 WeakPolarHBondContact CA-O 3.36Å; P915-I949 HydrophobicContact CB-CD1 4.4Å; P915-I949 HydrophobicContact CG-CD1 3.84Å; P915-T993 HydrophobicContact CG-CG2 3.98Å; P915-G996 VanDerWaalsContact CD-O 3.26Å; P915-G996 WeakPolarHBondContact CD-O 3.32Å; P915-G998 WeakPolarHBondContact O-CA 3.29Å | ||
| 916 | T | 85.7 | Confident | 83.4 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 59% | 0.589 | 29% | 0.293 | S | S | * | . | trans | -92.1 | -17.2 | 176.7 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | V914 E944 N946 | V914-T916 PolarHBondContact O-N 3.3Å; T916-E944 PolarHBondContact N-O 2.91Å; T916-E944 PolarHBondContact OG1-O 3.18Å; T916-N946 WeakPolarHBondContact CG2-ND2 3.23Å; T916-N946 PolarHBondContact OG1-ND2 3.19Å | ||
| 917 | G | 81.1 | Confident | 82.6 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -116.1 | 156.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P940 | G917-P940 WeakPolarHBondContact O-CB 3.38Å; G917-P940 WeakPolarHBondContact O-CG 3.4Å |
| 918 | P | 89.9 | Confident | 81.6 | Confident | 45 Ų | 45 | 58 Ų | 58 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | trans | -84.2 | 163.2 | 179.1 | 34.9 | -35.2 | 0 | 0 | 0 | 112 | P940 P999 W1000 | P918-P940 WeakPolarHBondContact O-CA 3.22Å; P918-P999 HydrophobicContact CB-CG 4.23Å; P918-W1000 WeakPolarHBondContact CB-O 3.32Å | ||
| 919 | P | 88.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | trans | -57.3 | 144.4 | 161.8 | -17 | 30.2 | 0 | 0 | 0 | 110.7 | W937 E938 Y952 V989 A991 S1001 | P919-W937 HydrophobicContact CB-CG 4.42Å; P919-E938 CarbonylContact C-O 3.59Å; P919-E938 WeakPolarHBondContact CA-O 3.47Å; P919-E938 WeakPolarHBondContact CB-O 3.02Å; P919-Y952 HydrophobicContact CG-CD1 4.23Å; P919-V989 HydrophobicContact CB-CG1 3.91Å; P919-V989 WeakPolarHBondContact CD-O 3.14Å; P919-V989 HydrophobicContact CG-CG1 4.11Å; P919-V989 HydrophobicContact CG-CG2 4.26Å; P919-A991 HydrophobicContact CG-CB 4.12Å; P919-S1001 VanDerWaalsContact O-CB 3.28Å; P919-S1001 WeakPolarHBondContact O-CB 3.49Å | ||
| 920 | F | 87.7 | Confident | 80.4 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -178.1 | -176.3 | 67.8 | -93.5 | 0 | 0 | 0 | 112.1 | V922 E938 P939 | F920-V922 VanDerWaalsContact C-N 3.3Å; F920-V922 PolarHBondContact O-N 3.41Å; F920-E938 HydrophobicContact CD1-CB 3.95Å; F920-E938 HydrophobicContact CD2-CB 3.69Å; F920-E938 HydrophobicContact CD2-CG 4.09Å; F920-E938 HydrophobicContact CE1-CB 3.83Å; F920-E938 HydrophobicContact CE2-CB 3.53Å; F920-E938 HydrophobicContact CE2-CG 3.67Å; F920-E938 HydrophobicContact CG-CB 3.87Å; F920-E938 HydrophobicContact CZ-CB 3.61Å; F920-E938 HydrophobicContact CZ-CG 4.03Å; F920-E938 PolarHBondContact N-O 2.83Å; F920-E938 WeakPolarHBondContact O-CB 3.29Å; F920-E938 PolarHBondContact O-N 2.98Å; F920-P939 WeakPolarHBondContact CD1-O 3.38Å; F920-P939 WeakPolarHBondContact CE1-O 3.49Å |
| 921 | D | 81.6 | Confident | 80.1 | Confident | 72 Ų | 72 | 64 Ų | 64 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.5 | 53.6 | 178.5 | -165 | -1.1 | 0 | 0 | 0 | 112.9 | R923 E938 | D921-R923 VanDerWaalsContact CG-NE 3.31Å; D921-R923 PolarHBondContact O-N 3.3Å; D921-R923 VanDerWaalsContact OD1-CG 3.29Å; D921-R923 WeakPolarHBondContact OD1-CG 3.31Å; D921-R923 IonicContact OD1-CZ 2.69Å; D921-R923 IonicContact OD1-NE 2.87Å; D921-R923 PolarHBondContact OD1-NE 3.43Å; D921-R923 IonicContact OD1-NH2 3.17Å; D921-R923 IonicContact OD2-CZ 2.76Å; D921-R923 IonicContact OD2-NE 3.38Å; D921-R923 PolarHBondContact OD2-NE 3.12Å; D921-R923 IonicContact OD2-NH2 3.62Å; D921-R923 PolarHBondContact OD2-NH2 3.05Å; D921-E938 HydrophobicContact CB-CB 4.41Å; D921-E938 HydrophobicContact CB-CG 3.93Å |
| 922 | V | 84.9 | Confident | 80.2 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 101.5 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | F920 T936 W937 F987 V989 V1004 | F920-V922 VanDerWaalsContact C-N 3.3Å; F920-V922 PolarHBondContact O-N 3.41Å; V922-T936 CarbonylContact C-O 3.4Å; V922-T936 WeakPolarHBondContact CA-O 3.18Å; V922-W937 HydrophobicContact CB-CB 4.45Å; V922-W937 HydrophobicContact CG2-CB 3.91Å; V922-F987 HydrophobicContact CG1-CD1 3.56Å; V922-F987 HydrophobicContact CG1-CE1 3.62Å; V922-V989 HydrophobicContact CG2-CG1 3.98Å; V922-V1004 HydrophobicContact CB-CG2 3.65Å; V922-V1004 HydrophobicContact CG1-CB 4.35Å; V922-V1004 HydrophobicContact CG1-CG2 3.64Å; V922-V1004 WeakPolarHBondContact O-CG2 3.48Å |
| 923 | R | 82.1 | Confident | 80.5 | Confident | 130 Ų | 130 | 63.8 Ų | 63.8 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 162.4 | -177.8 | -59.7 | 175.6 | -170.4 | 176.1 | 5.9 | 110.8 | D921 F935 T936 | D921-R923 VanDerWaalsContact CG-NE 3.31Å; D921-R923 PolarHBondContact O-N 3.3Å; D921-R923 VanDerWaalsContact OD1-CG 3.29Å; D921-R923 WeakPolarHBondContact OD1-CG 3.31Å; D921-R923 IonicContact OD1-CZ 2.69Å; D921-R923 IonicContact OD1-NE 2.87Å; D921-R923 PolarHBondContact OD1-NE 3.43Å; D921-R923 IonicContact OD1-NH2 3.17Å; D921-R923 IonicContact OD2-CZ 2.76Å; D921-R923 IonicContact OD2-NE 3.38Å; D921-R923 PolarHBondContact OD2-NE 3.12Å; D921-R923 IonicContact OD2-NH2 3.62Å; D921-R923 PolarHBondContact OD2-NH2 3.05Å; R923-F935 WeakPolarHBondContact O-CA 3.46Å; R923-T936 PolarHBondContact N-O 2.89Å; R923-T936 PolarHBondContact O-N 2.97Å |
| 924 | Y | 85.8 | Confident | 80.6 | Confident | 101 Ų | 101 | 66 Ų | 66 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149 | 170.8 | 67.9 | -90 | 0 | 0 | 0 | 112.3 | Q934 V1004 V1006 | Y924-Q934 CarbonylContact C-O 3.56Å; Y924-Q934 WeakPolarHBondContact CA-O 3.4Å; Y924-V1004 HydrophobicContact CD1-CG1 3.87Å; Y924-V1004 HydrophobicContact CE1-CG1 4.16Å; Y924-V1006 HydrophobicContact CD1-CG1 4.45Å; Y924-V1006 HydrophobicContact CD1-CG2 3.57Å; Y924-V1006 HydrophobicContact CD2-CB 4.47Å; Y924-V1006 HydrophobicContact CD2-CG1 3.56Å; Y924-V1006 HydrophobicContact CD2-CG2 4.09Å; Y924-V1006 HydrophobicContact CE1-CB 4.48Å; Y924-V1006 HydrophobicContact CE1-CG1 4.34Å; Y924-V1006 HydrophobicContact CE1-CG2 3.82Å; Y924-V1006 HydrophobicContact CE2-CB 4.41Å; Y924-V1006 HydrophobicContact CE2-CG1 3.44Å; Y924-V1006 VanDerWaalsContact CE2-CG1 3.44Å; Y924-V1006 HydrophobicContact CE2-CG2 4.33Å; Y924-V1006 HydrophobicContact CG-CG1 4.08Å; Y924-V1006 HydrophobicContact CG-CG2 3.69Å |
| 925 | E | 75.2 | Confident | 81 | Confident | 131 Ų | 131 | 63 Ų | 63 | 61% | 0.612 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.2 | 168.9 | -67 | -176.2 | 151.9 | 0 | 0 | 109.3 | Q934 | E925-Q934 PolarHBondContact N-O 3.46Å; E925-Q934 PolarHBondContact O-N 3.11Å |
| 926 | F | 74.9 | Confident | 81.1 | Confident | 46 Ų | 46 | 65 Ų | 65 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 110.2 | 179.8 | -178.5 | -125.1 | 0 | 0 | 0 | 111.4 | T928 R932 L933 I978 L981 A1008 | F926-T928 HydrophobicContact CD1-CG2 3.79Å; F926-T928 HydrophobicContact CE1-CG2 3.7Å; F926-T928 PolarHBondContact O-N 2.81Å; F926-R932 WeakPolarHBondContact CD2-O 3.24Å; F926-L933 HydrophobicContact CD2-CD1 3.53Å; F926-L933 HydrophobicContact CD2-CG 4.48Å; F926-L933 HydrophobicContact CE2-CD1 3.97Å; F926-L933 HydrophobicContact CG-CD1 4.48Å; F926-I978 HydrophobicContact CD2-CD1 4.49Å; F926-I978 HydrophobicContact CE2-CD1 3.66Å; F926-I978 HydrophobicContact CE2-CG1 3.97Å; F926-I978 HydrophobicContact CZ-CD1 4.12Å; F926-L981 HydrophobicContact CE1-CD2 3.64Å; F926-L981 HydrophobicContact CZ-CD2 3.56Å; F926-A1008 HydrophobicContact CD1-CB 4.02Å; F926-A1008 HydrophobicContact CD2-CB 4.42Å; F926-A1008 HydrophobicContact CE1-CB 3.83Å; F926-A1008 HydrophobicContact CE2-CB 4.25Å; F926-A1008 HydrophobicContact CG-CB 4.32Å; F926-A1008 HydrophobicContact CZ-CB 3.95Å |
| 927 | D | 71.8 | Confident | 81.5 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 35% | 0.353 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 109.9 | 171 | -172.7 | -21.1 | 0 | 0 | 0 | 109.8 | A929 D930 K931 R932 | D927-A929 VanDerWaalsContact C-N 3.32Å; D927-A929 PolarHBondContact O-N 3.22Å; D927-A929 WeakPolarHBondContact OD1-CA 3.07Å; D927-A929 WeakPolarHBondContact OD1-CB 3.33Å; D927-A929 PolarHBondContact OD1-N 3.24Å; D927-D930 HydrophobicContact CB-CB 4.44Å; D927-D930 PolarHBondContact OD1-N 3.37Å; D927-K931 WeakPolarHBondContact O-CA 3.05Å; D927-K931 PolarHBondContact O-N 2.89Å; D927-K931 VanDerWaalsContact O-N 3.11Å; D927-R932 HydrophobicContact CB-CB 4.19Å; D927-R932 PolarHBondContact N-O 2.64Å; D927-R932 PolarHBondContact O-N 2.88Å |
| 928 | T | 64.3 | Low | 81.7 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.7 | 179.7 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | F926 | F926-T928 HydrophobicContact CD1-CG2 3.79Å; F926-T928 HydrophobicContact CE1-CG2 3.7Å; F926-T928 PolarHBondContact O-N 2.81Å |
| 929 | A | 70 | Confident | 81.4 | Confident | 84 Ų | 84 | 60.1 Ų | 60.1 | 69% | 0.694 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -52.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D927 K931 | D927-A929 VanDerWaalsContact C-N 3.32Å; D927-A929 PolarHBondContact O-N 3.22Å; D927-A929 WeakPolarHBondContact OD1-CA 3.07Å; D927-A929 WeakPolarHBondContact OD1-CB 3.33Å; D927-A929 PolarHBondContact OD1-N 3.24Å; A929-K931 VanDerWaalsContact C-N 3.32Å; A929-K931 PolarHBondContact O-N 2.86Å |
| 930 | D | 73.3 | Confident | 81.3 | Confident | 84 Ų | 84 | 60 Ų | 60 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6 | -176.6 | -90.8 | 19.8 | 0 | 0 | 0 | 114 | D927 R932 L977 | D927-D930 HydrophobicContact CB-CB 4.44Å; D927-D930 PolarHBondContact OD1-N 3.37Å; D930-R932 HydrophobicContact CB-CB 3.96Å; D930-R932 PolarHBondContact O-N 2.82Å; D930-R932 IonicContact OD2-CZ 2.75Å; D930-R932 IonicContact OD2-NH1 2.67Å; D930-R932 PolarHBondContact OD2-NH1 2.67Å; D930-R932 IonicContact OD2-NH2 3.45Å; D930-L977 VanDerWaalsContact O-CD2 3.31Å; D930-L977 WeakPolarHBondContact O-CD2 3.46Å |
| 931 | K | 74.9 | Confident | 80.9 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 38.1 | -166.6 | -56.4 | 177.9 | -178.3 | 174.1 | 0 | 111.9 | D927 A929 I978 | D927-K931 WeakPolarHBondContact O-CA 3.05Å; D927-K931 PolarHBondContact O-N 2.89Å; D927-K931 VanDerWaalsContact O-N 3.11Å; A929-K931 VanDerWaalsContact C-N 3.32Å; A929-K931 PolarHBondContact O-N 2.86Å; K931-I978 HydrophobicContact CB-CG1 4.49Å; K931-I978 VanDerWaalsContact O-CG1 3.28Å; K931-I978 WeakPolarHBondContact O-CG1 3.46Å; K931-I978 PolarHBondContact O-N 2.93Å |
| 932 | R | 81.7 | Confident | 80.6 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.8 | -174.2 | 172.9 | -174.2 | -84.3 | 124.8 | 2.7 | 110.3 | F926 D927 D930 F976 L977 | F926-R932 WeakPolarHBondContact CD2-O 3.24Å; D927-R932 HydrophobicContact CB-CB 4.19Å; D927-R932 PolarHBondContact N-O 2.64Å; D927-R932 PolarHBondContact O-N 2.88Å; D930-R932 HydrophobicContact CB-CB 3.96Å; D930-R932 PolarHBondContact O-N 2.82Å; D930-R932 IonicContact OD2-CZ 2.75Å; D930-R932 IonicContact OD2-NH1 2.67Å; D930-R932 PolarHBondContact OD2-NH1 2.67Å; D930-R932 IonicContact OD2-NH2 3.45Å; R932-F976 WeakPolarHBondContact CA-O 3.44Å; R932-L977 HydrophobicContact CB-CD2 4.4Å |
| 933 | L | 86.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.5 | 158.5 | -101 | 74.1 | 0 | 0 | 0 | 108.3 | F926 F935 F956 S975 F976 I978 V1006 | F926-L933 HydrophobicContact CD2-CD1 3.53Å; F926-L933 HydrophobicContact CD2-CG 4.48Å; F926-L933 HydrophobicContact CE2-CD1 3.97Å; F926-L933 HydrophobicContact CG-CD1 4.48Å; L933-F935 HydrophobicContact CB-CE2 4.05Å; L933-F935 HydrophobicContact CD2-CE2 3.8Å; L933-F935 HydrophobicContact CD2-CZ 3.61Å; L933-F956 HydrophobicContact CD2-CE2 4.36Å; L933-S975 CarbonylContact O-C 3.54Å; L933-S975 WeakPolarHBondContact O-CA 3.44Å; L933-S975 VanDerWaalsContact O-CB 3.28Å; L933-S975 WeakPolarHBondContact O-CB 3.43Å; L933-F976 PolarHBondContact N-O 2.89Å; L933-F976 PolarHBondContact O-N 2.81Å; L933-I978 HydrophobicContact CD1-CB 4.49Å; L933-I978 HydrophobicContact CD1-CD1 3.73Å; L933-I978 HydrophobicContact CD1-CG1 3.97Å; L933-I978 HydrophobicContact CD1-CG2 3.75Å; L933-V1006 HydrophobicContact CD2-CB 3.87Å; L933-V1006 HydrophobicContact CD2-CG1 3.59Å; L933-V1006 HydrophobicContact CD2-CG2 4.08Å; L933-V1006 HydrophobicContact CG-CG1 4.29Å |
| 934 | Q | 85.1 | Confident | 80.1 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.9 | 168.8 | 179.2 | 165.2 | -69.4 | 0 | 0 | 108.9 | Y924 E925 | Y924-Q934 CarbonylContact C-O 3.56Å; Y924-Q934 WeakPolarHBondContact CA-O 3.4Å; E925-Q934 PolarHBondContact N-O 3.46Å; E925-Q934 PolarHBondContact O-N 3.11Å |
| 935 | F | 91.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.2 | 174.5 | -66.6 | -88.3 | 0 | 0 | 0 | 110.5 | R923 L933 W937 F956 S973 V974 F976 F987 V1006 | R923-F935 WeakPolarHBondContact O-CA 3.46Å; L933-F935 HydrophobicContact CB-CE2 4.05Å; L933-F935 HydrophobicContact CD2-CE2 3.8Å; L933-F935 HydrophobicContact CD2-CZ 3.61Å; F935-W937 HydrophobicContact CB-CZ3 4.3Å; F935-F956 AromaticContact CE2-CD2 3.76Å; F935-F956 HydrophobicContact CE2-CD2 3.76Å; F935-F956 AromaticContact CE2-CE2 3.69Å; F935-F956 HydrophobicContact CE2-CE2 3.69Å; F935-F956 HydrophobicContact CZ-CD2 4.16Å; F935-F956 HydrophobicContact CZ-CE2 4.03Å; F935-S973 CarbonylContact O-C 3.39Å; F935-S973 WeakPolarHBondContact O-CA 2.94Å; F935-S973 WeakPolarHBondContact O-CB 3.49Å; F935-V974 HydrophobicContact CB-CG1 4.46Å; F935-V974 PolarHBondContact N-O 2.98Å; F935-V974 PolarHBondContact O-N 3.2Å; F935-F976 AromaticContact CD2-CD2 3.82Å; F935-F976 HydrophobicContact CD2-CD2 3.82Å; F935-F976 AromaticContact CD2-CE2 3.92Å; F935-F976 HydrophobicContact CD2-CE2 3.92Å; F935-F976 AromaticContact CE2-CD2 3.86Å; F935-F976 HydrophobicContact CE2-CD2 3.86Å; F935-F976 HydrophobicContact CE2-CE2 4.17Å; F935-F987 HydrophobicContact CB-CD1 4.1Å; F935-F987 HydrophobicContact CB-CE1 3.78Å; F935-F987 HydrophobicContact CB-CE2 4.21Å; F935-F987 HydrophobicContact CB-CG 4.47Å; F935-F987 HydrophobicContact CB-CZ 3.83Å; F935-F987 HydrophobicContact CD1-CB 3.88Å; F935-F987 AromaticContact CD1-CD1 3.42Å; F935-F987 HydrophobicContact CD1-CD1 3.42Å; F935-F987 VanDerWaalsContact CD1-CD1 3.42Å; F935-F987 HydrophobicContact CD1-CD2 4.26Å; F935-F987 AromaticContact CD1-CE1 3.99Å; F935-F987 HydrophobicContact CD1-CE1 3.99Å; F935-F987 AromaticContact CD1-CG 3.58Å; F935-F987 HydrophobicContact CD1-CG 3.58Å; F935-F987 HydrophobicContact CD2-CB 4.45Å; F935-F987 HydrophobicContact CD2-CD1 4.41Å; F935-F987 AromaticContact CD2-CD2 3.82Å; F935-F987 HydrophobicContact CD2-CD2 3.82Å; F935-F987 HydrophobicContact CD2-CE2 4.14Å; F935-F987 AromaticContact CD2-CG 3.97Å; F935-F987 HydrophobicContact CD2-CG 3.97Å; F935-F987 HydrophobicContact CE1-CB 3.36Å; F935-F987 AromaticContact CE1-CD1 3.85Å; F935-F987 HydrophobicContact CE1-CD1 3.85Å; F935-F987 HydrophobicContact CE1-CD2 4.41Å; F935-F987 AromaticContact CE1-CG 3.62Å; F935-F987 HydrophobicContact CE1-CG 3.62Å; F935-F987 HydrophobicContact CE2-CB 4Å; F935-F987 AromaticContact CE2-CD2 3.99Å; F935-F987 HydrophobicContact CE2-CD2 3.99Å; F935-F987 HydrophobicContact CE2-CG 4.01Å; F935-F987 HydrophobicContact CG-CB 4.39Å; F935-F987 AromaticContact CG-CD1 3.73Å; F935-F987 HydrophobicContact CG-CD1 3.73Å; F935-F987 AromaticContact CG-CD2 3.95Å; F935-F987 HydrophobicContact CG-CD2 3.95Å; F935-F987 AromaticContact CG-CE1 3.93Å; F935-F987 HydrophobicContact CG-CE1 3.93Å; F935-F987 HydrophobicContact CG-CE2 4.13Å; F935-F987 AromaticContact CG-CG 3.75Å; F935-F987 HydrophobicContact CG-CG 3.75Å; F935-F987 HydrophobicContact CG-CZ 4.12Å; F935-F987 HydrophobicContact CZ-CB 3.41Å; F935-F987 VanDerWaalsContact CZ-CB 3.41Å; F935-F987 HydrophobicContact CZ-CD1 4.49Å; F935-F987 HydrophobicContact CZ-CD2 4.27Å; F935-F987 AromaticContact CZ-CG 3.83Å; F935-F987 HydrophobicContact CZ-CG 3.83Å; F935-V1006 HydrophobicContact CE1-CG2 3.68Å; F935-V1006 HydrophobicContact CZ-CG2 3.83Å |
| 936 | T | 87.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 28% | 0.282 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 151.5 | 175 | 35.3 | 0 | 0 | 0 | 0 | 109 | V922 R923 N972 | V922-T936 CarbonylContact C-O 3.4Å; V922-T936 WeakPolarHBondContact CA-O 3.18Å; R923-T936 PolarHBondContact N-O 2.89Å; R923-T936 PolarHBondContact O-N 2.97Å; T936-N972 WeakPolarHBondContact CA-O 3.38Å |
| 937 | W | 93.4 | Very high | 80.5 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 167.7 | 179.6 | 57.4 | 87.9 | 0 | 0 | 0 | 112.7 | P919 V922 F935 Y952 T954 V969 R971 N972 S973 V974 F987 V989 | P919-W937 HydrophobicContact CB-CG 4.42Å; V922-W937 HydrophobicContact CB-CB 4.45Å; V922-W937 HydrophobicContact CG2-CB 3.91Å; F935-W937 HydrophobicContact CB-CZ3 4.3Å; W937-Y952 HydrophobicContact CZ2-CD2 4.39Å; W937-Y952 HydrophobicContact CZ2-CG 4.14Å; W937-Y952 AromaticContact NE1-CD1 3.26Å; W937-Y952 VanDerWaalsContact NE1-CD1 3.26Å; W937-Y952 AromaticContact NE1-CD2 3.89Å; W937-Y952 AromaticContact NE1-CE1 3.56Å; W937-Y952 AromaticContact NE1-CG 3.46Å; W937-T954 HydrophobicContact CH2-CG2 3.5Å; W937-T954 VanDerWaalsContact CH2-CG2 3.5Å; W937-T954 HydrophobicContact CZ2-CG2 3.92Å; W937-T954 HydrophobicContact CZ3-CG2 4.08Å; W937-V969 HydrophobicContact CH2-CG2 3.98Å; W937-V969 HydrophobicContact CZ2-CG2 3.98Å; W937-R971 WeakPolarHBondContact CZ2-O 3.26Å; W937-N972 VanDerWaalsContact CE2-C 3.44Å; W937-N972 VanDerWaalsContact CE2-CA 3.48Å; W937-N972 VanDerWaalsContact CZ2-C 3.47Å; W937-N972 PolarHBondContact N-O 2.96Å; W937-N972 WeakPolarHBondContact O-CB 3.17Å; W937-N972 PolarHBondContact O-ND2 2.91Å; W937-S973 VanDerWaalsContact CH2-CA 3.49Å; W937-S973 VanDerWaalsContact CH2-N 3.35Å; W937-S973 VanDerWaalsContact CZ3-CA 3.49Å; W937-V974 HydrophobicContact CH2-CB 4.1Å; W937-V974 HydrophobicContact CH2-CG1 4.04Å; W937-V974 HydrophobicContact CZ3-CB 4.34Å; W937-V974 HydrophobicContact CZ3-CG1 3.93Å; W937-F987 HydrophobicContact CE3-CE1 4.01Å; W937-F987 AromaticContact CE3-CZ 3.94Å; W937-F987 HydrophobicContact CE3-CZ 3.94Å; W937-F987 HydrophobicContact CH2-CZ 4.37Å; W937-F987 HydrophobicContact CZ3-CE1 4.16Å; W937-F987 AromaticContact CZ3-CZ 3.62Å; W937-F987 HydrophobicContact CZ3-CZ 3.62Å; W937-V989 HydrophobicContact CB-CG1 4.23Å; W937-V989 HydrophobicContact CD2-CB 4.43Å; W937-V989 HydrophobicContact CD2-CG1 3.96Å; W937-V989 HydrophobicContact CD2-CG2 4.06Å; W937-V989 HydrophobicContact CE3-CG1 4.39Å; W937-V989 HydrophobicContact CG-CG1 3.87Å; W937-V989 HydrophobicContact CG-CG2 4.48Å; W937-V989 HydrophobicContact CH2-CG2 4.49Å; W937-V989 HydrophobicContact CZ2-CG2 3.87Å |
| 938 | E | 85.6 | Confident | 81.1 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.8 | 172.6 | -73.2 | -58.2 | 119.2 | 0 | 0 | 112.1 | P919 F920 D921 Y1026 | P919-E938 CarbonylContact C-O 3.59Å; P919-E938 WeakPolarHBondContact CA-O 3.47Å; P919-E938 WeakPolarHBondContact CB-O 3.02Å; F920-E938 HydrophobicContact CD1-CB 3.95Å; F920-E938 HydrophobicContact CD2-CB 3.69Å; F920-E938 HydrophobicContact CD2-CG 4.09Å; F920-E938 HydrophobicContact CE1-CB 3.83Å; F920-E938 HydrophobicContact CE2-CB 3.53Å; F920-E938 HydrophobicContact CE2-CG 3.67Å; F920-E938 HydrophobicContact CG-CB 3.87Å; F920-E938 HydrophobicContact CZ-CB 3.61Å; F920-E938 HydrophobicContact CZ-CG 4.03Å; F920-E938 PolarHBondContact N-O 2.83Å; F920-E938 WeakPolarHBondContact O-CB 3.29Å; F920-E938 PolarHBondContact O-N 2.98Å; D921-E938 HydrophobicContact CB-CB 4.41Å; D921-E938 HydrophobicContact CB-CG 3.93Å; E938-Y1026 HydrophobicContact CG-CE2 4.35Å; E938-Y1026 WeakPolarHBondContact OE1-CE1 3.44Å; E938-Y1026 WeakPolarHBondContact OE1-CE2 3.46Å; E938-Y1026 PolarHBondContact OE1-OH 3.41Å; E938-Y1026 VanDerWaalsContact OE2-CE2 3.23Å; E938-Y1026 WeakPolarHBondContact OE2-CE2 3.34Å; E938-Y1026 PolarHBondContact OE2-OH 3.49Å |
| 939 | P | 84.5 | Confident | 82.1 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 13% | 0.13 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 157.1 | 167.6 | -3.7 | 17.3 | 0 | 0 | 0 | 110.2 | F920 Y952 | F920-P939 WeakPolarHBondContact CD1-O 3.38Å; F920-P939 WeakPolarHBondContact CE1-O 3.49Å; P939-Y952 HydrophobicContact CB-CE1 4.4Å; P939-Y952 VanDerWaalsContact CB-OH 3.27Å; P939-Y952 WeakPolarHBondContact CB-OH 3.41Å; P939-Y952 WeakPolarHBondContact CG-OH 3.38Å |
| 940 | P | 85.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -47.7 | 158.3 | 176.9 | -25.2 | 31 | 0 | 0 | 0 | 114 | G917 P918 E944 R945 A991 | G917-P940 WeakPolarHBondContact O-CB 3.38Å; G917-P940 WeakPolarHBondContact O-CG 3.4Å; P918-P940 WeakPolarHBondContact O-CA 3.22Å; P940-E944 HydrophobicContact CB-CB 4.44Å; P940-R945 HydrophobicContact CB-CG 4.18Å; P940-R945 WeakPolarHBondContact O-CG 2.96Å; P940-R945 PolarHBondContact O-NE 2.68Å; P940-R945 PolarHBondContact O-NH2 3.45Å; P940-R945 VanDerWaalsContact O-NH2 3.13Å; P940-A991 HydrophobicContact CG-CB 3.79Å |
| 941 | N | 78.8 | Confident | 83.7 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -58 | 148 | 179.3 | -62.9 | -78.6 | 0 | 0 | 0 | 110.5 | E943 E944 R945 | N941-E943 PolarHBondContact O-N 2.84Å; N941-E944 HydrophobicContact CB-CG 4.14Å; N941-E944 VanDerWaalsContact CB-OE2 3.24Å; N941-E944 WeakPolarHBondContact CB-OE2 3.34Å; N941-E944 PolarHBondContact N-OE2 2.92Å; N941-E944 PolarHBondContact ND2-OE2 3.35Å; N941-E944 WeakPolarHBondContact O-CA 3.42Å; N941-E944 WeakPolarHBondContact O-CB 3.21Å; N941-E944 PolarHBondContact O-N 3.22Å; N941-R945 PolarHBondContact O-N 2.59Å |
| 942 | L | 76 | Confident | 84.6 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.2 | -174.2 | -166.3 | 72.7 | 0 | 0 | 0 | 112.4 | V861 R886 E944 | V861-L942 HydrophobicContact CG2-CD2 4.21Å; R886-L942 PolarHBondContact NH2-O 3.39Å; L942-E944 PolarHBondContact O-N 3.49Å |
| 943 | E | 73.6 | Confident | 85.2 | Confident | 114 Ų | 114 | 45.6 Ų | 45.6 | 53% | 0.533 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.9 | 175 | -68.3 | -161.9 | -145 | 0 | 0 | 114.7 | R883 R886 N941 | R883-E943 IonicContact CZ-OE2 2.74Å; R883-E943 IonicContact NH1-OE2 2.75Å; R883-E943 PolarHBondContact NH1-OE2 3.43Å; R883-E943 IonicContact NH2-OE2 3.35Å; R883-E943 PolarHBondContact NH2-OE2 2.92Å; R886-E943 VanDerWaalsContact NH2-CA 3.31Å; N941-E943 PolarHBondContact O-N 2.84Å |
| 944 | E | 83 | Confident | 85.5 | Confident | 59 Ų | 59 | 45.6 Ų | 45.6 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -10.6 | -172.7 | -54.4 | 176.4 | 125.1 | 0 | 0 | 113.3 | P915 T916 P940 N941 L942 | P915-E944 CarbonylContact C-O 3.49Å; P915-E944 VanDerWaalsContact CA-O 3.27Å; P915-E944 WeakPolarHBondContact CA-O 3.36Å; T916-E944 PolarHBondContact N-O 2.91Å; T916-E944 PolarHBondContact OG1-O 3.18Å; P940-E944 HydrophobicContact CB-CB 4.44Å; N941-E944 HydrophobicContact CB-CG 4.14Å; N941-E944 VanDerWaalsContact CB-OE2 3.24Å; N941-E944 WeakPolarHBondContact CB-OE2 3.34Å; N941-E944 PolarHBondContact N-OE2 2.92Å; N941-E944 PolarHBondContact ND2-OE2 3.35Å; N941-E944 WeakPolarHBondContact O-CA 3.42Å; N941-E944 WeakPolarHBondContact O-CB 3.21Å; N941-E944 PolarHBondContact O-N 3.22Å; L942-E944 PolarHBondContact O-N 3.49Å |
| 945 | R | 81.8 | Confident | 85.9 | Confident | 67 Ų | 67 | 45.7 Ų | 45.7 | 25% | 0.253 | 23% | 0.226 | S | C | . | . | trans | -69.2 | -34.3 | -179.7 | -64.2 | 178.5 | -169.2 | -179.2 | 0.6 | 113 | P940 N941 G947 I949 T993 | P940-R945 HydrophobicContact CB-CG 4.18Å; P940-R945 WeakPolarHBondContact O-CG 2.96Å; P940-R945 PolarHBondContact O-NE 2.68Å; P940-R945 PolarHBondContact O-NH2 3.45Å; P940-R945 VanDerWaalsContact O-NH2 3.13Å; N941-R945 PolarHBondContact O-N 2.59Å; R945-G947 WeakPolarHBondContact CB-O 3.05Å; R945-G947 PolarHBondContact O-N 3.02Å; R945-I949 HydrophobicContact CB-CD1 4.09Å; R945-I949 HydrophobicContact CB-CG1 4.45Å; R945-I949 HydrophobicContact CG-CD1 4.14Å; R945-I949 HydrophobicContact CG-CG1 4.14Å; R945-T993 WeakPolarHBondContact O-CG2 3.27Å | ||
| 946 | N | 83 | Confident | 85.8 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | trans | 52 | 20.3 | -173.2 | -55.7 | -47.1 | 0 | 0 | 0 | 115.5 | G885 T912 A913 V914 T916 | G885-N946 WeakPolarHBondContact CA-O 3.49Å; T912-N946 WeakPolarHBondContact CA-O 3.5Å; A913-N946 HydrophobicContact CB-CB 3.98Å; A913-N946 PolarHBondContact N-O 2.78Å; V914-N946 WeakPolarHBondContact O-CB 3.31Å; V914-N946 PolarHBondContact O-ND2 2.84Å; T916-N946 WeakPolarHBondContact CG2-ND2 3.23Å; T916-N946 PolarHBondContact OG1-ND2 3.19Å | ||
| 947 | G | 78.8 | Confident | 85.7 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 156.8 | -165.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R945 | R945-G947 WeakPolarHBondContact CB-O 3.05Å; R945-G947 PolarHBondContact O-N 3.02Å |
| 948 | E | 83.6 | Confident | 84.9 | Confident | 158 Ų | 158 | 46.5 Ų | 46.5 | 74% | 0.738 | 23% | 0.231 | S | C | * | . | trans | -77.2 | 135 | 174.6 | -174.4 | 171.1 | -152.8 | 0 | 0 | 111.4 | T993 | E948-T993 WeakPolarHBondContact O-CA 3.38Å; E948-T993 WeakPolarHBondContact O-CB 3.21Å; E948-T993 WeakPolarHBondContact O-CG2 3.46Å | ||
| 949 | I | 85.6 | Confident | 84.4 | Confident | 30 Ų | 30 | 48 Ų | 48 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | trans | -86 | 113.7 | 176.9 | -56.9 | -56.7 | 0 | 0 | 0 | 109 | P915 R945 Y952 A991 S992 T993 | P915-I949 HydrophobicContact CB-CD1 4.4Å; P915-I949 HydrophobicContact CG-CD1 3.84Å; R945-I949 HydrophobicContact CB-CD1 4.09Å; R945-I949 HydrophobicContact CB-CG1 4.45Å; R945-I949 HydrophobicContact CG-CD1 4.14Å; R945-I949 HydrophobicContact CG-CG1 4.14Å; I949-Y952 HydrophobicContact CG2-CE1 3.95Å; I949-Y952 HydrophobicContact CG2-CE2 4.32Å; I949-A991 HydrophobicContact CD1-CB 4.14Å; I949-A991 HydrophobicContact CG2-CB 3.87Å; I949-S992 CarbonylContact C-O 3.59Å; I949-S992 WeakPolarHBondContact CA-O 3.1Å; I949-T993 HydrophobicContact CD1-CG2 4.11Å | ||
| 950 | V | 87.1 | Confident | 83.8 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | trans | -92.1 | -24.8 | -177.2 | -77.6 | 0 | 0 | 0 | 0 | 113.9 | S992 T993 T994 | V950-S992 WeakPolarHBondContact CG2-O 3.37Å; V950-S992 PolarHBondContact N-O 3.48Å; V950-T993 VanDerWaalsContact CG2-C 3.48Å; V950-T994 HydrophobicContact CG1-CG2 3.88Å; V950-T994 HydrophobicContact CG2-CG2 4.39Å | ||
| 951 | Q | 90 | Very high | 82.8 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 162.7 | 177.7 | 62.1 | -173 | 9.7 | 0 | 0 | 113.2 | A991 S992 Y997 | Q951-A991 CarbonylContact O-C 3.52Å; Q951-S992 PolarHBondContact O-N 3.48Å; Q951-Y997 HydrophobicContact CG-CE1 4.37Å; Q951-Y997 PolarHBondContact NE2-OH 2.72Å; Q951-Y997 VanDerWaalsContact NE2-OH 3.1Å |
| 952 | Y | 93.9 | Very high | 82 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 7% | 0.071 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 153.7 | 168.7 | -54.1 | -88 | 0 | 0 | 0 | 110.8 | P919 W937 P939 I949 E968 V969 N972 V989 R990 A991 | P919-Y952 HydrophobicContact CG-CD1 4.23Å; W937-Y952 HydrophobicContact CZ2-CD2 4.39Å; W937-Y952 HydrophobicContact CZ2-CG 4.14Å; W937-Y952 AromaticContact NE1-CD1 3.26Å; W937-Y952 VanDerWaalsContact NE1-CD1 3.26Å; W937-Y952 AromaticContact NE1-CD2 3.89Å; W937-Y952 AromaticContact NE1-CE1 3.56Å; W937-Y952 AromaticContact NE1-CG 3.46Å; P939-Y952 HydrophobicContact CB-CE1 4.4Å; P939-Y952 VanDerWaalsContact CB-OH 3.27Å; P939-Y952 WeakPolarHBondContact CB-OH 3.41Å; P939-Y952 WeakPolarHBondContact CG-OH 3.38Å; I949-Y952 HydrophobicContact CG2-CE1 3.95Å; I949-Y952 HydrophobicContact CG2-CE2 4.32Å; Y952-E968 WeakPolarHBondContact O-CA 3.35Å; Y952-V969 PolarHBondContact N-O 3Å; Y952-V969 PolarHBondContact O-N 3.1Å; Y952-N972 HydrophobicContact CE2-CB 4.28Å; Y952-V989 HydrophobicContact CD1-CG2 4.43Å; Y952-R990 CarbonylContact C-O 3.56Å; Y952-R990 WeakPolarHBondContact CA-O 3.49Å; Y952-R990 WeakPolarHBondContact CB-O 3.43Å; Y952-A991 HydrophobicContact CD1-CB 3.84Å; Y952-A991 HydrophobicContact CE1-CB 3.85Å |
| 953 | Q | 93.8 | Very high | 81.7 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.7 | 168 | -171.5 | -179.7 | 83.6 | 0 | 0 | 108.8 | E968 V989 R990 Y997 W1000 | Q953-E968 HydrophobicContact CB-CG 4.22Å; Q953-E968 HydrophobicContact CG-CG 3.91Å; Q953-E968 PolarHBondContact NE2-OE1 3.24Å; Q953-V989 CarbonylContact O-C 3.57Å; Q953-V989 WeakPolarHBondContact O-CA 3.38Å; Q953-R990 HydrophobicContact CB-CG 4.03Å; Q953-R990 PolarHBondContact N-O 2.8Å; Q953-R990 PolarHBondContact O-N 2.86Å; Q953-R990 VanDerWaalsContact OE1-NE 3.07Å; Q953-Y997 HydrophobicContact CB-CD1 4.43Å; Q953-Y997 HydrophobicContact CB-CE1 3.64Å; Q953-W1000 HydrophobicContact CG-CH2 4.15Å; Q953-W1000 WeakPolarHBondContact O-CZ3 3.47Å |
| 954 | T | 93.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 154.1 | -177.8 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | W937 L966 R967 V969 V974 F987 S988 V989 | W937-T954 HydrophobicContact CH2-CG2 3.5Å; W937-T954 VanDerWaalsContact CH2-CG2 3.5Å; W937-T954 HydrophobicContact CZ2-CG2 3.92Å; W937-T954 HydrophobicContact CZ3-CG2 4.08Å; T954-L966 CarbonylContact O-C 2.83Å; T954-L966 VanDerWaalsContact O-CA 3.28Å; T954-L966 WeakPolarHBondContact O-CA 3.28Å; T954-R967 PolarHBondContact N-O 3.26Å; T954-R967 PolarHBondContact O-N 3.45Å; T954-R967 VanDerWaalsContact OG1-CB 3.32Å; T954-R967 WeakPolarHBondContact OG1-CB 3.48Å; T954-R967 PolarHBondContact OG1-O 2.92Å; T954-V969 HydrophobicContact CG2-CG2 3.75Å; T954-V974 HydrophobicContact CG2-CG1 4.05Å; T954-F987 HydrophobicContact CG2-CE2 3.93Å; T954-F987 HydrophobicContact CG2-CZ 3.68Å; T954-S988 CarbonylContact C-O 3.33Å; T954-V989 HydrophobicContact CG2-CB 4.07Å; T954-V989 HydrophobicContact CG2-CG2 3.69Å |
| 955 | R | 92.2 | Very high | 81.8 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.8 | 172.3 | 166.9 | -167.8 | -84.4 | 142.8 | -10.1 | 107.5 | V957 D964 I965 L966 F987 S988 W1000 | R955-V957 HydrophobicContact CG-CG2 4.24Å; R955-D964 WeakPolarHBondContact CD-OD2 3.47Å; R955-D964 IonicContact CZ-OD2 3.57Å; R955-D964 IonicContact NE-OD2 3.72Å; R955-D964 PolarHBondContact NE-OD2 2.92Å; R955-D964 IonicContact NH2-OD2 2.69Å; R955-I965 WeakPolarHBondContact CA-O 3.28Å; R955-L966 HydrophobicContact CB-CD2 3.86Å; R955-L966 HydrophobicContact CG-CD2 4.43Å; R955-F987 WeakPolarHBondContact O-CA 3.4Å; R955-S988 PolarHBondContact N-O 2.82Å; R955-S988 PolarHBondContact O-N 2.84Å; R955-W1000 HydrophobicContact CB-CE3 4.44Å; R955-W1000 HydrophobicContact CB-CH2 3.94Å; R955-W1000 HydrophobicContact CB-CZ3 3.71Å |
| 956 | F | 89.7 | Confident | 82.1 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.022 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.8 | 174.6 | 177.1 | -98.5 | 0 | 0 | 0 | 110.3 | L933 F935 I965 F976 I978 Y985 N986 F987 | L933-F956 HydrophobicContact CD2-CE2 4.36Å; F935-F956 AromaticContact CE2-CD2 3.76Å; F935-F956 HydrophobicContact CE2-CD2 3.76Å; F935-F956 AromaticContact CE2-CE2 3.69Å; F935-F956 HydrophobicContact CE2-CE2 3.69Å; F935-F956 HydrophobicContact CZ-CD2 4.16Å; F935-F956 HydrophobicContact CZ-CE2 4.03Å; F956-I965 HydrophobicContact CB-CB 4.35Å; F956-I965 HydrophobicContact CD1-CD1 4.21Å; F956-I965 PolarHBondContact N-O 3.36Å; F956-I965 WeakPolarHBondContact O-CB 3.24Å; F956-I965 PolarHBondContact O-N 3.31Å; F956-F976 HydrophobicContact CB-CD1 4.16Å; F956-F976 HydrophobicContact CB-CD2 4.21Å; F956-F976 HydrophobicContact CB-CE1 3.64Å; F956-F976 HydrophobicContact CB-CE2 3.68Å; F956-F976 HydrophobicContact CB-CG 4.43Å; F956-F976 HydrophobicContact CB-CZ 3.39Å; F956-F976 HydrophobicContact CD1-CB 4.38Å; F956-F976 AromaticContact CD1-CD1 3.85Å; F956-F976 HydrophobicContact CD1-CD1 3.85Å; F956-F976 HydrophobicContact CD1-CD2 4.33Å; F956-F976 HydrophobicContact CD1-CE1 4.19Å; F956-F976 AromaticContact CD1-CG 3.94Å; F956-F976 HydrophobicContact CD1-CG 3.94Å; F956-F976 AromaticContact CD2-CD2 3.66Å; F956-F976 HydrophobicContact CD2-CD2 3.66Å; F956-F976 AromaticContact CD2-CE2 3.82Å; F956-F976 HydrophobicContact CD2-CE2 3.82Å; F956-F976 HydrophobicContact CD2-CG 4.08Å; F956-F976 HydrophobicContact CD2-CZ 4.38Å; F956-F976 HydrophobicContact CE1-CB 4.04Å; F956-F976 HydrophobicContact CE1-CD1 4.34Å; F956-F976 HydrophobicContact CE1-CG 4.1Å; F956-F976 HydrophobicContact CE2-CB 4.35Å; F956-F976 HydrophobicContact CE2-CD2 4Å; F956-F976 HydrophobicContact CE2-CG 4.25Å; F956-F976 AromaticContact CG-CD1 3.97Å; F956-F976 HydrophobicContact CG-CD1 3.97Å; F956-F976 AromaticContact CG-CD2 3.82Å; F956-F976 HydrophobicContact CG-CD2 3.82Å; F956-F976 AromaticContact CG-CE1 3.98Å; F956-F976 HydrophobicContact CG-CE1 3.98Å; F956-F976 AromaticContact CG-CE2 3.81Å; F956-F976 HydrophobicContact CG-CE2 3.81Å; F956-F976 AromaticContact CG-CG 3.9Å; F956-F976 HydrophobicContact CG-CG 3.9Å; F956-F976 AromaticContact CG-CZ 3.92Å; F956-F976 HydrophobicContact CG-CZ 3.92Å; F956-F976 HydrophobicContact CZ-CB 4.01Å; F956-F976 HydrophobicContact CZ-CD2 4.45Å; F956-F976 HydrophobicContact CZ-CG 4.24Å; F956-I978 HydrophobicContact CZ-CG2 4.24Å; F956-Y985 AromaticContact CE1-CD1 4Å; F956-Y985 HydrophobicContact CE1-CD1 4Å; F956-Y985 HydrophobicContact CE2-CD1 4.14Å; F956-Y985 HydrophobicContact CE2-CG 4.42Å; F956-Y985 AromaticContact CZ-CD1 3.38Å; F956-Y985 HydrophobicContact CZ-CD1 3.38Å; F956-Y985 HydrophobicContact CZ-CE1 4.13Å; F956-Y985 HydrophobicContact CZ-CG 4.06Å; F956-N986 WeakPolarHBondContact CA-O 3.34Å; F956-F987 HydrophobicContact CB-CD2 4.18Å; F956-F987 HydrophobicContact CD2-CB 4.32Å; F956-F987 HydrophobicContact CD2-CD2 4.23Å |
| 957 | V | 86 | Confident | 82.3 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.4 | -175.7 | -160 | 0 | 0 | 0 | 0 | 109.3 | R955 D964 N986 | R955-V957 HydrophobicContact CG-CG2 4.24Å; V957-D964 WeakPolarHBondContact CG2-OD1 3.27Å; V957-N986 HydrophobicContact CB-CB 4.14Å; V957-N986 HydrophobicContact CG2-CB 4.18Å; V957-N986 PolarHBondContact N-O 3.17Å; V957-N986 PolarHBondContact O-N 2.89Å; V957-N986 VanDerWaalsContact O-N 3.17Å |
| 958 | P | 76.7 | Confident | 82.8 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 16% | 0.156 | 36% | 0.359 | C | S | . | . | trans | -75.9 | 163.3 | 177.2 | 32.7 | -34.8 | 0 | 0 | 0 | 112.1 | D960 G961 D963 | P958-D960 PolarHBondContact O-N 2.85Å; P958-G961 PolarHBondContact O-N 3.39Å; P958-D963 WeakPolarHBondContact CD-O 3.48Å | ||
| 959 | P | 75.1 | Confident | 83 | Confident | 51 Ų | 51 | 64 Ų | 64 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -19.9 | -167.2 | -13 | 29.4 | 0 | 0 | 0 | 113.3 | G961 T984 Y985 | P959-G961 VanDerWaalsContact C-N 3.32Å; P959-T984 WeakPolarHBondContact CB-O 3.41Å; P959-T984 WeakPolarHBondContact CG-O 3.14Å; P959-Y985 HydrophobicContact CG-CD1 3.84Å; P959-Y985 HydrophobicContact CG-CD2 4.2Å; P959-Y985 HydrophobicContact CG-CE1 3.48Å; P959-Y985 VanDerWaalsContact CG-CE1 3.48Å; P959-Y985 HydrophobicContact CG-CE2 3.84Å; P959-Y985 HydrophobicContact CG-CG 4.17Å; P959-Y985 VanDerWaalsContact CG-CZ 3.44Å |
| 960 | D | 71.8 | Confident | 83 | Confident | 90 Ų | 90 | 70.5 Ų | 70.5 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -3.5 | 173.6 | 43.6 | -44 | 0 | 0 | 0 | 113.3 | P958 K962 | P958-D960 PolarHBondContact O-N 2.85Å; D960-K962 PolarHBondContact O-N 3.1Å; D960-K962 VanDerWaalsContact O-N 3.09Å |
| 961 | G | 64.3 | Low | 82.8 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 60% | 0.598 | 38% | 0.378 | S | S | * | . | trans | 64.2 | 16.2 | 163 | 0 | 0 | 0 | 0 | 0 | 116.3 | P958 P959 | P958-G961 PolarHBondContact O-N 3.39Å; P959-G961 VanDerWaalsContact C-N 3.32Å | ||
| 962 | K | 62.1 | Low | 82.5 | Confident | 170 Ų | 170 | 76.8 Ų | 76.8 | 74% | 0.739 | 38% | 0.381 | S | S | * | . | trans | -92.8 | -26.9 | -167.4 | -86.7 | 178.8 | 176.2 | -172.8 | 0 | 116.2 | D960 | D960-K962 PolarHBondContact O-N 3.1Å; D960-K962 VanDerWaalsContact O-N 3.09Å | ||
| 963 | D | 69.4 | Low | 82.2 | Confident | 126 Ų | 126 | 77.9 Ų | 77.9 | 67% | 0.674 | 39% | 0.391 | S | S | * | . | trans | -145.7 | 131.5 | 177.2 | -75.7 | -69.9 | 0 | 0 | 0 | 111.1 | P958 I965 | P958-D963 WeakPolarHBondContact CD-O 3.48Å; D963-I965 PolarHBondContact O-N 3.44Å | ||
| 964 | D | 77.6 | Confident | 82 | Confident | 77 Ų | 77 | 77.3 Ų | 77.3 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | trans | -77.8 | 107 | 171.9 | -113.9 | 23.6 | 0 | 0 | 0 | 108.9 | R955 V957 L966 | R955-D964 WeakPolarHBondContact CD-OD2 3.47Å; R955-D964 IonicContact CZ-OD2 3.57Å; R955-D964 IonicContact NE-OD2 3.72Å; R955-D964 PolarHBondContact NE-OD2 2.92Å; R955-D964 IonicContact NH2-OD2 2.69Å; V957-D964 WeakPolarHBondContact CG2-OD1 3.27Å; D964-L966 PolarHBondContact O-N 2.86Å | ||
| 965 | I | 82 | Confident | 81.7 | Confident | 76 Ų | 76 | 79.1 Ų | 79.1 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 94.5 | 178.2 | -54.1 | -174.2 | 0 | 0 | 0 | 109.1 | R955 F956 D963 F976 | R955-I965 WeakPolarHBondContact CA-O 3.28Å; F956-I965 HydrophobicContact CB-CB 4.35Å; F956-I965 HydrophobicContact CD1-CD1 4.21Å; F956-I965 PolarHBondContact N-O 3.36Å; F956-I965 WeakPolarHBondContact O-CB 3.24Å; F956-I965 PolarHBondContact O-N 3.31Å; D963-I965 PolarHBondContact O-N 3.44Å; I965-F976 HydrophobicContact CG2-CE1 3.98Å |
| 966 | L | 88.9 | Confident | 81.4 | Confident | 93 Ų | 93 | 76 Ų | 76 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.2 | 171.4 | -68.1 | 172.5 | 0 | 0 | 0 | 111.1 | T954 R955 D964 W1000 | T954-L966 CarbonylContact O-C 2.83Å; T954-L966 VanDerWaalsContact O-CA 3.28Å; T954-L966 WeakPolarHBondContact O-CA 3.28Å; R955-L966 HydrophobicContact CB-CD2 3.86Å; R955-L966 HydrophobicContact CG-CD2 4.43Å; D964-L966 PolarHBondContact O-N 2.86Å; L966-W1000 HydrophobicContact CD2-CH2 3.76Å; L966-W1000 HydrophobicContact CD2-CZ2 4.24Å |
| 967 | R | 86.4 | Confident | 81 | Confident | 122 Ų | 122 | 81.9 Ų | 81.9 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 123 | -179.8 | -136.7 | -175.9 | -170.4 | 174.7 | 1.1 | 112.1 | T954 S975 | T954-R967 PolarHBondContact N-O 3.26Å; T954-R967 PolarHBondContact O-N 3.45Å; T954-R967 VanDerWaalsContact OG1-CB 3.32Å; T954-R967 WeakPolarHBondContact OG1-CB 3.48Å; T954-R967 PolarHBondContact OG1-O 2.92Å; R967-S975 PolarHBondContact NH1-O 3.27Å |
| 968 | E | 90.4 | Very high | 80.6 | Confident | 110 Ų | 110 | 80.6 Ų | 80.6 | 51% | 0.514 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 138.1 | 171.4 | -63.5 | -173.6 | 155.9 | 0 | 0 | 110.5 | Y952 Q953 Y997 | Y952-E968 WeakPolarHBondContact O-CA 3.35Å; Q953-E968 HydrophobicContact CB-CG 4.22Å; Q953-E968 HydrophobicContact CG-CG 3.91Å; Q953-E968 PolarHBondContact NE2-OE1 3.24Å; E968-Y997 PolarHBondContact OE1-OH 2.7Å |
| 969 | V | 87.4 | Confident | 80.5 | Confident | 29 Ų | 29 | 84.6 Ų | 84.6 | 18% | 0.176 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 130.8 | -175 | -90.3 | 0 | 0 | 0 | 0 | 110.3 | W937 Y952 T954 R971 V974 | W937-V969 HydrophobicContact CH2-CG2 3.98Å; W937-V969 HydrophobicContact CZ2-CG2 3.98Å; Y952-V969 PolarHBondContact N-O 3Å; Y952-V969 PolarHBondContact O-N 3.1Å; T954-V969 HydrophobicContact CG2-CG2 3.75Å; V969-R971 VanDerWaalsContact C-N 3.33Å; V969-V974 HydrophobicContact CG1-CB 4.44Å; V969-V974 HydrophobicContact CG1-CG2 4.23Å |
| 970 | Q | 84.1 | Confident | 80.2 | Confident | 167 Ų | 167 | 87.8 Ų | 87.8 | 78% | 0.78 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -78.5 | -18 | 175 | -69.4 | 177.1 | -19.3 | 0 | 0 | 113 | ||
| 971 | R | 83.5 | Confident | 80.1 | Confident | 192 Ų | 192 | 88.9 Ų | 88.9 | 73% | 0.725 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -95.8 | 155.2 | 177.5 | -62.5 | -176.4 | -177.5 | -176.4 | 0.3 | 110.4 | W937 V969 S973 | W937-R971 WeakPolarHBondContact CZ2-O 3.26Å; V969-R971 VanDerWaalsContact C-N 3.33Å; R971-S973 PolarHBondContact O-N 3.29Å |
| 972 | N | 84.4 | Confident | 80.3 | Confident | 64 Ų | 64 | 88.2 Ų | 88.2 | 34% | 0.342 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -80.3 | 32.6 | 175.1 | 70.6 | -43.5 | 0 | 0 | 0 | 113.3 | T936 W937 Y952 | T936-N972 WeakPolarHBondContact CA-O 3.38Å; W937-N972 VanDerWaalsContact CE2-C 3.44Å; W937-N972 VanDerWaalsContact CE2-CA 3.48Å; W937-N972 VanDerWaalsContact CZ2-C 3.47Å; W937-N972 PolarHBondContact N-O 2.96Å; W937-N972 WeakPolarHBondContact O-CB 3.17Å; W937-N972 PolarHBondContact O-ND2 2.91Å; Y952-N972 HydrophobicContact CE2-CB 4.28Å |
| 973 | S | 86.8 | Confident | 81 | Confident | 42 Ų | 42 | 81.4 Ų | 81.4 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 150.4 | 178.9 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | F935 W937 R971 | F935-S973 CarbonylContact O-C 3.39Å; F935-S973 WeakPolarHBondContact O-CA 2.94Å; F935-S973 WeakPolarHBondContact O-CB 3.49Å; W937-S973 VanDerWaalsContact CH2-CA 3.49Å; W937-S973 VanDerWaalsContact CH2-N 3.35Å; W937-S973 VanDerWaalsContact CZ3-CA 3.49Å; R971-S973 PolarHBondContact O-N 3.29Å |
| 974 | V | 89.9 | Confident | 81.4 | Confident | 12 Ų | 12 | 78 Ų | 78 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 153.2 | 173.6 | 73.7 | 0 | 0 | 0 | 0 | 109.8 | F935 W937 T954 V969 F976 F987 | F935-V974 HydrophobicContact CB-CG1 4.46Å; F935-V974 PolarHBondContact N-O 2.98Å; F935-V974 PolarHBondContact O-N 3.2Å; W937-V974 HydrophobicContact CH2-CB 4.1Å; W937-V974 HydrophobicContact CH2-CG1 4.04Å; W937-V974 HydrophobicContact CZ3-CB 4.34Å; W937-V974 HydrophobicContact CZ3-CG1 3.93Å; T954-V974 HydrophobicContact CG2-CG1 4.05Å; V969-V974 HydrophobicContact CG1-CB 4.44Å; V969-V974 HydrophobicContact CG1-CG2 4.23Å; V974-F976 HydrophobicContact CG1-CD2 4.37Å; V974-F976 HydrophobicContact CG1-CE2 3.46Å; V974-F976 VanDerWaalsContact CG1-CE2 3.46Å; V974-F976 HydrophobicContact CG1-CZ 3.79Å; V974-F976 HydrophobicContact CG2-CE2 4.43Å; V974-F976 HydrophobicContact CG2-CZ 4.23Å; V974-F987 HydrophobicContact CG1-CE2 3.67Å; V974-F987 HydrophobicContact CG1-CZ 3.93Å |
| 975 | S | 86.9 | Confident | 81.7 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148.4 | 174.2 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | L933 R967 | L933-S975 CarbonylContact O-C 3.54Å; L933-S975 WeakPolarHBondContact O-CA 3.44Å; L933-S975 VanDerWaalsContact O-CB 3.28Å; L933-S975 WeakPolarHBondContact O-CB 3.43Å; R967-S975 PolarHBondContact NH1-O 3.27Å |
| 976 | F | 86.7 | Confident | 82 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.6 | -178.9 | -56 | -86.2 | 0 | 0 | 0 | 109.6 | R932 L933 F935 F956 I965 V974 F987 | R932-F976 WeakPolarHBondContact CA-O 3.44Å; L933-F976 PolarHBondContact N-O 2.89Å; L933-F976 PolarHBondContact O-N 2.81Å; F935-F976 AromaticContact CD2-CD2 3.82Å; F935-F976 HydrophobicContact CD2-CD2 3.82Å; F935-F976 AromaticContact CD2-CE2 3.92Å; F935-F976 HydrophobicContact CD2-CE2 3.92Å; F935-F976 AromaticContact CE2-CD2 3.86Å; F935-F976 HydrophobicContact CE2-CD2 3.86Å; F935-F976 HydrophobicContact CE2-CE2 4.17Å; F956-F976 HydrophobicContact CB-CD1 4.16Å; F956-F976 HydrophobicContact CB-CD2 4.21Å; F956-F976 HydrophobicContact CB-CE1 3.64Å; F956-F976 HydrophobicContact CB-CE2 3.68Å; F956-F976 HydrophobicContact CB-CG 4.43Å; F956-F976 HydrophobicContact CB-CZ 3.39Å; F956-F976 HydrophobicContact CD1-CB 4.38Å; F956-F976 AromaticContact CD1-CD1 3.85Å; F956-F976 HydrophobicContact CD1-CD1 3.85Å; F956-F976 HydrophobicContact CD1-CD2 4.33Å; F956-F976 HydrophobicContact CD1-CE1 4.19Å; F956-F976 AromaticContact CD1-CG 3.94Å; F956-F976 HydrophobicContact CD1-CG 3.94Å; F956-F976 AromaticContact CD2-CD2 3.66Å; F956-F976 HydrophobicContact CD2-CD2 3.66Å; F956-F976 AromaticContact CD2-CE2 3.82Å; F956-F976 HydrophobicContact CD2-CE2 3.82Å; F956-F976 HydrophobicContact CD2-CG 4.08Å; F956-F976 HydrophobicContact CD2-CZ 4.38Å; F956-F976 HydrophobicContact CE1-CB 4.04Å; F956-F976 HydrophobicContact CE1-CD1 4.34Å; F956-F976 HydrophobicContact CE1-CG 4.1Å; F956-F976 HydrophobicContact CE2-CB 4.35Å; F956-F976 HydrophobicContact CE2-CD2 4Å; F956-F976 HydrophobicContact CE2-CG 4.25Å; F956-F976 AromaticContact CG-CD1 3.97Å; F956-F976 HydrophobicContact CG-CD1 3.97Å; F956-F976 AromaticContact CG-CD2 3.82Å; F956-F976 HydrophobicContact CG-CD2 3.82Å; F956-F976 AromaticContact CG-CE1 3.98Å; F956-F976 HydrophobicContact CG-CE1 3.98Å; F956-F976 AromaticContact CG-CE2 3.81Å; F956-F976 HydrophobicContact CG-CE2 3.81Å; F956-F976 AromaticContact CG-CG 3.9Å; F956-F976 HydrophobicContact CG-CG 3.9Å; F956-F976 AromaticContact CG-CZ 3.92Å; F956-F976 HydrophobicContact CG-CZ 3.92Å; F956-F976 HydrophobicContact CZ-CB 4.01Å; F956-F976 HydrophobicContact CZ-CD2 4.45Å; F956-F976 HydrophobicContact CZ-CG 4.24Å; I965-F976 HydrophobicContact CG2-CE1 3.98Å; V974-F976 HydrophobicContact CG1-CD2 4.37Å; V974-F976 HydrophobicContact CG1-CE2 3.46Å; V974-F976 VanDerWaalsContact CG1-CE2 3.46Å; V974-F976 HydrophobicContact CG1-CZ 3.79Å; V974-F976 HydrophobicContact CG2-CE2 4.43Å; V974-F976 HydrophobicContact CG2-CZ 4.23Å; F976-F987 AromaticContact CE2-CD2 3.79Å; F976-F987 HydrophobicContact CE2-CD2 3.79Å; F976-F987 AromaticContact CE2-CE2 3.71Å; F976-F987 HydrophobicContact CE2-CE2 3.71Å; F976-F987 HydrophobicContact CZ-CD2 4.37Å; F976-F987 HydrophobicContact CZ-CE2 4.15Å |
| 977 | L | 81.6 | Confident | 82.2 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 67% | 0.665 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136.2 | 170 | -71.3 | 165.8 | 0 | 0 | 0 | 109 | D930 R932 | D930-L977 VanDerWaalsContact O-CD2 3.31Å; D930-L977 WeakPolarHBondContact O-CD2 3.46Å; R932-L977 HydrophobicContact CB-CD2 4.4Å |
| 978 | I | 77.7 | Confident | 82.5 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | trans | -109.8 | 140.6 | 177.6 | 62.8 | 151.7 | 0 | 0 | 0 | 113.6 | F926 K931 L933 F956 Y985 A1008 | F926-I978 HydrophobicContact CD2-CD1 4.49Å; F926-I978 HydrophobicContact CE2-CD1 3.66Å; F926-I978 HydrophobicContact CE2-CG1 3.97Å; F926-I978 HydrophobicContact CZ-CD1 4.12Å; K931-I978 HydrophobicContact CB-CG1 4.49Å; K931-I978 VanDerWaalsContact O-CG1 3.28Å; K931-I978 WeakPolarHBondContact O-CG1 3.46Å; K931-I978 PolarHBondContact O-N 2.93Å; L933-I978 HydrophobicContact CD1-CB 4.49Å; L933-I978 HydrophobicContact CD1-CD1 3.73Å; L933-I978 HydrophobicContact CD1-CG1 3.97Å; L933-I978 HydrophobicContact CD1-CG2 3.75Å; F956-I978 HydrophobicContact CZ-CG2 4.24Å; I978-Y985 HydrophobicContact CB-CE1 4.05Å; I978-Y985 HydrophobicContact CB-CE2 4.15Å; I978-Y985 HydrophobicContact CD1-CE2 4.03Å; I978-Y985 HydrophobicContact CG2-CD1 4.01Å; I978-Y985 HydrophobicContact CG2-CD2 4.38Å; I978-Y985 HydrophobicContact CG2-CE1 3.56Å; I978-Y985 HydrophobicContact CG2-CE2 3.99Å; I978-Y985 HydrophobicContact CG2-CG 4.41Å; I978-A1008 HydrophobicContact CD1-CB 4.13Å | ||
| 979 | N | 72.9 | Confident | 82.7 | Confident | 108 Ų | 108 | 58.7 Ų | 58.7 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -90.8 | -23.2 | -176.6 | 55.2 | -0.2 | 0 | 0 | 0 | 113.7 | Y985 | N979-Y985 PolarHBondContact OD1-OH 2.8Š|
| 980 | K | 70.1 | Confident | 83 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | trans | -133.7 | 110.2 | -177.8 | -70.1 | -179.3 | 177.4 | 172.9 | 0 | 112.9 | S983 Y985 | K980-S983 WeakPolarHBondContact CB-OG 3.42Å; K980-S983 WeakPolarHBondContact CD-OG 3.46Å; K980-S983 PolarHBondContact O-N 3.07Å; K980-Y985 PolarHBondContact N-OH 2.61Å; K980-Y985 VanDerWaalsContact N-OH 3.15Å; K980-Y985 PolarHBondContact O-OH 2.76Å | ||
| 981 | L | 68.9 | Low | 83.4 | Confident | 113 Ų | 113 | 52.2 Ų | 52.2 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 145.7 | 160.8 | -80.8 | 155.6 | 0 | 0 | 0 | 110.4 | F926 S983 A1008 | F926-L981 HydrophobicContact CE1-CD2 3.64Å; F926-L981 HydrophobicContact CZ-CD2 3.56Å; L981-S983 PolarHBondContact O-N 3.26Å; L981-S983 VanDerWaalsContact O-N 3.14Å; L981-A1008 HydrophobicContact CD2-CB 4.17Å |
| 982 | G | 69.5 | Low | 83.7 | Confident | 45 Ų | 45 | 43.3 Ų | 43.3 | 46% | 0.464 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -5.6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 983 | S | 76.7 | Confident | 83.9 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -78.8 | 163.4 | 170.7 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | K980 L981 | K980-S983 WeakPolarHBondContact CB-OG 3.42Å; K980-S983 WeakPolarHBondContact CD-OG 3.46Å; K980-S983 PolarHBondContact O-N 3.07Å; L981-S983 PolarHBondContact O-N 3.26Å; L981-S983 VanDerWaalsContact O-N 3.14Å | ||
| 984 | T | 78 | Confident | 83.8 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.331 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.2 | -179.3 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | P959 V1005 V1006 K1007 | P959-T984 WeakPolarHBondContact CB-O 3.41Å; P959-T984 WeakPolarHBondContact CG-O 3.14Å; T984-V1005 HydrophobicContact CG2-CG1 3.3Å; T984-V1006 VanDerWaalsContact CA-O 3.31Å; T984-V1006 WeakPolarHBondContact CA-O 3.35Å; T984-K1007 HydrophobicContact CG2-CG 4.37Å; T984-K1007 WeakPolarHBondContact OG1-CE 3.46Å |
| 985 | Y | 83.6 | Confident | 83.5 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.5 | -177 | -64.2 | -97.7 | 0 | 0 | 0 | 110 | F956 P959 I978 N979 K980 V1006 | F956-Y985 AromaticContact CE1-CD1 4Å; F956-Y985 HydrophobicContact CE1-CD1 4Å; F956-Y985 HydrophobicContact CE2-CD1 4.14Å; F956-Y985 HydrophobicContact CE2-CG 4.42Å; F956-Y985 AromaticContact CZ-CD1 3.38Å; F956-Y985 HydrophobicContact CZ-CD1 3.38Å; F956-Y985 HydrophobicContact CZ-CE1 4.13Å; F956-Y985 HydrophobicContact CZ-CG 4.06Å; P959-Y985 HydrophobicContact CG-CD1 3.84Å; P959-Y985 HydrophobicContact CG-CD2 4.2Å; P959-Y985 HydrophobicContact CG-CE1 3.48Å; P959-Y985 VanDerWaalsContact CG-CE1 3.48Å; P959-Y985 HydrophobicContact CG-CE2 3.84Å; P959-Y985 HydrophobicContact CG-CG 4.17Å; P959-Y985 VanDerWaalsContact CG-CZ 3.44Å; I978-Y985 HydrophobicContact CB-CE1 4.05Å; I978-Y985 HydrophobicContact CB-CE2 4.15Å; I978-Y985 HydrophobicContact CD1-CE2 4.03Å; I978-Y985 HydrophobicContact CG2-CD1 4.01Å; I978-Y985 HydrophobicContact CG2-CD2 4.38Å; I978-Y985 HydrophobicContact CG2-CE1 3.56Å; I978-Y985 HydrophobicContact CG2-CE2 3.99Å; I978-Y985 HydrophobicContact CG2-CG 4.41Å; N979-Y985 PolarHBondContact OD1-OH 2.8Å; K980-Y985 PolarHBondContact N-OH 2.61Å; K980-Y985 VanDerWaalsContact N-OH 3.15Å; K980-Y985 PolarHBondContact O-OH 2.76Å; Y985-V1006 PolarHBondContact N-O 2.81Å; Y985-V1006 PolarHBondContact O-N 2.91Å |
| 986 | N | 88.2 | Confident | 83.4 | Confident | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.4 | 178.6 | -63.8 | -9.2 | 0 | 0 | 0 | 111.6 | F956 V957 V1004 | F956-N986 WeakPolarHBondContact CA-O 3.34Å; V957-N986 HydrophobicContact CB-CB 4.14Å; V957-N986 HydrophobicContact CG2-CB 4.18Å; V957-N986 PolarHBondContact N-O 3.17Å; V957-N986 PolarHBondContact O-N 2.89Å; V957-N986 VanDerWaalsContact O-N 3.17Å; N986-V1004 CarbonylContact C-O 3.5Å; N986-V1004 WeakPolarHBondContact CA-O 3.34Å |
| 987 | F | 92.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.5 | 179.4 | 176.6 | -93.8 | 0 | 0 | 0 | 112.9 | V922 F935 W937 T954 R955 F956 V974 F976 V989 P1003 V1004 | V922-F987 HydrophobicContact CG1-CD1 3.56Å; V922-F987 HydrophobicContact CG1-CE1 3.62Å; F935-F987 HydrophobicContact CB-CD1 4.1Å; F935-F987 HydrophobicContact CB-CE1 3.78Å; F935-F987 HydrophobicContact CB-CE2 4.21Å; F935-F987 HydrophobicContact CB-CG 4.47Å; F935-F987 HydrophobicContact CB-CZ 3.83Å; F935-F987 HydrophobicContact CD1-CB 3.88Å; F935-F987 AromaticContact CD1-CD1 3.42Å; F935-F987 HydrophobicContact CD1-CD1 3.42Å; F935-F987 VanDerWaalsContact CD1-CD1 3.42Å; F935-F987 HydrophobicContact CD1-CD2 4.26Å; F935-F987 AromaticContact CD1-CE1 3.99Å; F935-F987 HydrophobicContact CD1-CE1 3.99Å; F935-F987 AromaticContact CD1-CG 3.58Å; F935-F987 HydrophobicContact CD1-CG 3.58Å; F935-F987 HydrophobicContact CD2-CB 4.45Å; F935-F987 HydrophobicContact CD2-CD1 4.41Å; F935-F987 AromaticContact CD2-CD2 3.82Å; F935-F987 HydrophobicContact CD2-CD2 3.82Å; F935-F987 HydrophobicContact CD2-CE2 4.14Å; F935-F987 AromaticContact CD2-CG 3.97Å; F935-F987 HydrophobicContact CD2-CG 3.97Å; F935-F987 HydrophobicContact CE1-CB 3.36Å; F935-F987 AromaticContact CE1-CD1 3.85Å; F935-F987 HydrophobicContact CE1-CD1 3.85Å; F935-F987 HydrophobicContact CE1-CD2 4.41Å; F935-F987 AromaticContact CE1-CG 3.62Å; F935-F987 HydrophobicContact CE1-CG 3.62Å; F935-F987 HydrophobicContact CE2-CB 4Å; F935-F987 AromaticContact CE2-CD2 3.99Å; F935-F987 HydrophobicContact CE2-CD2 3.99Å; F935-F987 HydrophobicContact CE2-CG 4.01Å; F935-F987 HydrophobicContact CG-CB 4.39Å; F935-F987 AromaticContact CG-CD1 3.73Å; F935-F987 HydrophobicContact CG-CD1 3.73Å; F935-F987 AromaticContact CG-CD2 3.95Å; F935-F987 HydrophobicContact CG-CD2 3.95Å; F935-F987 AromaticContact CG-CE1 3.93Å; F935-F987 HydrophobicContact CG-CE1 3.93Å; F935-F987 HydrophobicContact CG-CE2 4.13Å; F935-F987 AromaticContact CG-CG 3.75Å; F935-F987 HydrophobicContact CG-CG 3.75Å; F935-F987 HydrophobicContact CG-CZ 4.12Å; F935-F987 HydrophobicContact CZ-CB 3.41Å; F935-F987 VanDerWaalsContact CZ-CB 3.41Å; F935-F987 HydrophobicContact CZ-CD1 4.49Å; F935-F987 HydrophobicContact CZ-CD2 4.27Å; F935-F987 AromaticContact CZ-CG 3.83Å; F935-F987 HydrophobicContact CZ-CG 3.83Å; W937-F987 HydrophobicContact CE3-CE1 4.01Å; W937-F987 AromaticContact CE3-CZ 3.94Å; W937-F987 HydrophobicContact CE3-CZ 3.94Å; W937-F987 HydrophobicContact CH2-CZ 4.37Å; W937-F987 HydrophobicContact CZ3-CE1 4.16Å; W937-F987 AromaticContact CZ3-CZ 3.62Å; W937-F987 HydrophobicContact CZ3-CZ 3.62Å; T954-F987 HydrophobicContact CG2-CE2 3.93Å; T954-F987 HydrophobicContact CG2-CZ 3.68Å; R955-F987 WeakPolarHBondContact O-CA 3.4Å; F956-F987 HydrophobicContact CB-CD2 4.18Å; F956-F987 HydrophobicContact CD2-CB 4.32Å; F956-F987 HydrophobicContact CD2-CD2 4.23Å; V974-F987 HydrophobicContact CG1-CE2 3.67Å; V974-F987 HydrophobicContact CG1-CZ 3.93Å; F976-F987 AromaticContact CE2-CD2 3.79Å; F976-F987 HydrophobicContact CE2-CD2 3.79Å; F976-F987 AromaticContact CE2-CE2 3.71Å; F976-F987 HydrophobicContact CE2-CE2 3.71Å; F976-F987 HydrophobicContact CZ-CD2 4.37Å; F976-F987 HydrophobicContact CZ-CE2 4.15Å; F987-V989 HydrophobicContact CE1-CB 4.23Å; F987-V989 HydrophobicContact CE1-CG1 4.17Å; F987-V989 HydrophobicContact CZ-CB 4.24Å; F987-P1003 CarbonylContact O-C 3.5Å; F987-P1003 WeakPolarHBondContact O-CA 3.28Å; F987-V1004 PolarHBondContact N-O 3.32Å; F987-V1004 PolarHBondContact O-N 3.02Å |
| 988 | S | 92.9 | Very high | 83.8 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.5 | 175 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | T954 R955 S1001 | T954-S988 CarbonylContact C-O 3.33Å; R955-S988 PolarHBondContact N-O 2.82Å; R955-S988 PolarHBondContact O-N 2.84Å; S988-S1001 WeakPolarHBondContact CA-OG 3.45Å |
| 989 | V | 94.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.4 | -174.5 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | P919 V922 W937 Y952 Q953 T954 F987 W1000 S1001 | P919-V989 HydrophobicContact CB-CG1 3.91Å; P919-V989 WeakPolarHBondContact CD-O 3.14Å; P919-V989 HydrophobicContact CG-CG1 4.11Å; P919-V989 HydrophobicContact CG-CG2 4.26Å; V922-V989 HydrophobicContact CG2-CG1 3.98Å; W937-V989 HydrophobicContact CB-CG1 4.23Å; W937-V989 HydrophobicContact CD2-CB 4.43Å; W937-V989 HydrophobicContact CD2-CG1 3.96Å; W937-V989 HydrophobicContact CD2-CG2 4.06Å; W937-V989 HydrophobicContact CE3-CG1 4.39Å; W937-V989 HydrophobicContact CG-CG1 3.87Å; W937-V989 HydrophobicContact CG-CG2 4.48Å; W937-V989 HydrophobicContact CH2-CG2 4.49Å; W937-V989 HydrophobicContact CZ2-CG2 3.87Å; Y952-V989 HydrophobicContact CD1-CG2 4.43Å; Q953-V989 CarbonylContact O-C 3.57Å; Q953-V989 WeakPolarHBondContact O-CA 3.38Å; T954-V989 HydrophobicContact CG2-CB 4.07Å; T954-V989 HydrophobicContact CG2-CG2 3.69Å; F987-V989 HydrophobicContact CE1-CB 4.23Å; F987-V989 HydrophobicContact CE1-CG1 4.17Å; F987-V989 HydrophobicContact CZ-CB 4.24Å; V989-W1000 CarbonylContact O-C 3.57Å; V989-S1001 PolarHBondContact N-OG 2.7Å; V989-S1001 WeakPolarHBondContact O-CB 3.31Å; V989-S1001 PolarHBondContact O-N 3.38Å |
| 990 | R | 94.8 | Very high | 85.4 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 158 | 172.9 | 62 | 175.7 | 177 | 163.3 | -1.8 | 112.4 | Y952 Q953 Y997 G998 P999 W1000 | Y952-R990 CarbonylContact C-O 3.56Å; Y952-R990 WeakPolarHBondContact CA-O 3.49Å; Y952-R990 WeakPolarHBondContact CB-O 3.43Å; Q953-R990 HydrophobicContact CB-CG 4.03Å; Q953-R990 PolarHBondContact N-O 2.8Å; Q953-R990 PolarHBondContact O-N 2.86Å; Q953-R990 VanDerWaalsContact OE1-NE 3.07Å; R990-Y997 HydrophobicContact CG-CD1 4.03Å; R990-G998 WeakPolarHBondContact CD-O 3.41Å; R990-P999 WeakPolarHBondContact CB-O 3.2Å; R990-W1000 HydrophobicContact CB-CD2 4.07Å; R990-W1000 HydrophobicContact CB-CE3 4.1Å; R990-W1000 HydrophobicContact CB-CG 4.34Å; R990-W1000 HydrophobicContact CG-CD2 3.94Å; R990-W1000 HydrophobicContact CG-CE3 3.97Å; R990-W1000 HydrophobicContact CG-CH2 4.11Å; R990-W1000 HydrophobicContact CG-CZ2 4.08Å; R990-W1000 HydrophobicContact CG-CZ3 4.05Å |
| 991 | A | 90.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 162.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P919 P940 I949 Q951 Y952 Y997 G998 | P919-A991 HydrophobicContact CG-CB 4.12Å; P940-A991 HydrophobicContact CG-CB 3.79Å; I949-A991 HydrophobicContact CD1-CB 4.14Å; I949-A991 HydrophobicContact CG2-CB 3.87Å; Q951-A991 CarbonylContact O-C 3.52Å; Y952-A991 HydrophobicContact CD1-CB 3.84Å; Y952-A991 HydrophobicContact CE1-CB 3.85Å; A991-Y997 CarbonylContact O-C 3.3Å; A991-Y997 WeakPolarHBondContact O-CA 3.45Å; A991-G998 PolarHBondContact O-N 2.94Å |
| 992 | S | 91.6 | Very high | 87.1 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.4 | 176.3 | -168.6 | 0 | 0 | 0 | 0 | 112 | I949 V950 Q951 G996 Y997 | I949-S992 CarbonylContact C-O 3.59Å; I949-S992 WeakPolarHBondContact CA-O 3.1Å; V950-S992 WeakPolarHBondContact CG2-O 3.37Å; V950-S992 PolarHBondContact N-O 3.48Å; Q951-S992 PolarHBondContact O-N 3.48Å; S992-G996 WeakPolarHBondContact CA-O 3.43Å; S992-G996 WeakPolarHBondContact OG-CA 3.42Å; S992-G996 PolarHBondContact OG-O 3.19Å; S992-G996 VanDerWaalsContact OG-O 3.1Å; S992-Y997 PolarHBondContact OG-N 2.89Å |
| 993 | T | 87.5 | Confident | 87.7 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -177.9 | 156.5 | 66.6 | 0 | 0 | 0 | 0 | 110.2 | T912 A913 P915 R945 E948 I949 V950 K995 G996 | T912-T993 HydrophobicContact CG2-CG2 4.41Å; A913-T993 WeakPolarHBondContact O-CB 3.46Å; A913-T993 VanDerWaalsContact O-CG2 3.3Å; A913-T993 WeakPolarHBondContact O-CG2 3.41Å; A913-T993 PolarHBondContact O-OG1 2.69Å; P915-T993 HydrophobicContact CG-CG2 3.98Å; R945-T993 WeakPolarHBondContact O-CG2 3.27Å; E948-T993 WeakPolarHBondContact O-CA 3.38Å; E948-T993 WeakPolarHBondContact O-CB 3.21Å; E948-T993 WeakPolarHBondContact O-CG2 3.46Å; I949-T993 HydrophobicContact CD1-CG2 4.11Å; V950-T993 VanDerWaalsContact CG2-C 3.48Å; T993-K995 PolarHBondContact O-N 3.15Å; T993-K995 PolarHBondContact OG1-N 3.38Å; T993-K995 VanDerWaalsContact OG1-N 3.14Å; T993-G996 PolarHBondContact N-O 2.84Å; T993-G996 VanDerWaalsContact N-O 3.15Å; T993-G996 PolarHBondContact O-N 3.04Å; T993-G996 VanDerWaalsContact O-N 3.09Å |
| 994 | T | 84.4 | Confident | 88 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 64% | 0.644 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -2.8 | 168.1 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | V950 | V950-T994 HydrophobicContact CG1-CG2 3.88Å; V950-T994 HydrophobicContact CG2-CG2 4.39Å |
| 995 | K | 84 | Confident | 88.3 | Confident | 142 Ų | 142 | 46.1 Ų | 46.1 | 62% | 0.617 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -10.2 | 173 | -62.4 | -65.3 | -170 | 172.6 | 0 | 114 | T912 V914 T993 | T912-K995 HydrophobicContact CG2-CG 4.21Å; T912-K995 VanDerWaalsContact O-CE 3.29Å; T912-K995 WeakPolarHBondContact O-CE 3.39Å; T912-K995 WeakPolarHBondContact O-CG 3.47Å; V914-K995 VanDerWaalsContact CG1-C 3.49Å; V914-K995 HydrophobicContact CG1-CB 3.76Å; V914-K995 WeakPolarHBondContact CG1-O 3.47Å; T993-K995 PolarHBondContact O-N 3.15Å; T993-K995 PolarHBondContact OG1-N 3.38Å; T993-K995 VanDerWaalsContact OG1-N 3.14Å |
| 996 | G | 85.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 46 Ų | 46 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.8 | -177.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | P915 S992 T993 | P915-G996 VanDerWaalsContact CD-O 3.26Å; P915-G996 WeakPolarHBondContact CD-O 3.32Å; S992-G996 WeakPolarHBondContact CA-O 3.43Å; S992-G996 WeakPolarHBondContact OG-CA 3.42Å; S992-G996 PolarHBondContact OG-O 3.19Å; S992-G996 VanDerWaalsContact OG-O 3.1Å; T993-G996 PolarHBondContact N-O 2.84Å; T993-G996 VanDerWaalsContact N-O 3.15Å; T993-G996 PolarHBondContact O-N 3.04Å; T993-G996 VanDerWaalsContact O-N 3.09Å |
| 997 | Y | 89.9 | Confident | 87.1 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 24% | 0.239 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 138.2 | -173.4 | -76.1 | -70.6 | 0 | 0 | 0 | 113.9 | Q951 Q953 E968 R990 A991 S992 | Q951-Y997 HydrophobicContact CG-CE1 4.37Å; Q951-Y997 PolarHBondContact NE2-OH 2.72Å; Q951-Y997 VanDerWaalsContact NE2-OH 3.1Å; Q953-Y997 HydrophobicContact CB-CD1 4.43Å; Q953-Y997 HydrophobicContact CB-CE1 3.64Å; E968-Y997 PolarHBondContact OE1-OH 2.7Å; R990-Y997 HydrophobicContact CG-CD1 4.03Å; A991-Y997 CarbonylContact O-C 3.3Å; A991-Y997 WeakPolarHBondContact O-CA 3.45Å; S992-Y997 PolarHBondContact OG-N 2.89Å |
| 998 | G | 86.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -167.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P915 R990 A991 | P915-G998 WeakPolarHBondContact O-CA 3.29Å; R990-G998 WeakPolarHBondContact CD-O 3.41Å; A991-G998 PolarHBondContact O-N 2.94Å |
| 999 | P | 90.2 | Very high | 84.1 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 164 | -178.5 | 30.5 | -35.2 | 0 | 0 | 0 | 113.6 | P918 R990 | P918-P999 HydrophobicContact CB-CG 4.23Å; R990-P999 WeakPolarHBondContact CB-O 3.2Å |
| 1000 | W | 93.3 | Very high | 81.6 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 147.1 | 174.9 | -66.8 | 95.7 | 0 | 0 | 0 | 111.8 | P918 Q953 R955 L966 V989 R990 | P918-W1000 WeakPolarHBondContact CB-O 3.32Å; Q953-W1000 HydrophobicContact CG-CH2 4.15Å; Q953-W1000 WeakPolarHBondContact O-CZ3 3.47Å; R955-W1000 HydrophobicContact CB-CE3 4.44Å; R955-W1000 HydrophobicContact CB-CH2 3.94Å; R955-W1000 HydrophobicContact CB-CZ3 3.71Å; L966-W1000 HydrophobicContact CD2-CH2 3.76Å; L966-W1000 HydrophobicContact CD2-CZ2 4.24Å; V989-W1000 CarbonylContact O-C 3.57Å; R990-W1000 HydrophobicContact CB-CD2 4.07Å; R990-W1000 HydrophobicContact CB-CE3 4.1Å; R990-W1000 HydrophobicContact CB-CG 4.34Å; R990-W1000 HydrophobicContact CG-CD2 3.94Å; R990-W1000 HydrophobicContact CG-CE3 3.97Å; R990-W1000 HydrophobicContact CG-CH2 4.11Å; R990-W1000 HydrophobicContact CG-CZ2 4.08Å; R990-W1000 HydrophobicContact CG-CZ3 4.05Å |
| 1001 | S | 90.3 | Very high | 79.3 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 158.4 | 166.2 | 76.4 | 0 | 0 | 0 | 0 | 111.2 | P919 S988 V989 | P919-S1001 VanDerWaalsContact O-CB 3.28Å; P919-S1001 WeakPolarHBondContact O-CB 3.49Å; S988-S1001 WeakPolarHBondContact CA-OG 3.45Å; V989-S1001 PolarHBondContact N-OG 2.7Å; V989-S1001 WeakPolarHBondContact O-CB 3.31Å; V989-S1001 PolarHBondContact O-N 3.38Å |
| 1002 | E | 84.2 | Confident | 76.8 | Confident | 166 Ų | 166 | 79.7 Ų | 79.7 | 78% | 0.776 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 143.8 | 163 | -70.3 | -58.5 | 141.7 | 0 | 0 | 110.9 | V1004 | E1002-V1004 PolarHBondContact O-N 2.83Š|
| 1003 | P | 83.3 | Confident | 74.2 | Confident | 71 Ų | 71 | 84 Ų | 84 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -79 | 117.3 | -177.8 | 30.2 | -32.9 | 0 | 0 | 0 | 111.8 | F987 | F987-P1003 CarbonylContact O-C 3.5Å; F987-P1003 WeakPolarHBondContact O-CA 3.28Å |
| 1004 | V | 82.6 | Confident | 71.5 | Confident | 33 Ų | 33 | 93.7 Ų | 93.7 | 20% | 0.2 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.9 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | V922 Y924 N986 F987 E1002 V1006 | V922-V1004 HydrophobicContact CB-CG2 3.65Å; V922-V1004 HydrophobicContact CG1-CB 4.35Å; V922-V1004 HydrophobicContact CG1-CG2 3.64Å; V922-V1004 WeakPolarHBondContact O-CG2 3.48Å; Y924-V1004 HydrophobicContact CD1-CG1 3.87Å; Y924-V1004 HydrophobicContact CE1-CG1 4.16Å; N986-V1004 CarbonylContact C-O 3.5Å; N986-V1004 WeakPolarHBondContact CA-O 3.34Å; F987-V1004 PolarHBondContact N-O 3.32Å; F987-V1004 PolarHBondContact O-N 3.02Å; E1002-V1004 PolarHBondContact O-N 2.83Å; V1004-V1006 HydrophobicContact CG1-CG2 4.11Å |
| 1005 | V | 83.5 | Confident | 69 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115 | -177.2 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | T984 | T984-V1005 HydrophobicContact CG2-CG1 3.3Å |
| 1006 | V | 75 | Confident | 66.7 | Low | 1 Ų | 1 | 98 Ų | 98 | 1% | 0.006 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.2 | -172.9 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | Y924 L933 F935 T984 Y985 V1004 | Y924-V1006 HydrophobicContact CD1-CG1 4.45Å; Y924-V1006 HydrophobicContact CD1-CG2 3.57Å; Y924-V1006 HydrophobicContact CD2-CB 4.47Å; Y924-V1006 HydrophobicContact CD2-CG1 3.56Å; Y924-V1006 HydrophobicContact CD2-CG2 4.09Å; Y924-V1006 HydrophobicContact CE1-CB 4.48Å; Y924-V1006 HydrophobicContact CE1-CG1 4.34Å; Y924-V1006 HydrophobicContact CE1-CG2 3.82Å; Y924-V1006 HydrophobicContact CE2-CB 4.41Å; Y924-V1006 HydrophobicContact CE2-CG1 3.44Å; Y924-V1006 VanDerWaalsContact CE2-CG1 3.44Å; Y924-V1006 HydrophobicContact CE2-CG2 4.33Å; Y924-V1006 HydrophobicContact CG-CG1 4.08Å; Y924-V1006 HydrophobicContact CG-CG2 3.69Å; L933-V1006 HydrophobicContact CD2-CB 3.87Å; L933-V1006 HydrophobicContact CD2-CG1 3.59Å; L933-V1006 HydrophobicContact CD2-CG2 4.08Å; L933-V1006 HydrophobicContact CG-CG1 4.29Å; F935-V1006 HydrophobicContact CE1-CG2 3.68Å; F935-V1006 HydrophobicContact CZ-CG2 3.83Å; T984-V1006 VanDerWaalsContact CA-O 3.31Å; T984-V1006 WeakPolarHBondContact CA-O 3.35Å; Y985-V1006 PolarHBondContact N-O 2.81Å; Y985-V1006 PolarHBondContact O-N 2.91Å; V1004-V1006 HydrophobicContact CG1-CG2 4.11Å |
| 1007 | K | 72 | Confident | 64 | Low | 122 Ų | 122 | 106.9 Ų | 106.9 | 53% | 0.53 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.3 | 169.2 | -67.8 | -177.4 | 179.5 | -180 | 0 | 110.5 | T984 | T984-K1007 HydrophobicContact CG2-CG 4.37Å; T984-K1007 WeakPolarHBondContact OG1-CE 3.46Å |
| 1008 | A | 61.8 | Low | 61 | Low | 6 Ų | 6 | 110 Ų | 110 | 5% | 0.05 | 55% | 0.551 | C | S | . | * | trans | -86.4 | 111.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F926 I978 L981 | F926-A1008 HydrophobicContact CD1-CB 4.02Å; F926-A1008 HydrophobicContact CD2-CB 4.42Å; F926-A1008 HydrophobicContact CE1-CB 3.83Å; F926-A1008 HydrophobicContact CE2-CB 4.25Å; F926-A1008 HydrophobicContact CG-CB 4.32Å; F926-A1008 HydrophobicContact CZ-CB 3.95Å; I978-A1008 HydrophobicContact CD1-CB 4.13Å; L981-A1008 HydrophobicContact CD2-CB 4.17Å | ||
| 1009 | H | 60.4 | Low | 58.3 | Low | 146 Ų | 146 | 113.5 Ų | 113.5 | 68% | 0.676 | 59% | 0.587 | S | S | * | * | trans | -139.7 | 172 | 177 | -65.3 | -76.2 | 0 | 0 | 0 | 111.5 | ||||
| 1010 | W | 42.8 | Very low | 55.4 | Low | 190 Ų | 190 | 117.1 Ų | 117.1 | 72% | 0.72 | 61% | 0.608 | S | S | * | * | trans | -130.7 | 126.5 | -166.7 | -171 | 64.7 | 0 | 0 | 0 | 113.5 | ||||
| 1011 | N | 44.8 | Very low | 52.2 | Low | 162 Ų | 162 | 121.9 Ų | 121.9 | 87% | 0.866 | 63% | 0.633 | S | S | * | * | trans | -162.3 | 162.3 | 167.6 | -144.8 | -35.8 | 0 | 0 | 0 | 112.4 | ||||
| 1012 | R | 39.8 | Very low | 49.2 | Very low | 212 Ų | 212 | 129 Ų | 129 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | trans | -137 | 5.5 | -148.4 | -143.6 | -177.2 | 178.4 | -177.4 | 0.3 | 121.3 | ||||
| 1013 | A | 36.3 | Very low | 46.7 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | trans | -155.5 | 116.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1014 | K | 31.7 | Very low | 44.2 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 89% | 0.891 | 69% | 0.691 | S | S | * | * | trans | -164.6 | -9.3 | 160.4 | -128.6 | 179.1 | 179.3 | -179.1 | 0 | 122.1 | A1016 | K1014-A1016 PolarHBondContact O-N 3.44Š| ||
| 1015 | Y | 32.1 | Very low | 41.6 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 97% | 0.969 | 72% | 0.72 | S | S | * | * | trans | -80.7 | 91.6 | -171.1 | -81 | -76.5 | 0 | 0 | 0 | 114.9 | ||||
| 1016 | A | 34.6 | Very low | 38.9 | Very low | 90 Ų | 90 | 141.8 Ų | 141.8 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | -153.1 | 130.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1014 | K1014-A1016 PolarHBondContact O-N 3.44Š| ||
| 1017 | K | 29.3 | Very low | 36.7 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 53.7 | 78.7 | 162.4 | -63.2 | -174.8 | 176.4 | -178.2 | 0 | 119.7 | ||
| 1018 | S | 26.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -177.1 | 140.2 | 138.4 | 55.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1019 | G | 30.8 | Very low | 33 | Very low | 82 Ų | 82 | 154.8 Ų | 154.8 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -172 | 29.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1020 | T | 28.4 | Very low | 31.6 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 145.7 | 164.8 | 40.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1021 | H | 26.5 | Very low | 31.3 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 72.3 | 122.8 | 177.9 | -74.1 | -96.1 | 0 | 0 | 0 | 119.3 | ||
| 1022 | L | 26.5 | Very low | 30.5 | Very low | 157 Ų | 157 | 154.4 Ų | 154.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 73.8 | 157.3 | 150.8 | -60.9 | 163.3 | 0 | 0 | 0 | 118.1 | ||||
| 1023 | L | 32.9 | Very low | 30.2 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | 62.6 | 93.5 | -175.6 | -61.2 | 158.4 | 0 | 0 | 0 | 112.8 | ||||
| 1024 | K | 30.8 | Very low | 29.7 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | cis | 67.9 | 110.3 | 28.5 | -157.2 | -175.3 | -178.4 | -176.2 | 0 | 112 | ||||
| 1025 | L | 27.2 | Very low | 29.5 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | 85.1 | 145.4 | -168.8 | -57.9 | 164.6 | 0 | 0 | 0 | 114.9 | ||||
| 1026 | Y | 27.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 135 Ų | 135 | 44% | 0.439 | 73% | 0.733 | S | S | . | * | trans | 79.8 | 99.7 | 172.9 | -85.5 | -86 | 0 | 0 | 0 | 121.7 | E938 | E938-Y1026 HydrophobicContact CG-CE2 4.35Å; E938-Y1026 WeakPolarHBondContact OE1-CE1 3.44Å; E938-Y1026 WeakPolarHBondContact OE1-CE2 3.46Å; E938-Y1026 PolarHBondContact OE1-OH 3.41Å; E938-Y1026 VanDerWaalsContact OE2-CE2 3.23Å; E938-Y1026 WeakPolarHBondContact OE2-CE2 3.34Å; E938-Y1026 PolarHBondContact OE2-OH 3.49Å | ||
| 1027 | F | 28.8 | Very low | 29.4 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | 69.2 | 97.8 | 147.6 | -78.3 | -146.8 | 0 | 0 | 0 | 116 | ||||
| 1028 | D | 29.2 | Very low | 29.6 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | 76.4 | 138.5 | 54.4 | -59.2 | -64.2 | 0 | 0 | 0 | 113.8 | |||||
| 1029 | A | 26.6 | Very low | 29.8 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 85.6 | 132.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1030 | W | 30.4 | Very low | 29.7 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 78.4 | 80.6 | 156.5 | -81.4 | 54.1 | 0 | 0 | 0 | 121 | L1032 | W1030-L1032 PolarHBondContact O-N 2.84Š|
| 1031 | L | 37.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 65% | 0.654 | 71% | 0.709 | S | S | * | * | 72.5 | 35.5 | 125.6 | -74.7 | 151.2 | 0 | 0 | 0 | 117.8 | |||||
| 1032 | L | 28.6 | Very low | 30.5 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | -53.6 | 128.5 | 128.8 | -80.4 | 107 | 0 | 0 | 0 | 110.1 | W1030 | W1030-L1032 PolarHBondContact O-N 2.84Š| |||
| 1033 | I | 32 | Very low | 30.9 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 49% | 0.492 | 71% | 0.708 | S | S | . | * | 85.7 | 129.4 | 64.6 | -77.7 | 174.2 | 0 | 0 | 0 | 111.7 | |||||
| 1034 | E | 26.8 | Very low | 30.8 | Very low | 59 Ų | 59 | 130.2 Ų | 130.2 | 28% | 0.276 | 70% | 0.702 | S | S | . | * | trans | -60.8 | 156.9 | 162.2 | -50.8 | 127.4 | 153.9 | 0 | 0 | 106.9 | R45 P46 | R45-E1034 VanDerWaalsContact C-OE1 3.25Å; R45-E1034 HydrophobicContact CB-CG 3.6Å; R45-E1034 WeakPolarHBondContact CB-OE1 3.18Å; R45-E1034 VanDerWaalsContact CD-N 3.29Å; R45-E1034 WeakPolarHBondContact CD-OE2 3.02Å; R45-E1034 VanDerWaalsContact CG-CD 3.49Å; R45-E1034 HydrophobicContact CG-CG 4.09Å; R45-E1034 WeakPolarHBondContact CG-OE2 2.9Å; R45-E1034 IonicContact CZ-OE2 3.03Å; R45-E1034 IonicContact NE-OE2 3.17Å; R45-E1034 PolarHBondContact NE-OE2 3.33Å; R45-E1034 PolarHBondContact NH1-O 3.22Å; R45-E1034 IonicContact NH1-OE2 3.61Å; R45-E1034 PolarHBondContact NH1-OE2 2.93Å; P46-E1034 VanDerWaalsContact CD-OE1 3.26Å; P46-E1034 WeakPolarHBondContact CD-OE1 3.49Å | ||
| 1035 | C | 27.7 | Very low | 31.1 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | -155.6 | 156.5 | 110.7 | -116.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 1036 | S | 30.3 | Very low | 31.3 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | trans | -31.9 | 155.7 | 140.1 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1037 | P | 34 | Very low | 31.5 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 66% | 0.662 | 70% | 0.698 | S | S | * | * | cis | -148.1 | -152.2 | 46.8 | 34.3 | -8.7 | 0 | 0 | 0 | 114.8 | ||||
| 1038 | F | 33.1 | Very low | 31.7 | Very low | 174 Ų | 174 | 119.9 Ų | 119.9 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | trans | 79.2 | 72.6 | 177.3 | -57.2 | -67.1 | 0 | 0 | 0 | 116.9 | I1040 | F1038-I1040 HydrophobicContact CD1-CD1 4.33Å; F1038-I1040 HydrophobicContact CD1-CG1 4.25Å | ||
| 1039 | A | 30.5 | Very low | 32.3 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | -76.6 | 152.8 | 121.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1040 | I | 29.9 | Very low | 32.7 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | trans | -136.2 | 136.6 | 164.6 | -78.7 | -177.1 | 0 | 0 | 0 | 106.7 | F1038 | F1038-I1040 HydrophobicContact CD1-CD1 4.33Å; F1038-I1040 HydrophobicContact CD1-CG1 4.25Å | ||
| 1041 | M | 35.4 | Very low | 32.8 | Very low | 168 Ų | 168 | 114.3 Ų | 114.3 | 83% | 0.828 | 66% | 0.662 | S | S | * | * | trans | 32.6 | 101.1 | 165.2 | -64.8 | -178.6 | -76.3 | 0 | 0 | 116.5 | ||||
| 1042 | A | 34.6 | Very low | 32.4 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 72% | 0.719 | 66% | 0.66 | S | S | * | * | cis | 65 | 111.2 | 16.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1043 | I | 35.9 | Very low | 32.8 | Very low | 171 Ų | 171 | 109.8 Ų | 109.8 | 88% | 0.877 | 65% | 0.65 | S | S | * | * | trans | -142.8 | 138.7 | 159.5 | -62 | -176.9 | 0 | 0 | 0 | 106.6 | ||||
| 1044 | C | 30 | Very low | 32.8 | Very low | 107 Ų | 107 | 115.4 Ų | 115.4 | 72% | 0.723 | 67% | 0.672 | S | S | * | * | cis | -164 | 91.3 | -43.2 | -113.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1045 | L | 36.7 | Very low | 33.2 | Very low | 168 Ų | 168 | 116 Ų | 116 | 88% | 0.88 | 69% | 0.686 | S | S | * | * | trans | -128.6 | 115.3 | 168.8 | -71.9 | 173 | 0 | 0 | 0 | 107.1 | ||||
| 1046 | S | 32.5 | Very low | 33.3 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | cis | 59.6 | 85 | 47.9 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1047 | N | 31.6 | Very low | 33.1 | Very low | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 68% | 0.675 | S | S | * | * | 81.7 | 99.3 | 85.5 | -80.1 | 27.3 | 0 | 0 | 0 | 109.3 | S1520 E1521 | N1047-S1520 WeakPolarHBondContact O-CB 3.35Å; N1047-S1520 PolarHBondContact O-OG 3.18Å; N1047-E1521 VanDerWaalsContact CA-OE1 3.3Å; N1047-E1521 WeakPolarHBondContact CA-OE1 3.25Å; N1047-E1521 HydrophobicContact CB-CG 3.87Å; N1047-E1521 WeakPolarHBondContact CB-OE1 3.47Å; N1047-E1521 VanDerWaalsContact CG-OE1 3.23Å; N1047-E1521 PolarHBondContact ND2-OE1 3.25Å | |||
| 1048 | C | 33.2 | Very low | 33 | Very low | 52 Ų | 52 | 111 Ų | 111 | 35% | 0.351 | 65% | 0.653 | S | S | . | * | -174.7 | -170.2 | 62.7 | -169.2 | 0 | 0 | 0 | 0 | 113 | E1521 T1522 | C1048-E1521 WeakPolarHBondContact CA-OE1 3.23Å; C1048-E1521 HydrophobicContact CB-CB 4.1Å; C1048-E1521 HydrophobicContact CB-CG 3.68Å; C1048-E1521 WeakPolarHBondContact CB-OE1 3.35Å; C1048-E1521 WeakPolarHBondContact SG-CA 3.42Å; C1048-E1521 PolarHBondContact SG-OE1 3Å; C1048-T1522 VanDerWaalsContact SG-CG2 3.52Å; C1048-T1522 PolarHBondContact SG-N 2.95Å | |||
| 1049 | V | 40.5 | Very low | 32.8 | Very low | 108 Ų | 108 | 102.8 Ų | 102.8 | 66% | 0.655 | 62% | 0.617 | S | S | * | * | trans | 80.4 | 70.2 | 160.9 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1050 | H | 36.6 | Very low | 33 | Very low | 131 Ų | 131 | 100.1 Ų | 100.1 | 61% | 0.606 | 59% | 0.59 | S | S | * | * | 57.9 | 129.7 | 85.4 | -86.2 | 77 | 0 | 0 | 0 | 114.5 | |||||
| 1051 | S | 31.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 102 Ų | 102 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | trans | 63.3 | 110.7 | 144.6 | -165.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1052 | C | 29.1 | Very low | 33.2 | Very low | 91 Ų | 91 | 96.1 Ų | 96.1 | 62% | 0.615 | 56% | 0.564 | S | S | * | * | cis | -152.4 | 149.8 | -17.1 | -140.6 | 0 | 0 | 0 | 0 | 110 | K1054 | C1052-K1054 PolarHBondContact O-N 2.89Š| ||
| 1053 | C | 35.9 | Very low | 33.3 | Very low | 80 Ų | 80 | 97.5 Ų | 97.5 | 54% | 0.541 | 56% | 0.559 | S | S | . | * | 23.9 | 106.1 | 111.9 | -6.9 | 0 | 0 | 0 | 0 | 113.4 | A1055 | C1053-A1055 VanDerWaalsContact C-CB 3.49Å; C1053-A1055 CarbonylContact C-O 3.6Å; C1053-A1055 HydrophobicContact CB-CB 3.46Å; C1053-A1055 VanDerWaalsContact CB-CB 3.46Å | |||
| 1054 | K | 32.9 | Very low | 33.1 | Very low | 215 Ų | 215 | 94.6 Ų | 94.6 | 94% | 0.935 | 55% | 0.548 | S | S | * | . | cis | 40.5 | 39.8 | 17.7 | -76 | -178.2 | 177.8 | 171.6 | 0 | 115.8 | C1052 | C1052-K1054 PolarHBondContact O-N 2.89Š| ||
| 1055 | A | 35 | Very low | 33 | Very low | 71 Ų | 71 | 95.5 Ų | 95.5 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | cis | 18.3 | 119.8 | 23.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | C1053 | C1053-A1055 VanDerWaalsContact C-CB 3.49Å; C1053-A1055 CarbonylContact C-O 3.6Å; C1053-A1055 HydrophobicContact CB-CB 3.46Å; C1053-A1055 VanDerWaalsContact CB-CB 3.46Å | ||
| 1056 | A | 29 | Very low | 32.8 | Very low | 76 Ų | 76 | 94.2 Ų | 94.2 | 63% | 0.628 | 54% | 0.539 | S | S | * | . | cis | -134.4 | 133.7 | 20.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1057 | M | 27.4 | Very low | 32.8 | Very low | 101 Ų | 101 | 96.1 Ų | 96.1 | 50% | 0.498 | 55% | 0.547 | S | S | . | . | 57.4 | 116.9 | 123 | -53.4 | 163.3 | -179.6 | 0 | 0 | 116.4 | N85 D86 | N85-M1057 PolarHBondContact OD1-O 3.24Å; D86-M1057 HydrophobicContact CB-CB 4.18Å; D86-M1057 HydrophobicContact CB-CE 4.35Å; D86-M1057 HydrophobicContact CB-CG 3.87Å; D86-M1057 HydrophobicContact CB-SD 3.63Å; D86-M1057 WeakPolarHBondContact OD1-CG 3.27Å; D86-M1057 VanDerWaalsContact OD2-CE 3.24Å; D86-M1057 WeakPolarHBondContact OD2-CE 3.28Å | |||
| 1058 | G | 32 | Very low | 32.9 | Very low | 18 Ų | 18 | 96.1 Ų | 96.1 | 19% | 0.186 | 55% | 0.55 | C | S | . | * | cis | 72.6 | 102.2 | 5.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E83 N85 D86 | E83-G1058 WeakPolarHBondContact O-CA 3.48Å; N85-G1058 CarbonylContact C-O 3.52Å; N85-G1058 PolarHBondContact N-O 3.04Å; D86-G1058 WeakPolarHBondContact CA-O 3.07Å; D86-G1058 VanDerWaalsContact N-C 3.34Å; D86-G1058 PolarHBondContact N-O 2.6Å | ||
| 1059 | A | 29.1 | Very low | 32.8 | Very low | 1 Ų | 1 | 101.3 Ų | 101.3 | 1% | 0.008 | 57% | 0.571 | C | S | . | * | trans | 98.9 | 61.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | E83 Q84 N85 D86 K87 | E83-A1059 VanDerWaalsContact CA-CA 3.44Å; E83-A1059 VanDerWaalsContact CA-N 3.3Å; E83-A1059 HydrophobicContact CB-CB 3.62Å; E83-A1059 HydrophobicContact CG-CB 3.46Å; E83-A1059 VanDerWaalsContact CG-CB 3.46Å; E83-A1059 PolarHBondContact O-N 3.17Å; Q84-A1059 VanDerWaalsContact C-N 3.28Å; N85-A1059 CarbonylContact C-O 3.54Å; N85-A1059 VanDerWaalsContact N-CA 3.32Å; D86-A1059 CarbonylContact C-O 3.58Å; D86-A1059 VanDerWaalsContact C-O 3.3Å; D86-A1059 WeakPolarHBondContact CA-O 3.39Å; D86-A1059 VanDerWaalsContact N-CA 3.26Å; D86-A1059 PolarHBondContact N-O 3.03Å; K87-A1059 VanDerWaalsContact C-CB 3.46Å; K87-A1059 CarbonylContact C-O 3.5Å; K87-A1059 VanDerWaalsContact CA-O 3.3Å; K87-A1059 WeakPolarHBondContact CA-O 3.39Å; K87-A1059 WeakPolarHBondContact CB-O 3.36Å; K87-A1059 PolarHBondContact N-O 2.83Å; K87-A1059 CarbonylContact O-C 3.54Å; K87-A1059 WeakPolarHBondContact O-CB 3.46Å | ||
| 1060 | V | 34.3 | Very low | 32.3 | Very low | 43 Ų | 43 | 101.6 Ų | 101.6 | 26% | 0.261 | 57% | 0.574 | S | S | . | * | trans | -145.4 | 131.9 | 169.8 | 117.8 | 0 | 0 | 0 | 0 | 109.1 | Q84 N85 V89 | Q84-V1060 VanDerWaalsContact O-CA 3.31Å; Q84-V1060 WeakPolarHBondContact O-CA 3.01Å; Q84-V1060 WeakPolarHBondContact O-CB 3.31Å; Q84-V1060 WeakPolarHBondContact O-CG1 3.5Å; Q84-V1060 PolarHBondContact O-N 3.15Å; N85-V1060 HydrophobicContact CB-CB 3.86Å; N85-V1060 HydrophobicContact CB-CG1 4.34Å; N85-V1060 HydrophobicContact CB-CG2 4.36Å; N85-V1060 VanDerWaalsContact O-CG2 3.22Å; N85-V1060 WeakPolarHBondContact O-CG2 3.3Å; V89-V1060 WeakPolarHBondContact CG2-O 3.41Å | ||
| 1061 | R | 40.7 | Very low | 32 | Very low | 161 Ų | 161 | 101 Ų | 101 | 61% | 0.608 | 58% | 0.579 | S | S | * | * | cis | -139 | 132.1 | -4.5 | -154.9 | 171.6 | 178.2 | 162.9 | -6.2 | 106.4 | ||||
| 1062 | P | 29.2 | Very low | 31.9 | Very low | 46 Ų | 46 | 102.6 Ų | 102.6 | 30% | 0.299 | 58% | 0.584 | S | S | . | * | trans | -63 | 142.7 | 162.6 | 26.5 | -30.7 | 0 | 0 | 0 | 107.8 | K87 R88 V89 | K87-P1062 HydrophobicContact CB-CG 4.39Å; K87-P1062 WeakPolarHBondContact O-CD 3.28Å; R88-P1062 WeakPolarHBondContact O-CB 3.3Å; R88-P1062 VanDerWaalsContact O-CD 3.28Å; R88-P1062 WeakPolarHBondContact O-CD 3.35Å; R88-P1062 WeakPolarHBondContact O-CG 3.29Å; V89-P1062 VanDerWaalsContact O-CA 3.31Å; V89-P1062 WeakPolarHBondContact O-CA 3.33Å; V89-P1062 WeakPolarHBondContact O-CB 3.44Å | ||
| 1063 | L | 36.6 | Very low | 32.1 | Very low | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | trans | -163.1 | 62 | 138.7 | -106.4 | 154.2 | 0 | 0 | 0 | 110.7 | L1065 | L1063-L1065 VanDerWaalsContact C-N 3.29Å; L1063-L1065 PolarHBondContact O-N 3.31Å; L1063-L1065 VanDerWaalsContact O-N 3.14Å | ||
| 1064 | V | 30.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 101.6 Ų | 101.6 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | trans | -68.9 | 100.4 | 143.9 | 175.1 | 0 | 0 | 0 | 0 | 104.9 | L10 | L10-V1064 HydrophobicContact CD1-CB 4.16Å; L10-V1064 HydrophobicContact CD1-CG2 3.33Å; L10-V1064 HydrophobicContact CD2-CG2 3.71Å; L10-V1064 HydrophobicContact CG-CG2 4.13Å | ||
| 1065 | L | 28.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 97 Ų | 97 | 67% | 0.665 | 60% | 0.595 | S | S | * | * | trans | -177.8 | 141.6 | 142.9 | -120.5 | 64.1 | 0 | 0 | 0 | 111.7 | L1063 | L1063-L1065 VanDerWaalsContact C-N 3.29Å; L1063-L1065 PolarHBondContact O-N 3.31Å; L1063-L1065 VanDerWaalsContact O-N 3.14Å | ||
| 1066 | L | 31.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 102.7 Ų | 102.7 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | trans | 66.3 | 148.5 | 163.7 | -80.8 | 74.8 | 0 | 0 | 0 | 120.2 | ||||
| 1067 | V | 32.1 | Very low | 31.8 | Very low | 118 Ų | 118 | 104.7 Ų | 104.7 | 72% | 0.715 | 61% | 0.611 | S | S | * | * | cis | -167.4 | 159.6 | -32.9 | 83.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1068 | V | 34.7 | Very low | 32.4 | Very low | 106 Ų | 106 | 105 Ų | 105 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | trans | 85.4 | 125.1 | 146.7 | 131 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1069 | M | 32 | Very low | 32.3 | Very low | 160 Ų | 160 | 110 Ų | 110 | 79% | 0.788 | 65% | 0.649 | S | S | * | * | trans | 73.5 | 139.3 | 146.8 | -70.8 | 178.5 | -174.1 | 0 | 0 | 121.6 | ||||
| 1070 | T | 28.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 113.8 Ų | 113.8 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | cis | -171 | 171.5 | -34.7 | 7.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1071 | V | 30.3 | Very low | 32.1 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | 78.4 | 113.4 | 141.9 | 156.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1072 | V | 30.8 | Very low | 31.6 | Very low | 141 Ų | 141 | 117.9 Ų | 117.9 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | trans | 51.9 | 120.3 | 136.9 | -174.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1073 | G | 31.8 | Very low | 31.9 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | cis | 133.8 | 177.6 | 33.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1074 | G | 30.4 | Very low | 31.5 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | 99.6 | 160.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1075 | P | 35.5 | Very low | 31.3 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -135.5 | -161.4 | -149.3 | 41.7 | -21.8 | 0 | 0 | 0 | 114.7 | ||||
| 1076 | F | 29.8 | Very low | 31.4 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | 84.4 | 116 | 160.5 | -97.6 | -121.3 | 0 | 0 | 0 | 120 | ||||
| 1077 | V | 32.1 | Very low | 31.2 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | 81.6 | 133.2 | 135.7 | 166.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1078 | P | 38.4 | Very low | 31 | Very low | 108 Ų | 108 | 122 Ų | 122 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -90.5 | -166.4 | 175.5 | 44.6 | -41.9 | 0 | 0 | 0 | 109.9 | ||||
| 1079 | P | 30.2 | Very low | 30.7 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | cis | -139.5 | -137 | 8.6 | 45.2 | -23.8 | 0 | 0 | 0 | 113.7 | ||||
| 1080 | A | 30.7 | Very low | 30.6 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | -43.1 | 150.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1081 | K | 30.3 | Very low | 30.3 | Very low | 202 Ų | 202 | 130.2 Ų | 130.2 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | 74.6 | 121.1 | 158.8 | -64.7 | 177.3 | 176.8 | 180 | 0 | 118.5 | ||||
| 1082 | A | 29.5 | Very low | 30.2 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | 69.3 | 174.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1083 | T | 35.2 | Very low | 30 | Very low | 125 Ų | 125 | 133 Ų | 133 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | cis | -154 | 167.9 | -1.6 | -19.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1084 | C | 29.1 | Very low | 29.8 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | 58.6 | 120.1 | 152.4 | -62.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1085 | E | 24.6 | Very low | 29.9 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -103.1 | 150.7 | 132.6 | -163.8 | 176 | -124 | 0 | 0 | 107.9 | I1087 | E1085-I1087 HydrophobicContact CG-CD1 3.92Š| ||
| 1086 | T | 31.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | -137.9 | 93.6 | -162.7 | -52.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1087 | I | 27 | Very low | 30.3 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -142.5 | 143 | 174.5 | -62.7 | 94.9 | 0 | 0 | 0 | 109.1 | E1085 | E1085-I1087 HydrophobicContact CG-CD1 3.92Š| ||
| 1088 | G | 27.8 | Very low | 30.9 | Very low | 57 Ų | 57 | 133.4 Ų | 133.4 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | cis | 166.3 | 84.2 | -8.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1089 | S | 29.2 | Very low | 30.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 74.4 | 159.3 | 166.2 | 87 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1090 | R | 29.9 | Very low | 31 | Very low | 225 Ų | 225 | 137.3 Ų | 137.3 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | cis | -130.6 | 137.8 | 5.4 | -64 | 177.8 | 174.2 | -172.5 | -2.2 | 112.3 | ||||
| 1091 | Y | 22.3 | Very low | 31.4 | Very low | 211 Ų | 211 | 142.6 Ų | 142.6 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | S | Bend | -149 | 103.1 | 124 | -108.5 | -77.6 | 0 | 0 | 0 | 110 | |||
| 1092 | R | 27.5 | Very low | 31.4 | Very low | 214 Ų | 214 | 144 Ų | 144 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | 32.5 | 141.2 | 154.9 | -46 | -177.7 | -175 | -156.6 | 1.4 | 121.3 | ||||
| 1093 | S | 28.2 | Very low | 31.3 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -50.9 | 148.7 | 143.9 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1094 | P | 26.8 | Very low | 31.2 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | -141.7 | -149.7 | 54.5 | 48 | -28.8 | 0 | 0 | 0 | 111.5 | |||||
| 1095 | P | 31.9 | Very low | 31.1 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -89.1 | -164.6 | -174.5 | 38.8 | -34.8 | 0 | 0 | 0 | 112.5 | ||||
| 1096 | L | 31 | Very low | 31.1 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | 77.9 | 109.6 | 173.7 | -56.5 | 160 | 0 | 0 | 0 | 111.9 | ||||
| 1097 | S | 44.3 | Very low | 31.1 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | 81.4 | 170.6 | 74.5 | 78.9 | 0 | 0 | 0 | 0 | 113.4 | E1099 | S1097-E1099 PolarHBondContact O-N 2.9Š| |||
| 1098 | S | 42.8 | Very low | 31.3 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -59.9 | 116.3 | 178.5 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1099 | E | 34.2 | Very low | 31.2 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -157.6 | 119.4 | 145.4 | -99.1 | 178.4 | 166.5 | 0 | 0 | 105.9 | S1097 | S1097-E1099 PolarHBondContact O-N 2.9Š| ||
| 1100 | E | 37.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 151.1 Ų | 151.1 | 62% | 0.621 | 78% | 0.781 | S | S | * | * | 91 | 123.8 | 54.1 | -74.4 | -141.8 | 129.9 | 0 | 0 | 114.9 | |||||
| 1101 | R | 37.8 | Very low | 30.9 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | 37.1 | 116 | 139.9 | -45.8 | 177 | -154.4 | -150.5 | 10 | 119.2 | ||||
| 1102 | R | 30.6 | Very low | 31 | Very low | 231 Ų | 231 | 143.9 Ų | 143.9 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | 169.8 | 169.5 | 113.9 | -91.7 | 153.6 | 176.9 | 157.2 | -1.1 | 112.5 | |||||
| 1103 | L | 28.2 | Very low | 30.9 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 69.8 | 107 | -177.6 | -49.6 | -179 | 0 | 0 | 0 | 112.1 | ||||
| 1104 | L | 33.3 | Very low | 30.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | cis | 66.3 | 128.5 | 29.7 | -77.1 | 163 | 0 | 0 | 0 | 115.6 | ||||
| 1105 | N | 25.6 | Very low | 30.6 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 92.9 | 112.4 | 162.9 | -56 | -17.6 | 0 | 0 | 0 | 120.4 | ||||
| 1106 | A | 25.7 | Very low | 30.5 | Very low | 96 Ų | 96 | 146 Ų | 146 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | 72.9 | 121.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1107 | S | 30.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 37.1 | 109.8 | 141.6 | -56.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1108 | P | 31.5 | Very low | 29.4 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 104.2 | 160.8 | 33.8 | -28.1 | 0 | 0 | 0 | 111.5 | ||||
| 1109 | C | 25.9 | Very low | 28.7 | Very low | 104 Ų | 104 | 150.9 Ų | 150.9 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | trans | -126.3 | 152.5 | 169.3 | -84.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1110 | F | 28.9 | Very low | 28.3 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | 37.3 | 106 | 152.3 | -83.3 | -100.8 | 0 | 0 | 0 | 119.6 | ||||
| 1111 | L | 24.1 | Very low | 27.7 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -161.4 | 141.1 | 141 | -89.7 | 124.8 | 0 | 0 | 0 | 109.2 | ||||
| 1112 | V | 23.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | cis | -151.5 | 132.1 | -26.4 | 115.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1113 | A | 26.3 | Very low | 26.8 | Very low | 102 Ų | 102 | 143 Ų | 143 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -157.5 | 101.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1114 | Q | 22.6 | Very low | 26.6 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -87.1 | 128.1 | -171.5 | -61.1 | 164 | -69.1 | 0 | 0 | 110.8 | ||||
| 1115 | M | 26.7 | Very low | 26.2 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -152.4 | 90.7 | 152.4 | -114.9 | 172.7 | -170.4 | 0 | 0 | 112.9 | ||||
| 1116 | T | 28.5 | Very low | 26.3 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | 23.7 | 105.5 | 144.4 | 47.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1117 | V | 24.5 | Very low | 26.3 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | 26.5 | 120.6 | 117.4 | -175.9 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1118 | K | 28 | Very low | 26.2 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -136.9 | 132.5 | 135.8 | -85.6 | -167 | 175.7 | 178.7 | 0 | 110.9 | ||||
| 1119 | N | 27.1 | Very low | 26.1 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -75.9 | 147.3 | 169.8 | -67.6 | -23.4 | 0 | 0 | 0 | 110.4 | ||||
| 1120 | I | 27.5 | Very low | 26.4 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -132.1 | 133.5 | 149.5 | -61.6 | -176.6 | 0 | 0 | 0 | 107.6 | ||||
| 1121 | T | 24.7 | Very low | 26.5 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -129.3 | 126.3 | -173.9 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1122 | A | 24.6 | Very low | 27.1 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | trans | -164.5 | 112.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1123 | Q | 24.2 | Very low | 28 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | 74.6 | 74.4 | 64.8 | -73.8 | -164.5 | -48.2 | 0 | 0 | 116.4 | |||||
| 1124 | A | 25 | Very low | 28.6 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | trans | -169.9 | 96.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1125 | M | 24.8 | Very low | 29.7 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | 57.1 | 126.2 | 76.4 | -60.3 | -166.3 | -167.2 | 0 | 0 | 114.4 | |||||
| 1126 | S | 26.9 | Very low | 30.6 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 58% | 0.58 | 69% | 0.693 | S | S | * | * | cis | -173.7 | 147.5 | -7.2 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1127 | H | 26.8 | Very low | 31.9 | Very low | 184 Ų | 184 | 120.3 Ų | 120.3 | 85% | 0.852 | 67% | 0.672 | S | S | * | * | trans | 62 | 133.6 | 157 | -44.4 | -47.7 | 0 | 0 | 0 | 117.5 | ||||
| 1128 | S | 28.9 | Very low | 32.7 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | cis | -166.1 | 170.2 | 23 | 61 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1129 | S | 27.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | 85.2 | 142.6 | 154.3 | 79.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1130 | A | 31.7 | Very low | 33.8 | Very low | 49 Ų | 49 | 119.7 Ų | 119.7 | 41% | 0.405 | 67% | 0.674 | S | S | . | * | trans | 56.8 | 107.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1131 | L | 32 | Very low | 34.3 | Very low | 123 Ų | 123 | 123 Ų | 123 | 64% | 0.644 | 68% | 0.676 | S | S | * | * | trans | -82.5 | 138.3 | 157.6 | -142.9 | 83.6 | 0 | 0 | 0 | 109.3 | T1150 | L1131-T1150 HydrophobicContact CB-CG2 3.87Å; L1131-T1150 VanDerWaalsContact CB-OG1 3.28Å; L1131-T1150 WeakPolarHBondContact CB-OG1 3.48Å; L1131-T1150 HydrophobicContact CD2-CG2 4.43Å; L1131-T1150 PolarHBondContact N-OG1 3.08Å; L1131-T1150 PolarHBondContact O-N 3.14Å; L1131-T1150 VanDerWaalsContact O-N 3.07Å; L1131-T1150 PolarHBondContact O-OG1 3.19Å | ||
| 1132 | V | 37.4 | Very low | 34.7 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 36% | 0.364 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.3 | -177.7 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | V1147 Y1149 | V1132-V1147 HydrophobicContact CG1-CG1 3.47Å; V1132-V1147 VanDerWaalsContact CG1-CG1 3.47Å; V1132-Y1149 HydrophobicContact CG2-CD1 3.78Å; V1132-Y1149 HydrophobicContact CG2-CE1 3.8Å |
| 1133 | T | 42.5 | Very low | 35.2 | Very low | 65 Ų | 65 | 128 Ų | 128 | 40% | 0.399 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.2 | 179.1 | 58 | 0 | 0 | 0 | 0 | 111 | H1148 | T1133-H1148 PolarHBondContact N-O 2.98Å; T1133-H1148 PolarHBondContact O-N 3.24Å; T1133-H1148 WeakPolarHBondContact OG1-CB 3.02Å; T1133-H1148 PolarHBondContact OG1-O 3.33Å; T1133-H1148 VanDerWaalsContact OG1-O 3.12Å |
| 1134 | W | 38.1 | Very low | 36.2 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.2 | -177.8 | -60.2 | 76.4 | 0 | 0 | 0 | 109.2 | V1147 | W1134-V1147 HydrophobicContact CD2-CG2 4.15Å; W1134-V1147 HydrophobicContact CE3-CG2 3.7Å; W1134-V1147 HydrophobicContact CH2-CG2 3.74Å; W1134-V1147 HydrophobicContact CZ2-CG2 4.19Å; W1134-V1147 HydrophobicContact CZ3-CG2 3.48Å; W1134-V1147 VanDerWaalsContact CZ3-CG2 3.48Å |
| 1135 | K | 46.9 | Very low | 37.2 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 61% | 0.609 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.1 | 170.8 | -77.6 | -172.7 | 173.5 | -177.8 | 0 | 110.5 | Y1145 K1146 | K1135-Y1145 CarbonylContact O-C 3.57Å; K1135-Y1145 WeakPolarHBondContact O-CA 3.08Å; K1135-K1146 PolarHBondContact N-O 3.11Å; K1135-K1146 PolarHBondContact O-N 3.06Å |
| 1136 | P | 43.7 | Very low | 38.4 | Very low | 93 Ų | 93 | 120.6 Ų | 120.6 | 60% | 0.604 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 145.2 | 172.9 | 28.6 | -34.3 | 0 | 0 | 0 | 110.7 | Y1145 | P1136-Y1145 HydrophobicContact CB-CD1 4.18Å; P1136-Y1145 HydrophobicContact CB-CE1 4.03Å |
| 1137 | I | 57.8 | Low | 39.3 | Very low | 60 Ų | 60 | 118.9 Ų | 118.9 | 31% | 0.308 | 60% | 0.599 | S | S | . | * | trans | -77.9 | 123.5 | 174.5 | -62.8 | 173.7 | 0 | 0 | 0 | 108.5 | D1139 G1144 K1146 | I1137-D1139 PolarHBondContact O-N 3.1Å; I1137-G1144 PolarHBondContact N-O 2.64Å; I1137-K1146 HydrophobicContact CG1-CB 4.36Å | ||
| 1138 | S | 39.7 | Very low | 40.3 | Very low | 125 Ų | 125 | 114.9 Ų | 114.9 | 87% | 0.874 | 58% | 0.58 | S | S | * | * | trans | -100.7 | 62.9 | -171.4 | 64.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1139 | D | 42.6 | Very low | 41.2 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 66% | 0.663 | 57% | 0.571 | S | S | * | * | trans | -134.5 | 144.9 | 164.5 | -159.5 | -2.3 | 0 | 0 | 0 | 111.6 | I1137 R1141 | I1137-D1139 PolarHBondContact O-N 3.1Å; D1139-R1141 PolarHBondContact O-N 3.34Å | ||
| 1140 | K | 36.8 | Very low | 42.1 | Very low | 205 Ų | 205 | 114.9 Ų | 114.9 | 89% | 0.891 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 23.6 | -154.3 | -60.7 | -175.6 | 177.3 | -177.8 | 0 | 114.9 | ||
| 1141 | R | 36.5 | Very low | 42.7 | Very low | 241 Ų | 241 | 119.9 Ų | 119.9 | 91% | 0.909 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.2 | -9.8 | -174.9 | -66.7 | -171.5 | 179.1 | 177.4 | 0.8 | 116.2 | D1139 | D1139-R1141 PolarHBondContact O-N 3.34Š|
| 1142 | V | 33.1 | Very low | 42.9 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | trans | -140.2 | 137.8 | -179.3 | -166 | 0 | 0 | 0 | 0 | 110.1 | M1164 | V1142-M1164 HydrophobicContact CG1-CE 3.86Å; V1142-M1164 HydrophobicContact CG1-SD 3.62Å | ||
| 1143 | R | 36 | Very low | 42.7 | Very low | 237 Ų | 237 | 123.2 Ų | 123.2 | 89% | 0.894 | 59% | 0.588 | S | S | * | * | trans | -97.7 | 116.5 | 174 | -73.2 | -177.8 | 173.7 | -177.3 | -2.3 | 109.5 | ||||
| 1144 | G | 45.1 | Very low | 42.7 | Very low | 12 Ų | 12 | 126.3 Ų | 126.3 | 12% | 0.124 | 61% | 0.613 | C | S | . | * | trans | -162.1 | 169 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1137 | I1137-G1144 PolarHBondContact N-O 2.64Š| ||
| 1145 | Y | 45.6 | Very low | 42.6 | Very low | 150 Ų | 150 | 124.7 Ų | 124.7 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.5 | 179.5 | -69.6 | -92.2 | 0 | 0 | 0 | 111.5 | K1135 P1136 | K1135-Y1145 CarbonylContact O-C 3.57Å; K1135-Y1145 WeakPolarHBondContact O-CA 3.08Å; P1136-Y1145 HydrophobicContact CB-CD1 4.18Å; P1136-Y1145 HydrophobicContact CB-CE1 4.03Å |
| 1146 | K | 49.8 | Very low | 42.1 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.5 | 175.1 | -169.3 | 161 | -172 | 155.9 | 0 | 110.4 | K1135 I1137 | K1135-K1146 PolarHBondContact N-O 3.11Å; K1135-K1146 PolarHBondContact O-N 3.06Å; I1137-K1146 HydrophobicContact CG1-CB 4.36Å |
| 1147 | V | 45.7 | Very low | 42 | Very low | 46 Ų | 46 | 126.5 Ų | 126.5 | 28% | 0.279 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.5 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | V1132 W1134 Y1149 | V1132-V1147 HydrophobicContact CG1-CG1 3.47Å; V1132-V1147 VanDerWaalsContact CG1-CG1 3.47Å; W1134-V1147 HydrophobicContact CD2-CG2 4.15Å; W1134-V1147 HydrophobicContact CE3-CG2 3.7Å; W1134-V1147 HydrophobicContact CH2-CG2 3.74Å; W1134-V1147 HydrophobicContact CZ2-CG2 4.19Å; W1134-V1147 HydrophobicContact CZ3-CG2 3.48Å; W1134-V1147 VanDerWaalsContact CZ3-CG2 3.48Å; V1147-Y1149 HydrophobicContact CG1-CE2 4.1Å |
| 1148 | H | 48.8 | Very low | 40.8 | Very low | 100 Ų | 100 | 132 Ų | 132 | 46% | 0.463 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 118.9 | 173.8 | -97.8 | -90.1 | 0 | 0 | 0 | 110.9 | T1133 | T1133-H1148 PolarHBondContact N-O 2.98Å; T1133-H1148 PolarHBondContact O-N 3.24Å; T1133-H1148 WeakPolarHBondContact OG1-CB 3.02Å; T1133-H1148 PolarHBondContact OG1-O 3.33Å; T1133-H1148 VanDerWaalsContact OG1-O 3.12Å |
| 1149 | Y | 47 | Very low | 40.5 | Very low | 139 Ų | 139 | 134 Ų | 134 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.9 | 142.1 | 170.1 | -63.1 | -87 | 0 | 0 | 0 | 110.6 | V1132 V1147 | V1132-Y1149 HydrophobicContact CG2-CD1 3.78Å; V1132-Y1149 HydrophobicContact CG2-CE1 3.8Å; V1147-Y1149 HydrophobicContact CG1-CE2 4.1Å |
| 1150 | T | 48.5 | Very low | 40.3 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 49% | 0.485 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -85.1 | -15 | -179.9 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | L1131 | L1131-T1150 HydrophobicContact CB-CG2 3.87Å; L1131-T1150 VanDerWaalsContact CB-OG1 3.28Å; L1131-T1150 WeakPolarHBondContact CB-OG1 3.48Å; L1131-T1150 HydrophobicContact CD2-CG2 4.43Å; L1131-T1150 PolarHBondContact N-OG1 3.08Å; L1131-T1150 PolarHBondContact O-N 3.14Å; L1131-T1150 VanDerWaalsContact O-N 3.07Å; L1131-T1150 PolarHBondContact O-OG1 3.19Å |
| 1151 | Q | 43.6 | Very low | 40.3 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -144.3 | 143 | 171.1 | -74.4 | -177.3 | -31.7 | 0 | 0 | 108.8 | P1153 | Q1151-P1153 WeakPolarHBondContact O-CD 3.4Š|
| 1152 | E | 36.5 | Very low | 40.5 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | trans | -81.3 | 124.8 | -175.2 | -71.1 | -167.4 | 108.4 | 0 | 0 | 113.2 | R1159 | E1152-R1159 IonicContact OE1-CZ 2.73Å; E1152-R1159 IonicContact OE1-NH2 3.12Å; E1152-R1159 PolarHBondContact OE1-NH2 3.11Å | ||
| 1153 | P | 33.5 | Very low | 40.8 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 62% | 0.623 | 61% | 0.614 | S | S | * | * | trans | -78.2 | 144 | 159.7 | -10.8 | 29.5 | 0 | 0 | 0 | 110.7 | Q1151 N1155 | Q1151-P1153 WeakPolarHBondContact O-CD 3.4Å; P1153-N1155 VanDerWaalsContact C-N 3.33Å; P1153-N1155 PolarHBondContact O-N 3.5Å | ||
| 1154 | S | 40.7 | Very low | 40.9 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 92% | 0.916 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -81.4 | 16.9 | -157.5 | 58.6 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1155 | N | 36.4 | Very low | 40.6 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | trans | -119.2 | 128.5 | -174.6 | -156.2 | -7.9 | 0 | 0 | 0 | 113.4 | P1153 S1157 | P1153-N1155 VanDerWaalsContact C-N 3.33Å; P1153-N1155 PolarHBondContact O-N 3.5Å; N1155-S1157 PolarHBondContact O-N 3.28Å | ||
| 1156 | K | 37.1 | Very low | 40 | Very low | 182 Ų | 182 | 125 Ų | 125 | 79% | 0.791 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -82.5 | -1.7 | -157.9 | -68.9 | -177.8 | 177.2 | 177.6 | 0 | 116 | W1158 | K1156-W1158 PolarHBondContact O-N 3.01Š|
| 1157 | S | 41.4 | Very low | 39.3 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 62% | 0.622 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -82.1 | -3.2 | -169.9 | 58.8 | 0 | 0 | 0 | 0 | 116.2 | N1155 | N1155-S1157 PolarHBondContact O-N 3.28Š|
| 1158 | W | 32.7 | Very low | 38.7 | Very low | 176 Ų | 176 | 125 Ų | 125 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -109.6 | 23 | -171.6 | -65.1 | 89 | 0 | 0 | 0 | 114 | K1156 I1191 | K1156-W1158 PolarHBondContact O-N 3.01Å; W1158-I1191 HydrophobicContact CH2-CG2 4.5Å |
| 1159 | R | 32.9 | Very low | 38 | Very low | 168 Ų | 168 | 121.5 Ų | 121.5 | 63% | 0.634 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -92.7 | 142.3 | 172.7 | -65.1 | -177.5 | 175.3 | -173.6 | -3.1 | 109.2 | E1152 | E1152-R1159 IonicContact OE1-CZ 2.73Å; E1152-R1159 IonicContact OE1-NH2 3.12Å; E1152-R1159 PolarHBondContact OE1-NH2 3.11Å |
| 1160 | D | 37.9 | Very low | 37.3 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 84% | 0.84 | 64% | 0.641 | S | S | * | * | trans | 64.8 | 54.4 | 170.2 | -47.7 | -38 | 0 | 0 | 0 | 117.5 | ||||
| 1161 | K | 37 | Very low | 36.5 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 70% | 0.7 | 65% | 0.648 | S | S | * | * | trans | -111.5 | 123.4 | 154.2 | -81.4 | -170.3 | 177.4 | -176.6 | 0 | 110.7 | D1192 | K1161-D1192 IonicContact NZ-OD2 3.31Å; K1161-D1192 PolarHBondContact NZ-OD2 2.82Å | ||
| 1162 | E | 41.6 | Very low | 36 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | trans | -91.6 | 137.2 | 165.3 | -57.8 | -172.1 | 146 | 0 | 0 | 109 | M1164 | E1162-M1164 HydrophobicContact CB-CE 4.13Š| ||
| 1163 | I | 38.9 | Very low | 35.9 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 44% | 0.441 | 64% | 0.642 | S | S | . | * | B | Isolated β-bridge | trans | -106.2 | 117.6 | -177 | -57.3 | 177.7 | 0 | 0 | 0 | 108.7 | ||
| 1164 | M | 38.6 | Very low | 35.9 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 49% | 0.493 | 64% | 0.642 | S | S | . | * | trans | -126.9 | 0.5 | -168.4 | -60.7 | -67.1 | -161.2 | 0 | 0 | 114.4 | V1142 E1162 | V1142-M1164 HydrophobicContact CG1-CE 3.86Å; V1142-M1164 HydrophobicContact CG1-SD 3.62Å; E1162-M1164 HydrophobicContact CB-CE 4.13Å | ||
| 1165 | D | 38.1 | Very low | 35.6 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 68% | 0.684 | 64% | 0.635 | S | S | * | * | trans | -146.7 | 154.3 | -171.5 | -153 | 51.3 | 0 | 0 | 0 | 111.8 | ||||
| 1166 | P | 34.5 | Very low | 35.4 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 61% | 0.61 | 64% | 0.639 | S | S | * | * | trans | -110.7 | 9.6 | -147.8 | 41.7 | -38.3 | 0 | 0 | 0 | 118.8 | ||||
| 1167 | T | 33.5 | Very low | 35.2 | Very low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 63% | 0.633 | S | S | * | * | trans | -105.7 | 119.6 | -160 | -41.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1168 | A | 34.2 | Very low | 34.7 | Very low | 42 Ų | 42 | 128.1 Ų | 128.1 | 35% | 0.347 | 64% | 0.643 | S | S | . | * | trans | -155.1 | -168.7 | -143.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | I1189 L1190 | A1168-I1189 HydrophobicContact CB-CB 3.71Å; A1168-I1189 HydrophobicContact CB-CD1 4.06Å; A1168-I1189 HydrophobicContact CB-CG1 3.53Å; A1168-I1189 HydrophobicContact CB-CG2 3.51Å; A1168-L1190 HydrophobicContact CB-CB 3.65Å; A1168-L1190 HydrophobicContact CB-CD1 4.02Å; A1168-L1190 HydrophobicContact CB-CG 3.48Å; A1168-L1190 VanDerWaalsContact CB-CG 3.48Å | ||
| 1169 | D | 33.3 | Very low | 34.6 | Very low | 28 Ų | 28 | 127.6 Ų | 127.6 | 15% | 0.15 | 65% | 0.653 | C | S | . | * | trans | -59.9 | 155.8 | -150.9 | -161.6 | 36.3 | 0 | 0 | 0 | 120 | L1171 L1172 L1190 | D1169-L1171 WeakPolarHBondContact OD1-CB 3.45Å; D1169-L1171 PolarHBondContact OD1-N 2.88Å; D1169-L1171 PolarHBondContact OD2-N 3.05Å; D1169-L1172 PolarHBondContact OD2-N 2.99Å; D1169-L1190 VanDerWaalsContact CB-CA 3.44Å | ||
| 1170 | R | 31.9 | Very low | 34.3 | Very low | 249 Ų | 249 | 127.9 Ų | 127.9 | 94% | 0.94 | 66% | 0.661 | S | S | * | * | trans | -144.1 | 28.4 | 160.7 | -64.7 | -172.3 | 155.6 | 145 | -7.5 | 114.1 | ||||
| 1171 | L | 33.2 | Very low | 33.7 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | trans | -119.2 | -6.3 | -164.9 | -65.7 | 168.6 | 0 | 0 | 0 | 117.1 | D1169 | D1169-L1171 WeakPolarHBondContact OD1-CB 3.45Å; D1169-L1171 PolarHBondContact OD1-N 2.88Å; D1169-L1171 PolarHBondContact OD2-N 3.05Å | ||
| 1172 | L | 32.8 | Very low | 33.1 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -108.9 | 8.3 | -173.7 | -96.4 | 166.4 | 0 | 0 | 0 | 118.3 | D1169 | D1169-L1172 PolarHBondContact OD2-N 2.99Š|
| 1173 | I | 34 | Very low | 32.4 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 56% | 0.559 | 68% | 0.676 | S | S | * | * | trans | -133.6 | 59.5 | -179.6 | -41.8 | -178.6 | 0 | 0 | 0 | 113.3 | L1176 | I1173-L1176 HydrophobicContact CG2-CB 4.36Å; I1173-L1176 HydrophobicContact CG2-CD1 4.19Å | ||
| 1174 | D | 33.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -108.1 | 3.4 | 166.4 | -126.7 | -2.6 | 0 | 0 | 0 | 113.5 | K1177 | D1174-K1177 WeakPolarHBondContact OD1-CE 3.37Å; D1174-K1177 IonicContact OD1-NZ 3.71Å; D1174-K1177 PolarHBondContact OD1-NZ 3.09Å |
| 1175 | G | 34.9 | Very low | 31 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -101 | -0.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 1176 | L | 32.2 | Very low | 30.4 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | -113.1 | 4.3 | -171.4 | -72.7 | 175.4 | 0 | 0 | 0 | 115.3 | I1173 Q1178 | I1173-L1176 HydrophobicContact CG2-CB 4.36Å; I1173-L1176 HydrophobicContact CG2-CD1 4.19Å; L1176-Q1178 VanDerWaalsContact C-N 3.26Å; L1176-Q1178 PolarHBondContact O-N 3.42Å | ||
| 1177 | K | 32.1 | Very low | 30 | Very low | 153 Ų | 153 | 142 Ų | 142 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 38.9 | -170.7 | -66.6 | 174.6 | 176.3 | 164.3 | 0 | 115 | D1174 | D1174-K1177 WeakPolarHBondContact OD1-CE 3.37Å; D1174-K1177 IonicContact OD1-NZ 3.71Å; D1174-K1177 PolarHBondContact OD1-NZ 3.09Å |
| 1178 | Q | 31.3 | Very low | 29.7 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | 9.6 | -166.4 | -131.9 | 179 | 18 | 0 | 0 | 118.4 | L1176 | L1176-Q1178 VanDerWaalsContact C-N 3.26Å; L1176-Q1178 PolarHBondContact O-N 3.42Å |
| 1179 | N | 30.5 | Very low | 29.3 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -145.1 | 149.6 | 159.6 | -86.5 | -54.6 | 0 | 0 | 0 | 109.7 | ||
| 1180 | E | 27.4 | Very low | 28.9 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -95.9 | 169.3 | -169.9 | -64.7 | -180 | 139.9 | 0 | 0 | 113 | ||||
| 1181 | H | 24.9 | Very low | 28.8 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 78% | 0.782 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 76.1 | 146 | -176.2 | -48 | -81.2 | 0 | 0 | 0 | 116.8 | ||
| 1182 | Y | 24.1 | Very low | 28.6 | Very low | 231 Ų | 231 | 135.1 Ų | 135.1 | 91% | 0.906 | 70% | 0.699 | S | S | * | * | trans | 63.9 | 86.6 | -178.4 | -57.3 | -81.3 | 0 | 0 | 0 | 118.5 | ||||
| 1183 | A | 26.5 | Very low | 28.5 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | trans | -172 | 141.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1184 | F | 23.5 | Very low | 28.3 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | trans | -147 | 148.7 | 142.3 | -132.7 | -95.7 | 0 | 0 | 0 | 109.3 | ||||
| 1185 | C | 24.8 | Very low | 28 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 68.9 | 66.6 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1186 | V | 25.2 | Very low | 27.7 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 78% | 0.782 | 71% | 0.707 | S | S | * | * | trans | -149.1 | 125.2 | 160.7 | -173.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1187 | R | 25.8 | Very low | 27.4 | Very low | 215 Ų | 215 | 133.3 Ų | 133.3 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | trans | 72.7 | 171 | 150.1 | -81.5 | -169.1 | 169.7 | 172.4 | -0.5 | 123.4 | ||||
| 1188 | T | 26.8 | Very low | 27.2 | Very low | 83 Ų | 83 | 131 Ų | 131 | 51% | 0.509 | 71% | 0.713 | S | S | . | * | cis | 165.5 | 123.7 | -31.7 | -90.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 1189 | I | 25.7 | Very low | 27.2 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 54% | 0.538 | 70% | 0.701 | S | S | . | * | 67.6 | 119.2 | 74.9 | -64.6 | -171.7 | 0 | 0 | 0 | 114.3 | A1168 | A1168-I1189 HydrophobicContact CB-CB 3.71Å; A1168-I1189 HydrophobicContact CB-CD1 4.06Å; A1168-I1189 HydrophobicContact CB-CG1 3.53Å; A1168-I1189 HydrophobicContact CB-CG2 3.51Å | |||
| 1190 | L | 26.9 | Very low | 27.2 | Very low | 61 Ų | 61 | 127.6 Ų | 127.6 | 32% | 0.319 | 70% | 0.7 | S | S | . | * | cis | -140.9 | 145.6 | 1.5 | -159.1 | 173.8 | 0 | 0 | 0 | 107.3 | A1168 D1169 | A1168-L1190 HydrophobicContact CB-CB 3.65Å; A1168-L1190 HydrophobicContact CB-CD1 4.02Å; A1168-L1190 HydrophobicContact CB-CG 3.48Å; A1168-L1190 VanDerWaalsContact CB-CG 3.48Å; D1169-L1190 VanDerWaalsContact CB-CA 3.44Å | ||
| 1191 | I | 29 | Very low | 27.6 | Very low | 81 Ų | 81 | 126 Ų | 126 | 42% | 0.415 | 70% | 0.697 | S | S | . | * | trans | 172.9 | 129 | 134.5 | -87.1 | 154.2 | 0 | 0 | 0 | 120.2 | W1158 | W1158-I1191 HydrophobicContact CH2-CG2 4.5Š| ||
| 1192 | D | 29.8 | Very low | 28 | Very low | 88 Ų | 88 | 119 Ų | 119 | 47% | 0.471 | 67% | 0.669 | S | S | . | * | trans | 4.7 | 158.4 | 149.4 | -48.7 | -5.5 | 0 | 0 | 0 | 123.7 | K1161 | K1161-D1192 IonicContact NZ-OD2 3.31Å; K1161-D1192 PolarHBondContact NZ-OD2 2.82Å | ||
| 1193 | G | 29 | Very low | 28.4 | Very low | 77 Ų | 77 | 113.8 Ų | 113.8 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | cis | 133.2 | 115.4 | -6.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1194 | A | 29.6 | Very low | 28.9 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | trans | -167.7 | 149.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1195 | V | 28.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | cis | -158.1 | 155.6 | -11.4 | 120.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1196 | S | 27.7 | Very low | 30 | Very low | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 59% | 0.591 | S | S | . | * | trans | 57.1 | 127.2 | 162.6 | 65.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1197 | E | 27 | Very low | 30.5 | Very low | 181 Ų | 181 | 105.3 Ų | 105.3 | 85% | 0.846 | 58% | 0.584 | S | S | * | * | trans | 63.4 | 93 | 130.5 | -64.5 | 167.7 | -159.7 | 0 | 0 | 119.8 | ||||
| 1198 | C | 27.3 | Very low | 30.7 | Very low | 106 Ų | 106 | 98 Ų | 98 | 72% | 0.716 | 56% | 0.564 | S | S | * | * | S | Bend | -175.7 | 107.4 | 121.3 | -110.3 | 0 | 0 | 0 | 0 | 111 | |||
| 1199 | S | 31.2 | Very low | 31.1 | Very low | 82 Ų | 82 | 101.2 Ų | 101.2 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | trans | 42.9 | 110.7 | 162.9 | 60.7 | 0 | 0 | 0 | 0 | 118.7 | N1201 A1202 | S1199-N1201 PolarHBondContact O-N 2.98Å; S1199-N1201 VanDerWaalsContact O-N 3.07Å; S1199-A1202 PolarHBondContact O-N 3.48Å | ||
| 1200 | E | 30.9 | Very low | 31.4 | Very low | 186 Ų | 186 | 99.8 Ų | 99.8 | 87% | 0.869 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -61.9 | -19.2 | -178.2 | -68.6 | 161.1 | 127.5 | 0 | 0 | 114.5 | A1202 | E1200-A1202 PolarHBondContact O-N 3.35Å; E1200-A1202 VanDerWaalsContact O-N 3.1Å |
| 1201 | N | 35.4 | Very low | 31.5 | Very low | 140 Ų | 140 | 100.2 Ų | 100.2 | 75% | 0.749 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -74.6 | 6.7 | -178.8 | -57.4 | 21.4 | 0 | 0 | 0 | 115 | S1199 | S1199-N1201 PolarHBondContact O-N 2.98Å; S1199-N1201 VanDerWaalsContact O-N 3.07Å |
| 1202 | A | 33.7 | Very low | 31.5 | Very low | 23 Ų | 23 | 101.9 Ų | 101.9 | 19% | 0.19 | 57% | 0.574 | C | S | . | * | G | 310 helix | trans | -96.7 | -16.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1199 E1200 | S1199-A1202 PolarHBondContact O-N 3.48Å; E1200-A1202 PolarHBondContact O-N 3.35Å; E1200-A1202 VanDerWaalsContact O-N 3.1Å |
| 1203 | F | 31.6 | Very low | 31.3 | Very low | 122 Ų | 122 | 105 Ų | 105 | 54% | 0.535 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -96.9 | -25.9 | -176.3 | -97.8 | -85.2 | 0 | 0 | 0 | 114.5 | A1205 I1206 Y1301 | F1203-A1205 PolarHBondContact O-N 2.84Å; F1203-I1206 PolarHBondContact O-N 3.4Å; F1203-Y1301 HydrophobicContact CE1-CE1 4.47Å; F1203-Y1301 HydrophobicContact CE2-CE1 4.43Å; F1203-Y1301 HydrophobicContact CZ-CD1 4.2Å; F1203-Y1301 AromaticContact CZ-CE1 3.6Å; F1203-Y1301 HydrophobicContact CZ-CE1 3.6Å |
| 1204 | E | 38.3 | Very low | 31.2 | Very low | 173 Ų | 173 | 108.1 Ų | 108.1 | 81% | 0.808 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -26.3 | 172.8 | -63.2 | -169.7 | 131.5 | 0 | 0 | 112.4 | I1206 | E1204-I1206 PolarHBondContact O-N 2.95Š|
| 1205 | A | 36.8 | Very low | 31.2 | Very low | 34 Ų | 34 | 110 Ų | 110 | 28% | 0.281 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -9.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1203 E1232 | F1203-A1205 PolarHBondContact O-N 2.84Å; A1205-E1232 CarbonylContact O-C 3.58Å; A1205-E1232 VanDerWaalsContact O-C 3.26Å |
| 1206 | I | 34.4 | Very low | 31.1 | Very low | 25 Ų | 25 | 109.1 Ų | 109.1 | 13% | 0.128 | 57% | 0.574 | C | S | . | * | trans | -130.1 | 67.4 | -175.4 | -55.3 | 161.2 | 0 | 0 | 0 | 108.9 | F1203 E1204 P1208 Y1231 G1233 W1292 | F1203-I1206 PolarHBondContact O-N 3.4Å; E1204-I1206 PolarHBondContact O-N 2.95Å; I1206-P1208 VanDerWaalsContact O-CD 3.29Å; I1206-P1208 WeakPolarHBondContact O-CD 3.16Å; I1206-Y1231 HydrophobicContact CD1-CE2 3.66Å; I1206-Y1231 HydrophobicContact CG1-CD2 4.41Å; I1206-Y1231 HydrophobicContact CG1-CE2 3.83Å; I1206-Y1231 HydrophobicContact CG2-CD2 4.01Å; I1206-Y1231 HydrophobicContact CG2-CE2 3.87Å; I1206-G1233 VanDerWaalsContact CG1-CA 3.48Å; I1206-W1292 HydrophobicContact CD1-CH2 3.43Å; I1206-W1292 VanDerWaalsContact CD1-CH2 3.43Å; I1206-W1292 HydrophobicContact CD1-CZ2 3.2Å | ||
| 1207 | Q | 33.9 | Very low | 31.2 | Very low | 135 Ų | 135 | 114.2 Ų | 114.2 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | trans | -71.2 | 119.8 | 152.2 | -68.8 | -165.5 | 0.1 | 0 | 0 | 108.3 | R1209 | Q1207-R1209 HydrophobicContact CB-CG 4.49Å; Q1207-R1209 PolarHBondContact O-N 3.06Å | ||
| 1208 | P | 31.5 | Very low | 31.3 | Very low | 62 Ų | 62 | 108.6 Ų | 108.6 | 40% | 0.403 | 56% | 0.564 | S | S | . | * | trans | -67.8 | 88.3 | 157.9 | 30.4 | -32.2 | 0 | 0 | 0 | 107 | I1206 Y1210 | I1206-P1208 VanDerWaalsContact O-CD 3.29Å; I1206-P1208 WeakPolarHBondContact O-CD 3.16Å; P1208-Y1210 HydrophobicContact CB-CD2 4.1Å; P1208-Y1210 HydrophobicContact CB-CE2 3.78Å; P1208-Y1210 HydrophobicContact CG-CD2 4.48Å; P1208-Y1210 HydrophobicContact CG-CE2 4.15Å; P1208-Y1210 WeakPolarHBondContact O-CD2 3.41Å; P1208-Y1210 PolarHBondContact O-N 2.62Å | ||
| 1209 | R | 35 | Very low | 31.5 | Very low | 150 Ų | 150 | 107.3 Ų | 107.3 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | trans | -66.1 | 81.4 | 168.6 | -92.7 | -178.7 | 162.2 | 175.3 | -6.8 | 108.3 | Q1207 V1211 L1230 | Q1207-R1209 HydrophobicContact CB-CG 4.49Å; Q1207-R1209 PolarHBondContact O-N 3.06Å; R1209-V1211 HydrophobicContact CB-CG2 4.44Å; R1209-V1211 PolarHBondContact O-N 3.15Å; R1209-L1230 HydrophobicContact CB-CD1 4.33Å | ||
| 1210 | Y | 32.5 | Very low | 31.5 | Very low | 75 Ų | 75 | 108.6 Ų | 108.6 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | trans | -62.8 | 89.9 | 159.5 | -71.4 | -77.7 | 0 | 0 | 0 | 107.4 | P1208 V1212 W1229 I1306 | P1208-Y1210 HydrophobicContact CB-CD2 4.1Å; P1208-Y1210 HydrophobicContact CB-CE2 3.78Å; P1208-Y1210 HydrophobicContact CG-CD2 4.48Å; P1208-Y1210 HydrophobicContact CG-CE2 4.15Å; P1208-Y1210 WeakPolarHBondContact O-CD2 3.41Å; P1208-Y1210 PolarHBondContact O-N 2.62Å; Y1210-V1212 PolarHBondContact O-N 2.92Å; Y1210-W1229 HydrophobicContact CE1-CZ3 4.1Å; Y1210-I1306 HydrophobicContact CE1-CD1 3.99Å | ||
| 1211 | V | 28.3 | Very low | 31.9 | Very low | 70 Ų | 70 | 102.6 Ų | 102.6 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | trans | -71.1 | 76.6 | 170.1 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | R1209 H1213 L1230 | R1209-V1211 HydrophobicContact CB-CG2 4.44Å; R1209-V1211 PolarHBondContact O-N 3.15Å; V1211-H1213 HydrophobicContact CG1-CB 4.21Å; V1211-L1230 HydrophobicContact CG2-CD1 4.01Å | ||
| 1212 | V | 29 | Very low | 32.5 | Very low | 115 Ų | 115 | 97.4 Ų | 97.4 | 70% | 0.697 | 49% | 0.49 | S | S | * | . | trans | -92.5 | 50.2 | 150 | -165.8 | 0 | 0 | 0 | 0 | 107.1 | Y1210 | Y1210-V1212 PolarHBondContact O-N 2.92Š| ||
| 1213 | H | 25.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 99.1 Ų | 99.1 | 72% | 0.718 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -112.8 | 136.9 | 161.5 | -79.9 | -75.3 | 0 | 0 | 0 | 106.2 | V1211 | V1211-H1213 HydrophobicContact CG1-CB 4.21Š|
| 1214 | D | 26.6 | Very low | 33.8 | Very low | 141 Ų | 141 | 96.7 Ų | 96.7 | 75% | 0.754 | 49% | 0.49 | S | S | * | . | trans | 54.6 | 55.4 | -174.7 | -61.6 | -6.8 | 0 | 0 | 0 | 115.3 | T1216 | D1214-T1216 VanDerWaalsContact C-N 3.3Š| ||
| 1215 | L | 30.2 | Very low | 34.5 | Very low | 141 Ų | 141 | 89.4 Ų | 89.4 | 74% | 0.738 | 46% | 0.458 | S | S | * | . | trans | -94.9 | 68.7 | 134 | -74.9 | 176.7 | 0 | 0 | 0 | 108.8 | ||||
| 1216 | T | 27.1 | Very low | 35.2 | Very low | 102 Ų | 102 | 92.3 Ų | 92.3 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | trans | -55.1 | 150.1 | 154.8 | 39 | 0 | 0 | 0 | 0 | 109 | D1214 E1218 | D1214-T1216 VanDerWaalsContact C-N 3.3Å; T1216-E1218 PolarHBondContact O-N 3.35Å | ||
| 1217 | E | 28.6 | Very low | 36 | Very low | 180 Ų | 180 | 92.3 Ų | 92.3 | 84% | 0.841 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -72.8 | 47.5 | -148.2 | -59.8 | -167.1 | 93.4 | 0 | 0 | 117.4 | ||
| 1218 | E | 28.5 | Very low | 36.9 | Very low | 63 Ų | 63 | 90.3 Ų | 90.3 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | trans | -122.6 | 116.9 | -169.8 | -57.7 | -162.6 | 171.5 | 0 | 0 | 112.3 | E607 R670 T1216 | E607-E1218 HydrophobicContact CG-CB 3.67Å; E607-E1218 VanDerWaalsContact CG-CD 3.48Å; E607-E1218 HydrophobicContact CG-CG 3.45Å; E607-E1218 VanDerWaalsContact CG-CG 3.45Å; E607-E1218 WeakPolarHBondContact OE2-CA 3.34Å; E607-E1218 WeakPolarHBondContact OE2-CB 3.4Å; R670-E1218 IonicContact CZ-OE2 3.72Å; R670-E1218 IonicContact NH1-OE2 2.75Å; R670-E1218 PolarHBondContact NH1-OE2 2.95Å; T1216-E1218 PolarHBondContact O-N 3.35Å | ||
| 1219 | R | 31.5 | Very low | 38 | Very low | 79 Ų | 79 | 87.9 Ų | 87.9 | 30% | 0.298 | 44% | 0.435 | S | S | . | . | trans | 74.7 | 79.2 | 165.1 | -47.7 | 170.2 | 130.7 | -166.4 | -10.6 | 120.4 | E607 P608 P609 | E607-R1219 WeakPolarHBondContact OE2-CG 3.38Å; E607-R1219 PolarHBondContact OE2-N 3.4Å; P608-R1219 VanDerWaalsContact C-NH2 3.32Å; P608-R1219 VanDerWaalsContact CB-NH2 3.31Å; P608-R1219 VanDerWaalsContact O-CZ 3.27Å; P608-R1219 PolarHBondContact O-NE 3.01Å; P608-R1219 PolarHBondContact O-NH2 2.7Å; P609-R1219 PolarHBondContact O-NH2 2.62Å | ||
| 1220 | L | 32.9 | Very low | 38.6 | Very low | 109 Ų | 109 | 83 Ų | 83 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | trans | -122.1 | 85.5 | 158.5 | -91.4 | 172 | 0 | 0 | 0 | 112.8 | ||||
| 1221 | H | 39 | Very low | 39.5 | Very low | 60 Ų | 60 | 80.5 Ų | 80.5 | 28% | 0.278 | 41% | 0.41 | S | S | . | . | trans | -85.5 | 146.1 | 170.2 | -85.4 | -87.2 | 0 | 0 | 0 | 112.1 | E590 P610 S1223 | E590-H1221 IonicContact OE1-CD2 2.72Å; E590-H1221 IonicContact OE1-CE1 2.68Å; E590-H1221 IonicContact OE1-NE2 3.47Å; E590-H1221 PolarHBondContact OE1-NE2 3.04Å; E590-H1221 IonicContact OE2-CD2 3.62Å; E590-H1221 IonicContact OE2-NE2 3.67Å; E590-H1221 PolarHBondContact OE2-NE2 3.21Å; P610-H1221 WeakPolarHBondContact CG-NE2 3.14Å; H1221-S1223 PolarHBondContact O-N 3.35Å | ||
| 1222 | S | 46.8 | Very low | 40.4 | Very low | 31 Ų | 31 | 83.6 Ų | 83.6 | 22% | 0.217 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 64.7 | -156.7 | 67.7 | 0 | 0 | 0 | 0 | 115.9 | S1313 | S1222-S1313 WeakPolarHBondContact CB-OG 3.25Å; S1222-S1313 VanDerWaalsContact OG-CB 3.23Å; S1222-S1313 WeakPolarHBondContact OG-CB 3.37Å; S1222-S1313 PolarHBondContact OG-OG 3.22Å |
| 1223 | S | 47.1 | Very low | 41.4 | Very low | 60 Ų | 60 | 78.3 Ų | 78.3 | 42% | 0.42 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.2 | -9.6 | 174.2 | 60.3 | 0 | 0 | 0 | 0 | 116 | H1221 T1276 N1277 | H1221-S1223 PolarHBondContact O-N 3.35Å; S1223-T1276 CarbonylContact O-C 3.46Å; S1223-T1276 VanDerWaalsContact O-C 3.32Å; S1223-T1276 VanDerWaalsContact O-CA 3.27Å; S1223-T1276 WeakPolarHBondContact O-CA 3.26Å; S1223-N1277 PolarHBondContact O-N 3.23Å |
| 1224 | F | 46.3 | Very low | 42.6 | Very low | 70 Ų | 70 | 74.7 Ų | 74.7 | 31% | 0.307 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.4 | -177.7 | 70.6 | -80.4 | 0 | 0 | 0 | 113.8 | Q1226 A1275 | F1224-Q1226 HydrophobicContact CD2-CG 4.14Å; F1224-Q1226 HydrophobicContact CE2-CG 4.47Å; F1224-A1275 CarbonylContact C-O 3.49Å; F1224-A1275 WeakPolarHBondContact CA-O 3.22Å; F1224-A1275 WeakPolarHBondContact CB-O 3.39Å |
| 1225 | V | 52 | Low | 44 | Very low | 21 Ų | 21 | 73.9 Ų | 73.9 | 13% | 0.127 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 133.2 | 172.3 | 165 | 0 | 0 | 0 | 0 | 107.9 | L1227 A1275 L1278 V1308 | V1225-L1227 HydrophobicContact CG1-CD2 4.49Å; V1225-A1275 HydrophobicContact CB-CB 4.27Å; V1225-A1275 PolarHBondContact N-O 3.41Å; V1225-A1275 PolarHBondContact O-N 3.26Å; V1225-L1278 HydrophobicContact CB-CD1 3.88Å; V1225-L1278 HydrophobicContact CG2-CD1 3.48Å; V1225-L1278 VanDerWaalsContact CG2-CD1 3.48Å; V1225-V1308 HydrophobicContact CG1-CG1 4.19Å; V1225-V1308 HydrophobicContact CG2-CG1 3.65Å |
| 1226 | Q | 52.7 | Low | 45.4 | Very low | 94 Ų | 94 | 70.3 Ų | 70.3 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.1 | 177.4 | -56.1 | -164.9 | -99.1 | 0 | 0 | 110.4 | F1224 W1272 L1273 N1274 | F1224-Q1226 HydrophobicContact CD2-CG 4.14Å; F1224-Q1226 HydrophobicContact CE2-CG 4.47Å; Q1226-W1272 HydrophobicContact CB-CE3 4.36Å; Q1226-L1273 CarbonylContact C-O 3.59Å; Q1226-L1273 WeakPolarHBondContact CA-O 3.31Å; Q1226-N1274 WeakPolarHBondContact CG-OD1 3.48Å; Q1226-N1274 PolarHBondContact NE2-OD1 2.79Å |
| 1227 | L | 51.8 | Low | 47.1 | Very low | 25 Ų | 25 | 65.5 Ų | 65.5 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.3 | 171.2 | -60.6 | 176.3 | 0 | 0 | 0 | 109.2 | V1225 W1229 W1272 L1273 | V1225-L1227 HydrophobicContact CG1-CD2 4.49Å; L1227-W1229 HydrophobicContact CB-CH2 4.05Å; L1227-W1229 HydrophobicContact CB-CZ2 3.82Å; L1227-W1229 HydrophobicContact CD1-CH2 4.11Å; L1227-W1229 HydrophobicContact CD1-CZ2 4.26Å; L1227-W1272 WeakPolarHBondContact O-CA 3.44Å; L1227-L1273 HydrophobicContact CB-CB 4.16Å; L1227-L1273 PolarHBondContact N-O 2.84Å; L1227-L1273 PolarHBondContact O-N 3.26Å |
| 1228 | R | 52.3 | Low | 48.8 | Very low | 94 Ų | 94 | 57.2 Ų | 57.2 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.2 | -177.8 | -176.8 | -175.5 | -175.2 | -159 | 4.4 | 110.1 | W1272 | R1228-W1272 HydrophobicContact CB-CE3 4.41Å; R1228-W1272 HydrophobicContact CB-CZ3 4.4Å |
| 1229 | W | 54.1 | Low | 50.5 | Low | 10 Ų | 10 | 54.6 Ų | 54.6 | 4% | 0.038 | 27% | 0.271 | C | S | . | . | trans | -110 | 152.9 | 177.9 | -41.1 | 107.5 | 0 | 0 | 0 | 111.1 | Y1210 L1227 F1239 V1241 I1261 L1271 L1273 V1288 | Y1210-W1229 HydrophobicContact CE1-CZ3 4.1Å; L1227-W1229 HydrophobicContact CB-CH2 4.05Å; L1227-W1229 HydrophobicContact CB-CZ2 3.82Å; L1227-W1229 HydrophobicContact CD1-CH2 4.11Å; L1227-W1229 HydrophobicContact CD1-CZ2 4.26Å; W1229-F1239 HydrophobicContact CD2-CD1 4.37Å; W1229-F1239 HydrophobicContact CE3-CD1 4.02Å; W1229-F1239 HydrophobicContact CE3-CE1 4.17Å; W1229-F1239 HydrophobicContact CZ3-CD1 4.45Å; W1229-V1241 HydrophobicContact CH2-CG2 4.14Å; W1229-V1241 HydrophobicContact CZ2-CG2 4.05Å; W1229-I1261 VanDerWaalsContact NE1-CD1 3.35Å; W1229-L1271 VanDerWaalsContact CD1-O 3.28Å; W1229-L1271 PolarHBondContact N-O 3.49Å; W1229-L1273 HydrophobicContact CZ2-CB 4.36Å; W1229-L1273 HydrophobicContact CZ2-CD2 4.3Å; W1229-V1288 HydrophobicContact CH2-CG1 3.5Å; W1229-V1288 HydrophobicContact CH2-CG2 4.39Å; W1229-V1288 HydrophobicContact CZ3-CG1 3.55Å | ||
| 1230 | L | 48.2 | Very low | 52.2 | Low | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | trans | -140.7 | 133.6 | 170.4 | -94.3 | 161.7 | 0 | 0 | 0 | 107.3 | R1209 V1211 | R1209-L1230 HydrophobicContact CB-CD1 4.33Å; V1211-L1230 HydrophobicContact CG2-CD1 4.01Å | ||
| 1231 | Y | 50.8 | Low | 53.7 | Low | 22 Ų | 22 | 48 Ų | 48 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | trans | -142.4 | 119.9 | -175.7 | -176.1 | -99 | 0 | 0 | 0 | 109.8 | I1206 R1235 A1237 F1239 L1264 | I1206-Y1231 HydrophobicContact CD1-CE2 3.66Å; I1206-Y1231 HydrophobicContact CG1-CD2 4.41Å; I1206-Y1231 HydrophobicContact CG1-CE2 3.83Å; I1206-Y1231 HydrophobicContact CG2-CD2 4.01Å; I1206-Y1231 HydrophobicContact CG2-CE2 3.87Å; Y1231-R1235 WeakPolarHBondContact CE1-O 3.42Å; Y1231-R1235 PolarHBondContact OH-O 2.78Å; Y1231-A1237 HydrophobicContact CD2-CB 4.5Å; Y1231-A1237 HydrophobicContact CE1-CB 4.35Å; Y1231-A1237 HydrophobicContact CE2-CB 3.71Å; Y1231-F1239 HydrophobicContact CD2-CE2 4.25Å; Y1231-F1239 HydrophobicContact CD2-CZ 4.41Å; Y1231-L1264 HydrophobicContact CD1-CB 4.18Å; Y1231-L1264 HydrophobicContact CG-CD1 4.49Å | ||
| 1232 | E | 46.8 | Very low | 55 | Low | 134 Ų | 134 | 51 Ų | 51 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | trans | -119.2 | 26.3 | -177.9 | -64.3 | 179.7 | 151.7 | 0 | 0 | 111 | A1205 | A1205-E1232 CarbonylContact O-C 3.58Å; A1205-E1232 VanDerWaalsContact O-C 3.26Å | ||
| 1233 | G | 51 | Low | 56 | Low | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -85.3 | 147.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1206 R1235 | I1206-G1233 VanDerWaalsContact CG1-CA 3.48Å; G1233-R1235 PolarHBondContact O-N 3.21Å; G1233-R1235 VanDerWaalsContact O-N 3.1Å | ||
| 1234 | P | 49.3 | Very low | 56.8 | Low | 80 Ų | 80 | 54.1 Ų | 54.1 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -79.5 | 13 | -173.4 | 33.1 | -38.1 | 0 | 0 | 0 | 115.4 | ||
| 1235 | R | 56.9 | Low | 57.3 | Low | 124 Ų | 124 | 52.4 Ų | 52.4 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -151.4 | 160.8 | 179.4 | -58.8 | -171.8 | -174.6 | 171.4 | 2.6 | 110.5 | Y1231 G1233 W1292 | Y1231-R1235 WeakPolarHBondContact CE1-O 3.42Å; Y1231-R1235 PolarHBondContact OH-O 2.78Å; G1233-R1235 PolarHBondContact O-N 3.21Å; G1233-R1235 VanDerWaalsContact O-N 3.1Å; R1235-W1292 HydrophobicContact CB-CE3 4.27Å; R1235-W1292 HydrophobicContact CB-CZ3 3.88Å; R1235-W1292 HydrophobicContact CG-CZ3 4.27Å |
| 1236 | P | 60.3 | Low | 57.3 | Low | 66 Ų | 66 | 61.7 Ų | 61.7 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | trans | -64.5 | 141.6 | 176.6 | -22.1 | 34 | 0 | 0 | 0 | 113.9 | L1264 | P1236-L1264 VanDerWaalsContact CA-O 3.31Å; P1236-L1264 WeakPolarHBondContact CA-O 3.16Å | ||
| 1237 | A | 61.5 | Low | 57.1 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 162.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1231 L1264 V1290 | Y1231-A1237 HydrophobicContact CD2-CB 4.5Å; Y1231-A1237 HydrophobicContact CE1-CB 4.35Å; Y1231-A1237 HydrophobicContact CE2-CB 3.71Å; A1237-L1264 PolarHBondContact N-O 2.88Å; A1237-L1264 PolarHBondContact O-N 2.96Å; A1237-L1264 VanDerWaalsContact O-N 3.09Å; A1237-V1290 HydrophobicContact CB-CG1 4.22Å |
| 1238 | S | 64.3 | Low | 56.8 | Low | 6 Ų | 6 | 74.3 Ų | 74.3 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 157.1 | 168.6 | -35.2 | 0 | 0 | 0 | 0 | 111 | I1261 D1262 V1290 I1291 | S1238-I1261 WeakPolarHBondContact CA-O 3.35Å; S1238-I1261 WeakPolarHBondContact CB-O 3.36Å; S1238-D1262 WeakPolarHBondContact CB-OD1 3.41Å; S1238-D1262 WeakPolarHBondContact OG-CA 3.09Å; S1238-D1262 PolarHBondContact OG-OD1 3.34Å; S1238-V1290 CarbonylContact O-C 3.52Å; S1238-V1290 WeakPolarHBondContact O-CA 3.42Å; S1238-V1290 WeakPolarHBondContact O-CG1 3.32Å; S1238-I1291 PolarHBondContact N-O 3.01Å; S1238-I1291 PolarHBondContact O-N 2.88Å |
| 1239 | F | 64.8 | Low | 56.8 | Low | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 155.1 | 171.1 | -75.1 | -110 | 0 | 0 | 0 | 110.6 | W1229 Y1231 S1260 I1261 L1264 G1289 V1290 | W1229-F1239 HydrophobicContact CD2-CD1 4.37Å; W1229-F1239 HydrophobicContact CE3-CD1 4.02Å; W1229-F1239 HydrophobicContact CE3-CE1 4.17Å; W1229-F1239 HydrophobicContact CZ3-CD1 4.45Å; Y1231-F1239 HydrophobicContact CD2-CE2 4.25Å; Y1231-F1239 HydrophobicContact CD2-CZ 4.41Å; F1239-S1260 CarbonylContact O-C 3.56Å; F1239-S1260 VanDerWaalsContact O-CA 3.31Å; F1239-S1260 WeakPolarHBondContact O-CA 3.05Å; F1239-I1261 HydrophobicContact CB-CB 4.27Å; F1239-I1261 HydrophobicContact CB-CD1 3.96Å; F1239-I1261 HydrophobicContact CB-CG1 4.16Å; F1239-I1261 PolarHBondContact O-N 3.32Å; F1239-L1264 HydrophobicContact CD2-CD1 3.55Å; F1239-L1264 HydrophobicContact CE2-CD1 3.41Å; F1239-L1264 VanDerWaalsContact CE2-CD1 3.41Å; F1239-G1289 CarbonylContact C-O 3.57Å; F1239-G1289 WeakPolarHBondContact CA-O 3.42Å; F1239-V1290 HydrophobicContact CD1-CG2 3.99Å; F1239-V1290 HydrophobicContact CE1-CG2 3.76Å; F1239-V1290 HydrophobicContact CZ-CG2 4.12Å |
| 1240 | Y | 66.8 | Low | 56.6 | Low | 47 Ų | 47 | 78.5 Ų | 78.5 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.6 | 173 | 70.6 | -91.7 | 0 | 0 | 0 | 112 | L1259 V1288 G1289 I1291 Y1300 Y1301 P1303 | Y1240-L1259 WeakPolarHBondContact CA-O 3.47Å; Y1240-V1288 CarbonylContact O-C 3.58Å; Y1240-V1288 WeakPolarHBondContact O-CA 3.36Å; Y1240-G1289 WeakPolarHBondContact CD1-O 3.45Å; Y1240-G1289 VanDerWaalsContact CE1-CA 3.46Å; Y1240-G1289 PolarHBondContact N-O 3Å; Y1240-G1289 PolarHBondContact O-N 2.79Å; Y1240-I1291 HydrophobicContact CD1-CD1 4.3Å; Y1240-I1291 HydrophobicContact CD1-CG1 3.74Å; Y1240-I1291 HydrophobicContact CE1-CG1 4.43Å; Y1240-Y1300 HydrophobicContact CE1-CD1 4.33Å; Y1240-Y1301 PolarHBondContact OH-O 2.79Å; Y1240-P1303 HydrophobicContact CE2-CB 4.22Å; Y1240-P1303 WeakPolarHBondContact OH-CD 3.31Å |
| 1241 | V | 65.3 | Low | 56.8 | Low | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.6 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | W1229 W1256 L1273 F1286 D1287 V1288 | W1229-V1241 HydrophobicContact CH2-CG2 4.14Å; W1229-V1241 HydrophobicContact CZ2-CG2 4.05Å; V1241-W1256 HydrophobicContact CG1-CE3 3.89Å; V1241-W1256 HydrophobicContact CG1-CZ3 4.08Å; V1241-L1273 HydrophobicContact CB-CD2 4.15Å; V1241-L1273 HydrophobicContact CG2-CD2 3.67Å; V1241-F1286 HydrophobicContact CG1-CD1 4.37Å; V1241-D1287 CarbonylContact C-O 3.55Å; V1241-D1287 WeakPolarHBondContact CA-O 3.49Å; V1241-V1288 HydrophobicContact CG1-CG2 4.15Å; V1241-V1288 HydrophobicContact CG2-CG1 4.25Å; V1241-V1288 HydrophobicContact CG2-CG2 4.06Å |
| 1242 | K | 66.6 | Low | 56.9 | Low | 123 Ų | 123 | 82.8 Ų | 82.8 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 116.6 | -172.3 | 176.9 | -174.2 | 179.5 | -174.3 | 0 | 111.9 | D1287 | K1242-D1287 HydrophobicContact CB-CB 4.36Å; K1242-D1287 PolarHBondContact N-O 2.84Å; K1242-D1287 PolarHBondContact O-N 3.35Å |
| 1243 | Y | 66.1 | Low | 57.3 | Low | 34 Ų | 34 | 77.1 Ų | 77.1 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 138.7 | 178.7 | 177.7 | -117.6 | 0 | 0 | 0 | 113.6 | G1245 I1253 Y1284 T1285 F1286 | Y1243-G1245 VanDerWaalsContact CZ-CA 3.48Å; Y1243-I1253 HydrophobicContact CD1-CB 4.12Å; Y1243-I1253 HydrophobicContact CD1-CD1 3.94Å; Y1243-I1253 HydrophobicContact CD1-CG2 4.04Å; Y1243-I1253 HydrophobicContact CD2-CD1 4Å; Y1243-I1253 HydrophobicContact CD2-CG2 4.42Å; Y1243-I1253 HydrophobicContact CE1-CD1 3.71Å; Y1243-I1253 HydrophobicContact CE2-CD1 3.81Å; Y1243-I1253 HydrophobicContact CG-CB 4.35Å; Y1243-I1253 HydrophobicContact CG-CD1 4.07Å; Y1243-I1253 HydrophobicContact CG-CG2 3.78Å; Y1243-Y1284 AromaticContact CE2-CD1 3.59Å; Y1243-Y1284 HydrophobicContact CE2-CD1 3.59Å; Y1243-Y1284 HydrophobicContact CE2-CG 4.3Å; Y1243-Y1284 AromaticContact CZ-CD1 3.74Å; Y1243-Y1284 WeakPolarHBondContact OH-CD1 3.22Å; Y1243-T1285 WeakPolarHBondContact CD2-O 3.32Å; Y1243-F1286 HydrophobicContact CD2-CD1 4.03Å; Y1243-F1286 AromaticContact CD2-CE1 3.83Å; Y1243-F1286 HydrophobicContact CD2-CE1 3.83Å; Y1243-F1286 HydrophobicContact CD2-CZ 4.21Å; Y1243-F1286 HydrophobicContact CG-CE1 4.48Å |
| 1244 | R | 64.1 | Low | 57 | Low | 122 Ų | 122 | 80.4 Ų | 80.4 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | trans | -120.6 | 31 | -168.9 | -155.5 | -173.7 | -169.7 | 157.1 | -3.8 | 114 | T1285 D1287 T1305 | R1244-T1285 HydrophobicContact CB-CG2 3.97Å; R1244-T1285 HydrophobicContact CG-CG2 4.5Å; R1244-T1285 PolarHBondContact N-O 3.25Å; R1244-D1287 WeakPolarHBondContact CD-OD1 3.42Å; R1244-D1287 WeakPolarHBondContact CD-OD2 3.29Å; R1244-D1287 IonicContact CZ-OD1 3.2Å; R1244-D1287 IonicContact CZ-OD2 3.29Å; R1244-D1287 IonicContact NE-OD1 3.72Å; R1244-D1287 IonicContact NE-OD2 2.74Å; R1244-D1287 IonicContact NH1-OD1 2.8Å; R1244-D1287 PolarHBondContact NH1-OD1 3.3Å; R1244-D1287 IonicContact NH1-OD2 2.78Å; R1244-D1287 PolarHBondContact NH1-OD2 3.41Å; R1244-T1305 PolarHBondContact NH1-OG1 2.9Å | ||
| 1245 | G | 56.7 | Low | 57 | Low | 34 Ų | 34 | 85 Ų | 85 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | trans | -109 | 177.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y1243 | Y1243-G1245 VanDerWaalsContact CZ-CA 3.48Š| ||
| 1246 | R | 52.5 | Low | 56.7 | Low | 215 Ų | 215 | 80.4 Ų | 80.4 | 81% | 0.811 | 37% | 0.368 | S | S | * | . | trans | -61.8 | 149.2 | -174.9 | -67.3 | -177.5 | 175.6 | -173.4 | -2.2 | 112.7 | R1248 Y1249 | R1246-R1248 PolarHBondContact O-N 3.34Å; R1246-Y1249 PolarHBondContact O-N 2.93Å; R1246-Y1249 VanDerWaalsContact O-N 3.1Å | ||
| 1247 | K | 48.1 | Very low | 55.8 | Low | 188 Ų | 188 | 83.4 Ų | 83.4 | 82% | 0.817 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -45.4 | -37.6 | -177.3 | -78.5 | -175.5 | 179.3 | 176.6 | 0 | 114.6 | Y1249 R1250 | K1247-Y1249 VanDerWaalsContact C-N 3.28Å; K1247-Y1249 PolarHBondContact O-N 3.28Å; K1247-R1250 VanDerWaalsContact O-CB 3.29Å; K1247-R1250 WeakPolarHBondContact O-CB 3.15Å; K1247-R1250 PolarHBondContact O-N 2.82Å |
| 1248 | R | 45.4 | Very low | 55.1 | Low | 196 Ų | 196 | 92.1 Ų | 92.1 | 74% | 0.74 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.8 | -31.8 | -176.2 | -159.7 | 176.5 | -168.6 | 176.6 | 3.3 | 113.7 | R1246 | R1246-R1248 PolarHBondContact O-N 3.34Å |
| 1249 | Y | 52.4 | Low | 54.2 | Low | 46 Ų | 46 | 94.9 Ų | 94.9 | 18% | 0.18 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -98.8 | -9.2 | 179.9 | -51.6 | -44.7 | 0 | 0 | 0 | 113.3 | R1246 K1247 A1251 Q1252 I1253 T1282 Y1284 | R1246-Y1249 PolarHBondContact O-N 2.93Å; R1246-Y1249 VanDerWaalsContact O-N 3.1Å; K1247-Y1249 VanDerWaalsContact C-N 3.28Å; K1247-Y1249 PolarHBondContact O-N 3.28Å; Y1249-A1251 PolarHBondContact O-N 3.32Å; Y1249-A1251 VanDerWaalsContact O-N 3.16Å; Y1249-Q1252 PolarHBondContact O-N 3.05Å; Y1249-I1253 PolarHBondContact O-N 3.5Å; Y1249-T1282 HydrophobicContact CD2-CG2 4.09Å; Y1249-T1282 HydrophobicContact CE2-CG2 3.56Å; Y1249-Y1284 HydrophobicContact CG-CE1 4.43Å |
| 1250 | R | 51.1 | Low | 53.5 | Low | 147 Ų | 147 | 96.2 Ų | 96.2 | 56% | 0.555 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.5 | -29.5 | -179.2 | -158 | 178.6 | -161.4 | -175.2 | 6.4 | 112.9 | K1247 N1254 | K1247-R1250 VanDerWaalsContact O-CB 3.29Å; K1247-R1250 WeakPolarHBondContact O-CB 3.15Å; K1247-R1250 PolarHBondContact O-N 2.82Å; R1250-N1254 VanDerWaalsContact O-CB 3.32Å; R1250-N1254 WeakPolarHBondContact O-CB 3.14Å; R1250-N1254 PolarHBondContact O-N 2.96Å; R1250-N1254 PolarHBondContact O-ND2 2.89Å; R1250-N1254 PolarHBondContact O-OD1 2.85Å |
| 1251 | A | 53 | Low | 52.8 | Low | 77 Ų | 77 | 95 Ų | 95 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -33.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1249 I1253 | Y1249-A1251 PolarHBondContact O-N 3.32Å; Y1249-A1251 VanDerWaalsContact O-N 3.16Å; A1251-I1253 VanDerWaalsContact C-N 3.34Å |
| 1252 | Q | 51.4 | Low | 52.2 | Low | 83 Ų | 83 | 99.1 Ų | 99.1 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -15.4 | -177.8 | -57.7 | -173.8 | -88.5 | 0 | 0 | 113.1 | Y1249 | Y1249-Q1252 PolarHBondContact O-N 3.05Š|
| 1253 | I | 55.4 | Low | 51.6 | Low | 15 Ų | 15 | 95.4 Ų | 95.4 | 8% | 0.077 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 17 | -174.6 | -59.1 | 161.9 | 0 | 0 | 0 | 110.7 | Y1243 Y1249 A1251 E1255 W1256 L1278 Y1284 | Y1243-I1253 HydrophobicContact CD1-CB 4.12Å; Y1243-I1253 HydrophobicContact CD1-CD1 3.94Å; Y1243-I1253 HydrophobicContact CD1-CG2 4.04Å; Y1243-I1253 HydrophobicContact CD2-CD1 4Å; Y1243-I1253 HydrophobicContact CD2-CG2 4.42Å; Y1243-I1253 HydrophobicContact CE1-CD1 3.71Å; Y1243-I1253 HydrophobicContact CE2-CD1 3.81Å; Y1243-I1253 HydrophobicContact CG-CB 4.35Å; Y1243-I1253 HydrophobicContact CG-CD1 4.07Å; Y1243-I1253 HydrophobicContact CG-CG2 3.78Å; Y1249-I1253 PolarHBondContact O-N 3.5Å; A1251-I1253 VanDerWaalsContact C-N 3.34Å; I1253-E1255 VanDerWaalsContact C-N 3.29Å; I1253-E1255 PolarHBondContact O-N 3.26Å; I1253-W1256 HydrophobicContact CG2-CB 4.01Å; I1253-W1256 HydrophobicContact CG2-CG 4.16Å; I1253-W1256 PolarHBondContact O-N 3.21Å; I1253-W1256 VanDerWaalsContact O-N 3.14Å; I1253-L1278 HydrophobicContact CD1-CD2 4Å; I1253-L1278 HydrophobicContact CG1-CD2 4.33Å; I1253-Y1284 HydrophobicContact CD1-CD1 3.52Å; I1253-Y1284 HydrophobicContact CD1-CE1 3.53Å |
| 1254 | N | 44.2 | Very low | 50.9 | Low | 74 Ų | 74 | 94.1 Ų | 94.1 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -15.5 | -165.5 | -121.9 | -18.2 | 0 | 0 | 0 | 115.1 | R1250 W1256 K1257 | R1250-N1254 VanDerWaalsContact O-CB 3.32Å; R1250-N1254 WeakPolarHBondContact O-CB 3.14Å; R1250-N1254 PolarHBondContact O-N 2.96Å; R1250-N1254 PolarHBondContact O-ND2 2.89Å; R1250-N1254 PolarHBondContact O-OD1 2.85Å; N1254-W1256 VanDerWaalsContact C-N 3.26Å; N1254-K1257 WeakPolarHBondContact OD1-CE 3.34Å; N1254-K1257 PolarHBondContact OD1-NZ 2.79Å |
| 1255 | E | 49.8 | Very low | 50.4 | Low | 175 Ų | 175 | 91.5 Ų | 91.5 | 82% | 0.818 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22.8 | 172.9 | -63.3 | 178.2 | 147.9 | 0 | 0 | 112.2 | I1253 K1257 | I1253-E1255 VanDerWaalsContact C-N 3.29Å; I1253-E1255 PolarHBondContact O-N 3.26Å; E1255-K1257 VanDerWaalsContact C-N 3.28Å; E1255-K1257 PolarHBondContact O-N 2.94Å |
| 1256 | W | 50.9 | Low | 50 | Low | 28 Ų | 28 | 95.3 Ų | 95.3 | 11% | 0.106 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 48.3 | -169.7 | -69.5 | 47.7 | 0 | 0 | 0 | 112.7 | V1241 I1253 N1254 L1259 L1273 A1275 F1286 | V1241-W1256 HydrophobicContact CG1-CE3 3.89Å; V1241-W1256 HydrophobicContact CG1-CZ3 4.08Å; I1253-W1256 HydrophobicContact CG2-CB 4.01Å; I1253-W1256 HydrophobicContact CG2-CG 4.16Å; I1253-W1256 PolarHBondContact O-N 3.21Å; I1253-W1256 VanDerWaalsContact O-N 3.14Å; N1254-W1256 VanDerWaalsContact C-N 3.26Å; W1256-L1259 HydrophobicContact CD2-CD1 4.17Å; W1256-L1259 HydrophobicContact CG-CD1 4.2Å; W1256-L1273 HydrophobicContact CE3-CD2 4.39Å; W1256-L1273 HydrophobicContact CH2-CB 4.02Å; W1256-L1273 HydrophobicContact CH2-CD2 3.94Å; W1256-L1273 HydrophobicContact CH2-CG 4.09Å; W1256-L1273 HydrophobicContact CZ3-CD2 3.8Å; W1256-L1273 HydrophobicContact CZ3-CG 4.46Å; W1256-A1275 HydrophobicContact CH2-CB 3.63Å; W1256-A1275 VanDerWaalsContact CZ2-CA 3.43Å; W1256-A1275 HydrophobicContact CZ2-CB 3.76Å; W1256-A1275 HydrophobicContact CZ3-CB 4.3Å; W1256-F1286 HydrophobicContact CE3-CE1 4.34Å; W1256-F1286 HydrophobicContact CZ3-CE1 4.49Å |
| 1257 | K | 42.6 | Very low | 49.9 | Very low | 129 Ų | 129 | 92.3 Ų | 92.3 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -28.9 | -176.2 | -91.7 | 173.2 | 175 | 155.4 | 0 | 115.5 | N1254 E1255 | N1254-K1257 WeakPolarHBondContact OD1-CE 3.34Å; N1254-K1257 PolarHBondContact OD1-NZ 2.79Å; E1255-K1257 VanDerWaalsContact C-N 3.28Å; E1255-K1257 PolarHBondContact O-N 2.94Å |
| 1258 | E | 45.6 | Very low | 49.7 | Very low | 184 Ų | 184 | 89.2 Ų | 89.2 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | trans | -154.6 | 47.3 | -177.5 | -136.6 | 160.3 | -118.5 | 0 | 0 | 110.9 | S1260 | E1258-S1260 PolarHBondContact O-N 3.05Š| ||
| 1259 | L | 46.5 | Very low | 49.8 | Very low | 64 Ų | 64 | 84 Ų | 84 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | trans | -70.8 | 76 | 173.6 | -94.1 | 166.6 | 0 | 0 | 0 | 110.3 | Y1240 W1256 I1261 L1273 | Y1240-L1259 WeakPolarHBondContact CA-O 3.47Å; W1256-L1259 HydrophobicContact CD2-CD1 4.17Å; W1256-L1259 HydrophobicContact CG-CD1 4.2Å; L1259-I1261 PolarHBondContact O-N 3.22Å; L1259-L1273 HydrophobicContact CD1-CD2 4.23Å | ||
| 1260 | S | 48.8 | Very low | 49.7 | Very low | 37 Ų | 37 | 86.9 Ų | 86.9 | 26% | 0.259 | 46% | 0.458 | S | S | . | . | trans | -72.8 | 106 | 166.7 | -155.4 | 0 | 0 | 0 | 0 | 108.3 | F1239 E1258 D1262 | F1239-S1260 CarbonylContact O-C 3.56Å; F1239-S1260 VanDerWaalsContact O-CA 3.31Å; F1239-S1260 WeakPolarHBondContact O-CA 3.05Å; E1258-S1260 PolarHBondContact O-N 3.05Å; S1260-D1262 WeakPolarHBondContact CB-OD1 3.42Å; S1260-D1262 PolarHBondContact O-N 3.19Å; S1260-D1262 PolarHBondContact OG-OD1 3.4Å | ||
| 1261 | I | 52.2 | Low | 49.7 | Very low | 20 Ų | 20 | 83.4 Ų | 83.4 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | trans | -77 | 71.2 | 173.3 | -45.8 | -177.6 | 0 | 0 | 0 | 107.7 | W1229 S1238 F1239 L1259 G1263 L1271 L1273 | W1229-I1261 VanDerWaalsContact NE1-CD1 3.35Å; S1238-I1261 WeakPolarHBondContact CA-O 3.35Å; S1238-I1261 WeakPolarHBondContact CB-O 3.36Å; F1239-I1261 HydrophobicContact CB-CB 4.27Å; F1239-I1261 HydrophobicContact CB-CD1 3.96Å; F1239-I1261 HydrophobicContact CB-CG1 4.16Å; F1239-I1261 PolarHBondContact O-N 3.32Å; L1259-I1261 PolarHBondContact O-N 3.22Å; I1261-G1263 PolarHBondContact O-N 2.98Å; I1261-L1271 HydrophobicContact CG2-CD1 3.85Å; I1261-L1271 HydrophobicContact CG2-CD2 4.29Å; I1261-L1271 HydrophobicContact CG2-CG 4.46Å; I1261-L1273 HydrophobicContact CD1-CD1 3.51Å; I1261-L1273 HydrophobicContact CG1-CD1 4.22Å | ||
| 1262 | D | 53.3 | Low | 49.5 | Very low | 91 Ų | 91 | 85.9 Ų | 85.9 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 124.7 | -174.4 | -78.9 | -8.2 | 0 | 0 | 0 | 111.6 | S1238 S1260 R1298 | S1238-D1262 WeakPolarHBondContact CB-OD1 3.41Å; S1238-D1262 WeakPolarHBondContact OG-CA 3.09Å; S1238-D1262 PolarHBondContact OG-OD1 3.34Å; S1260-D1262 WeakPolarHBondContact CB-OD1 3.42Å; S1260-D1262 PolarHBondContact O-N 3.19Å; S1260-D1262 PolarHBondContact OG-OD1 3.4Å; D1262-R1298 IonicContact OD2-NH2 2.76Å; D1262-R1298 PolarHBondContact OD2-NH2 3.15Å |
| 1263 | G | 53.1 | Low | 49.5 | Very low | 44 Ų | 44 | 82.8 Ų | 82.8 | 45% | 0.454 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.3 | 29.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | I1261 T1265 | I1261-G1263 PolarHBondContact O-N 2.98Å; G1263-T1265 PolarHBondContact O-N 2.85Å |
| 1264 | L | 51.7 | Low | 49.3 | Very low | 7 Ų | 7 | 86.3 Ų | 86.3 | 4% | 0.037 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 108.3 | 168.8 | -78.6 | 163.8 | 0 | 0 | 0 | 110.3 | Y1231 P1236 A1237 F1239 D1269 L1271 | Y1231-L1264 HydrophobicContact CD1-CB 4.18Å; Y1231-L1264 HydrophobicContact CG-CD1 4.49Å; P1236-L1264 VanDerWaalsContact CA-O 3.31Å; P1236-L1264 WeakPolarHBondContact CA-O 3.16Å; A1237-L1264 PolarHBondContact N-O 2.88Å; A1237-L1264 PolarHBondContact O-N 2.96Å; A1237-L1264 VanDerWaalsContact O-N 3.09Å; F1239-L1264 HydrophobicContact CD2-CD1 3.55Å; F1239-L1264 HydrophobicContact CE2-CD1 3.41Å; F1239-L1264 VanDerWaalsContact CE2-CD1 3.41Å; L1264-D1269 HydrophobicContact CD2-CB 3.89Å; L1264-L1271 HydrophobicContact CD2-CD1 3.78Å; L1264-L1271 HydrophobicContact CG-CD1 4.3Å |
| 1265 | T | 54.1 | Low | 49.7 | Very low | 68 Ų | 68 | 83 Ų | 83 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | trans | -95 | -175.8 | 177.9 | 38.1 | 0 | 0 | 0 | 0 | 112.4 | G1263 E1267 | G1263-T1265 PolarHBondContact O-N 2.85Å; T1265-E1267 PolarHBondContact O-N 3.45Å | ||
| 1266 | T | 48.3 | Very low | 49.9 | Very low | 114 Ų | 114 | 78.6 Ų | 78.6 | 70% | 0.699 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -77 | 28.7 | -174.5 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1267 | E | 50.2 | Low | 50.1 | Low | 152 Ų | 152 | 82.8 Ų | 82.8 | 71% | 0.71 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -129.6 | 154.5 | 176.2 | -64.7 | -173.5 | 165.6 | 0 | 0 | 108.4 | T1265 D1269 | T1265-E1267 PolarHBondContact O-N 3.45Å; E1267-D1269 VanDerWaalsContact C-N 3.28Å; E1267-D1269 PolarHBondContact O-N 2.85Å |
| 1268 | T | 44.8 | Very low | 50.9 | Low | 123 Ų | 123 | 76.9 Ų | 76.9 | 76% | 0.755 | 42% | 0.415 | S | S | * | . | trans | -82.5 | 57.7 | -159.2 | 42.7 | 0 | 0 | 0 | 0 | 115.1 | Q1270 | T1268-Q1270 PolarHBondContact O-N 2.72Å; T1268-Q1270 VanDerWaalsContact O-N 3.15Å | ||
| 1269 | D | 46.5 | Very low | 51.3 | Low | 87 Ų | 87 | 73.4 Ų | 73.4 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | trans | -64.2 | 107.1 | 180 | -81.5 | -43.4 | 0 | 0 | 0 | 113.6 | L1264 E1267 L1271 | L1264-D1269 HydrophobicContact CD2-CB 3.89Å; E1267-D1269 VanDerWaalsContact C-N 3.28Å; E1267-D1269 PolarHBondContact O-N 2.85Å; D1269-L1271 HydrophobicContact CB-CD1 4.4Å; D1269-L1271 PolarHBondContact O-N 2.6Å | ||
| 1270 | Q | 49.9 | Very low | 51.6 | Low | 106 Ų | 106 | 72.4 Ų | 72.4 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | trans | -86.1 | 84.6 | 177.5 | -62.5 | -166.2 | 34.9 | 0 | 0 | 111.9 | T1268 W1272 | T1268-Q1270 PolarHBondContact O-N 2.72Å; T1268-Q1270 VanDerWaalsContact O-N 3.15Å; Q1270-W1272 PolarHBondContact O-NE1 2.92Å | ||
| 1271 | L | 51.6 | Low | 51.8 | Low | 74 Ų | 74 | 77 Ų | 77 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | trans | -83.3 | 138.7 | 175.3 | -81.4 | 142.8 | 0 | 0 | 0 | 112.6 | W1229 I1261 L1264 D1269 | W1229-L1271 VanDerWaalsContact CD1-O 3.28Å; W1229-L1271 PolarHBondContact N-O 3.49Å; I1261-L1271 HydrophobicContact CG2-CD1 3.85Å; I1261-L1271 HydrophobicContact CG2-CD2 4.29Å; I1261-L1271 HydrophobicContact CG2-CG 4.46Å; L1264-L1271 HydrophobicContact CD2-CD1 3.78Å; L1264-L1271 HydrophobicContact CG-CD1 4.3Å; D1269-L1271 HydrophobicContact CB-CD1 4.4Å; D1269-L1271 PolarHBondContact O-N 2.6Å | ||
| 1272 | W | 49.1 | Very low | 51.9 | Low | 129 Ų | 129 | 76.8 Ų | 76.8 | 49% | 0.489 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.9 | -178.2 | -60 | 79.9 | 0 | 0 | 0 | 110.4 | Q1226 L1227 R1228 Q1270 | Q1226-W1272 HydrophobicContact CB-CE3 4.36Å; L1227-W1272 WeakPolarHBondContact O-CA 3.44Å; R1228-W1272 HydrophobicContact CB-CE3 4.41Å; R1228-W1272 HydrophobicContact CB-CZ3 4.4Å; Q1270-W1272 PolarHBondContact O-NE1 2.92Å |
| 1273 | L | 51.2 | Low | 52.3 | Low | 18 Ų | 18 | 77.5 Ų | 77.5 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.1 | 167.9 | -112.6 | 70.8 | 0 | 0 | 0 | 110.2 | Q1226 L1227 W1229 V1241 W1256 L1259 I1261 | Q1226-L1273 CarbonylContact C-O 3.59Å; Q1226-L1273 WeakPolarHBondContact CA-O 3.31Å; L1227-L1273 HydrophobicContact CB-CB 4.16Å; L1227-L1273 PolarHBondContact N-O 2.84Å; L1227-L1273 PolarHBondContact O-N 3.26Å; W1229-L1273 HydrophobicContact CZ2-CB 4.36Å; W1229-L1273 HydrophobicContact CZ2-CD2 4.3Å; V1241-L1273 HydrophobicContact CB-CD2 4.15Å; V1241-L1273 HydrophobicContact CG2-CD2 3.67Å; W1256-L1273 HydrophobicContact CE3-CD2 4.39Å; W1256-L1273 HydrophobicContact CH2-CB 4.02Å; W1256-L1273 HydrophobicContact CH2-CD2 3.94Å; W1256-L1273 HydrophobicContact CH2-CG 4.09Å; W1256-L1273 HydrophobicContact CZ3-CD2 3.8Å; W1256-L1273 HydrophobicContact CZ3-CG 4.46Å; L1259-L1273 HydrophobicContact CD1-CD2 4.23Å; I1261-L1273 HydrophobicContact CD1-CD1 3.51Å; I1261-L1273 HydrophobicContact CG1-CD1 4.22Å |
| 1274 | N | 50.3 | Low | 52.9 | Low | 88 Ų | 88 | 75.4 Ų | 75.4 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 97.2 | -178.9 | -64.3 | -23.8 | 0 | 0 | 0 | 110.6 | Q1226 | Q1226-N1274 WeakPolarHBondContact CG-OD1 3.48Å; Q1226-N1274 PolarHBondContact NE2-OD1 2.79Å |
| 1275 | A | 53.1 | Low | 53.5 | Low | 6 Ų | 6 | 76.6 Ų | 76.6 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 138.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | F1224 V1225 W1256 L1278 | F1224-A1275 CarbonylContact C-O 3.49Å; F1224-A1275 WeakPolarHBondContact CA-O 3.22Å; F1224-A1275 WeakPolarHBondContact CB-O 3.39Å; V1225-A1275 HydrophobicContact CB-CB 4.27Å; V1225-A1275 PolarHBondContact N-O 3.41Å; V1225-A1275 PolarHBondContact O-N 3.26Å; W1256-A1275 HydrophobicContact CH2-CB 3.63Å; W1256-A1275 VanDerWaalsContact CZ2-CA 3.43Å; W1256-A1275 HydrophobicContact CZ2-CB 3.76Å; W1256-A1275 HydrophobicContact CZ3-CB 4.3Å; A1275-L1278 HydrophobicContact CB-CD1 4.12Å |
| 1276 | T | 53.4 | Low | 54.2 | Low | 82 Ų | 82 | 73.6 Ų | 73.6 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 168.3 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 111 | S1223 L1278 | S1223-T1276 CarbonylContact O-C 3.46Å; S1223-T1276 VanDerWaalsContact O-C 3.32Å; S1223-T1276 VanDerWaalsContact O-CA 3.27Å; S1223-T1276 WeakPolarHBondContact O-CA 3.26Å; T1276-L1278 PolarHBondContact O-N 3.15Å |
| 1277 | N | 55.1 | Low | 55 | Low | 115 Ų | 115 | 68.7 Ų | 68.7 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | trans | 59.4 | 26.9 | 177.9 | -57.4 | -39.1 | 0 | 0 | 0 | 115.4 | S1223 | S1223-N1277 PolarHBondContact O-N 3.23Š| ||
| 1278 | L | 59.8 | Low | 55.8 | Low | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 128.1 | 171.5 | -57.7 | 178.8 | 0 | 0 | 0 | 109.8 | V1225 I1253 A1275 T1276 Y1284 T1310 | V1225-L1278 HydrophobicContact CB-CD1 3.88Å; V1225-L1278 HydrophobicContact CG2-CD1 3.48Å; V1225-L1278 VanDerWaalsContact CG2-CD1 3.48Å; I1253-L1278 HydrophobicContact CD1-CD2 4Å; I1253-L1278 HydrophobicContact CG1-CD2 4.33Å; A1275-L1278 HydrophobicContact CB-CD1 4.12Å; T1276-L1278 PolarHBondContact O-N 3.15Å; L1278-Y1284 HydrophobicContact CB-CD2 4.37Å; L1278-Y1284 HydrophobicContact CB-CE2 3.81Å; L1278-Y1284 HydrophobicContact CD2-CD1 3.87Å; L1278-Y1284 HydrophobicContact CD2-CD2 4.19Å; L1278-Y1284 HydrophobicContact CD2-CE1 3.78Å; L1278-Y1284 HydrophobicContact CD2-CE2 4.06Å; L1278-Y1284 HydrophobicContact CD2-CG 4.1Å; L1278-Y1284 HydrophobicContact CG-CE2 4.41Å; L1278-T1310 HydrophobicContact CB-CG2 4.04Å |
| 1279 | R | 55.3 | Low | 56.8 | Low | 112 Ų | 112 | 56 Ų | 56 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 145 | 177.6 | -70.2 | -178.9 | 171.5 | -130.1 | -11.5 | 110.6 | T1282 Y1284 T1310 | R1279-T1282 WeakPolarHBondContact CB-OG1 3.27Å; R1279-Y1284 PolarHBondContact N-OH 2.89Å; R1279-T1310 VanDerWaalsContact O-CB 3.31Å; R1279-T1310 WeakPolarHBondContact O-CB 3.49Å; R1279-T1310 WeakPolarHBondContact O-CG2 3.44Å; R1279-T1310 PolarHBondContact O-OG1 3.34Å |
| 1280 | P | 51.4 | Low | 57.8 | Low | 43 Ų | 43 | 53.2 Ų | 53.2 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 163.7 | 162.8 | 23.6 | -31 | 0 | 0 | 0 | 112.6 | T1282 T1310 S1313 | P1280-T1282 PolarHBondContact O-N 3.45Å; P1280-T1282 VanDerWaalsContact O-N 3.1Å; P1280-T1282 PolarHBondContact O-OG1 2.78Å; P1280-T1310 VanDerWaalsContact C-OG1 3.28Å; P1280-T1310 WeakPolarHBondContact CA-OG1 3.14Å; P1280-S1313 WeakPolarHBondContact CB-OG 3.47Å |
| 1281 | Y | 53.7 | Low | 58.6 | Low | 132 Ų | 132 | 48.4 Ų | 48.4 | 52% | 0.518 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 27.7 | 177.9 | -50 | -89.9 | 0 | 0 | 0 | 114.4 | T1310 K1312 S1313 | Y1281-T1310 PolarHBondContact N-O 3.3Å; Y1281-T1310 PolarHBondContact N-OG1 2.77Å; Y1281-K1312 HydrophobicContact CE1-CB 4.14Å; Y1281-K1312 HydrophobicContact CE1-CG 3.78Å; Y1281-K1312 WeakPolarHBondContact OH-CG 3.42Å; Y1281-S1313 PolarHBondContact OH-O 3.46Å |
| 1282 | T | 55 | Low | 59.3 | Low | 17 Ų | 17 | 46.6 Ų | 46.6 | 10% | 0.104 | 23% | 0.229 | C | C | . | . | trans | -131 | 129.6 | -171.1 | -57.2 | 0 | 0 | 0 | 0 | 111 | Y1249 R1279 P1280 Y1284 T1310 | Y1249-T1282 HydrophobicContact CD2-CG2 4.09Å; Y1249-T1282 HydrophobicContact CE2-CG2 3.56Å; R1279-T1282 WeakPolarHBondContact CB-OG1 3.27Å; P1280-T1282 PolarHBondContact O-N 3.45Å; P1280-T1282 VanDerWaalsContact O-N 3.1Å; P1280-T1282 PolarHBondContact O-OG1 2.78Å; T1282-Y1284 HydrophobicContact CG2-CD2 4.17Å; T1282-Y1284 HydrophobicContact CG2-CE1 4.17Å; T1282-Y1284 HydrophobicContact CG2-CE2 3.52Å; T1282-Y1284 VanDerWaalsContact O-CD2 3.23Å; T1282-Y1284 WeakPolarHBondContact O-CD2 3.46Å; T1282-Y1284 WeakPolarHBondContact O-CE2 3.44Å; T1282-T1310 PolarHBondContact N-OG1 3.1Å; T1282-T1310 PolarHBondContact O-N 3.24Å; T1282-T1310 VanDerWaalsContact O-N 3.14Å; T1282-T1310 PolarHBondContact O-OG1 2.9Å | ||
| 1283 | N | 60.4 | Low | 59.7 | Low | 105 Ų | 105 | 43.3 Ų | 43.3 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 134.4 | 177.4 | -62.1 | 11 | 0 | 0 | 0 | 110.7 | T1309 | N1283-T1309 WeakPolarHBondContact OD1-CG2 3.1Å; N1283-T1309 PolarHBondContact OD1-OG1 3.41Å |
| 1284 | Y | 66 | Low | 59.8 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112 | -177.8 | -67.1 | -86.5 | 0 | 0 | 0 | 110.9 | Y1243 Y1249 I1253 L1278 R1279 T1282 F1286 V1308 T1310 | Y1243-Y1284 AromaticContact CE2-CD1 3.59Å; Y1243-Y1284 HydrophobicContact CE2-CD1 3.59Å; Y1243-Y1284 HydrophobicContact CE2-CG 4.3Å; Y1243-Y1284 AromaticContact CZ-CD1 3.74Å; Y1243-Y1284 WeakPolarHBondContact OH-CD1 3.22Å; Y1249-Y1284 HydrophobicContact CG-CE1 4.43Å; I1253-Y1284 HydrophobicContact CD1-CD1 3.52Å; I1253-Y1284 HydrophobicContact CD1-CE1 3.53Å; L1278-Y1284 HydrophobicContact CB-CD2 4.37Å; L1278-Y1284 HydrophobicContact CB-CE2 3.81Å; L1278-Y1284 HydrophobicContact CD2-CD1 3.87Å; L1278-Y1284 HydrophobicContact CD2-CD2 4.19Å; L1278-Y1284 HydrophobicContact CD2-CE1 3.78Å; L1278-Y1284 HydrophobicContact CD2-CE2 4.06Å; L1278-Y1284 HydrophobicContact CD2-CG 4.1Å; L1278-Y1284 HydrophobicContact CG-CE2 4.41Å; R1279-Y1284 PolarHBondContact N-OH 2.89Å; T1282-Y1284 HydrophobicContact CG2-CD2 4.17Å; T1282-Y1284 HydrophobicContact CG2-CE1 4.17Å; T1282-Y1284 HydrophobicContact CG2-CE2 3.52Å; T1282-Y1284 VanDerWaalsContact O-CD2 3.23Å; T1282-Y1284 WeakPolarHBondContact O-CD2 3.46Å; T1282-Y1284 WeakPolarHBondContact O-CE2 3.44Å; Y1284-F1286 WeakPolarHBondContact O-CD2 3.35Å; Y1284-F1286 WeakPolarHBondContact O-CE2 3.45Å; Y1284-V1308 PolarHBondContact N-O 2.66Å; Y1284-V1308 PolarHBondContact O-N 3.16Å; Y1284-T1310 HydrophobicContact CD2-CG2 4.05Å; Y1284-T1310 HydrophobicContact CE2-CG2 3.95Å |
| 1285 | T | 65.3 | Low | 60.4 | Low | 33 Ų | 33 | 47.9 Ų | 47.9 | 20% | 0.202 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135 | 177.8 | -46.1 | 0 | 0 | 0 | 0 | 111.2 | Y1243 R1244 T1305 I1306 D1307 | Y1243-T1285 WeakPolarHBondContact CD2-O 3.32Å; R1244-T1285 HydrophobicContact CB-CG2 3.97Å; R1244-T1285 HydrophobicContact CG-CG2 4.5Å; R1244-T1285 PolarHBondContact N-O 3.25Å; T1285-T1305 HydrophobicContact CG2-CG2 3.37Å; T1285-I1306 CarbonylContact C-O 3.58Å; T1285-I1306 WeakPolarHBondContact CA-O 3.48Å; T1285-D1307 WeakPolarHBondContact CB-OD1 3.27Å; T1285-D1307 VanDerWaalsContact CG2-OD1 3.25Å; T1285-D1307 WeakPolarHBondContact CG2-OD1 3.47Å; T1285-D1307 PolarHBondContact OG1-OD1 3.29Å |
| 1286 | F | 68.3 | Low | 60.6 | Low | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.4 | 179.5 | -56.8 | -94.6 | 0 | 0 | 0 | 111.3 | V1241 Y1243 W1256 Y1284 T1305 I1306 V1308 | V1241-F1286 HydrophobicContact CG1-CD1 4.37Å; Y1243-F1286 HydrophobicContact CD2-CD1 4.03Å; Y1243-F1286 AromaticContact CD2-CE1 3.83Å; Y1243-F1286 HydrophobicContact CD2-CE1 3.83Å; Y1243-F1286 HydrophobicContact CD2-CZ 4.21Å; Y1243-F1286 HydrophobicContact CG-CE1 4.48Å; W1256-F1286 HydrophobicContact CE3-CE1 4.34Å; W1256-F1286 HydrophobicContact CZ3-CE1 4.49Å; Y1284-F1286 WeakPolarHBondContact O-CD2 3.35Å; Y1284-F1286 WeakPolarHBondContact O-CE2 3.45Å; F1286-T1305 CarbonylContact O-C 3.58Å; F1286-T1305 VanDerWaalsContact O-CA 3.32Å; F1286-T1305 WeakPolarHBondContact O-CA 3.41Å; F1286-I1306 PolarHBondContact N-O 2.91Å; F1286-I1306 PolarHBondContact O-N 3.39Å; F1286-V1308 HydrophobicContact CD2-CG2 4.01Å; F1286-V1308 HydrophobicContact CE2-CB 4.23Å; F1286-V1308 HydrophobicContact CE2-CG2 3.96Å |
| 1287 | D | 65.2 | Low | 60.3 | Low | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.6 | 169.9 | -62.9 | -36.4 | 0 | 0 | 0 | 109.6 | V1241 K1242 R1244 P1303 Q1304 T1305 | V1241-D1287 CarbonylContact C-O 3.55Å; V1241-D1287 WeakPolarHBondContact CA-O 3.49Å; K1242-D1287 HydrophobicContact CB-CB 4.36Å; K1242-D1287 PolarHBondContact N-O 2.84Å; K1242-D1287 PolarHBondContact O-N 3.35Å; R1244-D1287 WeakPolarHBondContact CD-OD1 3.42Å; R1244-D1287 WeakPolarHBondContact CD-OD2 3.29Å; R1244-D1287 IonicContact CZ-OD1 3.2Å; R1244-D1287 IonicContact CZ-OD2 3.29Å; R1244-D1287 IonicContact NE-OD1 3.72Å; R1244-D1287 IonicContact NE-OD2 2.74Å; R1244-D1287 IonicContact NH1-OD1 2.8Å; R1244-D1287 PolarHBondContact NH1-OD1 3.3Å; R1244-D1287 IonicContact NH1-OD2 2.78Å; R1244-D1287 PolarHBondContact NH1-OD2 3.41Å; D1287-P1303 HydrophobicContact CB-CB 4.02Å; D1287-P1303 HydrophobicContact CB-CG 4.19Å; D1287-Q1304 CarbonylContact C-O 3.57Å; D1287-Q1304 WeakPolarHBondContact CA-O 3.3Å; D1287-T1305 PolarHBondContact OD1-OG1 3.08Å |
| 1288 | V | 66.5 | Low | 60.7 | Low | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 119.7 | -171.1 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | W1229 Y1240 V1241 P1303 Q1304 I1306 | W1229-V1288 HydrophobicContact CH2-CG1 3.5Å; W1229-V1288 HydrophobicContact CH2-CG2 4.39Å; W1229-V1288 HydrophobicContact CZ3-CG1 3.55Å; Y1240-V1288 CarbonylContact O-C 3.58Å; Y1240-V1288 WeakPolarHBondContact O-CA 3.36Å; V1241-V1288 HydrophobicContact CG1-CG2 4.15Å; V1241-V1288 HydrophobicContact CG2-CG1 4.25Å; V1241-V1288 HydrophobicContact CG2-CG2 4.06Å; V1288-P1303 VanDerWaalsContact C-CB 3.48Å; V1288-P1303 CarbonylContact O-C 3.59Å; V1288-P1303 WeakPolarHBondContact O-CA 3.42Å; V1288-P1303 WeakPolarHBondContact O-CB 3.25Å; V1288-Q1304 PolarHBondContact N-O 2.73Å; V1288-Q1304 PolarHBondContact O-N 2.84Å; V1288-I1306 HydrophobicContact CB-CD1 4.39Å; V1288-I1306 HydrophobicContact CG2-CD1 3.81Å; V1288-I1306 HydrophobicContact CG2-CG1 4.36Å |
| 1289 | G | 65.7 | Low | 60.5 | Low | 4 Ų | 4 | 64.2 Ų | 64.2 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | -175.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1239 Y1240 | F1239-G1289 CarbonylContact C-O 3.57Å; F1239-G1289 WeakPolarHBondContact CA-O 3.42Å; Y1240-G1289 WeakPolarHBondContact CD1-O 3.45Å; Y1240-G1289 VanDerWaalsContact CE1-CA 3.46Å; Y1240-G1289 PolarHBondContact N-O 3Å; Y1240-G1289 PolarHBondContact O-N 2.79Å |
| 1290 | V | 67.6 | Low | 60.7 | Low | 29 Ų | 29 | 65.8 Ų | 65.8 | 18% | 0.176 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147 | -173 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | A1237 S1238 F1239 Y1301 | A1237-V1290 HydrophobicContact CB-CG1 4.22Å; S1238-V1290 CarbonylContact O-C 3.52Å; S1238-V1290 WeakPolarHBondContact O-CA 3.42Å; S1238-V1290 WeakPolarHBondContact O-CG1 3.32Å; F1239-V1290 HydrophobicContact CD1-CG2 3.99Å; F1239-V1290 HydrophobicContact CE1-CG2 3.76Å; F1239-V1290 HydrophobicContact CZ-CG2 4.12Å; V1290-Y1301 PolarHBondContact O-N 2.87Å |
| 1291 | I | 66.7 | Low | 60.9 | Low | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132 | 172.5 | -40.6 | 179.6 | 0 | 0 | 0 | 108.2 | S1238 Y1240 R1298 R1299 Y1300 | S1238-I1291 PolarHBondContact N-O 3.01Å; S1238-I1291 PolarHBondContact O-N 2.88Å; Y1240-I1291 HydrophobicContact CD1-CD1 4.3Å; Y1240-I1291 HydrophobicContact CD1-CG1 3.74Å; Y1240-I1291 HydrophobicContact CE1-CG1 4.43Å; I1291-R1298 HydrophobicContact CG2-CB 3.96Å; I1291-R1298 HydrophobicContact CG2-CG 4.21Å; I1291-R1299 CarbonylContact C-O 3.51Å; I1291-R1299 WeakPolarHBondContact CA-O 3.45Å; I1291-Y1300 HydrophobicContact CD1-CD1 4.03Å; I1291-Y1300 HydrophobicContact CD1-CE1 3.61Å; I1291-Y1300 HydrophobicContact CG1-CD1 3.82Å; I1291-Y1300 HydrophobicContact CG1-CE1 3.92Å; I1291-Y1300 HydrophobicContact CG2-CD1 4.26Å; I1291-Y1300 HydrophobicContact CG2-CE1 4.19Å |
| 1292 | W | 65.4 | Low | 60.4 | Low | 35 Ų | 35 | 68.1 Ų | 68.1 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.4 | 168.8 | -69.7 | 59.1 | 0 | 0 | 0 | 109.5 | I1206 R1235 R1298 R1299 Y1301 | I1206-W1292 HydrophobicContact CD1-CH2 3.43Å; I1206-W1292 VanDerWaalsContact CD1-CH2 3.43Å; I1206-W1292 HydrophobicContact CD1-CZ2 3.2Å; R1235-W1292 HydrophobicContact CB-CE3 4.27Å; R1235-W1292 HydrophobicContact CB-CZ3 3.88Å; R1235-W1292 HydrophobicContact CG-CZ3 4.27Å; W1292-R1298 CarbonylContact O-C 3.55Å; W1292-R1298 WeakPolarHBondContact O-CA 3.5Å; W1292-R1299 PolarHBondContact N-O 2.95Å; W1292-R1299 PolarHBondContact O-N 3.02Å; W1292-Y1301 HydrophobicContact CB-CE2 4.2Å; W1292-Y1301 AromaticContact CD1-CD2 3.51Å; W1292-Y1301 AromaticContact CD1-CE2 3.2Å; W1292-Y1301 HydrophobicContact CG-CD2 4.47Å; W1292-Y1301 AromaticContact CG-CE2 3.8Å; W1292-Y1301 HydrophobicContact CG-CE2 3.8Å; W1292-Y1301 AromaticContact NE1-CD2 3.94Å; W1292-Y1301 AromaticContact NE1-CE2 3.67Å |
| 1293 | S | 57.8 | Low | 60.7 | Low | 61 Ų | 61 | 69.6 Ų | 69.6 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121 | 173.2 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1294 | N | 53.9 | Low | 60.4 | Low | 132 Ų | 132 | 69.5 Ų | 69.5 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 89.9 | 163.6 | -168.2 | 14.2 | 0 | 0 | 0 | 108.6 | T1296 N1297 | N1294-T1296 PolarHBondContact O-N 3.15Å; N1294-N1297 PolarHBondContact N-O 3.48Å; N1294-N1297 PolarHBondContact O-N 2.87Å |
| 1295 | G | 62.7 | Low | 60.2 | Low | 70 Ų | 70 | 72.7 Ų | 72.7 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -128.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1297 | G1295-N1297 VanDerWaalsContact C-N 3.28Å; G1295-N1297 PolarHBondContact O-N 3.47Å |
| 1296 | T | 56.6 | Low | 59.7 | Low | 147 Ų | 147 | 73 Ų | 73 | 90% | 0.902 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.2 | -179.4 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | N1294 | N1294-T1296 PolarHBondContact O-N 3.15Š|
| 1297 | N | 48.7 | Very low | 59.2 | Low | 121 Ų | 121 | 78.1 Ų | 78.1 | 65% | 0.647 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.5 | 178.9 | -90.3 | -33.7 | 0 | 0 | 0 | 111.4 | N1294 G1295 | N1294-N1297 PolarHBondContact N-O 3.48Å; N1294-N1297 PolarHBondContact O-N 2.87Å; G1295-N1297 VanDerWaalsContact C-N 3.28Å; G1295-N1297 PolarHBondContact O-N 3.47Å |
| 1298 | R | 63 | Low | 58.9 | Low | 128 Ų | 128 | 78.9 Ų | 78.9 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.9 | 165.9 | -72 | -179.3 | 169.3 | -160.7 | -11.4 | 109.7 | D1262 I1291 W1292 Y1300 | D1262-R1298 IonicContact OD2-NH2 2.76Å; D1262-R1298 PolarHBondContact OD2-NH2 3.15Å; I1291-R1298 HydrophobicContact CG2-CB 3.96Å; I1291-R1298 HydrophobicContact CG2-CG 4.21Å; W1292-R1298 CarbonylContact O-C 3.55Å; W1292-R1298 WeakPolarHBondContact O-CA 3.5Å; R1298-Y1300 HydrophobicContact CB-CE2 4.19Å |
| 1299 | R | 55.5 | Low | 58.4 | Low | 154 Ų | 154 | 82.8 Ų | 82.8 | 58% | 0.581 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.9 | 168.6 | -80.7 | -174.2 | 172.5 | 179.2 | -2.9 | 109.6 | I1291 W1292 Y1301 | I1291-R1299 CarbonylContact C-O 3.51Å; I1291-R1299 WeakPolarHBondContact CA-O 3.45Å; W1292-R1299 PolarHBondContact N-O 2.95Å; W1292-R1299 PolarHBondContact O-N 3.02Å; R1299-Y1301 HydrophobicContact CB-CE2 3.96Å |
| 1300 | Y | 59.8 | Low | 57.8 | Low | 145 Ų | 145 | 83.3 Ų | 83.3 | 57% | 0.569 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 138.5 | 173.6 | -60.7 | -95.8 | 0 | 0 | 0 | 110.1 | Y1240 I1291 R1298 | Y1240-Y1300 HydrophobicContact CE1-CD1 4.33Å; I1291-Y1300 HydrophobicContact CD1-CD1 4.03Å; I1291-Y1300 HydrophobicContact CD1-CE1 3.61Å; I1291-Y1300 HydrophobicContact CG1-CD1 3.82Å; I1291-Y1300 HydrophobicContact CG1-CE1 3.92Å; I1291-Y1300 HydrophobicContact CG2-CD1 4.26Å; I1291-Y1300 HydrophobicContact CG2-CE1 4.19Å; R1298-Y1300 HydrophobicContact CB-CE2 4.19Å |
| 1301 | Y | 54.2 | Low | 56.7 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 28% | 0.278 | 46% | 0.462 | S | S | . | . | trans | -108.1 | 149.7 | 175.3 | -69.3 | -95 | 0 | 0 | 0 | 110.2 | F1203 Y1240 V1290 W1292 R1299 | F1203-Y1301 HydrophobicContact CE1-CE1 4.47Å; F1203-Y1301 HydrophobicContact CE2-CE1 4.43Å; F1203-Y1301 HydrophobicContact CZ-CD1 4.2Å; F1203-Y1301 AromaticContact CZ-CE1 3.6Å; F1203-Y1301 HydrophobicContact CZ-CE1 3.6Å; Y1240-Y1301 PolarHBondContact OH-O 2.79Å; V1290-Y1301 PolarHBondContact O-N 2.87Å; W1292-Y1301 HydrophobicContact CB-CE2 4.2Å; W1292-Y1301 AromaticContact CD1-CD2 3.51Å; W1292-Y1301 AromaticContact CD1-CE2 3.2Å; W1292-Y1301 HydrophobicContact CG-CD2 4.47Å; W1292-Y1301 AromaticContact CG-CE2 3.8Å; W1292-Y1301 HydrophobicContact CG-CE2 3.8Å; W1292-Y1301 AromaticContact NE1-CD2 3.94Å; W1292-Y1301 AromaticContact NE1-CE2 3.67Å; R1299-Y1301 HydrophobicContact CB-CE2 3.96Å | ||
| 1302 | L | 43.8 | Very low | 55.7 | Low | 153 Ų | 153 | 95.8 Ų | 95.8 | 80% | 0.801 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 137.2 | -174.5 | -82.2 | 165.1 | 0 | 0 | 0 | 111.5 | ||
| 1303 | P | 61 | Low | 54.6 | Low | 48 Ų | 48 | 95.1 Ų | 95.1 | 31% | 0.312 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 144.1 | -178.3 | 32.2 | -32.1 | 0 | 0 | 0 | 112 | Y1240 D1287 V1288 | Y1240-P1303 HydrophobicContact CE2-CB 4.22Å; Y1240-P1303 WeakPolarHBondContact OH-CD 3.31Å; D1287-P1303 HydrophobicContact CB-CB 4.02Å; D1287-P1303 HydrophobicContact CB-CG 4.19Å; V1288-P1303 VanDerWaalsContact C-CB 3.48Å; V1288-P1303 CarbonylContact O-C 3.59Å; V1288-P1303 WeakPolarHBondContact O-CA 3.42Å; V1288-P1303 WeakPolarHBondContact O-CB 3.25Å |
| 1304 | Q | 54.5 | Low | 53.8 | Low | 104 Ų | 104 | 97.6 Ų | 97.6 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 143.2 | 160.5 | -73 | -169.6 | -6.5 | 0 | 0 | 110.1 | D1287 V1288 | D1287-Q1304 CarbonylContact C-O 3.57Å; D1287-Q1304 WeakPolarHBondContact CA-O 3.3Å; V1288-Q1304 PolarHBondContact N-O 2.73Å; V1288-Q1304 PolarHBondContact O-N 2.84Å |
| 1305 | T | 61.5 | Low | 53.2 | Low | 67 Ų | 67 | 93 Ų | 93 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130 | 172.8 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | R1244 T1285 F1286 D1287 | R1244-T1305 PolarHBondContact NH1-OG1 2.9Å; T1285-T1305 HydrophobicContact CG2-CG2 3.37Å; F1286-T1305 CarbonylContact O-C 3.58Å; F1286-T1305 VanDerWaalsContact O-CA 3.32Å; F1286-T1305 WeakPolarHBondContact O-CA 3.41Å; D1287-T1305 PolarHBondContact OD1-OG1 3.08Å |
| 1306 | I | 55.5 | Low | 52.4 | Low | 38 Ų | 38 | 93 Ų | 93 | 20% | 0.195 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.7 | -179.8 | -52.2 | -179.6 | 0 | 0 | 0 | 107.9 | Y1210 T1285 F1286 V1288 V1308 | Y1210-I1306 HydrophobicContact CE1-CD1 3.99Å; T1285-I1306 CarbonylContact C-O 3.58Å; T1285-I1306 WeakPolarHBondContact CA-O 3.48Å; F1286-I1306 PolarHBondContact N-O 2.91Å; F1286-I1306 PolarHBondContact O-N 3.39Å; V1288-I1306 HydrophobicContact CB-CD1 4.39Å; V1288-I1306 HydrophobicContact CG2-CD1 3.81Å; V1288-I1306 HydrophobicContact CG2-CG1 4.36Å; I1306-V1308 HydrophobicContact CG2-CG2 4.01Å |
| 1307 | D | 58.8 | Low | 52.2 | Low | 112 Ų | 112 | 91.8 Ų | 91.8 | 60% | 0.599 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.5 | 172.5 | -80.7 | -54.2 | 0 | 0 | 0 | 110.9 | T1285 | T1285-D1307 WeakPolarHBondContact CB-OD1 3.27Å; T1285-D1307 VanDerWaalsContact CG2-OD1 3.25Å; T1285-D1307 WeakPolarHBondContact CG2-OD1 3.47Å; T1285-D1307 PolarHBondContact OG1-OD1 3.29Å |
| 1308 | V | 57 | Low | 52.8 | Low | 28 Ų | 28 | 86.6 Ų | 86.6 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 107 | -176.4 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | V1225 Y1284 F1286 I1306 | V1225-V1308 HydrophobicContact CG1-CG1 4.19Å; V1225-V1308 HydrophobicContact CG2-CG1 3.65Å; Y1284-V1308 PolarHBondContact N-O 2.66Å; Y1284-V1308 PolarHBondContact O-N 3.16Å; F1286-V1308 HydrophobicContact CD2-CG2 4.01Å; F1286-V1308 HydrophobicContact CE2-CB 4.23Å; F1286-V1308 HydrophobicContact CE2-CG2 3.96Å; I1306-V1308 HydrophobicContact CG2-CG2 4.01Å |
| 1309 | T | 55.9 | Low | 52.9 | Low | 86 Ų | 86 | 83.7 Ų | 83.7 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.6 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | N1283 K1311 | N1283-T1309 WeakPolarHBondContact OD1-CG2 3.1Å; N1283-T1309 PolarHBondContact OD1-OG1 3.41Å; T1309-K1311 PolarHBondContact O-N 3.35Å |
| 1310 | T | 53.9 | Low | 53.5 | Low | 15 Ų | 15 | 76.9 Ų | 76.9 | 9% | 0.092 | 40% | 0.397 | C | S | . | . | trans | -75.6 | 114 | 172.2 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | L1278 R1279 P1280 Y1281 T1282 Y1284 | L1278-T1310 HydrophobicContact CB-CG2 4.04Å; R1279-T1310 VanDerWaalsContact O-CB 3.31Å; R1279-T1310 WeakPolarHBondContact O-CB 3.49Å; R1279-T1310 WeakPolarHBondContact O-CG2 3.44Å; R1279-T1310 PolarHBondContact O-OG1 3.34Å; P1280-T1310 VanDerWaalsContact C-OG1 3.28Å; P1280-T1310 WeakPolarHBondContact CA-OG1 3.14Å; Y1281-T1310 PolarHBondContact N-O 3.3Å; Y1281-T1310 PolarHBondContact N-OG1 2.77Å; T1282-T1310 PolarHBondContact N-OG1 3.1Å; T1282-T1310 PolarHBondContact O-N 3.24Å; T1282-T1310 VanDerWaalsContact O-N 3.14Å; T1282-T1310 PolarHBondContact O-OG1 2.9Å; Y1284-T1310 HydrophobicContact CD2-CG2 4.05Å; Y1284-T1310 HydrophobicContact CE2-CG2 3.95Å | ||
| 1311 | K | 44.5 | Very low | 54.4 | Low | 143 Ų | 143 | 70 Ų | 70 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | trans | -65.4 | 166.4 | 179.7 | -77.5 | -171 | 176.3 | -176.9 | 0 | 112.5 | T1309 S1313 | T1309-K1311 PolarHBondContact O-N 3.35Å; K1311-S1313 PolarHBondContact O-N 2.89Å | ||
| 1312 | K | 46.3 | Very low | 55.5 | Low | 153 Ų | 153 | 69.6 Ų | 69.6 | 67% | 0.665 | 38% | 0.376 | S | S | * | . | trans | -58.9 | 104.6 | 179.7 | -170.2 | 176.8 | -165.7 | 176.6 | 0 | 111.7 | Y1281 | Y1281-K1312 HydrophobicContact CE1-CB 4.14Å; Y1281-K1312 HydrophobicContact CE1-CG 3.78Å; Y1281-K1312 WeakPolarHBondContact OH-CG 3.42Å | ||
| 1313 | S | 42.6 | Very low | 57.2 | Low | 21 Ų | 21 | 65 Ų | 65 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 146 | 161.1 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | S1222 P1280 Y1281 K1311 P1315 | S1222-S1313 WeakPolarHBondContact CB-OG 3.25Å; S1222-S1313 VanDerWaalsContact OG-CB 3.23Å; S1222-S1313 WeakPolarHBondContact OG-CB 3.37Å; S1222-S1313 PolarHBondContact OG-OG 3.22Å; P1280-S1313 WeakPolarHBondContact CB-OG 3.47Å; Y1281-S1313 PolarHBondContact OH-O 3.46Å; K1311-S1313 PolarHBondContact O-N 2.89Å; S1313-P1315 WeakPolarHBondContact O-CD 3.22Å |
| 1314 | V | 40 | Very low | 58.2 | Low | 113 Ų | 113 | 66.4 Ų | 66.4 | 69% | 0.685 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 120.4 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1315 | P | 41.2 | Very low | 59.4 | Low | 36 Ų | 36 | 63.9 Ų | 63.9 | 23% | 0.234 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 140.1 | 173.8 | -20.1 | 33.2 | 0 | 0 | 0 | 110.3 | S1313 F1317 Y1343 M1449 | S1313-P1315 WeakPolarHBondContact O-CD 3.22Å; P1315-F1317 PolarHBondContact O-N 3.17Å; P1315-Y1343 HydrophobicContact CB-CD1 4.47Å; P1315-M1449 HydrophobicContact CB-CE 4.15Å; P1315-M1449 HydrophobicContact CB-SD 4.24Å; P1315-M1449 HydrophobicContact CG-CE 4.15Å |
| 1316 | P | 46.4 | Very low | 60 | Low | 71 Ų | 71 | 63.1 Ų | 63.1 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -47 | 138.7 | 168.1 | -30.7 | 36.6 | 0 | 0 | 0 | 112.7 | Y1343 | P1316-Y1343 HydrophobicContact CB-CE1 4.09Å; P1316-Y1343 HydrophobicContact CG-CD1 4.42Å; P1316-Y1343 HydrophobicContact CG-CE1 3.66Å |
| 1317 | F | 51.6 | Low | 61 | Low | 121 Ų | 121 | 64 Ų | 64 | 53% | 0.531 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 151.4 | -177.1 | -51.6 | -74.5 | 0 | 0 | 0 | 112.2 | P1315 T1452 | P1315-F1317 PolarHBondContact O-N 3.17Å; F1317-T1452 HydrophobicContact CB-CG2 4.31Å; F1317-T1452 VanDerWaalsContact CB-OG1 3.27Å; F1317-T1452 WeakPolarHBondContact CB-OG1 3.2Å; F1317-T1452 HydrophobicContact CD1-CG2 3.5Å; F1317-T1452 VanDerWaalsContact CD1-CG2 3.5Å; F1317-T1452 HydrophobicContact CD2-CG2 3.68Å; F1317-T1452 WeakPolarHBondContact CD2-OG1 3.13Å; F1317-T1452 HydrophobicContact CE1-CG2 3.58Å; F1317-T1452 HydrophobicContact CE2-CG2 3.77Å; F1317-T1452 HydrophobicContact CG-CG2 3.54Å; F1317-T1452 VanDerWaalsContact CG-OG1 3.28Å; F1317-T1452 WeakPolarHBondContact CG-OG1 3.4Å; F1317-T1452 HydrophobicContact CZ-CG2 3.71Å |
| 1318 | I | 61.5 | Low | 61.9 | Low | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 138.6 | 174 | -46.2 | 165.5 | 0 | 0 | 0 | 108.3 | A1320 Y1349 L1428 A1430 M1449 Y1450 S1451 | I1318-A1320 PolarHBondContact O-N 3.01Å; I1318-Y1349 HydrophobicContact CD1-CD1 4.38Å; I1318-L1428 HydrophobicContact CG2-CB 4.49Å; I1318-L1428 HydrophobicContact CG2-CD2 3.87Å; I1318-L1428 HydrophobicContact CG2-CG 4.42Å; I1318-A1430 HydrophobicContact CD1-CB 3.49Å; I1318-A1430 VanDerWaalsContact CD1-CB 3.49Å; I1318-A1430 VanDerWaalsContact CD1-N 3.34Å; I1318-A1430 HydrophobicContact CG1-CB 4.4Å; I1318-M1449 HydrophobicContact CD1-CB 4.06Å; I1318-M1449 HydrophobicContact CG1-CB 4.07Å; I1318-Y1450 PolarHBondContact N-O 3.13Å; I1318-S1451 WeakPolarHBondContact O-CA 3.25Å; I1318-S1451 WeakPolarHBondContact O-CB 3.32Å |
| 1319 | T | 66.5 | Low | 62.8 | Low | 67 Ų | 67 | 64 Ų | 64 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 134.3 | 176.5 | -39 | 0 | 0 | 0 | 0 | 110.8 | E1337 | T1319-E1337 WeakPolarHBondContact CB-OE2 3.44Å; T1319-E1337 WeakPolarHBondContact CG2-OE2 3.23Å; T1319-E1337 PolarHBondContact OG1-OE2 3.15Å |
| 1320 | A | 66.7 | Low | 64 | Low | 11 Ų | 11 | 65.5 Ų | 65.5 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 142.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1318 T1322 E1453 V1455 | I1318-A1320 PolarHBondContact O-N 3.01Å; A1320-T1322 PolarHBondContact O-N 3.42Å; A1320-E1453 HydrophobicContact CB-CB 3.85Å; A1320-E1453 VanDerWaalsContact CB-O 3.24Å; A1320-E1453 WeakPolarHBondContact CB-O 3.33Å; A1320-V1455 HydrophobicContact CB-CG2 4.3Å |
| 1321 | P | 79 | Confident | 65.6 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -59.2 | 101.8 | 178.5 | -28.1 | 37.6 | 0 | 0 | 0 | 113.6 | V1323 I1334 R1335 L1336 L1351 V1426 L1428 V1455 | P1321-V1323 PolarHBondContact O-N 2.99Å; P1321-I1334 HydrophobicContact CB-CB 4.5Å; P1321-I1334 HydrophobicContact CB-CD1 4.2Å; P1321-R1335 CarbonylContact C-O 3.45Å; P1321-R1335 VanDerWaalsContact CA-O 3.31Å; P1321-R1335 WeakPolarHBondContact CA-O 3.11Å; P1321-L1336 HydrophobicContact CB-CD2 3.69Å; P1321-L1336 HydrophobicContact CG-CD2 3.79Å; P1321-L1351 HydrophobicContact CG-CD1 4.18Å; P1321-V1426 HydrophobicContact CB-CG1 4.12Å; P1321-V1426 HydrophobicContact CG-CG1 4.32Å; P1321-L1428 HydrophobicContact CG-CB 4.08Å; P1321-V1455 VanDerWaalsContact O-CB 3.32Å; P1321-V1455 WeakPolarHBondContact O-CB 3.26Å; P1321-V1455 WeakPolarHBondContact O-CG2 3.46Å | ||
| 1322 | T | 78.2 | Confident | 67.5 | Low | 64 Ų | 64 | 60.4 Ų | 60.4 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.2 | -173.7 | 31.2 | 0 | 0 | 0 | 0 | 111.6 | A1320 I1324 I1334 R1335 | A1320-T1322 PolarHBondContact O-N 3.42Å; T1322-I1324 PolarHBondContact O-N 2.77Å; T1322-I1334 CarbonylContact O-C 3.57Å; T1322-I1334 VanDerWaalsContact O-CA 3.28Å; T1322-I1334 WeakPolarHBondContact O-CA 3.25Å; T1322-R1335 PolarHBondContact N-O 2.57Å; T1322-R1335 PolarHBondContact O-N 3.31Å |
| 1323 | V | 79.2 | Confident | 69.5 | Low | 56 Ų | 56 | 58 Ų | 58 | 34% | 0.339 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.5 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | P1321 I1334 V1455 L1457 | P1321-V1323 PolarHBondContact O-N 2.99Å; V1323-I1334 HydrophobicContact CG2-CG2 3.91Å; V1323-V1455 HydrophobicContact CB-CG1 4.02Å; V1323-V1455 HydrophobicContact CG2-CB 4.46Å; V1323-V1455 HydrophobicContact CG2-CG1 3.55Å; V1323-L1457 HydrophobicContact CG1-CG 4.42Å; V1323-L1457 HydrophobicContact CG2-CB 4.17Å; V1323-L1457 HydrophobicContact CG2-CD1 3.86Å; V1323-L1457 HydrophobicContact CG2-CG 3.79Å |
| 1324 | I | 81.7 | Confident | 71.8 | Confident | 77 Ų | 77 | 57 Ų | 57 | 40% | 0.395 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -55 | 178.9 | -62.3 | 160.8 | 0 | 0 | 0 | 109.8 | T1322 R1333 R1335 T1401 | T1322-I1324 PolarHBondContact O-N 2.77Å; I1324-R1333 HydrophobicContact CB-CB 3.95Å; I1324-R1333 HydrophobicContact CD1-CB 4.19Å; I1324-R1333 PolarHBondContact N-O 3.4Å; I1324-R1335 HydrophobicContact CD1-CB 4.16Å; I1324-T1401 HydrophobicContact CD1-CG2 3.73Å; I1324-T1401 WeakPolarHBondContact CD1-OG1 3.25Å |
| 1325 | D | 80.3 | Confident | 74.1 | Confident | 51 Ų | 51 | 56.4 Ų | 56.4 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 165 | -179.7 | 60.4 | 47.9 | 0 | 0 | 0 | 111.9 | A1332 R1333 | D1325-A1332 CarbonylContact O-C 3.6Å; D1325-A1332 VanDerWaalsContact O-CA 3.29Å; D1325-A1332 WeakPolarHBondContact O-CA 3.42Å; D1325-A1332 WeakPolarHBondContact O-CB 3.22Å; D1325-R1333 PolarHBondContact O-N 3.15Å; D1325-R1333 WeakPolarHBondContact OD1-CB 3.39Å; D1325-R1333 WeakPolarHBondContact OD1-CD 3.3Å; D1325-R1333 VanDerWaalsContact OD1-CG 3.31Å; D1325-R1333 WeakPolarHBondContact OD1-CG 3.29Å; D1325-R1333 IonicContact OD1-CZ 3.47Å; D1325-R1333 IonicContact OD1-NE 3.6Å; D1325-R1333 IonicContact OD1-NH1 2.75Å; D1325-R1333 PolarHBondContact OD1-NH1 3.4Å; D1325-R1333 IonicContact OD2-CZ 3.42Å; D1325-R1333 IonicContact OD2-NH1 3.6Å; D1325-R1333 PolarHBondContact OD2-NH1 2.9Å |
| 1326 | S | 73.8 | Confident | 76.2 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.2 | 161.4 | 58.2 | 0 | 0 | 0 | 0 | 109 | E1331 | S1326-E1331 CarbonylContact C-O 3.51Å |
| 1327 | V | 75.4 | Confident | 77.7 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 35% | 0.345 | 29% | 0.286 | S | S | . | . | trans | -71.2 | -38.4 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | E1331 R1333 V1403 | V1327-E1331 HydrophobicContact CB-CB 3.92Å; V1327-E1331 HydrophobicContact CG2-CB 4.48Å; V1327-E1331 PolarHBondContact N-O 2.69Å; V1327-R1333 HydrophobicContact CG2-CG 3.77Å; V1327-V1403 HydrophobicContact CG2-CG1 4.43Å | ||
| 1328 | N | 78.9 | Confident | 78.7 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -162.4 | -166 | 173.7 | 55.5 | 62 | 0 | 0 | 0 | 109.6 | K1330 E1331 | N1328-K1330 PolarHBondContact O-N 2.87Å; N1328-K1330 VanDerWaalsContact O-N 3.13Å; N1328-K1330 WeakPolarHBondContact OD1-CA 3.35Å; N1328-K1330 PolarHBondContact OD1-N 3.34Å; N1328-E1331 PolarHBondContact N-O 3.15Å; N1328-E1331 PolarHBondContact ND2-OE2 3.32Å; N1328-E1331 PolarHBondContact OD1-N 2.74Å; N1328-E1331 VanDerWaalsContact OD1-N 3.15Å |
| 1329 | S | 74.3 | Confident | 78.8 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -71.8 | 3.9 | -179.9 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | N1420 | S1329-N1420 WeakPolarHBondContact O-CB 3.26Š|
| 1330 | K | 82.1 | Confident | 78.6 | Confident | 118 Ų | 118 | 51 Ų | 51 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -134.7 | -10.3 | 179.2 | -60.7 | -174.3 | 178.5 | -176 | 0 | 114.7 | N1328 P1417 L1418 | N1328-K1330 PolarHBondContact O-N 2.87Å; N1328-K1330 VanDerWaalsContact O-N 3.13Å; N1328-K1330 WeakPolarHBondContact OD1-CA 3.35Å; N1328-K1330 PolarHBondContact OD1-N 3.34Å; K1330-P1417 HydrophobicContact CB-CB 4.18Å; K1330-P1417 HydrophobicContact CD-CB 4.15Å; K1330-L1418 WeakPolarHBondContact CA-O 3.45Å; K1330-L1418 VanDerWaalsContact O-CB 3.29Å; K1330-L1418 WeakPolarHBondContact O-CB 3.22Å; K1330-L1418 WeakPolarHBondContact O-CG 3.32Å; K1330-L1418 PolarHBondContact O-N 3.2Å |
| 1331 | E | 86.7 | Confident | 77.9 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | trans | -135.3 | 145.6 | -169.4 | -69.8 | 174.2 | 165.7 | 0 | 0 | 111.5 | S1326 V1327 N1328 L1404 | S1326-E1331 CarbonylContact C-O 3.51Å; V1327-E1331 HydrophobicContact CB-CB 3.92Å; V1327-E1331 HydrophobicContact CG2-CB 4.48Å; V1327-E1331 PolarHBondContact N-O 2.69Å; N1328-E1331 PolarHBondContact N-O 3.15Å; N1328-E1331 PolarHBondContact ND2-OE2 3.32Å; N1328-E1331 PolarHBondContact OD1-N 2.74Å; N1328-E1331 VanDerWaalsContact OD1-N 3.15Å; E1331-L1404 VanDerWaalsContact CA-O 3.27Å; E1331-L1404 WeakPolarHBondContact CA-O 3.45Å | ||
| 1332 | A | 84.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 145.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1325 V1403 L1404 L1418 L1457 L1459 | D1325-A1332 CarbonylContact O-C 3.6Å; D1325-A1332 VanDerWaalsContact O-CA 3.29Å; D1325-A1332 WeakPolarHBondContact O-CA 3.42Å; D1325-A1332 WeakPolarHBondContact O-CB 3.22Å; A1332-V1403 CarbonylContact O-C 3.47Å; A1332-L1404 PolarHBondContact N-O 3.41Å; A1332-L1404 PolarHBondContact O-N 2.95Å; A1332-L1418 HydrophobicContact CB-CD1 4.46Å; A1332-L1457 HydrophobicContact CB-CD1 3.86Å; A1332-L1457 HydrophobicContact CB-CD2 3.89Å; A1332-L1457 HydrophobicContact CB-CG 4.25Å; A1332-L1459 HydrophobicContact CB-CD2 4.43Å |
| 1333 | R | 89.4 | Confident | 75.2 | Confident | 103 Ų | 103 | 65.8 Ų | 65.8 | 39% | 0.389 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.1 | 174.8 | -68.5 | -178.3 | -174.5 | 126.4 | -0.7 | 110.4 | I1324 D1325 V1327 T1401 V1403 | I1324-R1333 HydrophobicContact CB-CB 3.95Å; I1324-R1333 HydrophobicContact CD1-CB 4.19Å; I1324-R1333 PolarHBondContact N-O 3.4Å; D1325-R1333 PolarHBondContact O-N 3.15Å; D1325-R1333 WeakPolarHBondContact OD1-CB 3.39Å; D1325-R1333 WeakPolarHBondContact OD1-CD 3.3Å; D1325-R1333 VanDerWaalsContact OD1-CG 3.31Å; D1325-R1333 WeakPolarHBondContact OD1-CG 3.29Å; D1325-R1333 IonicContact OD1-CZ 3.47Å; D1325-R1333 IonicContact OD1-NE 3.6Å; D1325-R1333 IonicContact OD1-NH1 2.75Å; D1325-R1333 PolarHBondContact OD1-NH1 3.4Å; D1325-R1333 IonicContact OD2-CZ 3.42Å; D1325-R1333 IonicContact OD2-NH1 3.6Å; D1325-R1333 PolarHBondContact OD2-NH1 2.9Å; V1327-R1333 HydrophobicContact CG2-CG 3.77Å; R1333-T1401 HydrophobicContact CB-CG2 4.03Å; R1333-T1401 HydrophobicContact CG-CG2 4.2Å; R1333-V1403 HydrophobicContact CG-CG2 4.42Å |
| 1334 | I | 89.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.7 | 173.2 | 66.1 | -177.7 | 0 | 0 | 0 | 109.6 | P1321 T1322 V1323 L1336 L1351 T1401 F1402 L1404 V1426 L1457 | P1321-I1334 HydrophobicContact CB-CB 4.5Å; P1321-I1334 HydrophobicContact CB-CD1 4.2Å; T1322-I1334 CarbonylContact O-C 3.57Å; T1322-I1334 VanDerWaalsContact O-CA 3.28Å; T1322-I1334 WeakPolarHBondContact O-CA 3.25Å; V1323-I1334 HydrophobicContact CG2-CG2 3.91Å; I1334-L1336 HydrophobicContact CD1-CD2 4.02Å; I1334-L1336 HydrophobicContact CG1-CD2 4.19Å; I1334-L1351 HydrophobicContact CD1-CD1 3.83Å; I1334-L1351 HydrophobicContact CD1-CD2 3.98Å; I1334-L1351 HydrophobicContact CD1-CG 4.49Å; I1334-T1401 CarbonylContact O-C 3.57Å; I1334-T1401 WeakPolarHBondContact O-CA 3.42Å; I1334-F1402 HydrophobicContact CD1-CD1 4.15Å; I1334-F1402 HydrophobicContact CG1-CB 3.97Å; I1334-F1402 HydrophobicContact CG1-CD1 4.27Å; I1334-F1402 PolarHBondContact N-O 2.73Å; I1334-F1402 PolarHBondContact O-N 3.2Å; I1334-F1402 VanDerWaalsContact O-O 3.13Å; I1334-L1404 HydrophobicContact CD1-CB 4.33Å; I1334-L1404 HydrophobicContact CD1-CD1 4.1Å; I1334-V1426 HydrophobicContact CD1-CG1 4Å; I1334-L1457 HydrophobicContact CG2-CD1 4.32Å |
| 1335 | R | 88.4 | Confident | 72.6 | Confident | 101 Ų | 101 | 65.6 Ų | 65.6 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.8 | 169.9 | 178.3 | 173.5 | -69.6 | 135.1 | 2.5 | 110 | P1321 T1322 I1324 D1399 G1400 | P1321-R1335 CarbonylContact C-O 3.45Å; P1321-R1335 VanDerWaalsContact CA-O 3.31Å; P1321-R1335 WeakPolarHBondContact CA-O 3.11Å; T1322-R1335 PolarHBondContact N-O 2.57Å; T1322-R1335 PolarHBondContact O-N 3.31Å; I1324-R1335 HydrophobicContact CD1-CB 4.16Å; R1335-D1399 PolarHBondContact NE-O 3.38Å; R1335-G1400 CarbonylContact C-O 3.52Å; R1335-G1400 WeakPolarHBondContact CA-O 3.29Å |
| 1336 | L | 87.1 | Confident | 71.7 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | trans | -111 | 148.1 | 173.1 | -52.2 | -177.5 | 0 | 0 | 0 | 109.1 | P1321 I1334 L1351 L1389 I1394 L1397 G1400 F1402 L1428 | P1321-L1336 HydrophobicContact CB-CD2 3.69Å; P1321-L1336 HydrophobicContact CG-CD2 3.79Å; I1334-L1336 HydrophobicContact CD1-CD2 4.02Å; I1334-L1336 HydrophobicContact CG1-CD2 4.19Å; L1336-L1351 HydrophobicContact CD1-CD2 4.4Å; L1336-L1351 HydrophobicContact CD2-CD1 3.9Å; L1336-L1389 HydrophobicContact CD1-CD1 3.56Å; L1336-I1394 HydrophobicContact CB-CG2 4.2Å; L1336-L1397 HydrophobicContact CB-CD1 4.38Å; L1336-L1397 HydrophobicContact CD1-CD1 3.93Å; L1336-L1397 HydrophobicContact CG-CD1 4.4Å; L1336-G1400 PolarHBondContact N-O 2.71Å; L1336-F1402 HydrophobicContact CD1-CB 3.83Å; L1336-F1402 HydrophobicContact CD1-CD2 4.36Å; L1336-F1402 HydrophobicContact CD1-CG 4.2Å; L1336-F1402 HydrophobicContact CG-CB 4.11Å; L1336-L1428 HydrophobicContact CB-CD2 4.48Å | ||
| 1337 | E | 77.7 | Confident | 71.4 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | trans | -125.6 | 141.4 | 176.1 | -64 | -175.2 | 173.1 | 0 | 0 | 110.2 | T1319 | T1319-E1337 WeakPolarHBondContact CB-OE2 3.44Å; T1319-E1337 WeakPolarHBondContact CG2-OE2 3.23Å; T1319-E1337 PolarHBondContact OG1-OE2 3.15Å | ||
| 1338 | A | 70.9 | Confident | 71.4 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 141.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1391 I1394 L1395 | A1338-R1391 HydrophobicContact CB-CG 4.27Å; A1338-I1394 HydrophobicContact CB-CB 4.21Å; A1338-I1394 HydrophobicContact CB-CG2 3.9Å; A1338-L1395 HydrophobicContact CB-CD2 4Å; A1338-L1395 HydrophobicContact CB-CG 4.09Å |
| 1339 | A | 64.3 | Low | 71.5 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 146.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1343 V1346 Y1349 R1391 | A1339-Y1343 HydrophobicContact CB-CD2 4.11Å; A1339-V1346 HydrophobicContact CB-CG2 4.4Å; A1339-Y1349 HydrophobicContact CB-CE1 4.34Å; A1339-Y1349 WeakPolarHBondContact CB-OH 3.11Å; A1339-Y1349 PolarHBondContact N-OH 3.15Å; A1339-R1391 PolarHBondContact O-NE 2.77Å; A1339-R1391 PolarHBondContact O-NH2 3.13Å |
| 1340 | T | 62 | Low | 72 | Confident | 60 Ų | 60 | 57.1 Ų | 57.1 | 37% | 0.368 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 160.3 | 174.4 | 67.5 | 0 | 0 | 0 | 0 | 111 | E1342 Y1343 | T1340-E1342 PolarHBondContact O-N 2.94Å; T1340-E1342 VanDerWaalsContact O-N 3.11Å; T1340-Y1343 PolarHBondContact O-N 3.22Å; T1340-Y1343 VanDerWaalsContact OG1-CE2 3.31Å; T1340-Y1343 WeakPolarHBondContact OG1-CE2 3.45Å |
| 1341 | E | 53.6 | Low | 72.3 | Confident | 151 Ų | 151 | 51.5 Ų | 51.5 | 71% | 0.706 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -67.3 | -11.1 | -179.4 | -56.2 | -169.2 | 170 | 0 | 0 | 113.4 | Y1343 G1344 R1391 | E1341-Y1343 PolarHBondContact O-N 3.25Å; E1341-G1344 PolarHBondContact O-N 3.49Å; E1341-R1391 VanDerWaalsContact CG-NH2 3.29Å; E1341-R1391 IonicContact OE1-CZ 3.08Å; E1341-R1391 IonicContact OE1-NH1 3.95Å; E1341-R1391 PolarHBondContact OE1-NH1 2.99Å; E1341-R1391 IonicContact OE1-NH2 3.73Å |
| 1342 | E | 48.2 | Very low | 72.2 | Confident | 164 Ų | 164 | 49.4 Ų | 49.4 | 77% | 0.766 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -67.6 | -18.4 | 177.8 | -55.6 | -176.1 | 127.6 | 0 | 0 | 112.4 | T1340 | T1340-E1342 PolarHBondContact O-N 2.94Å; T1340-E1342 VanDerWaalsContact O-N 3.11Å |
| 1343 | Y | 50.6 | Low | 72.2 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 28% | 0.275 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -98.5 | -1.9 | -177.2 | -48.9 | -36.9 | 0 | 0 | 0 | 114.2 | P1315 P1316 A1339 T1340 E1341 M1449 | P1315-Y1343 HydrophobicContact CB-CD1 4.47Å; P1316-Y1343 HydrophobicContact CB-CE1 4.09Å; P1316-Y1343 HydrophobicContact CG-CD1 4.42Å; P1316-Y1343 HydrophobicContact CG-CE1 3.66Å; A1339-Y1343 HydrophobicContact CB-CD2 4.11Å; T1340-Y1343 PolarHBondContact O-N 3.22Å; T1340-Y1343 VanDerWaalsContact OG1-CE2 3.31Å; T1340-Y1343 WeakPolarHBondContact OG1-CE2 3.45Å; E1341-Y1343 PolarHBondContact O-N 3.25Å; Y1343-M1449 VanDerWaalsContact O-CE 3.24Å; Y1343-M1449 WeakPolarHBondContact O-CE 3.42Å |
| 1344 | G | 52.5 | Low | 71.6 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 32% | 0.32 | 23% | 0.233 | S | C | . | . | trans | 99.8 | 178 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1341 V1346 | E1341-G1344 PolarHBondContact O-N 3.49Å; G1344-V1346 PolarHBondContact O-N 2.9Å | ||
| 1345 | P | 54.4 | Low | 70.7 | Confident | 98 Ų | 98 | 45.1 Ų | 45.1 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | trans | -77.1 | 89.2 | -172.3 | 31.3 | -34.9 | 0 | 0 | 0 | 112 | S1347 L1432 | P1345-S1347 PolarHBondContact O-N 3.19Å; P1345-L1432 VanDerWaalsContact C-CD2 3.48Å; P1345-L1432 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1346 | V | 62.4 | Low | 69.9 | Low | 18 Ų | 18 | 41 Ų | 41 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 114 | 171.1 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | A1339 G1344 Y1349 A1430 F1431 L1432 M1449 | A1339-V1346 HydrophobicContact CB-CG2 4.4Å; G1344-V1346 PolarHBondContact O-N 2.9Å; V1346-Y1349 HydrophobicContact CB-CE2 4.5Å; V1346-Y1349 HydrophobicContact CG1-CD2 4.08Å; V1346-Y1349 HydrophobicContact CG1-CE1 4.09Å; V1346-Y1349 HydrophobicContact CG1-CE2 3.54Å; V1346-A1430 HydrophobicContact CG1-CB 3.66Å; V1346-A1430 HydrophobicContact CG2-CB 4.12Å; V1346-F1431 WeakPolarHBondContact CA-O 3.4Å; V1346-L1432 HydrophobicContact CG2-CD2 3.94Å; V1346-M1449 HydrophobicContact CG2-CE 4.14Å; V1346-M1449 HydrophobicContact CG2-SD 4.43Å |
| 1347 | S | 66.1 | Low | 68.9 | Low | 35 Ų | 35 | 45.6 Ų | 45.6 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -39.1 | -179.6 | -55.6 | 0 | 0 | 0 | 0 | 112.7 | P1345 F1431 E1433 | P1345-S1347 PolarHBondContact O-N 3.19Å; S1347-F1431 PolarHBondContact N-O 3.31Å; S1347-E1433 WeakPolarHBondContact CB-OE2 3.38Å; S1347-E1433 WeakPolarHBondContact OG-CB 3.2Å; S1347-E1433 VanDerWaalsContact OG-CG 3.28Å; S1347-E1433 WeakPolarHBondContact OG-CG 3.21Å; S1347-E1433 PolarHBondContact OG-N 2.8Å; S1347-E1433 PolarHBondContact OG-OE2 2.9Å |
| 1348 | Y | 75.3 | Confident | 67.9 | Low | 33 Ų | 33 | 44.2 Ų | 44.2 | 13% | 0.129 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 163.1 | 176.2 | 56.4 | -91.9 | 0 | 0 | 0 | 113.4 | W1350 R1388 A1430 F1431 | Y1348-W1350 AromaticContact CD2-CD1 3.69Å; Y1348-W1350 AromaticContact CD2-NE1 3.4Å; Y1348-W1350 AromaticContact CE2-CD1 3.96Å; Y1348-W1350 AromaticContact CE2-CE2 3.87Å; Y1348-W1350 HydrophobicContact CE2-CZ2 4.22Å; Y1348-W1350 AromaticContact CE2-NE1 3.27Å; Y1348-W1350 VanDerWaalsContact CE2-NE1 3.27Å; Y1348-R1388 HydrophobicContact CD2-CG 4.38Å; Y1348-R1388 HydrophobicContact CG-CG 4.48Å; Y1348-A1430 WeakPolarHBondContact O-CA 3.41Å; Y1348-F1431 HydrophobicContact CD2-CB 4.1Å; Y1348-F1431 AromaticContact CD2-CD2 3.58Å; Y1348-F1431 HydrophobicContact CD2-CD2 3.58Å; Y1348-F1431 HydrophobicContact CD2-CE2 4.27Å; Y1348-F1431 HydrophobicContact CD2-CG 4.05Å; Y1348-F1431 HydrophobicContact CE1-CB 4.18Å; Y1348-F1431 HydrophobicContact CE2-CB 3.65Å; Y1348-F1431 HydrophobicContact CE2-CD1 4.07Å; Y1348-F1431 AromaticContact CE2-CD2 3.25Å; Y1348-F1431 HydrophobicContact CE2-CD2 3.25Å; Y1348-F1431 AromaticContact CE2-CE2 3.83Å; Y1348-F1431 HydrophobicContact CE2-CE2 3.83Å; Y1348-F1431 AromaticContact CE2-CG 3.39Å; Y1348-F1431 HydrophobicContact CE2-CG 3.39Å; Y1348-F1431 HydrophobicContact CE2-CZ 4.43Å; Y1348-F1431 AromaticContact CZ-CG 3.78Å; Y1348-F1431 PolarHBondContact O-N 2.94Å |
| 1349 | Y | 82.4 | Confident | 67 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.4 | 175.5 | -55.7 | -104.2 | 0 | 0 | 0 | 109.9 | I1318 A1339 V1346 R1388 L1389 R1391 I1394 L1428 R1429 A1430 | I1318-Y1349 HydrophobicContact CD1-CD1 4.38Å; A1339-Y1349 HydrophobicContact CB-CE1 4.34Å; A1339-Y1349 WeakPolarHBondContact CB-OH 3.11Å; A1339-Y1349 PolarHBondContact N-OH 3.15Å; V1346-Y1349 HydrophobicContact CB-CE2 4.5Å; V1346-Y1349 HydrophobicContact CG1-CD2 4.08Å; V1346-Y1349 HydrophobicContact CG1-CE1 4.09Å; V1346-Y1349 HydrophobicContact CG1-CE2 3.54Å; Y1349-R1388 WeakPolarHBondContact O-CA 3.25Å; Y1349-L1389 PolarHBondContact N-O 3.3Å; Y1349-L1389 PolarHBondContact O-N 3.18Å; Y1349-R1391 HydrophobicContact CE2-CB 4.06Å; Y1349-R1391 HydrophobicContact CE2-CG 4.47Å; Y1349-I1394 HydrophobicContact CD1-CD1 3.88Å; Y1349-I1394 HydrophobicContact CD2-CD1 3.58Å; Y1349-I1394 HydrophobicContact CE1-CD1 4.25Å; Y1349-I1394 HydrophobicContact CE2-CD1 4.02Å; Y1349-I1394 HydrophobicContact CG-CD1 3.53Å; Y1349-L1428 HydrophobicContact CD1-CD2 4.06Å; Y1349-L1428 HydrophobicContact CD1-CG 4.13Å; Y1349-R1429 CarbonylContact C-O 3.58Å; Y1349-R1429 VanDerWaalsContact CA-O 3.24Å; Y1349-R1429 WeakPolarHBondContact CA-O 3.04Å; Y1349-A1430 HydrophobicContact CD1-CB 3.81Å; Y1349-A1430 HydrophobicContact CE1-CB 3.88Å |
| 1350 | W | 84.9 | Confident | 66.2 | Low | 33 Ų | 33 | 56 Ų | 56 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.9 | 166.7 | -68.2 | 1.1 | 0 | 0 | 0 | 109.8 | Y1348 I1352 L1371 V1385 A1387 L1428 R1429 F1431 | Y1348-W1350 AromaticContact CD2-CD1 3.69Å; Y1348-W1350 AromaticContact CD2-NE1 3.4Å; Y1348-W1350 AromaticContact CE2-CD1 3.96Å; Y1348-W1350 AromaticContact CE2-CE2 3.87Å; Y1348-W1350 HydrophobicContact CE2-CZ2 4.22Å; Y1348-W1350 AromaticContact CE2-NE1 3.27Å; Y1348-W1350 VanDerWaalsContact CE2-NE1 3.27Å; W1350-I1352 HydrophobicContact CB-CD1 4.24Å; W1350-I1352 HydrophobicContact CB-CG1 4.13Å; W1350-I1352 HydrophobicContact CE3-CD1 4.49Å; W1350-L1371 HydrophobicContact CH2-CD2 3.82Å; W1350-L1371 HydrophobicContact CZ2-CD2 4.44Å; W1350-L1371 HydrophobicContact CZ3-CD2 4.2Å; W1350-V1385 HydrophobicContact CB-CG1 4.04Å; W1350-V1385 HydrophobicContact CE3-CG2 4.2Å; W1350-V1385 HydrophobicContact CG-CG1 4.26Å; W1350-A1387 WeakPolarHBondContact CA-O 3.23Å; W1350-L1428 WeakPolarHBondContact O-CA 2.84Å; W1350-R1429 PolarHBondContact N-O 3.38Å; W1350-R1429 PolarHBondContact O-N 3.14Å; W1350-F1431 HydrophobicContact CB-CE2 4.23Å; W1350-F1431 AromaticContact CD2-CE2 3.64Å; W1350-F1431 HydrophobicContact CD2-CE2 3.64Å; W1350-F1431 AromaticContact CD2-CZ 3.79Å; W1350-F1431 HydrophobicContact CD2-CZ 3.79Å; W1350-F1431 AromaticContact CE2-CE2 3.89Å; W1350-F1431 AromaticContact CE2-CZ 3.98Å; W1350-F1431 HydrophobicContact CE3-CE2 4.06Å; W1350-F1431 AromaticContact CE3-CZ 3.77Å; W1350-F1431 HydrophobicContact CE3-CZ 3.77Å; W1350-F1431 AromaticContact CG-CE2 3.73Å; W1350-F1431 HydrophobicContact CG-CE2 3.73Å; W1350-F1431 HydrophobicContact CG-CZ 4.36Å; W1350-F1431 HydrophobicContact CH2-CZ 4.12Å; W1350-F1431 HydrophobicContact CZ2-CE2 4.47Å; W1350-F1431 HydrophobicContact CZ2-CZ 4.15Å; W1350-F1431 AromaticContact CZ3-CZ 3.95Å; W1350-F1431 HydrophobicContact CZ3-CZ 3.95Å |
| 1351 | L | 87.6 | Confident | 65.7 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.5 | 170.6 | 176.2 | 66.2 | 0 | 0 | 0 | 108.8 | P1321 I1334 L1336 V1385 A1386 A1387 F1402 L1404 V1426 L1428 | P1321-L1351 HydrophobicContact CG-CD1 4.18Å; I1334-L1351 HydrophobicContact CD1-CD1 3.83Å; I1334-L1351 HydrophobicContact CD1-CD2 3.98Å; I1334-L1351 HydrophobicContact CD1-CG 4.49Å; L1336-L1351 HydrophobicContact CD1-CD2 4.4Å; L1336-L1351 HydrophobicContact CD2-CD1 3.9Å; L1351-V1385 CarbonylContact O-C 3.54Å; L1351-V1385 WeakPolarHBondContact O-CA 3.18Å; L1351-V1385 WeakPolarHBondContact O-CG1 3.4Å; L1351-A1386 HydrophobicContact CD2-CB 4.13Å; L1351-A1386 HydrophobicContact CG-CB 4.27Å; L1351-A1386 PolarHBondContact O-N 3.11Å; L1351-A1387 HydrophobicContact CB-CB 4.1Å; L1351-A1387 HydrophobicContact CD2-CB 4.31Å; L1351-A1387 PolarHBondContact N-O 3.33Å; L1351-F1402 HydrophobicContact CD2-CD1 3.55Å; L1351-F1402 HydrophobicContact CD2-CD2 4.45Å; L1351-F1402 HydrophobicContact CD2-CE1 3.4Å; L1351-F1402 VanDerWaalsContact CD2-CE1 3.4Å; L1351-F1402 HydrophobicContact CD2-CE2 4.33Å; L1351-F1402 HydrophobicContact CD2-CG 4.1Å; L1351-F1402 HydrophobicContact CD2-CZ 3.83Å; L1351-L1404 HydrophobicContact CD2-CD1 3.93Å; L1351-L1404 HydrophobicContact CG-CD1 4.48Å; L1351-V1426 HydrophobicContact CD1-CG1 3.75Å; L1351-L1428 HydrophobicContact CB-CD1 4.15Å; L1351-L1428 HydrophobicContact CD1-CD1 4.37Å |
| 1352 | I | 83.8 | Confident | 65.1 | Low | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.9 | -168.7 | -53.1 | 175.2 | 0 | 0 | 0 | 110 | W1350 V1354 V1385 V1426 F1427 R1429 | W1350-I1352 HydrophobicContact CB-CD1 4.24Å; W1350-I1352 HydrophobicContact CB-CG1 4.13Å; W1350-I1352 HydrophobicContact CE3-CD1 4.49Å; I1352-V1354 HydrophobicContact CG2-CG2 3.96Å; I1352-V1385 HydrophobicContact CG1-CG2 4.35Å; I1352-V1426 WeakPolarHBondContact O-CA 3.4Å; I1352-F1427 HydrophobicContact CB-CD1 4.33Å; I1352-F1427 HydrophobicContact CB-CD2 4.14Å; I1352-F1427 HydrophobicContact CB-CE1 3.99Å; I1352-F1427 HydrophobicContact CB-CE2 3.78Å; I1352-F1427 HydrophobicContact CB-CG 4.41Å; I1352-F1427 HydrophobicContact CB-CZ 3.7Å; I1352-F1427 HydrophobicContact CD1-CD2 4.32Å; I1352-F1427 HydrophobicContact CD1-CE2 3.62Å; I1352-F1427 HydrophobicContact CD1-CZ 4.1Å; I1352-F1427 HydrophobicContact CG1-CE2 4.19Å; I1352-F1427 HydrophobicContact CG1-CZ 4.47Å; I1352-F1427 HydrophobicContact CG2-CE1 3.79Å; I1352-F1427 HydrophobicContact CG2-CE2 4.05Å; I1352-F1427 HydrophobicContact CG2-CZ 3.48Å; I1352-F1427 VanDerWaalsContact CG2-CZ 3.48Å; I1352-F1427 PolarHBondContact N-O 3.48Å; I1352-F1427 PolarHBondContact O-N 3.34Å; I1352-R1429 HydrophobicContact CD1-CB 4.26Å |
| 1353 | V | 84.6 | Confident | 64.9 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130 | -176.3 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | P1383 Y1384 A1386 L1404 L1418 Y1424 | V1353-P1383 CarbonylContact O-C 3.45Å; V1353-P1383 WeakPolarHBondContact O-CA 3.2Å; V1353-Y1384 HydrophobicContact CB-CD1 4.05Å; V1353-Y1384 HydrophobicContact CB-CE1 3.6Å; V1353-Y1384 HydrophobicContact CB-CE2 4.42Å; V1353-Y1384 HydrophobicContact CG1-CD1 4.4Å; V1353-Y1384 HydrophobicContact CG1-CE1 3.63Å; V1353-Y1384 HydrophobicContact CG2-CE1 4.29Å; V1353-Y1384 HydrophobicContact CG2-CE2 4.36Å; V1353-Y1384 PolarHBondContact N-O 3.18Å; V1353-Y1384 PolarHBondContact O-N 3.18Å; V1353-A1386 HydrophobicContact CG2-CB 3.87Å; V1353-L1404 HydrophobicContact CG2-CD1 3.69Å; V1353-L1404 HydrophobicContact CG2-CD2 3.92Å; V1353-L1404 HydrophobicContact CG2-CG 4.21Å; V1353-L1418 HydrophobicContact CG1-CD2 4.36Å; V1353-Y1424 HydrophobicContact CG1-CD1 3.64Å; V1353-Y1424 HydrophobicContact CG1-CE1 4.27Å; V1353-Y1424 HydrophobicContact CG1-CG 4.23Å |
| 1354 | V | 77.8 | Confident | 64.5 | Low | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150 | -171.3 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | I1352 A1356 I1358 L1361 P1383 Y1424 K1425 F1427 | I1352-V1354 HydrophobicContact CG2-CG2 3.96Å; V1354-A1356 PolarHBondContact O-N 3.44Å; V1354-I1358 HydrophobicContact CG1-CB 4.16Å; V1354-I1358 HydrophobicContact CG1-CD1 3.48Å; V1354-I1358 VanDerWaalsContact CG1-CD1 3.48Å; V1354-I1358 HydrophobicContact CG1-CG1 4.38Å; V1354-I1358 HydrophobicContact CG1-CG2 4.35Å; V1354-L1361 HydrophobicContact CG1-CD2 4.38Å; V1354-L1361 HydrophobicContact CG2-CD2 4.15Å; V1354-P1383 HydrophobicContact CB-CB 4.38Å; V1354-P1383 HydrophobicContact CG1-CB 4.16Å; V1354-P1383 HydrophobicContact CG2-CB 3.72Å; V1354-Y1424 CarbonylContact O-C 3.55Å; V1354-Y1424 WeakPolarHBondContact O-CA 3.34Å; V1354-K1425 PolarHBondContact N-O 3.01Å; V1354-K1425 PolarHBondContact O-N 2.85Å; V1354-F1427 HydrophobicContact CG2-CE1 3.63Å; V1354-F1427 HydrophobicContact CG2-CZ 4.28Å |
| 1355 | S | 71.2 | Confident | 64.3 | Low | 10 Ų | 10 | 53.9 Ų | 53.9 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 138.6 | 170.7 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | D1357 I1358 G1381 | S1355-D1357 PolarHBondContact O-N 2.97Å; S1355-D1357 PolarHBondContact OG-N 3.48Å; S1355-D1357 PolarHBondContact OG-OD2 3.36Å; S1355-I1358 PolarHBondContact O-N 2.86Å; S1355-G1381 VanDerWaalsContact CB-O 3.26Å; S1355-G1381 WeakPolarHBondContact CB-O 3.23Å |
| 1356 | A | 70.5 | Confident | 63.8 | Low | 14 Ų | 14 | 53.4 Ų | 53.4 | 12% | 0.116 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1354 I1358 R1423 K1425 T1456 | V1354-A1356 PolarHBondContact O-N 3.44Å; A1356-I1358 PolarHBondContact O-N 3.5Å; A1356-R1423 HydrophobicContact CB-CB 3.59Å; A1356-R1423 WeakPolarHBondContact CB-O 3.46Å; A1356-R1423 PolarHBondContact N-O 3.26Å; A1356-K1425 HydrophobicContact CB-CD 4.5Å; A1356-K1425 HydrophobicContact CB-CG 4.1Å; A1356-K1425 WeakPolarHBondContact O-CE 3.42Å; A1356-K1425 PolarHBondContact O-NZ 3.49Å; A1356-T1456 HydrophobicContact CB-CG2 4.37Å |
| 1357 | D | 65.2 | Low | 62.7 | Low | 101 Ų | 101 | 57.2 Ų | 57.2 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -12.5 | -179.5 | -49.4 | -47.6 | 0 | 0 | 0 | 112.3 | S1355 S1359 R1423 | S1355-D1357 PolarHBondContact O-N 2.97Å; S1355-D1357 PolarHBondContact OG-N 3.48Å; S1355-D1357 PolarHBondContact OG-OD2 3.36Å; D1357-S1359 PolarHBondContact O-N 2.93Å; D1357-R1423 IonicContact OD1-CZ 2.71Å; D1357-R1423 IonicContact OD1-NE 3.91Å; D1357-R1423 IonicContact OD1-NH2 3.68Å; D1357-R1423 PolarHBondContact OD1-NH2 3.39Å |
| 1358 | I | 58.2 | Low | 61.5 | Low | 59 Ų | 59 | 58.8 Ų | 58.8 | 30% | 0.303 | 30% | 0.3 | S | S | . | . | trans | -72.1 | 111.5 | 169.1 | -70.8 | 164.4 | 0 | 0 | 0 | 108.6 | V1354 S1355 A1356 R1360 K1425 | V1354-I1358 HydrophobicContact CG1-CB 4.16Å; V1354-I1358 HydrophobicContact CG1-CD1 3.48Å; V1354-I1358 VanDerWaalsContact CG1-CD1 3.48Å; V1354-I1358 HydrophobicContact CG1-CG1 4.38Å; V1354-I1358 HydrophobicContact CG1-CG2 4.35Å; S1355-I1358 PolarHBondContact O-N 2.86Å; A1356-I1358 PolarHBondContact O-N 3.5Å; I1358-R1360 WeakPolarHBondContact CG2-O 3.36Å; I1358-K1425 PolarHBondContact O-NZ 2.86Å | ||
| 1359 | S | 51.3 | Low | 59.9 | Low | 116 Ų | 116 | 60.8 Ų | 60.8 | 81% | 0.811 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -78.3 | -34.6 | -170.8 | 56.9 | 0 | 0 | 0 | 0 | 114 | D1357 | D1357-S1359 PolarHBondContact O-N 2.93Š|
| 1360 | R | 47.5 | Very low | 58.3 | Low | 174 Ų | 174 | 63.3 Ų | 63.3 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -124.8 | 133 | 166.6 | -74.1 | -175.1 | 177.3 | 142.2 | 4.1 | 109.8 | I1358 | I1358-R1360 WeakPolarHBondContact CG2-O 3.36Š|
| 1361 | L | 51.2 | Low | 56.7 | Low | 43 Ų | 43 | 64.9 Ų | 64.9 | 23% | 0.225 | 34% | 0.336 | C | S | . | . | trans | -70.6 | 139 | 157.3 | -82.8 | 156.7 | 0 | 0 | 0 | 108.1 | V1354 D1363 I1365 F1427 F1454 | V1354-L1361 HydrophobicContact CG1-CD2 4.38Å; V1354-L1361 HydrophobicContact CG2-CD2 4.15Å; L1361-D1363 PolarHBondContact O-N 2.97Å; L1361-I1365 HydrophobicContact CD2-CD1 4.36Å; L1361-F1427 HydrophobicContact CD1-CD1 4.15Å; L1361-F1427 HydrophobicContact CD1-CE1 3.57Å; L1361-F1427 HydrophobicContact CD1-CE2 4.48Å; L1361-F1427 HydrophobicContact CD1-CZ 3.77Å; L1361-F1427 HydrophobicContact CD2-CE1 3.81Å; L1361-F1427 HydrophobicContact CD2-CZ 3.68Å; L1361-F1427 HydrophobicContact CG-CE1 4.34Å; L1361-F1427 HydrophobicContact CG-CZ 4.4Å; L1361-F1454 HydrophobicContact CD1-CD1 4.18Å; L1361-F1454 HydrophobicContact CD1-CE1 3.49Å; L1361-F1454 VanDerWaalsContact CD1-CE1 3.49Å; L1361-F1454 HydrophobicContact CD1-CZ 4.12Å | ||
| 1362 | P | 41.3 | Very low | 54.6 | Low | 79 Ų | 79 | 71 Ų | 71 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | trans | -69.1 | 127 | 171.1 | 28.4 | -32.2 | 0 | 0 | 0 | 109.1 | K1364 I1365 | P1362-K1364 CarbonylContact O-C 3.59Å; P1362-K1364 PolarHBondContact O-N 2.89Å; P1362-I1365 HydrophobicContact CG-CG1 4.19Å; P1362-I1365 PolarHBondContact O-N 2.77Å | ||
| 1363 | D | 43.5 | Very low | 52.8 | Low | 150 Ų | 150 | 71.3 Ų | 71.3 | 80% | 0.802 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -54.3 | -25.6 | 176 | -57.4 | -65.4 | 0 | 0 | 0 | 112.3 | L1361 Y1450 | L1361-D1363 PolarHBondContact O-N 2.97Å; D1363-Y1450 PolarHBondContact O-OH 2.9Å |
| 1364 | K | 43 | Very low | 51.1 | Low | 121 Ų | 121 | 75.4 Ų | 75.4 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | trans | -106.3 | 81.6 | 170.4 | -67.3 | -179.2 | 163.2 | -81.4 | 0 | 111.3 | P1362 E1366 | P1362-K1364 CarbonylContact O-C 3.59Å; P1362-K1364 PolarHBondContact O-N 2.89Å; K1364-E1366 HydrophobicContact CB-CB 4.12Å; K1364-E1366 HydrophobicContact CB-CG 3.82Å; K1364-E1366 WeakPolarHBondContact CD-OE2 3.4Å; K1364-E1366 HydrophobicContact CG-CG 4.11Å; K1364-E1366 WeakPolarHBondContact CG-OE1 3.36Å; K1364-E1366 IonicContact NZ-OE1 2.79Å; K1364-E1366 PolarHBondContact NZ-OE1 2.71Å; K1364-E1366 IonicContact NZ-OE2 3.48Å; K1364-E1366 PolarHBondContact NZ-OE2 3.27Å; K1364-E1366 PolarHBondContact O-N 2.62Å | ||
| 1365 | I | 48.3 | Very low | 49.7 | Very low | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.195 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 69.8 | 149 | -49.1 | 176.5 | 0 | 0 | 0 | 107.2 | L1361 P1362 V1370 F1427 | L1361-I1365 HydrophobicContact CD2-CD1 4.36Å; P1362-I1365 HydrophobicContact CG-CG1 4.19Å; P1362-I1365 PolarHBondContact O-N 2.77Å; I1365-V1370 HydrophobicContact CG2-CB 4.44Å; I1365-V1370 HydrophobicContact CG2-CG1 4.4Å; I1365-F1427 HydrophobicContact CD1-CZ 4.17Å |
| 1366 | E | 43.9 | Very low | 49 | Very low | 88 Ų | 88 | 86 Ų | 86 | 41% | 0.411 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -18.4 | 179.8 | -70.7 | -179.3 | -176.9 | 0 | 0 | 112.3 | K1364 K1368 | K1364-E1366 HydrophobicContact CB-CB 4.12Å; K1364-E1366 HydrophobicContact CB-CG 3.82Å; K1364-E1366 WeakPolarHBondContact CD-OE2 3.4Å; K1364-E1366 HydrophobicContact CG-CG 4.11Å; K1364-E1366 WeakPolarHBondContact CG-OE1 3.36Å; K1364-E1366 IonicContact NZ-OE1 2.79Å; K1364-E1366 PolarHBondContact NZ-OE1 2.71Å; K1364-E1366 IonicContact NZ-OE2 3.48Å; K1364-E1366 PolarHBondContact NZ-OE2 3.27Å; K1364-E1366 PolarHBondContact O-N 2.62Å; E1366-K1368 PolarHBondContact O-N 3.19Å; E1366-K1368 VanDerWaalsContact O-N 3.16Å |
| 1367 | N | 38.6 | Very low | 48.4 | Very low | 98 Ų | 98 | 91.7 Ų | 91.7 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | trans | -65.3 | 117.2 | 176.3 | -75 | 24.2 | 0 | 0 | 0 | 110.3 | E1369 V1370 | N1367-E1369 PolarHBondContact ND2-OE2 3Å; N1367-E1369 PolarHBondContact O-N 3.08Å; N1367-V1370 PolarHBondContact O-N 2.71Å | ||
| 1368 | K | 41.1 | Very low | 48.2 | Very low | 67 Ų | 67 | 88.4 Ų | 88.4 | 29% | 0.291 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -58 | -13.2 | 176.5 | -58.4 | 176.9 | -178.2 | 176.4 | 0 | 113.2 | E1366 L1371 H1372 P1568 P1570 | E1366-K1368 PolarHBondContact O-N 3.19Å; E1366-K1368 VanDerWaalsContact O-N 3.16Å; K1368-L1371 WeakPolarHBondContact O-CB 3.43Å; K1368-L1371 PolarHBondContact O-N 3.08Å; K1368-H1372 PolarHBondContact O-CD2 3.29Å; K1368-P1568 PolarHBondContact NZ-O 3.04Å; K1368-P1570 HydrophobicContact CB-CB 3.64Å; K1368-P1570 HydrophobicContact CB-CG 3.55Å; K1368-P1570 HydrophobicContact CD-CB 3.85Å; K1368-P1570 HydrophobicContact CD-CG 3.66Å; K1368-P1570 HydrophobicContact CG-CB 4.21Å; K1368-P1570 HydrophobicContact CG-CG 4.2Å |
| 1369 | E | 41.9 | Very low | 48.4 | Very low | 76 Ų | 76 | 91.5 Ų | 91.5 | 36% | 0.355 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -59.3 | -41.3 | 172.6 | -75.2 | 144.2 | -158 | 0 | 0 | 113.3 | N1367 L1371 H1372 V1572 | N1367-E1369 PolarHBondContact ND2-OE2 3Å; N1367-E1369 PolarHBondContact O-N 3.08Å; E1369-L1371 PolarHBondContact O-N 3.08Å; E1369-H1372 PolarHBondContact O-N 2.65Å; E1369-V1572 HydrophobicContact CG-CG2 4.34Å; E1369-V1572 VanDerWaalsContact OE1-CA 3.24Å; E1369-V1572 WeakPolarHBondContact OE1-CA 3.26Å; E1369-V1572 PolarHBondContact OE1-N 3.06Å; E1369-V1572 VanDerWaalsContact OE1-N 3.11Å |
| 1370 | V | 49.3 | Very low | 48.6 | Very low | 52 Ų | 52 | 91.1 Ų | 91.1 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -69 | -17.1 | 178.6 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | I1365 N1367 H1372 P1383 | I1365-V1370 HydrophobicContact CG2-CB 4.44Å; I1365-V1370 HydrophobicContact CG2-CG1 4.4Å; N1367-V1370 PolarHBondContact O-N 2.71Å; V1370-H1372 VanDerWaalsContact C-N 3.32Å; V1370-H1372 PolarHBondContact O-N 3.16Å; V1370-P1383 HydrophobicContact CG1-CG 4.49Å |
| 1371 | L | 49.9 | Very low | 49.2 | Very low | 67 Ų | 67 | 83.9 Ų | 83.9 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -81.5 | -3.3 | 177.5 | -74.9 | 161.6 | 0 | 0 | 0 | 114 | W1350 K1368 E1369 A1373 F1413 | W1350-L1371 HydrophobicContact CH2-CD2 3.82Å; W1350-L1371 HydrophobicContact CZ2-CD2 4.44Å; W1350-L1371 HydrophobicContact CZ3-CD2 4.2Å; K1368-L1371 WeakPolarHBondContact O-CB 3.43Å; K1368-L1371 PolarHBondContact O-N 3.08Å; E1369-L1371 PolarHBondContact O-N 3.08Å; L1371-A1373 PolarHBondContact O-N 3.47Å; L1371-F1413 HydrophobicContact CD2-CE1 4.08Å; L1371-F1413 HydrophobicContact CD2-CZ 3.84Å |
| 1372 | H | 44.7 | Very low | 49.8 | Very low | 127 Ų | 127 | 85.1 Ų | 85.1 | 59% | 0.588 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -73.7 | -4.6 | 177 | -83.1 | -89.7 | 0 | 0 | 0 | 115 | K1368 E1369 V1370 K1374 | K1368-H1372 PolarHBondContact O-CD2 3.29Å; E1369-H1372 PolarHBondContact O-N 2.65Å; V1370-H1372 VanDerWaalsContact C-N 3.32Å; V1370-H1372 PolarHBondContact O-N 3.16Å; H1372-K1374 PolarHBondContact O-N 2.68Å |
| 1373 | A | 45 | Very low | 51.4 | Low | 14 Ų | 14 | 83.7 Ų | 83.7 | 12% | 0.116 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -66.1 | 9.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1371 T1375 | L1371-A1373 PolarHBondContact O-N 3.47Å; A1373-T1375 VanDerWaalsContact C-N 3.31Å; A1373-T1375 PolarHBondContact O-N 2.83Å |
| 1374 | K | 50.3 | Low | 53.1 | Low | 86 Ų | 86 | 77 Ų | 77 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -66 | -28.1 | 176.3 | -65.1 | -160.5 | -179.7 | -169.6 | 0 | 113.4 | H1372 R1409 D1412 | H1372-K1374 PolarHBondContact O-N 2.68Å; K1374-R1409 PolarHBondContact O-NH2 2.8Å; K1374-D1412 HydrophobicContact CD-CB 4.11Å; K1374-D1412 WeakPolarHBondContact CG-O 3.47Å; K1374-D1412 IonicContact NZ-OD2 2.67Å; K1374-D1412 PolarHBondContact NZ-OD2 2.9Å |
| 1375 | T | 48.3 | Very low | 55 | Low | 96 Ų | 96 | 71.6 Ų | 71.6 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.9 | -5.8 | -172.1 | 46.2 | 0 | 0 | 0 | 0 | 116.4 | A1373 | A1373-T1375 VanDerWaalsContact C-N 3.31Å; A1373-T1375 PolarHBondContact O-N 2.83Å |
| 1376 | H | 55.6 | Low | 56.7 | Low | 140 Ų | 140 | 69.8 Ų | 69.8 | 65% | 0.648 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -125.1 | 143.7 | -175.8 | -65 | -26.7 | 0 | 0 | 0 | 112.2 | F1416 | H1376-F1416 WeakPolarHBondContact O-CZ 3.32Š|
| 1377 | H | 59.2 | Low | 58.8 | Low | 133 Ų | 133 | 65.6 Ų | 65.6 | 62% | 0.616 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 125.3 | 179.3 | -122.3 | -72.6 | 0 | 0 | 0 | 109.4 | F1416 | H1377-F1416 HydrophobicContact CB-CE1 4.37Å; H1377-F1416 AromaticContact CD2-CD1 3.83Å; H1377-F1416 AromaticContact CE1-CD1 3.59Å; H1377-F1416 AromaticContact CG-CD1 3.71Å; H1377-F1416 AromaticContact CG-CE1 3.94Å; H1377-F1416 AromaticContact ND1-CD1 3.56Å; H1377-F1416 AromaticContact NE2-CD1 3.76Å |
| 1378 | P | 61 | Low | 61.1 | Low | 33 Ų | 33 | 65.7 Ų | 65.7 | 21% | 0.214 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 149.5 | 174.4 | 25 | -33 | 0 | 0 | 0 | 110.8 | D1382 Y1384 F1416 | P1378-D1382 HydrophobicContact CB-CB 3.98Å; P1378-Y1384 HydrophobicContact CB-CD1 4.4Å; P1378-Y1384 HydrophobicContact CG-CD1 3.87Å; P1378-Y1384 HydrophobicContact CG-CE1 4.39Å; P1378-Y1384 HydrophobicContact CG-CG 4.03Å; P1378-F1416 VanDerWaalsContact CD-CE2 3.49Å; P1378-F1416 HydrophobicContact CG-CB 4.32Å; P1378-F1416 HydrophobicContact CG-CD2 3.78Å; P1378-F1416 HydrophobicContact CG-CE2 4.33Å; P1378-F1416 HydrophobicContact CG-CG 4.14Å |
| 1379 | L | 61.4 | Low | 63.3 | Low | 123 Ų | 123 | 62.8 Ų | 62.8 | 64% | 0.644 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 159.1 | 174.3 | -59.5 | 173.1 | 0 | 0 | 0 | 110.3 | G1381 D1382 | L1379-G1381 VanDerWaalsContact C-N 3.32Å; L1379-G1381 PolarHBondContact O-N 2.83Å; L1379-D1382 WeakPolarHBondContact CA-OD2 3.45Å; L1379-D1382 VanDerWaalsContact CB-OD2 3.23Å; L1379-D1382 WeakPolarHBondContact CB-OD2 3.39Å; L1379-D1382 PolarHBondContact N-OD2 2.99Å; L1379-D1382 PolarHBondContact O-N 3.1Å; L1379-D1382 VanDerWaalsContact O-N 3.1Å |
| 1380 | P | 55.4 | Low | 65.2 | Low | 109 Ų | 109 | 60.9 Ų | 60.9 | 71% | 0.708 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 83.3 | -178.6 | -24.3 | 36.6 | 0 | 0 | 0 | 114 | ||
| 1381 | G | 59.9 | Low | 66.5 | Low | 21 Ų | 21 | 61.8 Ų | 61.8 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 145.4 | -20.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1355 L1379 | S1355-G1381 VanDerWaalsContact CB-O 3.26Å; S1355-G1381 WeakPolarHBondContact CB-O 3.23Å; L1379-G1381 VanDerWaalsContact C-N 3.32Å; L1379-G1381 PolarHBondContact O-N 2.83Å |
| 1382 | D | 64.9 | Low | 67.9 | Low | 69 Ų | 69 | 63.5 Ų | 63.5 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | trans | -64.8 | 145.3 | -173 | -63.9 | -14.2 | 0 | 0 | 0 | 113 | P1378 L1379 | P1378-D1382 HydrophobicContact CB-CB 3.98Å; L1379-D1382 WeakPolarHBondContact CA-OD2 3.45Å; L1379-D1382 VanDerWaalsContact CB-OD2 3.23Å; L1379-D1382 WeakPolarHBondContact CB-OD2 3.39Å; L1379-D1382 PolarHBondContact N-OD2 2.99Å; L1379-D1382 PolarHBondContact O-N 3.1Å; L1379-D1382 VanDerWaalsContact O-N 3.1Å | ||
| 1383 | P | 73.8 | Confident | 69.9 | Low | 50 Ų | 50 | 61.3 Ų | 61.3 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | trans | -69.7 | 132.3 | 167.4 | 30.2 | -33.9 | 0 | 0 | 0 | 111.2 | V1353 V1354 V1370 | V1353-P1383 CarbonylContact O-C 3.45Å; V1353-P1383 WeakPolarHBondContact O-CA 3.2Å; V1354-P1383 HydrophobicContact CB-CB 4.38Å; V1354-P1383 HydrophobicContact CG1-CB 4.16Å; V1354-P1383 HydrophobicContact CG2-CB 3.72Å; V1370-P1383 HydrophobicContact CG1-CG 4.49Å | ||
| 1384 | Y | 78.8 | Confident | 71.8 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155.8 | 173 | 74.5 | -81.8 | 0 | 0 | 0 | 112.6 | V1353 P1378 A1386 F1416 | V1353-Y1384 HydrophobicContact CB-CD1 4.05Å; V1353-Y1384 HydrophobicContact CB-CE1 3.6Å; V1353-Y1384 HydrophobicContact CB-CE2 4.42Å; V1353-Y1384 HydrophobicContact CG1-CD1 4.4Å; V1353-Y1384 HydrophobicContact CG1-CE1 3.63Å; V1353-Y1384 HydrophobicContact CG2-CE1 4.29Å; V1353-Y1384 HydrophobicContact CG2-CE2 4.36Å; V1353-Y1384 PolarHBondContact N-O 3.18Å; V1353-Y1384 PolarHBondContact O-N 3.18Å; P1378-Y1384 HydrophobicContact CB-CD1 4.4Å; P1378-Y1384 HydrophobicContact CG-CD1 3.87Å; P1378-Y1384 HydrophobicContact CG-CE1 4.39Å; P1378-Y1384 HydrophobicContact CG-CG 4.03Å; Y1384-A1386 HydrophobicContact CD2-CB 4.49Å; Y1384-A1386 HydrophobicContact CE2-CB 3.91Å; Y1384-F1416 AromaticContact CD2-CD2 3.85Å; Y1384-F1416 HydrophobicContact CD2-CD2 3.85Å; Y1384-F1416 HydrophobicContact CE2-CB 4.24Å; Y1384-F1416 AromaticContact CE2-CD2 3.99Å; Y1384-F1416 HydrophobicContact CE2-CD2 3.99Å; Y1384-F1416 HydrophobicContact CG-CD2 4.45Å; Y1384-F1416 PolarHBondContact OH-O 2.73Å |
| 1385 | V | 83.1 | Confident | 73.2 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121.8 | 170.5 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | W1350 L1351 I1352 A1387 F1413 | W1350-V1385 HydrophobicContact CB-CG1 4.04Å; W1350-V1385 HydrophobicContact CE3-CG2 4.2Å; W1350-V1385 HydrophobicContact CG-CG1 4.26Å; L1351-V1385 CarbonylContact O-C 3.54Å; L1351-V1385 WeakPolarHBondContact O-CA 3.18Å; L1351-V1385 WeakPolarHBondContact O-CG1 3.4Å; I1352-V1385 HydrophobicContact CG1-CG2 4.35Å; V1385-A1387 WeakPolarHBondContact CG1-O 3.22Å; V1385-F1413 HydrophobicContact CB-CB 4.38Å; V1385-F1413 HydrophobicContact CB-CD1 3.72Å; V1385-F1413 HydrophobicContact CB-CD2 4.09Å; V1385-F1413 HydrophobicContact CB-CE1 3.92Å; V1385-F1413 HydrophobicContact CB-CE2 4.27Å; V1385-F1413 HydrophobicContact CB-CG 3.81Å; V1385-F1413 HydrophobicContact CB-CZ 4.17Å; V1385-F1413 HydrophobicContact CG1-CB 4.28Å; V1385-F1413 HydrophobicContact CG1-CD1 4.15Å; V1385-F1413 HydrophobicContact CG1-CD2 3.56Å; V1385-F1413 HydrophobicContact CG1-CE1 4.35Å; V1385-F1413 HydrophobicContact CG1-CE2 3.79Å; V1385-F1413 HydrophobicContact CG1-CG 3.74Å; V1385-F1413 HydrophobicContact CG1-CZ 4.18Å; V1385-F1413 HydrophobicContact CG2-CD1 4.4Å; V1385-F1413 HydrophobicContact CG2-CE1 4.09Å; V1385-F1413 HydrophobicContact CG2-CZ 4.2Å; V1385-F1413 WeakPolarHBondContact O-CB 3.43Å |
| 1386 | A | 85.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -26.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1351 V1353 Y1384 L1404 N1415 | L1351-A1386 HydrophobicContact CD2-CB 4.13Å; L1351-A1386 HydrophobicContact CG-CB 4.27Å; L1351-A1386 PolarHBondContact O-N 3.11Å; V1353-A1386 HydrophobicContact CG2-CB 3.87Å; Y1384-A1386 HydrophobicContact CD2-CB 4.49Å; Y1384-A1386 HydrophobicContact CE2-CB 3.91Å; A1386-L1404 HydrophobicContact CB-CD1 3.8Å; A1386-N1415 HydrophobicContact CB-CB 4.47Å |
| 1387 | A | 87.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 144.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | W1350 L1351 V1385 L1389 F1402 Y1410 | W1350-A1387 WeakPolarHBondContact CA-O 3.23Å; L1351-A1387 HydrophobicContact CB-CB 4.1Å; L1351-A1387 HydrophobicContact CD2-CB 4.31Å; L1351-A1387 PolarHBondContact N-O 3.33Å; V1385-A1387 WeakPolarHBondContact CG1-O 3.22Å; A1387-L1389 HydrophobicContact CB-CD1 4.35Å; A1387-L1389 HydrophobicContact CB-CD2 4Å; A1387-L1389 HydrophobicContact CB-CG 3.91Å; A1387-F1402 HydrophobicContact CB-CE2 3.9Å; A1387-F1402 HydrophobicContact CB-CZ 3.85Å; A1387-Y1410 HydrophobicContact CB-CD2 4.45Å; A1387-Y1410 HydrophobicContact CB-CG 4.01Å |
| 1388 | R | 86.6 | Confident | 77.2 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.9 | 151.6 | 177.1 | 171.9 | 68.5 | 141 | -5.6 | 107.8 | Y1348 Y1349 Y1410 D1412 F1413 | Y1348-R1388 HydrophobicContact CD2-CG 4.38Å; Y1348-R1388 HydrophobicContact CG-CG 4.48Å; Y1349-R1388 WeakPolarHBondContact O-CA 3.25Å; R1388-Y1410 PolarHBondContact N-O 3.04Å; R1388-D1412 IonicContact CZ-OD1 3.15Å; R1388-D1412 IonicContact NE-OD1 2.68Å; R1388-D1412 IonicContact NH2-OD1 2.82Å; R1388-D1412 PolarHBondContact NH2-OD1 3.03Å; R1388-F1413 HydrophobicContact CB-CD2 3.88Å; R1388-F1413 HydrophobicContact CB-CE2 4.06Å |
| 1389 | L | 86.3 | Confident | 78 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.3 | -179.7 | -57 | 174.2 | 0 | 0 | 0 | 108.5 | L1336 Y1349 A1387 D1393 I1394 F1402 Y1410 | L1336-L1389 HydrophobicContact CD1-CD1 3.56Å; Y1349-L1389 PolarHBondContact N-O 3.3Å; Y1349-L1389 PolarHBondContact O-N 3.18Å; A1387-L1389 HydrophobicContact CB-CD1 4.35Å; A1387-L1389 HydrophobicContact CB-CD2 4Å; A1387-L1389 HydrophobicContact CB-CG 3.91Å; L1389-D1393 HydrophobicContact CB-CB 3.92Å; L1389-D1393 HydrophobicContact CD2-CB 4.02Å; L1389-I1394 HydrophobicContact CB-CD1 4.39Å; L1389-I1394 HydrophobicContact CB-CG1 3.87Å; L1389-I1394 HydrophobicContact CD1-CD1 4.46Å; L1389-I1394 HydrophobicContact CD1-CG1 3.87Å; L1389-F1402 HydrophobicContact CD1-CD2 4.38Å; L1389-F1402 HydrophobicContact CD2-CE2 4.48Å; L1389-Y1410 HydrophobicContact CD2-CD1 4.4Å |
| 1390 | S | 81.5 | Confident | 78.8 | Confident | 37 Ų | 37 | 59 Ų | 59 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | trans | -71.1 | 174 | 163.6 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | D1392 D1393 I1394 | S1390-D1392 PolarHBondContact O-N 3.45Å; S1390-D1392 PolarHBondContact OG-N 2.59Å; S1390-D1393 VanDerWaalsContact CB-OD2 3.28Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.42Å; S1390-D1393 PolarHBondContact N-OD2 2.83Å; S1390-D1393 PolarHBondContact O-N 3.02Å; S1390-D1393 PolarHBondContact OG-N 3.39Å; S1390-D1393 PolarHBondContact OG-OD2 2.71Å; S1390-I1394 PolarHBondContact O-N 3.49Å | ||
| 1391 | R | 77.7 | Confident | 80.3 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 27% | 0.268 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 170.1 | -168.8 | 180 | -177.8 | -137 | -3.3 | 111.1 | A1338 A1339 E1341 Y1349 I1394 L1395 | A1338-R1391 HydrophobicContact CB-CG 4.27Å; A1339-R1391 PolarHBondContact O-NE 2.77Å; A1339-R1391 PolarHBondContact O-NH2 3.13Å; E1341-R1391 VanDerWaalsContact CG-NH2 3.29Å; E1341-R1391 IonicContact OE1-CZ 3.08Å; E1341-R1391 IonicContact OE1-NH1 3.95Å; E1341-R1391 PolarHBondContact OE1-NH1 2.99Å; E1341-R1391 IonicContact OE1-NH2 3.73Å; Y1349-R1391 HydrophobicContact CE2-CB 4.06Å; Y1349-R1391 HydrophobicContact CE2-CG 4.47Å; R1391-I1394 PolarHBondContact O-N 2.9Å; R1391-L1395 HydrophobicContact CG-CD1 4.12Å; R1391-L1395 VanDerWaalsContact O-CG 3.31Å; R1391-L1395 WeakPolarHBondContact O-CG 3.44Å; R1391-L1395 PolarHBondContact O-N 2.78Å |
| 1392 | D | 79.4 | Confident | 81.8 | Confident | 103 Ų | 103 | 54.6 Ų | 54.6 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.6 | -36 | 179 | -61.9 | -28.3 | 0 | 0 | 0 | 111.8 | S1390 I1394 L1395 N1396 | S1390-D1392 PolarHBondContact O-N 3.45Å; S1390-D1392 PolarHBondContact OG-N 2.59Å; D1392-I1394 VanDerWaalsContact C-N 3.33Å; D1392-I1394 PolarHBondContact O-N 2.83Å; D1392-L1395 PolarHBondContact O-N 3.13Å; D1392-N1396 VanDerWaalsContact O-CB 3.3Å; D1392-N1396 WeakPolarHBondContact O-CB 3.34Å; D1392-N1396 VanDerWaalsContact O-CG 3.31Å; D1392-N1396 PolarHBondContact O-N 3.02Å; D1392-N1396 PolarHBondContact O-ND2 2.8Å |
| 1393 | D | 86.1 | Confident | 83 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 43% | 0.428 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 174.6 | -68.6 | -60.2 | 0 | 0 | 0 | 111.6 | L1389 S1390 N1396 L1397 | L1389-D1393 HydrophobicContact CB-CB 3.92Å; L1389-D1393 HydrophobicContact CD2-CB 4.02Å; S1390-D1393 VanDerWaalsContact CB-OD2 3.28Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.42Å; S1390-D1393 PolarHBondContact N-OD2 2.83Å; S1390-D1393 PolarHBondContact O-N 3.02Å; S1390-D1393 PolarHBondContact OG-N 3.39Å; S1390-D1393 PolarHBondContact OG-OD2 2.71Å; D1393-N1396 PolarHBondContact O-N 2.85Å; D1393-L1397 PolarHBondContact O-N 2.83Å |
| 1394 | I | 84.7 | Confident | 83.8 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 176.3 | -61.3 | 179.8 | 0 | 0 | 0 | 111 | L1336 A1338 Y1349 L1389 S1390 R1391 D1392 N1396 L1397 L1428 | L1336-I1394 HydrophobicContact CB-CG2 4.2Å; A1338-I1394 HydrophobicContact CB-CB 4.21Å; A1338-I1394 HydrophobicContact CB-CG2 3.9Å; Y1349-I1394 HydrophobicContact CD1-CD1 3.88Å; Y1349-I1394 HydrophobicContact CD2-CD1 3.58Å; Y1349-I1394 HydrophobicContact CE1-CD1 4.25Å; Y1349-I1394 HydrophobicContact CE2-CD1 4.02Å; Y1349-I1394 HydrophobicContact CG-CD1 3.53Å; L1389-I1394 HydrophobicContact CB-CD1 4.39Å; L1389-I1394 HydrophobicContact CB-CG1 3.87Å; L1389-I1394 HydrophobicContact CD1-CD1 4.46Å; L1389-I1394 HydrophobicContact CD1-CG1 3.87Å; S1390-I1394 PolarHBondContact O-N 3.49Å; R1391-I1394 PolarHBondContact O-N 2.9Å; D1392-I1394 VanDerWaalsContact C-N 3.33Å; D1392-I1394 PolarHBondContact O-N 2.83Å; I1394-N1396 PolarHBondContact O-N 3.45Å; I1394-L1397 WeakPolarHBondContact O-CB 3.5Å; I1394-L1397 PolarHBondContact O-N 2.69Å; I1394-L1397 VanDerWaalsContact O-N 3.11Å; I1394-L1428 HydrophobicContact CD1-CD2 4.06Å |
| 1395 | L | 80.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 50.5 Ų | 50.5 | 56% | 0.555 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.4 | -25.5 | 177.7 | -69.5 | 171.1 | 0 | 0 | 0 | 113 | A1338 R1391 D1392 | A1338-L1395 HydrophobicContact CB-CD2 4Å; A1338-L1395 HydrophobicContact CB-CG 4.09Å; R1391-L1395 HydrophobicContact CG-CD1 4.12Å; R1391-L1395 VanDerWaalsContact O-CG 3.31Å; R1391-L1395 WeakPolarHBondContact O-CG 3.44Å; R1391-L1395 PolarHBondContact O-N 2.78Å; D1392-L1395 PolarHBondContact O-N 3.13Å |
| 1396 | N | 83.4 | Confident | 84.4 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 72% | 0.717 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.8 | 174.3 | -73.6 | -58.5 | 0 | 0 | 0 | 113.9 | D1392 D1393 I1394 K1398 | D1392-N1396 VanDerWaalsContact O-CB 3.3Å; D1392-N1396 WeakPolarHBondContact O-CB 3.34Å; D1392-N1396 VanDerWaalsContact O-CG 3.31Å; D1392-N1396 PolarHBondContact O-N 3.02Å; D1392-N1396 PolarHBondContact O-ND2 2.8Å; D1393-N1396 PolarHBondContact O-N 2.85Å; I1394-N1396 PolarHBondContact O-N 3.45Å; N1396-K1398 PolarHBondContact O-N 2.74Å |
| 1397 | L | 84.4 | Confident | 84.2 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -69.7 | 121.7 | 171.4 | -70.5 | 175.5 | 0 | 0 | 0 | 110.2 | L1336 D1393 I1394 D1399 G1400 F1402 | L1336-L1397 HydrophobicContact CB-CD1 4.38Å; L1336-L1397 HydrophobicContact CD1-CD1 3.93Å; L1336-L1397 HydrophobicContact CG-CD1 4.4Å; D1393-L1397 PolarHBondContact O-N 2.83Å; I1394-L1397 WeakPolarHBondContact O-CB 3.5Å; I1394-L1397 PolarHBondContact O-N 2.69Å; I1394-L1397 VanDerWaalsContact O-N 3.11Å; L1397-D1399 PolarHBondContact O-N 3.07Å; L1397-D1399 VanDerWaalsContact O-N 3.15Å; L1397-G1400 PolarHBondContact O-N 3.34Å; L1397-F1402 HydrophobicContact CD1-CB 4.05Å; L1397-F1402 HydrophobicContact CD1-CD2 4.36Å; L1397-F1402 HydrophobicContact CD2-CD2 4.38Å |
| 1398 | K | 80 | Confident | 84.2 | Confident | 167 Ų | 167 | 58.3 Ų | 58.3 | 73% | 0.726 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -56.1 | 121.3 | 177.1 | -177.2 | -179.8 | 175.3 | -176.6 | 0 | 110.6 | N1396 G1400 T1401 | N1396-K1398 PolarHBondContact O-N 2.74Å; K1398-G1400 PolarHBondContact O-N 3.01Å; K1398-G1400 VanDerWaalsContact O-N 3.14Å; K1398-T1401 VanDerWaalsContact O-CB 3.29Å; K1398-T1401 WeakPolarHBondContact O-CB 3.5Å; K1398-T1401 PolarHBondContact O-N 2.67Å; K1398-T1401 PolarHBondContact O-OG1 3.41Å |
| 1399 | D | 76.2 | Confident | 84 | Confident | 113 Ų | 113 | 61 Ų | 61 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | 54.4 | 28.2 | -178.1 | -47.1 | -45.7 | 0 | 0 | 0 | 113.3 | R1335 L1397 T1401 | R1335-D1399 PolarHBondContact NE-O 3.38Å; L1397-D1399 PolarHBondContact O-N 3.07Å; L1397-D1399 VanDerWaalsContact O-N 3.15Å; D1399-T1401 PolarHBondContact O-N 3.11Å; D1399-T1401 PolarHBondContact O-OG1 2.99Å |
| 1400 | G | 78 | Confident | 83.8 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | 67.8 | 8.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1335 L1336 L1397 K1398 | R1335-G1400 CarbonylContact C-O 3.52Å; R1335-G1400 WeakPolarHBondContact CA-O 3.29Å; L1336-G1400 PolarHBondContact N-O 2.71Å; L1397-G1400 PolarHBondContact O-N 3.34Å; K1398-G1400 PolarHBondContact O-N 3.01Å; K1398-G1400 VanDerWaalsContact O-N 3.14Å |
| 1401 | T | 88 | Confident | 83.5 | Confident | 35 Ų | 35 | 64 Ų | 64 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.1 | -163.4 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | I1324 R1333 I1334 K1398 D1399 | I1324-T1401 HydrophobicContact CD1-CG2 3.73Å; I1324-T1401 WeakPolarHBondContact CD1-OG1 3.25Å; R1333-T1401 HydrophobicContact CB-CG2 4.03Å; R1333-T1401 HydrophobicContact CG-CG2 4.2Å; I1334-T1401 CarbonylContact O-C 3.57Å; I1334-T1401 WeakPolarHBondContact O-CA 3.42Å; K1398-T1401 VanDerWaalsContact O-CB 3.29Å; K1398-T1401 WeakPolarHBondContact O-CB 3.5Å; K1398-T1401 PolarHBondContact O-N 2.67Å; K1398-T1401 PolarHBondContact O-OG1 3.41Å; D1399-T1401 PolarHBondContact O-N 3.11Å; D1399-T1401 PolarHBondContact O-OG1 2.99Å |
| 1402 | F | 91.1 | Very high | 83.2 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 146.8 | 168.9 | -171.6 | -88.3 | 0 | 0 | 0 | 110.1 | I1334 L1336 L1351 A1387 L1389 L1397 L1404 Y1410 | I1334-F1402 HydrophobicContact CD1-CD1 4.15Å; I1334-F1402 HydrophobicContact CG1-CB 3.97Å; I1334-F1402 HydrophobicContact CG1-CD1 4.27Å; I1334-F1402 PolarHBondContact N-O 2.73Å; I1334-F1402 PolarHBondContact O-N 3.2Å; I1334-F1402 VanDerWaalsContact O-O 3.13Å; L1336-F1402 HydrophobicContact CD1-CB 3.83Å; L1336-F1402 HydrophobicContact CD1-CD2 4.36Å; L1336-F1402 HydrophobicContact CD1-CG 4.2Å; L1336-F1402 HydrophobicContact CG-CB 4.11Å; L1351-F1402 HydrophobicContact CD2-CD1 3.55Å; L1351-F1402 HydrophobicContact CD2-CD2 4.45Å; L1351-F1402 HydrophobicContact CD2-CE1 3.4Å; L1351-F1402 VanDerWaalsContact CD2-CE1 3.4Å; L1351-F1402 HydrophobicContact CD2-CE2 4.33Å; L1351-F1402 HydrophobicContact CD2-CG 4.1Å; L1351-F1402 HydrophobicContact CD2-CZ 3.83Å; A1387-F1402 HydrophobicContact CB-CE2 3.9Å; A1387-F1402 HydrophobicContact CB-CZ 3.85Å; L1389-F1402 HydrophobicContact CD1-CD2 4.38Å; L1389-F1402 HydrophobicContact CD2-CE2 4.48Å; L1397-F1402 HydrophobicContact CD1-CB 4.05Å; L1397-F1402 HydrophobicContact CD1-CD2 4.36Å; L1397-F1402 HydrophobicContact CD2-CD2 4.38Å; F1402-L1404 HydrophobicContact CD1-CD1 4.41Å; F1402-L1404 HydrophobicContact CE1-CD1 4.08Å; F1402-Y1410 HydrophobicContact CD2-CE1 4.43Å; F1402-Y1410 HydrophobicContact CE1-CE2 4.45Å; F1402-Y1410 AromaticContact CE2-CD1 3.7Å; F1402-Y1410 HydrophobicContact CE2-CD1 3.7Å; F1402-Y1410 AromaticContact CE2-CD2 3.82Å; F1402-Y1410 HydrophobicContact CE2-CD2 3.82Å; F1402-Y1410 AromaticContact CE2-CE1 3.64Å; F1402-Y1410 HydrophobicContact CE2-CE1 3.64Å; F1402-Y1410 AromaticContact CE2-CE2 3.76Å; F1402-Y1410 HydrophobicContact CE2-CE2 3.76Å; F1402-Y1410 AromaticContact CE2-CG 3.78Å; F1402-Y1410 HydrophobicContact CE2-CG 3.78Å; F1402-Y1410 AromaticContact CE2-CZ 3.66Å; F1402-Y1410 HydrophobicContact CZ-CD1 4.3Å; F1402-Y1410 AromaticContact CZ-CD2 3.54Å; F1402-Y1410 HydrophobicContact CZ-CD2 3.54Å; F1402-Y1410 HydrophobicContact CZ-CE1 4.26Å; F1402-Y1410 AromaticContact CZ-CE2 3.48Å; F1402-Y1410 HydrophobicContact CZ-CE2 3.48Å; F1402-Y1410 VanDerWaalsContact CZ-CE2 3.48Å; F1402-Y1410 AromaticContact CZ-CG 3.96Å; F1402-Y1410 HydrophobicContact CZ-CG 3.96Å; F1402-Y1410 AromaticContact CZ-CZ 3.86Å |
| 1403 | V | 91.1 | Very high | 83.2 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 106.7 | 175 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | V1327 A1332 R1333 N1406 N1415 | V1327-V1403 HydrophobicContact CG2-CG1 4.43Å; A1332-V1403 CarbonylContact O-C 3.47Å; R1333-V1403 HydrophobicContact CG-CG2 4.42Å; V1403-N1406 HydrophobicContact CB-CB 4.44Å; V1403-N1406 HydrophobicContact CG1-CB 4.1Å; V1403-N1406 PolarHBondContact O-ND2 3Å; V1403-N1415 PolarHBondContact O-ND2 3.31Å |
| 1404 | L | 89.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 138.7 | 176.6 | -157.3 | 72.7 | 0 | 0 | 0 | 110.6 | E1331 A1332 I1334 L1351 V1353 A1386 F1402 L1418 V1426 L1457 | E1331-L1404 VanDerWaalsContact CA-O 3.27Å; E1331-L1404 WeakPolarHBondContact CA-O 3.45Å; A1332-L1404 PolarHBondContact N-O 3.41Å; A1332-L1404 PolarHBondContact O-N 2.95Å; I1334-L1404 HydrophobicContact CD1-CB 4.33Å; I1334-L1404 HydrophobicContact CD1-CD1 4.1Å; L1351-L1404 HydrophobicContact CD2-CD1 3.93Å; L1351-L1404 HydrophobicContact CG-CD1 4.48Å; V1353-L1404 HydrophobicContact CG2-CD1 3.69Å; V1353-L1404 HydrophobicContact CG2-CD2 3.92Å; V1353-L1404 HydrophobicContact CG2-CG 4.21Å; A1386-L1404 HydrophobicContact CB-CD1 3.8Å; F1402-L1404 HydrophobicContact CD1-CD1 4.41Å; F1402-L1404 HydrophobicContact CE1-CD1 4.08Å; L1404-L1418 HydrophobicContact CD2-CD1 4.25Å; L1404-L1418 HydrophobicContact CD2-CD2 4.25Å; L1404-L1418 HydrophobicContact CG-CD2 4.47Å; L1404-V1426 HydrophobicContact CD2-CG1 4.28Å; L1404-V1426 HydrophobicContact CD2-CG2 3.68Å; L1404-L1457 HydrophobicContact CD2-CD1 3.83Å |
| 1405 | G | 86.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 6.3 | 178 | 0 | 0 | 0 | 0 | 0 | 116.6 | G1407 N1415 F1416 P1417 | G1405-G1407 VanDerWaalsContact C-N 3.26Å; G1405-G1407 PolarHBondContact O-N 3.46Å; G1405-N1415 CarbonylContact C-O 3.56Å; G1405-N1415 PolarHBondContact N-ND2 2.88Å; G1405-N1415 PolarHBondContact N-OD1 2.85Å; G1405-F1416 WeakPolarHBondContact CA-O 3.4Å; G1405-P1417 VanDerWaalsContact O-CA 3.26Å; G1405-P1417 WeakPolarHBondContact O-CA 3.41Å |
| 1406 | N | 88.3 | Confident | 83.3 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -78.7 | 1.8 | -171.9 | 73 | 6.2 | 0 | 0 | 0 | 115.7 | V1403 L1408 Y1410 N1415 | V1403-N1406 HydrophobicContact CB-CB 4.44Å; V1403-N1406 HydrophobicContact CG1-CB 4.1Å; V1403-N1406 PolarHBondContact O-ND2 3Å; N1406-L1408 PolarHBondContact O-N 3.06Å; N1406-L1408 WeakPolarHBondContact OD1-CB 3.49Å; N1406-L1408 PolarHBondContact OD1-N 2.76Å; N1406-Y1410 PolarHBondContact ND2-OH 3.08Å; N1406-N1415 VanDerWaalsContact CG-ND2 3.29Å; N1406-N1415 PolarHBondContact N-ND2 3.21Å; N1406-N1415 PolarHBondContact N-O 3.34Å; N1406-N1415 PolarHBondContact OD1-ND2 3.43Å |
| 1407 | G | 82.3 | Confident | 83.3 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | trans | 72.9 | 0.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1405 N1415 | G1405-G1407 VanDerWaalsContact C-N 3.26Å; G1405-G1407 PolarHBondContact O-N 3.46Å; G1407-N1415 WeakPolarHBondContact CA-O 3.22Å; G1407-N1415 PolarHBondContact N-O 3.01Å | ||
| 1408 | L | 86.2 | Confident | 83.2 | Confident | 99 Ų | 99 | 46 Ų | 46 | 52% | 0.518 | 25% | 0.253 | S | S | . | . | trans | -80.8 | 159.7 | 179.7 | -57.4 | -178.5 | 0 | 0 | 0 | 112.2 | N1406 Y1410 N1415 | N1406-L1408 PolarHBondContact O-N 3.06Å; N1406-L1408 WeakPolarHBondContact OD1-CB 3.49Å; N1406-L1408 PolarHBondContact OD1-N 2.76Å; L1408-Y1410 HydrophobicContact CB-CD2 4.46Å; L1408-Y1410 HydrophobicContact CB-CE2 3.78Å; L1408-N1415 VanDerWaalsContact O-CB 3.31Å; L1408-N1415 WeakPolarHBondContact O-CB 3.49Å; L1408-N1415 PolarHBondContact O-N 3.38Å | ||
| 1409 | R | 81.9 | Confident | 83 | Confident | 155 Ų | 155 | 40.7 Ų | 40.7 | 59% | 0.585 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 140.2 | 170.3 | -90 | -175.6 | 163.6 | -173.6 | -5.2 | 111.5 | K1374 F1413 T1414 | K1374-R1409 PolarHBondContact O-NH2 2.8Å; R1409-F1413 CarbonylContact C-O 3.44Å; R1409-F1413 VanDerWaalsContact CA-O 3.23Å; R1409-F1413 WeakPolarHBondContact CA-O 3.42Å; R1409-T1414 HydrophobicContact CG-CG2 4.38Å; R1409-T1414 WeakPolarHBondContact CG-OG1 3.35Å |
| 1410 | Y | 82.7 | Confident | 82.7 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 103.8 | 177.9 | -67.8 | -85.1 | 0 | 0 | 0 | 109.6 | A1387 R1388 L1389 F1402 N1406 L1408 F1413 N1415 | A1387-Y1410 HydrophobicContact CB-CD2 4.45Å; A1387-Y1410 HydrophobicContact CB-CG 4.01Å; R1388-Y1410 PolarHBondContact N-O 3.04Å; L1389-Y1410 HydrophobicContact CD2-CD1 4.4Å; F1402-Y1410 HydrophobicContact CD2-CE1 4.43Å; F1402-Y1410 HydrophobicContact CE1-CE2 4.45Å; F1402-Y1410 AromaticContact CE2-CD1 3.7Å; F1402-Y1410 HydrophobicContact CE2-CD1 3.7Å; F1402-Y1410 AromaticContact CE2-CD2 3.82Å; F1402-Y1410 HydrophobicContact CE2-CD2 3.82Å; F1402-Y1410 AromaticContact CE2-CE1 3.64Å; F1402-Y1410 HydrophobicContact CE2-CE1 3.64Å; F1402-Y1410 AromaticContact CE2-CE2 3.76Å; F1402-Y1410 HydrophobicContact CE2-CE2 3.76Å; F1402-Y1410 AromaticContact CE2-CG 3.78Å; F1402-Y1410 HydrophobicContact CE2-CG 3.78Å; F1402-Y1410 AromaticContact CE2-CZ 3.66Å; F1402-Y1410 HydrophobicContact CZ-CD1 4.3Å; F1402-Y1410 AromaticContact CZ-CD2 3.54Å; F1402-Y1410 HydrophobicContact CZ-CD2 3.54Å; F1402-Y1410 HydrophobicContact CZ-CE1 4.26Å; F1402-Y1410 AromaticContact CZ-CE2 3.48Å; F1402-Y1410 HydrophobicContact CZ-CE2 3.48Å; F1402-Y1410 VanDerWaalsContact CZ-CE2 3.48Å; F1402-Y1410 AromaticContact CZ-CG 3.96Å; F1402-Y1410 HydrophobicContact CZ-CG 3.96Å; F1402-Y1410 AromaticContact CZ-CZ 3.86Å; N1406-Y1410 PolarHBondContact ND2-OH 3.08Å; L1408-Y1410 HydrophobicContact CB-CD2 4.46Å; L1408-Y1410 HydrophobicContact CB-CE2 3.78Å; Y1410-F1413 PolarHBondContact N-O 2.9Å; Y1410-N1415 HydrophobicContact CD2-CB 4.01Å; Y1410-N1415 HydrophobicContact CE2-CB 4.05Å |
| 1411 | G | 76 | Confident | 82.2 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -133 | -160.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1413 | G1411-F1413 VanDerWaalsContact C-N 3.27Å; G1411-F1413 PolarHBondContact O-N 3.27Å |
| 1412 | D | 70.5 | Confident | 81.1 | Confident | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -7.6 | -176 | -61.3 | 45.9 | 0 | 0 | 0 | 114.3 | K1374 R1388 | K1374-D1412 HydrophobicContact CD-CB 4.11Å; K1374-D1412 WeakPolarHBondContact CG-O 3.47Å; K1374-D1412 IonicContact NZ-OD2 2.67Å; K1374-D1412 PolarHBondContact NZ-OD2 2.9Å; R1388-D1412 IonicContact CZ-OD1 3.15Å; R1388-D1412 IonicContact NE-OD1 2.68Å; R1388-D1412 IonicContact NH2-OD1 2.82Å; R1388-D1412 PolarHBondContact NH2-OD1 3.03Å |
| 1413 | F | 78.9 | Confident | 80.3 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 158 | -165.4 | -61.7 | -70.7 | 0 | 0 | 0 | 112.8 | L1371 V1385 R1388 R1409 Y1410 G1411 | L1371-F1413 HydrophobicContact CD2-CE1 4.08Å; L1371-F1413 HydrophobicContact CD2-CZ 3.84Å; V1385-F1413 HydrophobicContact CB-CB 4.38Å; V1385-F1413 HydrophobicContact CB-CD1 3.72Å; V1385-F1413 HydrophobicContact CB-CD2 4.09Å; V1385-F1413 HydrophobicContact CB-CE1 3.92Å; V1385-F1413 HydrophobicContact CB-CE2 4.27Å; V1385-F1413 HydrophobicContact CB-CG 3.81Å; V1385-F1413 HydrophobicContact CB-CZ 4.17Å; V1385-F1413 HydrophobicContact CG1-CB 4.28Å; V1385-F1413 HydrophobicContact CG1-CD1 4.15Å; V1385-F1413 HydrophobicContact CG1-CD2 3.56Å; V1385-F1413 HydrophobicContact CG1-CE1 4.35Å; V1385-F1413 HydrophobicContact CG1-CE2 3.79Å; V1385-F1413 HydrophobicContact CG1-CG 3.74Å; V1385-F1413 HydrophobicContact CG1-CZ 4.18Å; V1385-F1413 HydrophobicContact CG2-CD1 4.4Å; V1385-F1413 HydrophobicContact CG2-CE1 4.09Å; V1385-F1413 HydrophobicContact CG2-CZ 4.2Å; V1385-F1413 WeakPolarHBondContact O-CB 3.43Å; R1388-F1413 HydrophobicContact CB-CD2 3.88Å; R1388-F1413 HydrophobicContact CB-CE2 4.06Å; R1409-F1413 CarbonylContact C-O 3.44Å; R1409-F1413 VanDerWaalsContact CA-O 3.23Å; R1409-F1413 WeakPolarHBondContact CA-O 3.42Å; Y1410-F1413 PolarHBondContact N-O 2.9Å; G1411-F1413 VanDerWaalsContact C-N 3.27Å; G1411-F1413 PolarHBondContact O-N 3.27Å |
| 1414 | T | 81.1 | Confident | 79.7 | Confident | 19 Ų | 19 | 54 Ų | 54 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.3 | -175.5 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | R1409 F1416 | R1409-T1414 HydrophobicContact CG-CG2 4.38Å; R1409-T1414 WeakPolarHBondContact CG-OG1 3.35Å; T1414-F1416 HydrophobicContact CG2-CD1 4.13Å; T1414-F1416 HydrophobicContact CG2-CE1 3.84Å; T1414-F1416 HydrophobicContact CG2-CE2 4.41Å; T1414-F1416 HydrophobicContact CG2-CZ 4Å; T1414-F1416 WeakPolarHBondContact O-CD2 3.34Å; T1414-F1416 WeakPolarHBondContact O-CE2 3Å; T1414-F1416 PolarHBondContact O-N 2.9Å; T1414-F1416 VanDerWaalsContact O-N 3.08Å |
| 1415 | N | 88.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -86.9 | 69.1 | -174.6 | -177 | 27 | 0 | 0 | 0 | 111.7 | A1386 V1403 G1405 N1406 G1407 L1408 Y1410 | A1386-N1415 HydrophobicContact CB-CB 4.47Å; V1403-N1415 PolarHBondContact O-ND2 3.31Å; G1405-N1415 CarbonylContact C-O 3.56Å; G1405-N1415 PolarHBondContact N-ND2 2.88Å; G1405-N1415 PolarHBondContact N-OD1 2.85Å; N1406-N1415 VanDerWaalsContact CG-ND2 3.29Å; N1406-N1415 PolarHBondContact N-ND2 3.21Å; N1406-N1415 PolarHBondContact N-O 3.34Å; N1406-N1415 PolarHBondContact OD1-ND2 3.43Å; G1407-N1415 WeakPolarHBondContact CA-O 3.22Å; G1407-N1415 PolarHBondContact N-O 3.01Å; L1408-N1415 VanDerWaalsContact O-CB 3.31Å; L1408-N1415 WeakPolarHBondContact O-CB 3.49Å; L1408-N1415 PolarHBondContact O-N 3.38Å; Y1410-N1415 HydrophobicContact CD2-CB 4.01Å; Y1410-N1415 HydrophobicContact CE2-CB 4.05Å | ||
| 1416 | F | 83.9 | Confident | 79 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 7% | 0.066 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 140.8 | -169.5 | -62.7 | -77 | 0 | 0 | 0 | 114.3 | H1376 H1377 P1378 Y1384 G1405 T1414 | H1376-F1416 WeakPolarHBondContact O-CZ 3.32Å; H1377-F1416 HydrophobicContact CB-CE1 4.37Å; H1377-F1416 AromaticContact CD2-CD1 3.83Å; H1377-F1416 AromaticContact CE1-CD1 3.59Å; H1377-F1416 AromaticContact CG-CD1 3.71Å; H1377-F1416 AromaticContact CG-CE1 3.94Å; H1377-F1416 AromaticContact ND1-CD1 3.56Å; H1377-F1416 AromaticContact NE2-CD1 3.76Å; P1378-F1416 VanDerWaalsContact CD-CE2 3.49Å; P1378-F1416 HydrophobicContact CG-CB 4.32Å; P1378-F1416 HydrophobicContact CG-CD2 3.78Å; P1378-F1416 HydrophobicContact CG-CE2 4.33Å; P1378-F1416 HydrophobicContact CG-CG 4.14Å; Y1384-F1416 AromaticContact CD2-CD2 3.85Å; Y1384-F1416 HydrophobicContact CD2-CD2 3.85Å; Y1384-F1416 HydrophobicContact CE2-CB 4.24Å; Y1384-F1416 AromaticContact CE2-CD2 3.99Å; Y1384-F1416 HydrophobicContact CE2-CD2 3.99Å; Y1384-F1416 HydrophobicContact CG-CD2 4.45Å; Y1384-F1416 PolarHBondContact OH-O 2.73Å; G1405-F1416 WeakPolarHBondContact CA-O 3.4Å; T1414-F1416 HydrophobicContact CG2-CD1 4.13Å; T1414-F1416 HydrophobicContact CG2-CE1 3.84Å; T1414-F1416 HydrophobicContact CG2-CE2 4.41Å; T1414-F1416 HydrophobicContact CG2-CZ 4Å; T1414-F1416 WeakPolarHBondContact O-CD2 3.34Å; T1414-F1416 WeakPolarHBondContact O-CE2 3Å; T1414-F1416 PolarHBondContact O-N 2.9Å; T1414-F1416 VanDerWaalsContact O-N 3.08Å |
| 1417 | P | 84.4 | Confident | 78.5 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 135.1 | 177.7 | -27.9 | 35.2 | 0 | 0 | 0 | 114.8 | K1330 G1405 | K1330-P1417 HydrophobicContact CB-CB 4.18Å; K1330-P1417 HydrophobicContact CD-CB 4.15Å; G1405-P1417 VanDerWaalsContact O-CA 3.26Å; G1405-P1417 WeakPolarHBondContact O-CA 3.41Å |
| 1418 | L | 82.1 | Confident | 78.5 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 153.2 | -176.3 | -54.6 | 172.2 | 0 | 0 | 0 | 112 | K1330 A1332 V1353 L1404 Y1424 L1457 L1459 | K1330-L1418 WeakPolarHBondContact CA-O 3.45Å; K1330-L1418 VanDerWaalsContact O-CB 3.29Å; K1330-L1418 WeakPolarHBondContact O-CB 3.22Å; K1330-L1418 WeakPolarHBondContact O-CG 3.32Å; K1330-L1418 PolarHBondContact O-N 3.2Å; A1332-L1418 HydrophobicContact CB-CD1 4.46Å; V1353-L1418 HydrophobicContact CG1-CD2 4.36Å; L1404-L1418 HydrophobicContact CD2-CD1 4.25Å; L1404-L1418 HydrophobicContact CD2-CD2 4.25Å; L1404-L1418 HydrophobicContact CG-CD2 4.47Å; L1418-Y1424 HydrophobicContact CB-CE2 3.96Å; L1418-Y1424 HydrophobicContact CD2-CD2 4.21Å; L1418-Y1424 HydrophobicContact CD2-CE1 4.4Å; L1418-Y1424 HydrophobicContact CD2-CE2 4.07Å; L1418-Y1424 HydrophobicContact CD2-CG 4.42Å; L1418-L1457 HydrophobicContact CD1-CD1 4.42Å; L1418-L1457 HydrophobicContact CD1-CD2 4.22Å; L1418-L1459 HydrophobicContact CB-CD1 3.74Å; L1418-L1459 HydrophobicContact CD1-CD1 4.32Å; L1418-L1459 HydrophobicContact CD1-CD2 4.49Å |
| 1419 | N | 74.8 | Confident | 77.9 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -96.5 | 121.5 | 176.5 | -178.6 | -7.6 | 0 | 0 | 0 | 110.9 | R1421 A1422 Y1424 | N1419-R1421 PolarHBondContact O-N 2.76Å; N1419-R1421 PolarHBondContact OD1-N 2.89Å; N1419-A1422 HydrophobicContact CB-CB 4.23Å; N1419-A1422 PolarHBondContact O-N 2.89Å; N1419-Y1424 WeakPolarHBondContact CB-OH 3.49Å; N1419-Y1424 PolarHBondContact N-OH 3.21Å |
| 1420 | N | 71.1 | Confident | 77.5 | Confident | 96 Ų | 96 | 41.4 Ų | 41.4 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -4.5 | 179.1 | 70.4 | -16.4 | 0 | 0 | 0 | 115.7 | S1329 | S1329-N1420 WeakPolarHBondContact O-CB 3.26Š|
| 1421 | R | 67.3 | Low | 76.8 | Confident | 226 Ų | 226 | 40.1 Ų | 40.1 | 85% | 0.853 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -7.9 | 172.2 | -61 | -173.6 | 179.9 | -170 | -0.8 | 113.9 | N1419 | N1419-R1421 PolarHBondContact O-N 2.76Å; N1419-R1421 PolarHBondContact OD1-N 2.89Å |
| 1422 | A | 65.7 | Low | 76 | Confident | 17 Ų | 17 | 40 Ų | 40 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | trans | -105 | 148.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1419 Y1424 | N1419-A1422 HydrophobicContact CB-CB 4.23Å; N1419-A1422 PolarHBondContact O-N 2.89Å; A1422-Y1424 HydrophobicContact CB-CD2 4.47Å; A1422-Y1424 HydrophobicContact CB-CE2 3.78Å | ||
| 1423 | R | 74.3 | Confident | 75.2 | Confident | 132 Ų | 132 | 42.7 Ų | 42.7 | 50% | 0.498 | 20% | 0.196 | S | C | . | . | trans | -98 | 138.7 | 166.8 | -64.1 | 177.7 | -62.3 | -177.3 | 1.6 | 107.8 | A1356 D1357 | A1356-R1423 HydrophobicContact CB-CB 3.59Å; A1356-R1423 WeakPolarHBondContact CB-O 3.46Å; A1356-R1423 PolarHBondContact N-O 3.26Å; D1357-R1423 IonicContact OD1-CZ 2.71Å; D1357-R1423 IonicContact OD1-NE 3.91Å; D1357-R1423 IonicContact OD1-NH2 3.68Å; D1357-R1423 PolarHBondContact OD1-NH2 3.39Å | ||
| 1424 | Y | 77.7 | Confident | 73.6 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.5 | -178.2 | -64.8 | -86 | 0 | 0 | 0 | 112 | V1353 V1354 L1418 N1419 A1422 T1456 L1457 | V1353-Y1424 HydrophobicContact CG1-CD1 3.64Å; V1353-Y1424 HydrophobicContact CG1-CE1 4.27Å; V1353-Y1424 HydrophobicContact CG1-CG 4.23Å; V1354-Y1424 CarbonylContact O-C 3.55Å; V1354-Y1424 WeakPolarHBondContact O-CA 3.34Å; L1418-Y1424 HydrophobicContact CB-CE2 3.96Å; L1418-Y1424 HydrophobicContact CD2-CD2 4.21Å; L1418-Y1424 HydrophobicContact CD2-CE1 4.4Å; L1418-Y1424 HydrophobicContact CD2-CE2 4.07Å; L1418-Y1424 HydrophobicContact CD2-CG 4.42Å; N1419-Y1424 WeakPolarHBondContact CB-OH 3.49Å; N1419-Y1424 PolarHBondContact N-OH 3.21Å; A1422-Y1424 HydrophobicContact CB-CD2 4.47Å; A1422-Y1424 HydrophobicContact CB-CE2 3.78Å; Y1424-T1456 CarbonylContact O-C 3.52Å; Y1424-T1456 WeakPolarHBondContact O-CA 3.41Å; Y1424-L1457 PolarHBondContact N-O 2.82Å; Y1424-L1457 PolarHBondContact O-N 3.26Å |
| 1425 | K | 77.7 | Confident | 71.4 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136 | 163 | -73 | 167.5 | -175 | 168.6 | 0 | 107.9 | V1354 A1356 I1358 F1454 | V1354-K1425 PolarHBondContact N-O 3.01Å; V1354-K1425 PolarHBondContact O-N 2.85Å; A1356-K1425 HydrophobicContact CB-CD 4.5Å; A1356-K1425 HydrophobicContact CB-CG 4.1Å; A1356-K1425 WeakPolarHBondContact O-CE 3.42Å; A1356-K1425 PolarHBondContact O-NZ 3.49Å; I1358-K1425 PolarHBondContact O-NZ 2.86Å; K1425-F1454 HydrophobicContact CB-CB 4.14Å; K1425-F1454 HydrophobicContact CD-CB 4.21Å; K1425-F1454 HydrophobicContact CD-CG 4.31Å; K1425-F1454 HydrophobicContact CG-CB 3.91Å |
| 1426 | V | 82.7 | Confident | 68.8 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134 | -179.5 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | P1321 I1334 L1351 I1352 L1404 V1455 L1457 | P1321-V1426 HydrophobicContact CB-CG1 4.12Å; P1321-V1426 HydrophobicContact CG-CG1 4.32Å; I1334-V1426 HydrophobicContact CD1-CG1 4Å; L1351-V1426 HydrophobicContact CD1-CG1 3.75Å; I1352-V1426 WeakPolarHBondContact O-CA 3.4Å; L1404-V1426 HydrophobicContact CD2-CG1 4.28Å; L1404-V1426 HydrophobicContact CD2-CG2 3.68Å; V1426-V1455 PolarHBondContact N-O 2.86Å; V1426-L1457 HydrophobicContact CG2-CD1 4.11Å |
| 1427 | F | 78.3 | Confident | 66.2 | Low | 5 Ų | 5 | 67.8 Ų | 67.8 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.8 | -178.6 | 61.6 | -86 | 0 | 0 | 0 | 112.8 | I1352 V1354 L1361 I1365 S1451 | I1352-F1427 HydrophobicContact CB-CD1 4.33Å; I1352-F1427 HydrophobicContact CB-CD2 4.14Å; I1352-F1427 HydrophobicContact CB-CE1 3.99Å; I1352-F1427 HydrophobicContact CB-CE2 3.78Å; I1352-F1427 HydrophobicContact CB-CG 4.41Å; I1352-F1427 HydrophobicContact CB-CZ 3.7Å; I1352-F1427 HydrophobicContact CD1-CD2 4.32Å; I1352-F1427 HydrophobicContact CD1-CE2 3.62Å; I1352-F1427 HydrophobicContact CD1-CZ 4.1Å; I1352-F1427 HydrophobicContact CG1-CE2 4.19Å; I1352-F1427 HydrophobicContact CG1-CZ 4.47Å; I1352-F1427 HydrophobicContact CG2-CE1 3.79Å; I1352-F1427 HydrophobicContact CG2-CE2 4.05Å; I1352-F1427 HydrophobicContact CG2-CZ 3.48Å; I1352-F1427 VanDerWaalsContact CG2-CZ 3.48Å; I1352-F1427 PolarHBondContact N-O 3.48Å; I1352-F1427 PolarHBondContact O-N 3.34Å; V1354-F1427 HydrophobicContact CG2-CE1 3.63Å; V1354-F1427 HydrophobicContact CG2-CZ 4.28Å; L1361-F1427 HydrophobicContact CD1-CD1 4.15Å; L1361-F1427 HydrophobicContact CD1-CE1 3.57Å; L1361-F1427 HydrophobicContact CD1-CE2 4.48Å; L1361-F1427 HydrophobicContact CD1-CZ 3.77Å; L1361-F1427 HydrophobicContact CD2-CE1 3.81Å; L1361-F1427 HydrophobicContact CD2-CZ 3.68Å; L1361-F1427 HydrophobicContact CG-CE1 4.34Å; L1361-F1427 HydrophobicContact CG-CZ 4.4Å; I1365-F1427 HydrophobicContact CD1-CZ 4.17Å; F1427-S1451 WeakPolarHBondContact CB-OG 3.35Å |
| 1428 | L | 82.1 | Confident | 63.8 | Low | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.1 | -177.6 | -163.2 | 64.9 | 0 | 0 | 0 | 109.7 | I1318 P1321 L1336 Y1349 W1350 L1351 I1394 S1451 | I1318-L1428 HydrophobicContact CG2-CB 4.49Å; I1318-L1428 HydrophobicContact CG2-CD2 3.87Å; I1318-L1428 HydrophobicContact CG2-CG 4.42Å; P1321-L1428 HydrophobicContact CG-CB 4.08Å; L1336-L1428 HydrophobicContact CB-CD2 4.48Å; Y1349-L1428 HydrophobicContact CD1-CD2 4.06Å; Y1349-L1428 HydrophobicContact CD1-CG 4.13Å; W1350-L1428 WeakPolarHBondContact O-CA 2.84Å; L1351-L1428 HydrophobicContact CB-CD1 4.15Å; L1351-L1428 HydrophobicContact CD1-CD1 4.37Å; I1394-L1428 HydrophobicContact CD1-CD2 4.06Å; L1428-S1451 PolarHBondContact N-OG 2.89Å; L1428-S1451 VanDerWaalsContact N-OG 3.12Å; L1428-S1451 PolarHBondContact O-N 2.81Å; L1428-S1451 PolarHBondContact O-OG 3.16Å |
| 1429 | R | 75 | Confident | 61.4 | Low | 24 Ų | 24 | 72.4 Ų | 72.4 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 121.4 | -177.7 | -173.9 | -177.3 | -174.9 | -173.4 | 0.2 | 111.1 | Y1349 W1350 I1352 F1431 S1448 M1449 Y1450 | Y1349-R1429 CarbonylContact C-O 3.58Å; Y1349-R1429 VanDerWaalsContact CA-O 3.24Å; Y1349-R1429 WeakPolarHBondContact CA-O 3.04Å; W1350-R1429 PolarHBondContact N-O 3.38Å; W1350-R1429 PolarHBondContact O-N 3.14Å; I1352-R1429 HydrophobicContact CD1-CB 4.26Å; R1429-F1431 HydrophobicContact CB-CE2 4.36Å; R1429-F1431 HydrophobicContact CG-CE2 3.95Å; R1429-F1431 HydrophobicContact CG-CZ 4.1Å; R1429-S1448 PolarHBondContact NE-OG 3.3Å; R1429-S1448 PolarHBondContact NH2-OG 3.23Å; R1429-M1449 CarbonylContact C-O 3.47Å; R1429-M1449 VanDerWaalsContact CA-O 3.29Å; R1429-M1449 WeakPolarHBondContact CA-O 3.17Å; R1429-M1449 WeakPolarHBondContact CG-O 3.41Å; R1429-Y1450 HydrophobicContact CB-CD1 4.33Å; R1429-Y1450 HydrophobicContact CG-CD1 3.83Å; R1429-Y1450 HydrophobicContact CG-CE1 3.93Å; R1429-Y1450 VanDerWaalsContact NE-CE1 3.33Å; R1429-Y1450 PolarHBondContact NH2-OH 2.58Å; R1429-Y1450 VanDerWaalsContact NH2-OH 3.16Å |
| 1430 | A | 73.4 | Confident | 59.3 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 153.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1318 V1346 Y1348 Y1349 S1448 M1449 | I1318-A1430 HydrophobicContact CD1-CB 3.49Å; I1318-A1430 VanDerWaalsContact CD1-CB 3.49Å; I1318-A1430 VanDerWaalsContact CD1-N 3.34Å; I1318-A1430 HydrophobicContact CG1-CB 4.4Å; V1346-A1430 HydrophobicContact CG1-CB 3.66Å; V1346-A1430 HydrophobicContact CG2-CB 4.12Å; Y1348-A1430 WeakPolarHBondContact O-CA 3.41Å; Y1349-A1430 HydrophobicContact CD1-CB 3.81Å; Y1349-A1430 HydrophobicContact CE1-CB 3.88Å; A1430-S1448 CarbonylContact O-C 3.44Å; A1430-S1448 WeakPolarHBondContact O-CA 3.47Å; A1430-S1448 WeakPolarHBondContact O-CB 3.42Å; A1430-M1449 HydrophobicContact CB-CB 4.24Å; A1430-M1449 PolarHBondContact N-O 2.85Å; A1430-M1449 PolarHBondContact O-N 3.38Å |
| 1431 | F | 67.1 | Low | 57.4 | Low | 29 Ų | 29 | 78.2 Ų | 78.2 | 13% | 0.127 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.3 | -178.7 | -62.5 | -102.8 | 0 | 0 | 0 | 111 | V1346 S1347 Y1348 W1350 R1429 | V1346-F1431 WeakPolarHBondContact CA-O 3.4Å; S1347-F1431 PolarHBondContact N-O 3.31Å; Y1348-F1431 HydrophobicContact CD2-CB 4.1Å; Y1348-F1431 AromaticContact CD2-CD2 3.58Å; Y1348-F1431 HydrophobicContact CD2-CD2 3.58Å; Y1348-F1431 HydrophobicContact CD2-CE2 4.27Å; Y1348-F1431 HydrophobicContact CD2-CG 4.05Å; Y1348-F1431 HydrophobicContact CE1-CB 4.18Å; Y1348-F1431 HydrophobicContact CE2-CB 3.65Å; Y1348-F1431 HydrophobicContact CE2-CD1 4.07Å; Y1348-F1431 AromaticContact CE2-CD2 3.25Å; Y1348-F1431 HydrophobicContact CE2-CD2 3.25Å; Y1348-F1431 AromaticContact CE2-CE2 3.83Å; Y1348-F1431 HydrophobicContact CE2-CE2 3.83Å; Y1348-F1431 AromaticContact CE2-CG 3.39Å; Y1348-F1431 HydrophobicContact CE2-CG 3.39Å; Y1348-F1431 HydrophobicContact CE2-CZ 4.43Å; Y1348-F1431 AromaticContact CZ-CG 3.78Å; Y1348-F1431 PolarHBondContact O-N 2.94Å; W1350-F1431 HydrophobicContact CB-CE2 4.23Å; W1350-F1431 AromaticContact CD2-CE2 3.64Å; W1350-F1431 HydrophobicContact CD2-CE2 3.64Å; W1350-F1431 AromaticContact CD2-CZ 3.79Å; W1350-F1431 HydrophobicContact CD2-CZ 3.79Å; W1350-F1431 AromaticContact CE2-CE2 3.89Å; W1350-F1431 AromaticContact CE2-CZ 3.98Å; W1350-F1431 HydrophobicContact CE3-CE2 4.06Å; W1350-F1431 AromaticContact CE3-CZ 3.77Å; W1350-F1431 HydrophobicContact CE3-CZ 3.77Å; W1350-F1431 AromaticContact CG-CE2 3.73Å; W1350-F1431 HydrophobicContact CG-CE2 3.73Å; W1350-F1431 HydrophobicContact CG-CZ 4.36Å; W1350-F1431 HydrophobicContact CH2-CZ 4.12Å; W1350-F1431 HydrophobicContact CZ2-CE2 4.47Å; W1350-F1431 HydrophobicContact CZ2-CZ 4.15Å; W1350-F1431 AromaticContact CZ3-CZ 3.95Å; W1350-F1431 HydrophobicContact CZ3-CZ 3.95Å; R1429-F1431 HydrophobicContact CB-CE2 4.36Å; R1429-F1431 HydrophobicContact CG-CE2 3.95Å; R1429-F1431 HydrophobicContact CG-CZ 4.1Å |
| 1432 | L | 59.2 | Low | 55.9 | Low | 49 Ų | 49 | 71.6 Ų | 71.6 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141 | 176.1 | -58.5 | 175.6 | 0 | 0 | 0 | 109.7 | P1345 V1346 M1449 | P1345-L1432 VanDerWaalsContact C-CD2 3.48Å; P1345-L1432 WeakPolarHBondContact O-CD2 3.22Å; V1346-L1432 HydrophobicContact CG2-CD2 3.94Å; L1432-M1449 HydrophobicContact CD1-CE 4.35Å; L1432-M1449 HydrophobicContact CD2-CE 4.08Å; L1432-M1449 HydrophobicContact CG-CE 4.47Å |
| 1433 | E | 53.3 | Low | 54.5 | Low | 113 Ų | 113 | 75.6 Ų | 75.6 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | trans | -97.1 | 140.6 | 167.9 | -76.4 | 165.4 | 145.9 | 0 | 0 | 110.8 | S1347 | S1347-E1433 WeakPolarHBondContact CB-OE2 3.38Å; S1347-E1433 WeakPolarHBondContact OG-CB 3.2Å; S1347-E1433 VanDerWaalsContact OG-CG 3.28Å; S1347-E1433 WeakPolarHBondContact OG-CG 3.21Å; S1347-E1433 PolarHBondContact OG-N 2.8Å; S1347-E1433 PolarHBondContact OG-OE2 2.9Å | ||
| 1434 | N | 45.9 | Very low | 52.6 | Low | 134 Ų | 134 | 73.9 Ų | 73.9 | 72% | 0.717 | 41% | 0.407 | S | S | * | . | trans | -95.6 | 130.5 | 167 | -82.6 | -35.8 | 0 | 0 | 0 | 109.1 | G1436 | N1434-G1436 PolarHBondContact O-N 2.9Å; N1434-G1436 VanDerWaalsContact O-N 3.16Å | ||
| 1435 | E | 35.5 | Very low | 50.5 | Low | 209 Ų | 209 | 81 Ų | 81 | 98% | 0.977 | 44% | 0.438 | S | S | * | . | trans | -68.4 | 109.6 | 166.4 | -70.9 | -175.3 | 148.5 | 0 | 0 | 109.6 | ||||
| 1436 | G | 32.6 | Very low | 48.5 | Very low | 64 Ų | 64 | 81.1 Ų | 81.1 | 66% | 0.66 | 45% | 0.446 | S | S | * | . | trans | -135.6 | 132.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | N1434 | N1434-G1436 PolarHBondContact O-N 2.9Å; N1434-G1436 VanDerWaalsContact O-N 3.16Å | ||
| 1437 | D | 29.5 | Very low | 46.7 | Very low | 161 Ų | 161 | 84 Ų | 84 | 86% | 0.861 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -59.1 | 144.4 | -178.2 | -99.5 | -46 | 0 | 0 | 0 | 112.3 | ||
| 1438 | N | 33.7 | Very low | 45.2 | Very low | 105 Ų | 105 | 85.2 Ų | 85.2 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 91.8 | 92.4 | 176.3 | -55.4 | -74.7 | 0 | 0 | 0 | 117.8 | S1440 T1562 | N1438-S1440 VanDerWaalsContact O-CA 3.29Å; N1438-S1440 WeakPolarHBondContact O-CA 3.46Å; N1438-S1440 VanDerWaalsContact O-CB 3.31Å; N1438-S1440 WeakPolarHBondContact O-CB 3.45Å; N1438-S1440 PolarHBondContact O-N 3.1Å; N1438-T1562 HydrophobicContact CB-CG2 3.52Å; N1438-T1562 VanDerWaalsContact OD1-CG2 3.23Å; N1438-T1562 WeakPolarHBondContact OD1-CG2 3.47Å |
| 1439 | G | 31.7 | Very low | 43.7 | Very low | 52 Ų | 52 | 86.1 Ų | 86.1 | 54% | 0.536 | 48% | 0.48 | S | S | . | . | trans | 52.2 | 5.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | Y1441 | G1439-Y1441 PolarHBondContact O-N 3.05Š| ||
| 1440 | S | 31.8 | Very low | 42.8 | Very low | 64 Ų | 64 | 88.8 Ų | 88.8 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | trans | -84.8 | 37.9 | -144.7 | 161.3 | 0 | 0 | 0 | 0 | 121 | N1438 E1442 Y1564 | N1438-S1440 VanDerWaalsContact O-CA 3.29Å; N1438-S1440 WeakPolarHBondContact O-CA 3.46Å; N1438-S1440 VanDerWaalsContact O-CB 3.31Å; N1438-S1440 WeakPolarHBondContact O-CB 3.45Å; N1438-S1440 PolarHBondContact O-N 3.1Å; S1440-E1442 VanDerWaalsContact C-N 3.29Å; S1440-E1442 PolarHBondContact O-N 2.97Å; S1440-Y1564 VanDerWaalsContact OG-CE1 3.27Å; S1440-Y1564 WeakPolarHBondContact OG-CE1 3.35Å | ||
| 1441 | Y | 31.2 | Very low | 42 | Very low | 209 Ų | 209 | 89 Ų | 89 | 82% | 0.82 | 49% | 0.492 | S | S | * | . | trans | -59.2 | 58.2 | -171.6 | -78.1 | -64.3 | 0 | 0 | 0 | 119.3 | G1439 Y1564 | G1439-Y1441 PolarHBondContact O-N 3.05Å; Y1441-Y1564 VanDerWaalsContact CA-OH 3.29Å; Y1441-Y1564 WeakPolarHBondContact CA-OH 3.04Å; Y1441-Y1564 PolarHBondContact N-OH 3.47Å; Y1441-Y1564 PolarHBondContact O-OH 3.02Å | ||
| 1442 | E | 35 | Very low | 41 | Very low | 87 Ų | 87 | 91.6 Ų | 91.6 | 41% | 0.407 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -125.7 | 133 | 160.3 | -85.9 | -164.5 | 138.1 | 0 | 0 | 110 | S1440 S1444 Y1564 Q1567 | S1440-E1442 VanDerWaalsContact C-N 3.29Å; S1440-E1442 PolarHBondContact O-N 2.97Å; E1442-S1444 PolarHBondContact O-N 2.93Å; E1442-Y1564 HydrophobicContact CB-CE1 4.2Å; E1442-Y1564 HydrophobicContact CG-CE1 3.89Å; E1442-Y1564 PolarHBondContact N-OH 3.07Å; E1442-Q1567 WeakPolarHBondContact OE2-CG 3.3Å |
| 1443 | P | 36.8 | Very low | 40.7 | Very low | 100 Ų | 100 | 96 Ų | 96 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | trans | -76.3 | 92.4 | -175.7 | 30.6 | -34.9 | 0 | 0 | 0 | 112.3 | F1445 | P1443-F1445 PolarHBondContact O-N 3.32Š| ||
| 1444 | S | 34.7 | Very low | 40.9 | Very low | 97 Ų | 97 | 95.5 Ų | 95.5 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | trans | -85 | 88.3 | -174.7 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | E1442 A1446 | E1442-S1444 PolarHBondContact O-N 2.93Å; S1444-A1446 PolarHBondContact O-N 3.44Å | ||
| 1445 | F | 33.1 | Very low | 41.5 | Very low | 163 Ų | 163 | 90.7 Ų | 90.7 | 72% | 0.715 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 54.6 | -2.4 | 154 | -70.4 | -83.8 | 0 | 0 | 0 | 120.9 | P1443 S1447 | P1443-F1445 PolarHBondContact O-N 3.32Å; F1445-S1447 PolarHBondContact O-N 2.84Å |
| 1446 | A | 35.7 | Very low | 42.8 | Very low | 38 Ų | 38 | 84.3 Ų | 84.3 | 31% | 0.314 | 48% | 0.476 | S | S | . | . | trans | -93.2 | 93.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1444 | S1444-A1446 PolarHBondContact O-N 3.44Š| ||
| 1447 | S | 45.1 | Very low | 44.2 | Very low | 60 Ų | 60 | 81.4 Ų | 81.4 | 42% | 0.42 | 45% | 0.446 | S | S | . | . | trans | 53.3 | 102 | 165.1 | 47.9 | 0 | 0 | 0 | 0 | 118.1 | F1445 | F1445-S1447 PolarHBondContact O-N 2.84Š| ||
| 1448 | S | 47.9 | Very low | 45.7 | Very low | 31 Ų | 31 | 77.3 Ų | 77.3 | 22% | 0.217 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.5 | 160.9 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | R1429 A1430 | R1429-S1448 PolarHBondContact NE-OG 3.3Å; R1429-S1448 PolarHBondContact NH2-OG 3.23Å; A1430-S1448 CarbonylContact O-C 3.44Å; A1430-S1448 WeakPolarHBondContact O-CA 3.47Å; A1430-S1448 WeakPolarHBondContact O-CB 3.42Å |
| 1449 | M | 50.3 | Low | 46.9 | Very low | 19 Ų | 19 | 73.3 Ų | 73.3 | 9% | 0.094 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.7 | 167.3 | -50.2 | 171 | -165.2 | 0 | 0 | 110 | P1315 I1318 Y1343 V1346 R1429 A1430 L1432 | P1315-M1449 HydrophobicContact CB-CE 4.15Å; P1315-M1449 HydrophobicContact CB-SD 4.24Å; P1315-M1449 HydrophobicContact CG-CE 4.15Å; I1318-M1449 HydrophobicContact CD1-CB 4.06Å; I1318-M1449 HydrophobicContact CG1-CB 4.07Å; Y1343-M1449 VanDerWaalsContact O-CE 3.24Å; Y1343-M1449 WeakPolarHBondContact O-CE 3.42Å; V1346-M1449 HydrophobicContact CG2-CE 4.14Å; V1346-M1449 HydrophobicContact CG2-SD 4.43Å; R1429-M1449 CarbonylContact C-O 3.47Å; R1429-M1449 VanDerWaalsContact CA-O 3.29Å; R1429-M1449 WeakPolarHBondContact CA-O 3.17Å; R1429-M1449 WeakPolarHBondContact CG-O 3.41Å; A1430-M1449 HydrophobicContact CB-CB 4.24Å; A1430-M1449 PolarHBondContact N-O 2.85Å; A1430-M1449 PolarHBondContact O-N 3.38Å; L1432-M1449 HydrophobicContact CD1-CE 4.35Å; L1432-M1449 HydrophobicContact CD2-CE 4.08Å; L1432-M1449 HydrophobicContact CG-CE 4.47Å |
| 1450 | Y | 56.2 | Low | 47.6 | Very low | 81 Ų | 81 | 77.8 Ų | 77.8 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 157.8 | 176.1 | -64.1 | -84 | 0 | 0 | 0 | 110.6 | I1318 D1363 R1429 | I1318-Y1450 PolarHBondContact N-O 3.13Å; D1363-Y1450 PolarHBondContact O-OH 2.9Å; R1429-Y1450 HydrophobicContact CB-CD1 4.33Å; R1429-Y1450 HydrophobicContact CG-CD1 3.83Å; R1429-Y1450 HydrophobicContact CG-CE1 3.93Å; R1429-Y1450 VanDerWaalsContact NE-CE1 3.33Å; R1429-Y1450 PolarHBondContact NH2-OH 2.58Å; R1429-Y1450 VanDerWaalsContact NH2-OH 3.16Å |
| 1451 | S | 55.7 | Low | 48 | Very low | 5 Ų | 5 | 79.6 Ų | 79.6 | 4% | 0.035 | 43% | 0.433 | C | S | . | . | trans | -84 | 128.5 | 159.5 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | I1318 F1427 L1428 | I1318-S1451 WeakPolarHBondContact O-CA 3.25Å; I1318-S1451 WeakPolarHBondContact O-CB 3.32Å; F1427-S1451 WeakPolarHBondContact CB-OG 3.35Å; L1428-S1451 PolarHBondContact N-OG 2.89Å; L1428-S1451 VanDerWaalsContact N-OG 3.12Å; L1428-S1451 PolarHBondContact O-N 2.81Å; L1428-S1451 PolarHBondContact O-OG 3.16Å | ||
| 1452 | T | 47.1 | Very low | 48.1 | Very low | 82 Ų | 82 | 74.9 Ų | 74.9 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -76.9 | -20.5 | -171.4 | 17.6 | 0 | 0 | 0 | 0 | 116 | F1317 | F1317-T1452 HydrophobicContact CB-CG2 4.31Å; F1317-T1452 VanDerWaalsContact CB-OG1 3.27Å; F1317-T1452 WeakPolarHBondContact CB-OG1 3.2Å; F1317-T1452 HydrophobicContact CD1-CG2 3.5Å; F1317-T1452 VanDerWaalsContact CD1-CG2 3.5Å; F1317-T1452 HydrophobicContact CD2-CG2 3.68Å; F1317-T1452 WeakPolarHBondContact CD2-OG1 3.13Å; F1317-T1452 HydrophobicContact CE1-CG2 3.58Å; F1317-T1452 HydrophobicContact CE2-CG2 3.77Å; F1317-T1452 HydrophobicContact CG-CG2 3.54Å; F1317-T1452 VanDerWaalsContact CG-OG1 3.28Å; F1317-T1452 WeakPolarHBondContact CG-OG1 3.4Å; F1317-T1452 HydrophobicContact CZ-CG2 3.71Å |
| 1453 | E | 52.6 | Low | 48 | Very low | 142 Ų | 142 | 75.4 Ų | 75.4 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | trans | -108.3 | 137.7 | -178.1 | -62 | -175.9 | 161.9 | 0 | 0 | 111.1 | A1320 | A1320-E1453 HydrophobicContact CB-CB 3.85Å; A1320-E1453 VanDerWaalsContact CB-O 3.24Å; A1320-E1453 WeakPolarHBondContact CB-O 3.33Å | ||
| 1454 | F | 56.4 | Low | 47.8 | Very low | 102 Ų | 102 | 80.1 Ų | 80.1 | 45% | 0.447 | 45% | 0.452 | S | S | . | . | trans | -96.6 | 112.4 | 174.1 | -41.3 | -66.4 | 0 | 0 | 0 | 109.8 | L1361 K1425 T1456 | L1361-F1454 HydrophobicContact CD1-CD1 4.18Å; L1361-F1454 HydrophobicContact CD1-CE1 3.49Å; L1361-F1454 VanDerWaalsContact CD1-CE1 3.49Å; L1361-F1454 HydrophobicContact CD1-CZ 4.12Å; K1425-F1454 HydrophobicContact CB-CB 4.14Å; K1425-F1454 HydrophobicContact CD-CB 4.21Å; K1425-F1454 HydrophobicContact CD-CG 4.31Å; K1425-F1454 HydrophobicContact CG-CB 3.91Å; F1454-T1456 PolarHBondContact O-N 3.4Å | ||
| 1455 | V | 58.4 | Low | 47.6 | Very low | 34 Ų | 34 | 79.9 Ų | 79.9 | 21% | 0.206 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.9 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 109 | A1320 P1321 V1323 V1426 L1457 | A1320-V1455 HydrophobicContact CB-CG2 4.3Å; P1321-V1455 VanDerWaalsContact O-CB 3.32Å; P1321-V1455 WeakPolarHBondContact O-CB 3.26Å; P1321-V1455 WeakPolarHBondContact O-CG2 3.46Å; V1323-V1455 HydrophobicContact CB-CG1 4.02Å; V1323-V1455 HydrophobicContact CG2-CB 4.46Å; V1323-V1455 HydrophobicContact CG2-CG1 3.55Å; V1426-V1455 PolarHBondContact N-O 2.86Å; V1455-L1457 PolarHBondContact O-N 3.19Å |
| 1456 | T | 62.8 | Low | 47.4 | Very low | 74 Ų | 74 | 77.4 Ų | 77.4 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 102.7 | -177.4 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | A1356 Y1424 F1454 T1458 | A1356-T1456 HydrophobicContact CB-CG2 4.37Å; Y1424-T1456 CarbonylContact O-C 3.52Å; Y1424-T1456 WeakPolarHBondContact O-CA 3.41Å; F1454-T1456 PolarHBondContact O-N 3.4Å; T1456-T1458 PolarHBondContact O-N 3.45Å |
| 1457 | L | 62.3 | Low | 47.2 | Very low | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.016 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.4 | -176.1 | -156.3 | 162.4 | 0 | 0 | 0 | 109.8 | V1323 A1332 I1334 L1404 L1418 Y1424 V1426 V1455 L1459 | V1323-L1457 HydrophobicContact CG1-CG 4.42Å; V1323-L1457 HydrophobicContact CG2-CB 4.17Å; V1323-L1457 HydrophobicContact CG2-CD1 3.86Å; V1323-L1457 HydrophobicContact CG2-CG 3.79Å; A1332-L1457 HydrophobicContact CB-CD1 3.86Å; A1332-L1457 HydrophobicContact CB-CD2 3.89Å; A1332-L1457 HydrophobicContact CB-CG 4.25Å; I1334-L1457 HydrophobicContact CG2-CD1 4.32Å; L1404-L1457 HydrophobicContact CD2-CD1 3.83Å; L1418-L1457 HydrophobicContact CD1-CD1 4.42Å; L1418-L1457 HydrophobicContact CD1-CD2 4.22Å; Y1424-L1457 PolarHBondContact N-O 2.82Å; Y1424-L1457 PolarHBondContact O-N 3.26Å; V1426-L1457 HydrophobicContact CG2-CD1 4.11Å; V1455-L1457 PolarHBondContact O-N 3.19Å; L1457-L1459 HydrophobicContact CD2-CD2 3.76Å; L1457-L1459 HydrophobicContact CD2-CG 3.93Å |
| 1458 | T | 61.2 | Low | 46.5 | Very low | 75 Ų | 75 | 82.2 Ų | 82.2 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | trans | -117.8 | 112.6 | -178.8 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | T1456 M1460 | T1456-T1458 PolarHBondContact O-N 3.45Å; T1458-M1460 HydrophobicContact CG2-CG 4.48Å; T1458-M1460 PolarHBondContact O-N 2.98Å; T1458-M1460 VanDerWaalsContact O-N 3.09Å | ||
| 1459 | L | 59.1 | Low | 45.7 | Very low | 22 Ų | 22 | 86.1 Ų | 86.1 | 12% | 0.115 | 54% | 0.537 | C | S | . | . | trans | -80.7 | 88 | -176.1 | -67 | 167.9 | 0 | 0 | 0 | 111.3 | A1332 L1418 L1457 | A1332-L1459 HydrophobicContact CB-CD2 4.43Å; L1418-L1459 HydrophobicContact CB-CD1 3.74Å; L1418-L1459 HydrophobicContact CD1-CD1 4.32Å; L1418-L1459 HydrophobicContact CD1-CD2 4.49Å; L1457-L1459 HydrophobicContact CD2-CD2 3.76Å; L1457-L1459 HydrophobicContact CD2-CG 3.93Å | ||
| 1460 | M | 46.6 | Very low | 44.9 | Very low | 145 Ų | 145 | 93 Ų | 93 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | trans | -78 | 133.8 | -178.9 | -76.1 | -75.4 | -155.6 | 0 | 0 | 113.2 | T1458 | T1458-M1460 HydrophobicContact CG2-CG 4.48Å; T1458-M1460 PolarHBondContact O-N 2.98Å; T1458-M1460 VanDerWaalsContact O-N 3.09Å | ||
| 1461 | A | 40.5 | Very low | 43.7 | Very low | 103 Ų | 103 | 100 Ų | 100 | 85% | 0.851 | 60% | 0.599 | S | S | * | * | trans | -83.7 | 114 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1462 | S | 32.2 | Very low | 42.8 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 77% | 0.769 | 63% | 0.632 | S | S | * | * | trans | -74 | 156.5 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1463 | P | 33.6 | Very low | 42.5 | Very low | 97 Ų | 97 | 108.1 Ų | 108.1 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | cis | -135.6 | 170.7 | -34.6 | 37.1 | -22.9 | 0 | 0 | 0 | 113.4 | ||||
| 1464 | K | 32 | Very low | 41.7 | Very low | 200 Ų | 200 | 104.3 Ų | 104.3 | 87% | 0.87 | 64% | 0.642 | S | S | * | * | trans | 174.9 | 133.9 | 132.5 | -97.2 | 153.8 | -172.7 | 174.3 | 0 | 116 | ||||
| 1465 | A | 30.8 | Very low | 41 | Very low | 92 Ų | 92 | 104.6 Ų | 104.6 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | trans | 36 | 122.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1466 | A | 29.6 | Very low | 40 | Very low | 111 Ų | 111 | 110 Ų | 110 | 92% | 0.917 | 68% | 0.68 | S | S | * | * | trans | 58.5 | 136.4 | 132 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1467 | G | 31.4 | Very low | 38.8 | Very low | 83 Ų | 83 | 112.5 Ų | 112.5 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | trans | 164.3 | 97.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1468 | S | 31 | Very low | 37.4 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -94.6 | 134.9 | 173.4 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1469 | S | 31 | Very low | 36.4 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | 176.9 | 127.1 | 131.9 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1470 | L | 31.7 | Very low | 35.9 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -65.3 | 154.5 | 152.3 | -116.6 | 71.9 | 0 | 0 | 0 | 110.1 | ||||
| 1471 | W | 32.7 | Very low | 35.5 | Very low | 227 Ų | 227 | 121.1 Ų | 121.1 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -178.8 | 144.3 | 141.3 | -103.6 | 120.9 | 0 | 0 | 0 | 113.8 | ||||
| 1472 | L | 36.5 | Very low | 35.7 | Very low | 139 Ų | 139 | 119.9 Ų | 119.9 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | trans | 64.6 | 143.7 | 152.5 | -60.5 | 171.2 | 0 | 0 | 0 | 118.4 | ||||
| 1473 | V | 39.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -157.1 | 150.5 | -24.1 | 101 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1474 | G | 37.3 | Very low | 37.3 | Very low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | 72 | 160 | 75.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1475 | P | 40.4 | Very low | 37.8 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | cis | -143 | 145.9 | 16.9 | 38 | -16.7 | 0 | 0 | 0 | 118.5 | ||||
| 1476 | I | 36.8 | Very low | 38.9 | Very low | 148 Ų | 148 | 115.2 Ų | 115.2 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | 77.7 | 95.3 | 128.2 | -61.7 | 173.4 | 0 | 0 | 0 | 120.7 | A1478 | I1476-A1478 PolarHBondContact O-N 2.91Š| |||
| 1477 | V | 37.9 | Very low | 39.8 | Very low | 125 Ų | 125 | 113 Ų | 113 | 76% | 0.758 | 70% | 0.697 | S | S | * | * | 71.6 | -14 | 119.8 | 173.5 | 0 | 0 | 0 | 0 | 121.5 | I1479 | V1477-I1479 PolarHBondContact O-N 2.84Š| |||
| 1478 | A | 32.9 | Very low | 40.6 | Very low | 83 Ų | 83 | 114.2 Ų | 114.2 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -30.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | I1476 V1480 | I1476-A1478 PolarHBondContact O-N 2.91Å; A1478-V1480 VanDerWaalsContact C-N 3.32Å; A1478-V1480 PolarHBondContact O-N 3.27Å |
| 1479 | I | 41.5 | Very low | 41.1 | Very low | 135 Ų | 135 | 114 Ų | 114 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.1 | -11.3 | -164.2 | -63.5 | 177 | 0 | 0 | 0 | 114.1 | V1477 V1481 V1482 G1483 | V1477-I1479 PolarHBondContact O-N 2.84Å; I1479-V1481 PolarHBondContact O-N 2.98Å; I1479-V1482 PolarHBondContact O-N 3.4Å; I1479-V1482 VanDerWaalsContact O-N 3.11Å; I1479-G1483 PolarHBondContact O-N 2.85Å |
| 1480 | V | 47.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 114 Ų | 114 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.6 | -19.1 | -176.9 | 179.1 | 0 | 0 | 0 | 0 | 114 | A1478 | A1478-V1480 VanDerWaalsContact C-N 3.32Å; A1478-V1480 PolarHBondContact O-N 3.27Å |
| 1481 | V | 39.2 | Very low | 41.8 | Very low | 93 Ų | 93 | 111.7 Ų | 111.7 | 56% | 0.564 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -101.3 | -33.4 | 175.1 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | I1479 L1484 I1485 | I1479-V1481 PolarHBondContact O-N 2.98Å; V1481-L1484 PolarHBondContact O-N 3.23Å; V1481-I1485 HydrophobicContact CG1-CD1 3.77Å; V1481-I1485 HydrophobicContact CG1-CG1 4.46Å; V1481-I1485 PolarHBondContact O-N 2.8Å |
| 1482 | V | 43.8 | Very low | 41.8 | Very low | 77 Ų | 77 | 109 Ų | 109 | 47% | 0.467 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.1 | -40.3 | 178 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | I1479 L1484 I1485 I1486 | I1479-V1482 PolarHBondContact O-N 3.4Å; I1479-V1482 VanDerWaalsContact O-N 3.11Å; V1482-L1484 PolarHBondContact O-N 3.1Å; V1482-I1485 PolarHBondContact O-N 3.5Å; V1482-I1485 VanDerWaalsContact O-N 3.08Å; V1482-I1486 HydrophobicContact CG1-CD1 3.55Å; V1482-I1486 HydrophobicContact CG1-CG1 3.92Å; V1482-I1486 PolarHBondContact O-N 2.94Å |
| 1483 | G | 53.8 | Low | 41.7 | Very low | 62 Ų | 62 | 108.1 Ų | 108.1 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64 | -6.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1479 | I1479-G1483 PolarHBondContact O-N 2.85Å |
| 1484 | L | 44.8 | Very low | 41.4 | Very low | 126 Ų | 126 | 109.6 Ų | 109.6 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -114.3 | -6.4 | 174.4 | -103.9 | 162.5 | 0 | 0 | 0 | 113.7 | V1481 V1482 | V1481-L1484 PolarHBondContact O-N 3.23Å; V1482-L1484 PolarHBondContact O-N 3.1Å |
| 1485 | I | 43.2 | Very low | 41.2 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 41% | 0.41 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -111.9 | -28.3 | -179.7 | -65.4 | -179 | 0 | 0 | 0 | 112.5 | V1481 V1482 G1487 I1488 I1489 | V1481-I1485 HydrophobicContact CG1-CD1 3.77Å; V1481-I1485 HydrophobicContact CG1-CG1 4.46Å; V1481-I1485 PolarHBondContact O-N 2.8Å; V1482-I1485 PolarHBondContact O-N 3.5Å; V1482-I1485 VanDerWaalsContact O-N 3.08Å; I1485-G1487 PolarHBondContact O-N 3.47Å; I1485-G1487 VanDerWaalsContact O-N 3.16Å; I1485-I1488 PolarHBondContact O-N 2.88Å; I1485-I1489 HydrophobicContact CG2-CB 4.22Å; I1485-I1489 HydrophobicContact CG2-CD1 4.14Å; I1485-I1489 HydrophobicContact CG2-CG1 4.33Å; I1485-I1489 PolarHBondContact O-N 2.73Å |
| 1486 | I | 55 | Low | 40.7 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -24.1 | 163.5 | -68.3 | 179.6 | 0 | 0 | 0 | 110.8 | V1482 | V1482-I1486 HydrophobicContact CG1-CD1 3.55Å; V1482-I1486 HydrophobicContact CG1-CG1 3.92Å; V1482-I1486 PolarHBondContact O-N 2.94Å |
| 1487 | G | 46.7 | Very low | 40.5 | Very low | 63 Ų | 63 | 119.6 Ų | 119.6 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -3.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | I1485 | I1485-G1487 PolarHBondContact O-N 3.47Å; I1485-G1487 VanDerWaalsContact O-N 3.16Å |
| 1488 | I | 48.9 | Very low | 40.1 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 56% | 0.564 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -32.4 | -173.8 | -59.2 | -177.2 | 0 | 0 | 0 | 113 | I1485 L1491 | I1485-I1488 PolarHBondContact O-N 2.88Å; I1488-L1491 WeakPolarHBondContact O-CB 3.29Å |
| 1489 | I | 41.1 | Very low | 39.9 | Very low | 109 Ų | 109 | 127 Ų | 127 | 56% | 0.559 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -132.3 | 122 | -176.2 | -56.9 | 177.4 | 0 | 0 | 0 | 107.6 | I1485 | I1485-I1489 HydrophobicContact CG2-CB 4.22Å; I1485-I1489 HydrophobicContact CG2-CD1 4.14Å; I1485-I1489 HydrophobicContact CG2-CG1 4.33Å; I1485-I1489 PolarHBondContact O-N 2.73Å |
| 1490 | C | 40.9 | Very low | 39.3 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | S | Bend | cis | -109.1 | 65.8 | 13.3 | -64.2 | 0 | 0 | 0 | 0 | 114 | F1492 | C1490-F1492 PolarHBondContact O-N 3.33Š|
| 1491 | L | 37.9 | Very low | 38.4 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 61% | 0.613 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -52.2 | 122.8 | 132.7 | -110.3 | 164.1 | 0 | 0 | 0 | 106 | I1488 | I1488-L1491 WeakPolarHBondContact O-CB 3.29Š|
| 1492 | F | 31.5 | Very low | 37.9 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 74% | 0.741 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 68.4 | 98.4 | 179 | -71 | -91 | 0 | 0 | 0 | 118 | C1490 | C1490-F1492 PolarHBondContact O-N 3.33Š|
| 1493 | L | 34.4 | Very low | 37.4 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 63% | 0.634 | 69% | 0.687 | S | S | * | * | 146.5 | 132.8 | 105.8 | -78.6 | 150.3 | 0 | 0 | 0 | 117.7 | |||||
| 1494 | F | 33.8 | Very low | 36 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 66% | 0.662 | 68% | 0.682 | S | S | * | * | trans | 68 | 143.3 | 149.9 | -62.2 | -31.8 | 0 | 0 | 0 | 120.3 | ||||
| 1495 | R | 32.6 | Very low | 35.1 | Very low | 191 Ų | 191 | 133 Ų | 133 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | cis | -162.4 | 131.2 | -8 | -126.1 | 162.2 | -179.6 | 154.9 | -3.9 | 113.6 | ||||
| 1496 | R | 31.5 | Very low | 34.3 | Very low | 238 Ų | 238 | 136.6 Ų | 136.6 | 90% | 0.898 | 68% | 0.682 | S | S | * | * | trans | 32.8 | 126.6 | 140.9 | -78 | -175.1 | 171.6 | 177.8 | -2.7 | 121.7 | ||||
| 1497 | S | 31.8 | Very low | 33.1 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | 124.3 | 108.1 | 112.6 | -179 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1498 | K | 29.5 | Very low | 32.3 | Very low | 182 Ų | 182 | 136 Ų | 136 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | trans | 74.1 | 112.1 | 138.7 | -69.8 | 178.2 | 179.7 | 178.3 | 0 | 122.4 | ||||
| 1499 | K | 28.5 | Very low | 31.5 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 79% | 0.787 | 70% | 0.7 | S | S | * | * | 73.5 | 139 | 122.8 | -69.7 | -162.3 | 172.9 | -160.7 | 0 | 121.6 | |||||
| 1500 | N | 29.6 | Very low | 31.1 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | 90 | 112.2 | 151.6 | -63.2 | -11.2 | 0 | 0 | 0 | 119.9 | ||||
| 1501 | K | 28.7 | Very low | 30.5 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | 72.4 | 124.1 | 138.9 | -59.4 | 176.5 | 178.3 | -170.4 | 0 | 120.3 | ||||
| 1502 | L | 28.1 | Very low | 30.1 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | 19.5 | 145 | 113.9 | -67.6 | 161.4 | 0 | 0 | 0 | 117.5 | |||||
| 1503 | P | 33.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | cis | -152.7 | 171.8 | 27.1 | 44.6 | -24.8 | 0 | 0 | 0 | 119.7 | ||||
| 1504 | V | 25 | Very low | 29.7 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | trans | 71.1 | 113.4 | 132 | 162 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1505 | K | 26.5 | Very low | 29.6 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 34% | 0.335 | 72% | 0.715 | S | S | . | * | trans | 63.5 | 148.8 | 131 | -59.7 | -169.1 | 175.3 | -88.1 | 0 | 126 | D644 D645 D646 | D644-K1505 IonicContact OD1-NZ 3.84Å; D644-K1505 PolarHBondContact OD1-NZ 3.23Å; D645-K1505 HydrophobicContact CB-CG 3.94Å; D645-K1505 PolarHBondContact O-NZ 2.55Å; D645-K1505 WeakPolarHBondContact OD2-CD 3.38Å; D645-K1505 WeakPolarHBondContact OD2-CG 3.48Å; D645-K1505 IonicContact OD2-NZ 3.46Å; D645-K1505 PolarHBondContact OD2-NZ 3.37Å; D646-K1505 VanDerWaalsContact OD1-CE 3.26Å; D646-K1505 WeakPolarHBondContact OD1-CE 3.28Å; D646-K1505 WeakPolarHBondContact OD1-CG 3.46Å; D646-K1505 IonicContact OD1-NZ 3.79Å; D646-K1505 WeakPolarHBondContact OD2-CE 3.48Å; D646-K1505 IonicContact OD2-NZ 3.91Å | ||
| 1506 | H | 26.2 | Very low | 29.6 | Very low | 156 Ų | 156 | 131 Ų | 131 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 100.8 | 110.3 | 138.9 | -83 | 5.8 | 0 | 0 | 0 | 124.3 | D645 | D645-H1506 PolarHBondContact OD1-N 3.17Å; D645-H1506 IonicContact OD1-ND1 2.74Å; D645-H1506 IonicContact OD2-CE1 2.77Å; D645-H1506 IonicContact OD2-ND1 2.72Å | ||
| 1507 | G | 29.2 | Very low | 29.5 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 71% | 0.713 | S | S | * | * | trans | 102.3 | 153.5 | 131.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1508 | S | 29.8 | Very low | 29.4 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | cis | -174.9 | 158.7 | -10.9 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1509 | I | 32.3 | Very low | 29.6 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | trans | 155.8 | 109.1 | 130.9 | -81.3 | 163.9 | 0 | 0 | 0 | 114.8 | ||||
| 1510 | N | 31.7 | Very low | 29.6 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | trans | 57.7 | 142 | 140.8 | -65 | -24.7 | 0 | 0 | 0 | 123.5 | ||||
| 1511 | K | 28.1 | Very low | 29.5 | Very low | 161 Ų | 161 | 115.9 Ų | 115.9 | 70% | 0.7 | 69% | 0.685 | S | S | * | * | cis | -179.1 | 152.8 | -11 | -118.5 | 175.7 | -171.5 | 164.1 | 0 | 114 | ||||
| 1512 | V | 30.4 | Very low | 29.4 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 78% | 0.782 | 67% | 0.666 | S | S | * | * | trans | 79.7 | 141.1 | 139.6 | 158.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1513 | A | 27.7 | Very low | 29.3 | Very low | 73 Ų | 73 | 107.5 Ų | 107.5 | 60% | 0.603 | 66% | 0.658 | S | S | * | * | cis | -175.8 | 165.6 | -28.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1514 | L | 28.6 | Very low | 29 | Very low | 172 Ų | 172 | 110.8 Ų | 110.8 | 90% | 0.901 | 66% | 0.662 | S | S | * | * | trans | 73.1 | 121.7 | 149.9 | -69 | 158.7 | 0 | 0 | 0 | 120.7 | ||||
| 1515 | G | 32.9 | Very low | 29.1 | Very low | 65 Ų | 65 | 113.3 Ų | 113.3 | 67% | 0.67 | 67% | 0.671 | S | S | * | * | trans | -77.7 | -159.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1516 | P | 33.3 | Very low | 29.2 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | -160.7 | 178.7 | 74.1 | 44.4 | -24.6 | 0 | 0 | 0 | 118.5 | |||||
| 1517 | I | 27.8 | Very low | 29.3 | Very low | 162 Ų | 162 | 115.9 Ų | 115.9 | 83% | 0.831 | 69% | 0.687 | S | S | * | * | trans | 66.3 | 127.6 | 145.6 | -72.9 | 157.1 | 0 | 0 | 0 | 120.1 | ||||
| 1518 | G | 31.2 | Very low | 29.4 | Very low | 59 Ų | 59 | 116.6 Ų | 116.6 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | trans | -90.3 | -173.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1519 | P | 32.6 | Very low | 29.5 | Very low | 139 Ų | 139 | 113.6 Ų | 113.6 | 90% | 0.903 | 66% | 0.659 | S | S | * | * | -149.1 | -145.4 | 81.7 | 42 | -23.1 | 0 | 0 | 0 | 113.2 | |||||
| 1520 | S | 28.7 | Very low | 29.4 | Very low | 64 Ų | 64 | 114.7 Ų | 114.7 | 45% | 0.448 | 66% | 0.661 | S | S | . | * | trans | -115.4 | 175.3 | -167.5 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | N1047 | N1047-S1520 WeakPolarHBondContact O-CB 3.35Å; N1047-S1520 PolarHBondContact O-OG 3.18Å | ||
| 1521 | E | 27.8 | Very low | 29.4 | Very low | 93 Ų | 93 | 112.5 Ų | 112.5 | 44% | 0.435 | 66% | 0.659 | S | S | . | * | trans | 119.7 | 124.3 | 160.1 | -65.3 | -103.1 | 126.4 | 0 | 0 | 118.8 | N1047 C1048 | N1047-E1521 VanDerWaalsContact CA-OE1 3.3Å; N1047-E1521 WeakPolarHBondContact CA-OE1 3.25Å; N1047-E1521 HydrophobicContact CB-CG 3.87Å; N1047-E1521 WeakPolarHBondContact CB-OE1 3.47Å; N1047-E1521 VanDerWaalsContact CG-OE1 3.23Å; N1047-E1521 PolarHBondContact ND2-OE1 3.25Å; C1048-E1521 WeakPolarHBondContact CA-OE1 3.23Å; C1048-E1521 HydrophobicContact CB-CB 4.1Å; C1048-E1521 HydrophobicContact CB-CG 3.68Å; C1048-E1521 WeakPolarHBondContact CB-OE1 3.35Å; C1048-E1521 WeakPolarHBondContact SG-CA 3.42Å; C1048-E1521 PolarHBondContact SG-OE1 3Å | ||
| 1522 | T | 25.7 | Very low | 29.5 | Very low | 70 Ų | 70 | 110.8 Ų | 110.8 | 43% | 0.429 | 66% | 0.662 | S | S | . | * | trans | 58.8 | 114.5 | 150.6 | 51 | 0 | 0 | 0 | 0 | 122.9 | C1048 | C1048-T1522 VanDerWaalsContact SG-CG2 3.52Å; C1048-T1522 PolarHBondContact SG-N 2.95Å | ||
| 1523 | S | 26.3 | Very low | 29.5 | Very low | 80 Ų | 80 | 111.3 Ų | 111.3 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | 68.5 | 135.9 | 113.4 | -146.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1524 | K | 28.2 | Very low | 29.7 | Very low | 176 Ų | 176 | 111.5 Ų | 111.5 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | 74.8 | 120.6 | 153 | -75.2 | 165.2 | -179 | 175.7 | 0 | 120.5 | ||||
| 1525 | L | 27 | Very low | 29.8 | Very low | 143 Ų | 143 | 111.1 Ų | 111.1 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | 76.1 | 141 | 127.4 | -74.8 | 169 | 0 | 0 | 0 | 120.3 | |||||
| 1526 | L | 27.6 | Very low | 29.7 | Very low | 150 Ų | 150 | 113.6 Ų | 113.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | 68.6 | 154.6 | 160.1 | -60.6 | 159.2 | 0 | 0 | 0 | 115.4 | ||||
| 1527 | K | 28.4 | Very low | 29.5 | Very low | 138 Ų | 138 | 115.5 Ų | 115.5 | 60% | 0.6 | 68% | 0.678 | S | S | * | * | cis | 169.5 | 137.6 | -29 | -132 | -175 | 164.9 | -88 | 0 | 104.6 | ||||
| 1528 | D | 30.5 | Very low | 29.4 | Very low | 91 Ų | 91 | 111.1 Ų | 111.1 | 49% | 0.487 | 67% | 0.672 | S | S | . | * | trans | 48.6 | 119.6 | 154.2 | -44.1 | -36.3 | 0 | 0 | 0 | 120.7 | ||||
| 1529 | G | 32.8 | Very low | 29.2 | Very low | 46 Ų | 46 | 118.5 Ų | 118.5 | 47% | 0.474 | 69% | 0.688 | S | S | . | * | 126.2 | 109.8 | 119.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1530 | Q | 30.2 | Very low | 29 | Very low | 164 Ų | 164 | 115.6 Ų | 115.6 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | trans | 67.8 | 111.4 | 132.1 | -64 | -171.4 | -4.1 | 0 | 0 | 123.4 | ||||
| 1531 | A | 31.3 | Very low | 29 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 60% | 0.603 | 70% | 0.704 | S | S | * | * | 99.3 | 129.4 | 110.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1532 | T | 30.7 | Very low | 29 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | trans | 89 | 118.8 | 136.3 | 41.9 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1533 | T | 30.2 | Very low | 29 | Very low | 140 Ų | 140 | 127 Ų | 127 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | trans | 73.6 | 130.7 | 139.6 | 54.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1534 | G | 32 | Very low | 29 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | trans | 158.7 | 64.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1535 | I | 30.1 | Very low | 29.1 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | 3.8 | 124.2 | 155 | -35.3 | 179.8 | 0 | 0 | 0 | 116.4 | ||||
| 1536 | V | 31.1 | Very low | 29.1 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | -158 | 137.9 | 73.8 | 168.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1537 | N | 29.5 | Very low | 29.2 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 25.7 | 114.5 | 159.4 | -51.9 | -11.2 | 0 | 0 | 0 | 119.6 | ||
| 1538 | G | 26.3 | Very low | 29.1 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -172.4 | 144.8 | -3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1539 | F | 26.2 | Very low | 28.8 | Very low | 215 Ų | 215 | 123.6 Ų | 123.6 | 94% | 0.943 | 74% | 0.74 | S | S | * | * | trans | 53.9 | 68.1 | -176.6 | -68.5 | -75 | 0 | 0 | 0 | 115.7 | ||||
| 1540 | G | 28.1 | Very low | 28.5 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -88 | 168.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1541 | M | 29.6 | Very low | 28.4 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -69 | 177.1 | 173.4 | -62.8 | 170.7 | 157.2 | 0 | 0 | 114.3 | ||||
| 1542 | K | 27 | Very low | 28.1 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | 90.3 | 134.1 | 159.9 | -52.6 | 168.8 | -177.8 | 178.1 | 0 | 116.6 | ||||
| 1543 | A | 26.3 | Very low | 28 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | 175.6 | 121.6 | 105.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1544 | Y | 26.9 | Very low | 27.8 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | 72.5 | 165.4 | 134.1 | -83 | -90.8 | 0 | 0 | 0 | 124 | ||||
| 1545 | E | 28.3 | Very low | 27.7 | Very low | 138 Ų | 138 | 135 Ų | 135 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | trans | -116.1 | 157.4 | -160.3 | -47.5 | 145.9 | 111.6 | 0 | 0 | 113.2 | ||||
| 1546 | G | 28.3 | Very low | 27.7 | Very low | 62 Ų | 62 | 136.1 Ų | 136.1 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 70.8 | 136 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1547 | V | 29.9 | Very low | 27.9 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | trans | 177.2 | 127 | 132.3 | 145.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1548 | M | 26.1 | Very low | 27.9 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | 30.9 | 115.6 | 148 | -50.3 | -66.2 | -75.9 | 0 | 0 | 122.5 | ||||
| 1549 | A | 24.4 | Very low | 27.9 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | 48.3 | 158.6 | 106.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1550 | D | 26.4 | Very low | 28 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 88.6 | 149.6 | 158.9 | -64.9 | -30.7 | 0 | 0 | 0 | 122.2 | ||||
| 1551 | M | 27.6 | Very low | 28 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 95 | 71 | 161.9 | -50.7 | -145.1 | 73.7 | 0 | 0 | 121.2 | ||||
| 1552 | Y | 25.5 | Very low | 28.1 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 11.6 | 128.2 | 125.9 | -61.7 | -96.9 | 0 | 0 | 0 | 120.5 | |||||
| 1553 | H | 27.3 | Very low | 27.9 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | 166.8 | 138.1 | 94.4 | -95.9 | -57.5 | 0 | 0 | 0 | 116.5 | |||||
| 1554 | S | 27.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | 53.7 | 128.4 | 144.7 | 63.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1555 | G | 30.1 | Very low | 27.8 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 160.9 | 88.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1556 | E | 28.6 | Very low | 27.8 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | -90.8 | -173.4 | 177.8 | -55 | 179.9 | 121.6 | 0 | 0 | 112.4 | ||||
| 1557 | P | 35.4 | Very low | 27.7 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | -130.8 | -170 | -71.6 | 40.8 | -24.9 | 0 | 0 | 0 | 111.9 | |||||
| 1558 | V | 29.7 | Very low | 27.6 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 72% | 0.718 | S | S | * | * | trans | -177.5 | 149.7 | 139.5 | 140.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1559 | E | 27.5 | Very low | 27.6 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -99.7 | 146.3 | -172.9 | -54.3 | 167.1 | 99.9 | 0 | 0 | 114.3 | ||||
| 1560 | M | 28.5 | Very low | 27.6 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 95% | 0.951 | 71% | 0.706 | S | S | * | * | -167.4 | 166.8 | 123.5 | -113.3 | 168.7 | -82.6 | 0 | 0 | 112.4 | |||||
| 1561 | Q | 27.6 | Very low | 27.8 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -108.2 | 139 | -153.9 | -62.2 | 170.3 | -18 | 0 | 0 | 114.9 | ||||
| 1562 | T | 30.4 | Very low | 27.7 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 44% | 0.442 | 69% | 0.686 | S | S | . | * | trans | -155.8 | 152.6 | 148.7 | -15.1 | 0 | 0 | 0 | 0 | 109.9 | N1438 | N1438-T1562 HydrophobicContact CB-CG2 3.52Å; N1438-T1562 VanDerWaalsContact OD1-CG2 3.23Å; N1438-T1562 WeakPolarHBondContact OD1-CG2 3.47Å | ||
| 1563 | L | 24 | Very low | 27.7 | Very low | 169 Ų | 169 | 121.4 Ų | 121.4 | 89% | 0.885 | 68% | 0.683 | S | S | * | * | trans | -79 | 124.9 | -170.1 | -77.4 | 88.6 | 0 | 0 | 0 | 112.9 | ||||
| 1564 | Y | 26.9 | Very low | 27.7 | Very low | 105 Ų | 105 | 117.2 Ų | 117.2 | 41% | 0.412 | 67% | 0.672 | S | S | . | * | trans | -109.3 | 144 | 171 | -109.6 | -78.8 | 0 | 0 | 0 | 110.7 | S1440 Y1441 E1442 | S1440-Y1564 VanDerWaalsContact OG-CE1 3.27Å; S1440-Y1564 WeakPolarHBondContact OG-CE1 3.35Å; Y1441-Y1564 VanDerWaalsContact CA-OH 3.29Å; Y1441-Y1564 WeakPolarHBondContact CA-OH 3.04Å; Y1441-Y1564 PolarHBondContact N-OH 3.47Å; Y1441-Y1564 PolarHBondContact O-OH 3.02Å; E1442-Y1564 HydrophobicContact CB-CE1 4.2Å; E1442-Y1564 HydrophobicContact CG-CE1 3.89Å; E1442-Y1564 PolarHBondContact N-OH 3.07Å | ||
| 1565 | Y | 24 | Very low | 27.7 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 48% | 0.482 | 67% | 0.673 | S | S | . | * | trans | -85.4 | 124.5 | 157.2 | -84.9 | -86.3 | 0 | 0 | 0 | 109 | Q1567 A1664 R1665 S1666 | Y1565-Q1567 PolarHBondContact O-N 2.91Å; Y1565-Q1567 VanDerWaalsContact O-N 3.12Å; Y1565-A1664 PolarHBondContact OH-O 3.18Å; Y1565-R1665 WeakPolarHBondContact OH-CA 3.41Å; Y1565-R1665 PolarHBondContact OH-N 3.46Å; Y1565-R1665 VanDerWaalsContact OH-N 3.1Å; Y1565-S1666 PolarHBondContact OH-N 3.19Å | ||
| 1566 | P | 29.2 | Very low | 28.1 | Very low | 106 Ų | 106 | 118.7 Ų | 118.7 | 69% | 0.688 | 66% | 0.66 | S | S | * | * | trans | -73.9 | 105.3 | 176.5 | 29.1 | -32.5 | 0 | 0 | 0 | 110.2 | ||||
| 1567 | Q | 25.3 | Very low | 29 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 48% | 0.481 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 131.6 | 162.7 | -81.3 | -74.5 | -33.3 | 0 | 0 | 109.8 | E1442 Y1565 | E1442-Q1567 WeakPolarHBondContact OE2-CG 3.3Å; Y1565-Q1567 PolarHBondContact O-N 2.91Å; Y1565-Q1567 VanDerWaalsContact O-N 3.12Å |
| 1568 | P | 27.7 | Very low | 30.7 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 56% | 0.558 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 146.5 | 179.1 | 23.5 | -32.3 | 0 | 0 | 0 | 111.6 | K1368 | K1368-P1568 PolarHBondContact NZ-O 3.04Š|
| 1569 | P | 26.4 | Very low | 32.9 | Very low | 111 Ų | 111 | 109.3 Ų | 109.3 | 72% | 0.721 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 148.2 | 173.5 | -22.9 | 34 | 0 | 0 | 0 | 112.1 | ||
| 1570 | P | 24.9 | Very low | 35.7 | Very low | 53 Ų | 53 | 104.1 Ų | 104.1 | 34% | 0.344 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -82.6 | 125.4 | 174.4 | 32.7 | -32 | 0 | 0 | 0 | 111.6 | K1368 | K1368-P1570 HydrophobicContact CB-CB 3.64Å; K1368-P1570 HydrophobicContact CB-CG 3.55Å; K1368-P1570 HydrophobicContact CD-CB 3.85Å; K1368-P1570 HydrophobicContact CD-CG 3.66Å; K1368-P1570 HydrophobicContact CG-CB 4.21Å; K1368-P1570 HydrophobicContact CG-CG 4.2Å |
| 1571 | T | 29.2 | Very low | 38.7 | Very low | 84 Ų | 84 | 95.7 Ų | 95.7 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | trans | -143.8 | 82.1 | 168.5 | 44.5 | 0 | 0 | 0 | 0 | 111.6 | H1613 | T1571-H1613 PolarHBondContact OG1-CD2 3.03Š| ||
| 1572 | V | 26.6 | Very low | 41.6 | Very low | 107 Ų | 107 | 89.6 Ų | 89.6 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | trans | 51 | 96.7 | 139.7 | -167.3 | 0 | 0 | 0 | 0 | 117.8 | E1369 | E1369-V1572 HydrophobicContact CG-CG2 4.34Å; E1369-V1572 VanDerWaalsContact OE1-CA 3.24Å; E1369-V1572 WeakPolarHBondContact OE1-CA 3.26Å; E1369-V1572 PolarHBondContact OE1-N 3.06Å; E1369-V1572 VanDerWaalsContact OE1-N 3.11Å | ||
| 1573 | A | 24.5 | Very low | 44.2 | Very low | 81 Ų | 81 | 88.7 Ų | 88.7 | 67% | 0.669 | 53% | 0.529 | S | S | * | . | trans | 70.4 | 92 | 140.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1574 | S | 27.4 | Very low | 47.2 | Very low | 77 Ų | 77 | 87.7 Ų | 87.7 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | -133.8 | 155.2 | 124.4 | 72.6 | 0 | 0 | 0 | 0 | 110.5 | E1609 | S1574-E1609 VanDerWaalsContact CB-OE1 3.27Å; S1574-E1609 WeakPolarHBondContact CB-OE1 3.45Å; S1574-E1609 PolarHBondContact OG-OE1 3.02Å | |||
| 1575 | T | 27.3 | Very low | 50 | Low | 138 Ų | 138 | 86.9 Ų | 86.9 | 85% | 0.847 | 52% | 0.523 | S | S | * | . | trans | -110 | 48.1 | -149.5 | 57.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1576 | V | 38.7 | Very low | 53.2 | Low | 90 Ų | 90 | 81 Ų | 81 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | trans | -139.3 | 109.7 | 174 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | H1578 | V1576-H1578 VanDerWaalsContact CG1-CE1 3.43Å; V1576-H1578 WeakPolarHBondContact CG1-CE1 3.06Å; V1576-H1578 PolarHBondContact O-ND1 3.13Å | ||
| 1577 | S | 47.4 | Very low | 56 | Low | 120 Ų | 120 | 77.4 Ų | 77.4 | 84% | 0.839 | 48% | 0.48 | S | S | * | . | trans | -87 | 111.3 | 174.6 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1578 | H | 71.1 | Confident | 58.9 | Low | 58 Ų | 58 | 77.6 Ų | 77.6 | 27% | 0.269 | 48% | 0.484 | S | S | . | . | trans | -90.7 | 131.8 | 168.4 | -57 | 81.3 | 0 | 0 | 0 | 108.7 | V1576 E1604 Y1826 | V1576-H1578 VanDerWaalsContact CG1-CE1 3.43Å; V1576-H1578 WeakPolarHBondContact CG1-CE1 3.06Å; V1576-H1578 PolarHBondContact O-ND1 3.13Å; H1578-E1604 IonicContact CD2-OE2 2.73Å; H1578-Y1826 HydrophobicContact CB-CD1 3.59Å; H1578-Y1826 HydrophobicContact CB-CD2 4.17Å; H1578-Y1826 HydrophobicContact CB-CE1 4.05Å; H1578-Y1826 HydrophobicContact CB-CG 3.65Å; H1578-Y1826 AromaticContact CE1-CE2 3.47Å; H1578-Y1826 VanDerWaalsContact CE1-CE2 3.47Å; H1578-Y1826 WeakPolarHBondContact CE1-CE2 3.38Å; H1578-Y1826 AromaticContact CE1-CZ 3.7Å; H1578-Y1826 AromaticContact CG-CD1 3.92Å; H1578-Y1826 AromaticContact CG-CD2 3.75Å; H1578-Y1826 AromaticContact CG-CE2 3.86Å; H1578-Y1826 AromaticContact CG-CG 3.78Å; H1578-Y1826 AromaticContact CG-CZ 4Å; H1578-Y1826 AromaticContact ND1-CD1 3.9Å; H1578-Y1826 AromaticContact ND1-CD2 3.73Å; H1578-Y1826 AromaticContact ND1-CE1 3.52Å; H1578-Y1826 AromaticContact ND1-CE2 3.32Å; H1578-Y1826 VanDerWaalsContact ND1-CE2 3.32Å; H1578-Y1826 WeakPolarHBondContact ND1-CE2 3.33Å; H1578-Y1826 AromaticContact ND1-CG 4Å; H1578-Y1826 AromaticContact ND1-CZ 3.21Å | ||
| 1579 | A | 75.9 | Confident | 61.8 | Low | 75 Ų | 75 | 75.1 Ų | 75.1 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | trans | -110.6 | 156.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1581 | A1579-I1581 PolarHBondContact O-N 2.77Š| ||
| 1580 | P | 87.2 | Confident | 64.9 | Low | 58 Ų | 58 | 70 Ų | 70 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 134.6 | 173.3 | -25.3 | 34.7 | 0 | 0 | 0 | 112.6 | D1824 | P1580-D1824 HydrophobicContact CB-CB 4.18Å; P1580-D1824 HydrophobicContact CG-CB 4.26Å |
| 1581 | I | 90.7 | Very high | 67.9 | Low | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.082 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.8 | -174.1 | -54.9 | 154.4 | 0 | 0 | 0 | 108.8 | A1579 E1585 L1586 H1589 T1822 V1823 | A1579-I1581 PolarHBondContact O-N 2.77Å; I1581-E1585 HydrophobicContact CG2-CB 4.28Å; I1581-L1586 HydrophobicContact CG2-CD1 4.48Å; I1581-H1589 WeakPolarHBondContact CD1-NE2 3.1Å; I1581-H1589 HydrophobicContact CG2-CB 4.14Å; I1581-T1822 CarbonylContact O-C 3.5Å; I1581-T1822 VanDerWaalsContact O-CA 3.3Å; I1581-T1822 WeakPolarHBondContact O-CA 3.47Å; I1581-V1823 PolarHBondContact N-O 2.76Å; I1581-V1823 PolarHBondContact O-N 3.42Å |
| 1582 | P | 87.6 | Confident | 70.6 | Confident | 50 Ų | 50 | 76 Ų | 76 | 33% | 0.325 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 142 | 171.7 | -23.3 | 35.3 | 0 | 0 | 0 | 111.8 | I1584 E1585 L1586 | P1582-I1584 PolarHBondContact O-N 2.89Å; P1582-I1584 VanDerWaalsContact O-N 3.09Å; P1582-E1585 HydrophobicContact CB-CG 4.47Å; P1582-E1585 PolarHBondContact O-N 3.05Å; P1582-L1586 PolarHBondContact O-N 3.2Å |
| 1583 | I | 86.9 | Confident | 73.5 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -57.2 | -29.9 | -177.3 | 53.1 | 174.6 | 0 | 0 | 0 | 114.6 | E1585 L1586 L1817 N1821 V1823 | I1583-E1585 VanDerWaalsContact C-N 3.27Å; I1583-E1585 PolarHBondContact O-N 3.4Å; I1583-L1586 WeakPolarHBondContact O-CB 2.99Å; I1583-L1586 PolarHBondContact O-N 2.72Å; I1583-L1817 HydrophobicContact CG2-CD2 3.13Å; I1583-N1821 HydrophobicContact CD1-CB 3.89Å; I1583-N1821 HydrophobicContact CG1-CB 4.19Å; I1583-N1821 WeakPolarHBondContact CG2-O 3.42Å; I1583-N1821 PolarHBondContact N-O 3.47Å; I1583-N1821 VanDerWaalsContact N-O 3.17Å; I1583-V1823 HydrophobicContact CG2-CG2 4.36Å |
| 1584 | I | 85.4 | Confident | 76.5 | Confident | 149 Ų | 149 | 70.2 Ų | 70.2 | 76% | 0.764 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -69.7 | -27.9 | 179.5 | 77.9 | 175.2 | 0 | 0 | 0 | 111.8 | P1582 | P1582-I1584 PolarHBondContact O-N 2.89Å; P1582-I1584 VanDerWaalsContact O-N 3.09Å |
| 1585 | E | 87.6 | Confident | 78.6 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 41% | 0.407 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -91.6 | -9.6 | -179.4 | -64.7 | -176.6 | -137 | 0 | 0 | 113.1 | I1581 P1582 I1583 A1587 D1588 H1589 | I1581-E1585 HydrophobicContact CG2-CB 4.28Å; P1582-E1585 HydrophobicContact CB-CG 4.47Å; P1582-E1585 PolarHBondContact O-N 3.05Å; I1583-E1585 VanDerWaalsContact C-N 3.27Å; I1583-E1585 PolarHBondContact O-N 3.4Å; E1585-A1587 VanDerWaalsContact C-N 3.29Å; E1585-A1587 PolarHBondContact O-N 3.1Å; E1585-D1588 PolarHBondContact O-N 2.92Å; E1585-H1589 VanDerWaalsContact O-CB 3.26Å; E1585-H1589 WeakPolarHBondContact O-CB 3.26Å; E1585-H1589 PolarHBondContact O-N 2.75Å |
| 1586 | L | 91.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.1 | -37.6 | -170.2 | -177.2 | 65.7 | 0 | 0 | 0 | 112.9 | I1581 P1582 I1583 I1590 V1823 V1853 L1854 V1857 | I1581-L1586 HydrophobicContact CG2-CD1 4.48Å; P1582-L1586 PolarHBondContact O-N 3.2Å; I1583-L1586 WeakPolarHBondContact O-CB 2.99Å; I1583-L1586 PolarHBondContact O-N 2.72Å; L1586-I1590 HydrophobicContact CD1-CD1 3.92Å; L1586-I1590 HydrophobicContact CD1-CG1 4.48Å; L1586-I1590 HydrophobicContact CG-CD1 3.97Å; L1586-I1590 WeakPolarHBondContact O-CB 3.42Å; L1586-I1590 WeakPolarHBondContact O-CD1 3.05Å; L1586-I1590 VanDerWaalsContact O-CG1 3.29Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.42Å; L1586-I1590 PolarHBondContact O-N 3.26Å; L1586-V1823 HydrophobicContact CD1-CB 4.2Å; L1586-V1823 HydrophobicContact CD1-CG1 4.08Å; L1586-V1823 HydrophobicContact CD1-CG2 4.46Å; L1586-V1823 HydrophobicContact CD2-CG2 4.14Å; L1586-V1853 HydrophobicContact CD2-CG1 4.09Å; L1586-L1854 HydrophobicContact CD2-CB 4.36Å; L1586-L1854 HydrophobicContact CD2-CD1 4.21Å; L1586-L1854 HydrophobicContact CG-CD1 4.16Å; L1586-V1857 HydrophobicContact CD2-CB 4.39Å; L1586-V1857 HydrophobicContact CD2-CG2 4.03Å |
| 1587 | A | 87.8 | Confident | 82.4 | Confident | 31 Ų | 31 | 65 Ų | 65 | 26% | 0.256 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -53.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1585 H1589 I1590 E1591 L1854 | E1585-A1587 VanDerWaalsContact C-N 3.29Å; E1585-A1587 PolarHBondContact O-N 3.1Å; A1587-H1589 VanDerWaalsContact C-N 3.28Å; A1587-H1589 PolarHBondContact O-N 3.2Å; A1587-I1590 PolarHBondContact O-N 3.03Å; A1587-I1590 VanDerWaalsContact O-N 3.11Å; A1587-E1591 PolarHBondContact O-N 3.17Å; A1587-L1854 HydrophobicContact CB-CD1 3.99Å |
| 1588 | D | 84.7 | Confident | 84.2 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.5 | -29.5 | -178.7 | -63.7 | -1.6 | 0 | 0 | 0 | 112.1 | E1585 R1592 | E1585-D1588 PolarHBondContact O-N 2.92Å; D1588-R1592 WeakPolarHBondContact O-CB 3.47Å; D1588-R1592 WeakPolarHBondContact O-CG 3.4Å; D1588-R1592 PolarHBondContact O-N 3.07Å; D1588-R1592 PolarHBondContact O-NE 3.07Å |
| 1589 | H | 88.9 | Confident | 84.5 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -50 | 169.2 | -174.8 | 98.1 | 0 | 0 | 0 | 110.9 | I1581 E1585 A1587 R1592 L1593 | I1581-H1589 WeakPolarHBondContact CD1-NE2 3.1Å; I1581-H1589 HydrophobicContact CG2-CB 4.14Å; E1585-H1589 VanDerWaalsContact O-CB 3.26Å; E1585-H1589 WeakPolarHBondContact O-CB 3.26Å; E1585-H1589 PolarHBondContact O-N 2.75Å; A1587-H1589 VanDerWaalsContact C-N 3.28Å; A1587-H1589 PolarHBondContact O-N 3.2Å; H1589-R1592 WeakPolarHBondContact O-CB 3.36Å; H1589-R1592 PolarHBondContact O-N 3Å; H1589-L1593 WeakPolarHBondContact NE2-CD1 3.49Å; H1589-L1593 WeakPolarHBondContact O-CG 3.1Å; H1589-L1593 PolarHBondContact O-N 3.26Å |
| 1590 | I | 92 | Very high | 84.7 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.4 | -38 | -180 | -69.6 | 166.1 | 0 | 0 | 0 | 111.8 | L1586 A1587 R1592 L1593 K1594 F1601 H1850 L1854 | L1586-I1590 HydrophobicContact CD1-CD1 3.92Å; L1586-I1590 HydrophobicContact CD1-CG1 4.48Å; L1586-I1590 HydrophobicContact CG-CD1 3.97Å; L1586-I1590 WeakPolarHBondContact O-CB 3.42Å; L1586-I1590 WeakPolarHBondContact O-CD1 3.05Å; L1586-I1590 VanDerWaalsContact O-CG1 3.29Å; L1586-I1590 WeakPolarHBondContact O-CG1 3.42Å; L1586-I1590 PolarHBondContact O-N 3.26Å; A1587-I1590 PolarHBondContact O-N 3.03Å; A1587-I1590 VanDerWaalsContact O-N 3.11Å; I1590-R1592 VanDerWaalsContact C-N 3.35Å; I1590-R1592 PolarHBondContact O-N 3.18Å; I1590-L1593 PolarHBondContact O-N 2.96Å; I1590-K1594 HydrophobicContact CG2-CD 4Å; I1590-K1594 HydrophobicContact CG2-CG 4.23Å; I1590-K1594 WeakPolarHBondContact O-CB 3.37Å; I1590-K1594 WeakPolarHBondContact O-CG 3.41Å; I1590-K1594 PolarHBondContact O-N 3.47Å; I1590-F1601 HydrophobicContact CG2-CE2 4.45Å; I1590-H1850 HydrophobicContact CD1-CB 3.83Å; I1590-H1850 WeakPolarHBondContact CD1-O 3.14Å; I1590-H1850 HydrophobicContact CG1-CB 4.07Å; I1590-L1854 HydrophobicContact CD1-CB 3.76Å; I1590-L1854 HydrophobicContact CD1-CD2 3.95Å; I1590-L1854 HydrophobicContact CD1-CG 4.3Å; I1590-L1854 HydrophobicContact CG2-CD2 4.43Å |
| 1591 | E | 87.8 | Confident | 85 | Confident | 146 Ų | 146 | 58.8 Ų | 58.8 | 68% | 0.682 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.8 | -38.9 | 172.3 | -70.2 | -146.4 | 156.3 | 0 | 0 | 112.1 | A1587 A1595 | A1587-E1591 PolarHBondContact O-N 3.17Å; E1591-A1595 PolarHBondContact O-N 3.41Å |
| 1592 | R | 85.5 | Confident | 84.8 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 44% | 0.438 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 171.7 | -80.1 | 177.5 | -71.6 | 170.2 | -5.9 | 111.6 | R796 D1588 H1589 I1590 | R796-R1592 PolarHBondContact NH2-O 3.4Å; D1588-R1592 WeakPolarHBondContact O-CB 3.47Å; D1588-R1592 WeakPolarHBondContact O-CG 3.4Å; D1588-R1592 PolarHBondContact O-N 3.07Å; D1588-R1592 PolarHBondContact O-NE 3.07Å; H1589-R1592 WeakPolarHBondContact O-CB 3.36Å; H1589-R1592 PolarHBondContact O-N 3Å; I1590-R1592 VanDerWaalsContact C-N 3.35Å; I1590-R1592 PolarHBondContact O-N 3.18Å |
| 1593 | L | 88.7 | Confident | 84.7 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | -179.5 | -67.6 | -171.9 | 0 | 0 | 0 | 113.6 | H1589 I1590 L1600 F1601 | H1589-L1593 WeakPolarHBondContact NE2-CD1 3.49Å; H1589-L1593 WeakPolarHBondContact O-CG 3.1Å; H1589-L1593 PolarHBondContact O-N 3.26Å; I1590-L1593 PolarHBondContact O-N 2.96Å; L1593-L1600 HydrophobicContact CD2-CB 3.82Å; L1593-L1600 HydrophobicContact CD2-CD1 4.26Å; L1593-F1601 HydrophobicContact CB-CD1 4.15Å; L1593-F1601 HydrophobicContact CB-CD2 3.57Å; L1593-F1601 HydrophobicContact CB-CE1 4.2Å; L1593-F1601 HydrophobicContact CB-CE2 3.67Å; L1593-F1601 HydrophobicContact CB-CG 3.81Å; L1593-F1601 HydrophobicContact CB-CZ 3.97Å; L1593-F1601 HydrophobicContact CD1-CD1 3.67Å; L1593-F1601 HydrophobicContact CD1-CD2 4.49Å; L1593-F1601 HydrophobicContact CD1-CE1 3.34Å; L1593-F1601 HydrophobicContact CD1-CE2 4.24Å; L1593-F1601 HydrophobicContact CD1-CG 4.22Å; L1593-F1601 HydrophobicContact CD1-CZ 3.66Å; L1593-F1601 HydrophobicContact CG-CE1 4.42Å; L1593-F1601 HydrophobicContact CG-CZ 4.49Å; L1593-F1601 PolarHBondContact O-N 3.45Å |
| 1594 | K | 86.9 | Confident | 84.8 | Confident | 58 Ų | 58 | 61 Ų | 61 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.1 | -36.6 | -175.2 | -76.7 | -171.2 | 164 | 178.8 | 0 | 115.2 | I1590 N1598 F1601 D1851 | I1590-K1594 HydrophobicContact CG2-CD 4Å; I1590-K1594 HydrophobicContact CG2-CG 4.23Å; I1590-K1594 WeakPolarHBondContact O-CB 3.37Å; I1590-K1594 WeakPolarHBondContact O-CG 3.41Å; I1590-K1594 PolarHBondContact O-N 3.47Å; K1594-N1598 WeakPolarHBondContact O-CA 3.31Å; K1594-N1598 PolarHBondContact O-N 3.19Å; K1594-F1601 HydrophobicContact CG-CD2 3.88Å; K1594-F1601 HydrophobicContact CG-CE2 3.61Å; K1594-D1851 IonicContact NZ-OD1 3.09Å; K1594-D1851 PolarHBondContact NZ-OD1 2.96Å; K1594-D1851 IonicContact NZ-OD2 3.61Å; K1594-D1851 PolarHBondContact NZ-OD2 3.22Å |
| 1595 | A | 71.9 | Confident | 85.2 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 153.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R796 E1591 | R796-A1595 VanDerWaalsContact NH2-C 3.29Å; R796-A1595 PolarHBondContact NH2-O 3.21Å; E1591-A1595 PolarHBondContact O-N 3.41Å |
| 1596 | N | 70.7 | Confident | 85.2 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 47.7 | -155 | -55.8 | 36.5 | 0 | 0 | 0 | 112.5 | R740 L741 V742 R796 N1598 L1599 | R740-N1596 WeakPolarHBondContact CG-ND2 3.29Å; R740-N1596 PolarHBondContact O-ND2 2.88Å; L741-N1596 PolarHBondContact O-ND2 3.13Å; V742-N1596 HydrophobicContact CG2-CB 4.09Å; V742-N1596 VanDerWaalsContact CG2-CG 3.44Å; V742-N1596 WeakPolarHBondContact CG2-ND2 3.41Å; R796-N1596 WeakPolarHBondContact CD-OD1 3.38Å; R796-N1596 WeakPolarHBondContact CG-OD1 3.5Å; R796-N1596 PolarHBondContact NE-OD1 3.4Å; N1596-N1598 VanDerWaalsContact C-N 3.34Å; N1596-N1598 PolarHBondContact O-N 3.39Å; N1596-L1599 HydrophobicContact CB-CB 4.16Å; N1596-L1599 HydrophobicContact CB-CD2 4.44Å; N1596-L1599 WeakPolarHBondContact O-CB 3.46Å; N1596-L1599 PolarHBondContact O-N 2.99Å |
| 1597 | D | 74.8 | Confident | 85 | Confident | 147 Ų | 147 | 60.4 Ų | 60.4 | 79% | 0.786 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 49.1 | 173.2 | -154.3 | 27.6 | 0 | 0 | 0 | 112.9 | L1599 | D1597-L1599 PolarHBondContact O-N 3.07Š|
| 1598 | N | 85 | Confident | 84.9 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 8.8 | -176.9 | -50.7 | -65.3 | 0 | 0 | 0 | 116.5 | K1594 N1596 L1600 F1601 S1602 I1847 | K1594-N1598 WeakPolarHBondContact O-CA 3.31Å; K1594-N1598 PolarHBondContact O-N 3.19Å; N1596-N1598 VanDerWaalsContact C-N 3.34Å; N1596-N1598 PolarHBondContact O-N 3.39Å; N1598-L1600 CarbonylContact O-C 3.43Å; N1598-L1600 PolarHBondContact O-N 3.49Å; N1598-F1601 HydrophobicContact CB-CB 4.04Å; N1598-F1601 CarbonylContact O-C 3.54Å; N1598-F1601 VanDerWaalsContact O-CA 3.32Å; N1598-F1601 WeakPolarHBondContact O-CA 2.97Å; N1598-F1601 VanDerWaalsContact O-CB 3.23Å; N1598-F1601 WeakPolarHBondContact O-CB 2.98Å; N1598-F1601 PolarHBondContact O-N 3.27Å; N1598-S1602 PolarHBondContact O-N 2.89Å; N1598-S1602 PolarHBondContact O-OG 3.25Å; N1598-S1602 VanDerWaalsContact O-OG 3.04Å; N1598-I1847 HydrophobicContact CB-CD1 4Å |
| 1599 | L | 78.3 | Confident | 84.1 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.2 | -11.5 | -174.6 | -174.1 | 68.2 | 0 | 0 | 0 | 115.7 | R740 N1596 D1597 | R740-L1599 PolarHBondContact NH1-O 3.26Å; R740-L1599 VanDerWaalsContact NH2-C 3.34Å; R740-L1599 PolarHBondContact NH2-O 2.94Å; N1596-L1599 HydrophobicContact CB-CB 4.16Å; N1596-L1599 HydrophobicContact CB-CD2 4.44Å; N1596-L1599 WeakPolarHBondContact O-CB 3.46Å; N1596-L1599 PolarHBondContact O-N 2.99Å; D1597-L1599 PolarHBondContact O-N 3.07Å |
| 1600 | L | 80.3 | Confident | 82.8 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -88.3 | -45.3 | 165.9 | -98.3 | -171.9 | 0 | 0 | 0 | 111.1 | L1593 N1598 S1602 K1603 E1604 | L1593-L1600 HydrophobicContact CD2-CB 3.82Å; L1593-L1600 HydrophobicContact CD2-CD1 4.26Å; N1598-L1600 CarbonylContact O-C 3.43Å; N1598-L1600 PolarHBondContact O-N 3.49Å; L1600-S1602 VanDerWaalsContact C-N 3.29Å; L1600-S1602 PolarHBondContact O-N 3.22Å; L1600-K1603 PolarHBondContact O-N 3.24Å; L1600-E1604 PolarHBondContact O-N 3.1Å |
| 1601 | F | 92.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -50.8 | -44.4 | 169.5 | -101.7 | -48.9 | 0 | 0 | 0 | 113.4 | I1590 L1593 K1594 N1598 E1604 Y1605 Y1846 I1847 H1850 | I1590-F1601 HydrophobicContact CG2-CE2 4.45Å; L1593-F1601 HydrophobicContact CB-CD1 4.15Å; L1593-F1601 HydrophobicContact CB-CD2 3.57Å; L1593-F1601 HydrophobicContact CB-CE1 4.2Å; L1593-F1601 HydrophobicContact CB-CE2 3.67Å; L1593-F1601 HydrophobicContact CB-CG 3.81Å; L1593-F1601 HydrophobicContact CB-CZ 3.97Å; L1593-F1601 HydrophobicContact CD1-CD1 3.67Å; L1593-F1601 HydrophobicContact CD1-CD2 4.49Å; L1593-F1601 HydrophobicContact CD1-CE1 3.34Å; L1593-F1601 HydrophobicContact CD1-CE2 4.24Å; L1593-F1601 HydrophobicContact CD1-CG 4.22Å; L1593-F1601 HydrophobicContact CD1-CZ 3.66Å; L1593-F1601 HydrophobicContact CG-CE1 4.42Å; L1593-F1601 HydrophobicContact CG-CZ 4.49Å; L1593-F1601 PolarHBondContact O-N 3.45Å; K1594-F1601 HydrophobicContact CG-CD2 3.88Å; K1594-F1601 HydrophobicContact CG-CE2 3.61Å; N1598-F1601 HydrophobicContact CB-CB 4.04Å; N1598-F1601 CarbonylContact O-C 3.54Å; N1598-F1601 VanDerWaalsContact O-CA 3.32Å; N1598-F1601 WeakPolarHBondContact O-CA 2.97Å; N1598-F1601 VanDerWaalsContact O-CB 3.23Å; N1598-F1601 WeakPolarHBondContact O-CB 2.98Å; N1598-F1601 PolarHBondContact O-N 3.27Å; F1601-E1604 PolarHBondContact O-N 3.16Å; F1601-Y1605 VanDerWaalsContact O-CB 3.29Å; F1601-Y1605 WeakPolarHBondContact O-CB 3.37Å; F1601-Y1605 PolarHBondContact O-N 3.1Å; F1601-Y1846 AromaticContact CD1-CD1 3.78Å; F1601-Y1846 HydrophobicContact CD1-CD1 3.78Å; F1601-Y1846 AromaticContact CD1-CE1 3.93Å; F1601-Y1846 HydrophobicContact CD1-CE1 3.93Å; F1601-Y1846 AromaticContact CE1-CD1 3.98Å; F1601-Y1846 HydrophobicContact CE1-CD1 3.98Å; F1601-Y1846 HydrophobicContact CE1-CE1 4.03Å; F1601-I1847 HydrophobicContact CB-CD1 4.34Å; F1601-I1847 HydrophobicContact CB-CG1 4.17Å; F1601-I1847 HydrophobicContact CD1-CG1 4.02Å; F1601-I1847 HydrophobicContact CD2-CD1 4.21Å; F1601-I1847 HydrophobicContact CD2-CG1 3.68Å; F1601-I1847 HydrophobicContact CD2-CG2 4.49Å; F1601-I1847 HydrophobicContact CE1-CG1 4.36Å; F1601-I1847 HydrophobicContact CE2-CB 4.46Å; F1601-I1847 HydrophobicContact CE2-CG1 4.01Å; F1601-I1847 HydrophobicContact CE2-CG2 4.16Å; F1601-I1847 HydrophobicContact CG-CD1 4.31Å; F1601-I1847 HydrophobicContact CG-CG1 3.7Å; F1601-I1847 HydrophobicContact CZ-CG1 4.36Å; F1601-H1850 HydrophobicContact CE1-CB 4.19Å; F1601-H1850 AromaticContact CE1-CD2 3.96Å; F1601-H1850 AromaticContact CE1-CE1 3.69Å; F1601-H1850 AromaticContact CE1-CG 3.59Å; F1601-H1850 AromaticContact CE1-ND1 3.42Å; F1601-H1850 WeakPolarHBondContact CE1-ND1 3.49Å; F1601-H1850 HydrophobicContact CZ-CB 3.67Å; F1601-H1850 AromaticContact CZ-CD2 3.97Å; F1601-H1850 AromaticContact CZ-CG 3.53Å; F1601-H1850 AromaticContact CZ-ND1 3.85Å |
| 1602 | S | 87.4 | Confident | 79.2 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 179.1 | -32.1 | 0 | 0 | 0 | 0 | 111 | N1598 L1600 E1604 Y1605 E1606 E1843 | N1598-S1602 PolarHBondContact O-N 2.89Å; N1598-S1602 PolarHBondContact O-OG 3.25Å; N1598-S1602 VanDerWaalsContact O-OG 3.04Å; L1600-S1602 VanDerWaalsContact C-N 3.29Å; L1600-S1602 PolarHBondContact O-N 3.22Å; S1602-E1604 PolarHBondContact O-N 3.25Å; S1602-Y1605 PolarHBondContact O-N 2.81Å; S1602-E1606 VanDerWaalsContact O-CB 3.28Å; S1602-E1606 WeakPolarHBondContact O-CB 3.28Å; S1602-E1606 WeakPolarHBondContact O-CG 3.41Å; S1602-E1606 PolarHBondContact O-N 2.98Å; S1602-E1843 VanDerWaalsContact CA-OE1 3.3Å; S1602-E1843 WeakPolarHBondContact CA-OE1 3.49Å; S1602-E1843 VanDerWaalsContact CB-OE1 3.29Å; S1602-E1843 WeakPolarHBondContact CB-OE1 3.39Å; S1602-E1843 PolarHBondContact N-OE1 3.39Å; S1602-E1843 PolarHBondContact OG-OE1 2.78Å |
| 1603 | K | 84.3 | Confident | 77.9 | Confident | 130 Ų | 130 | 61.7 Ų | 61.7 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 178.2 | -76.4 | -164.6 | 170.7 | -151.1 | 0 | 112.9 | L1600 S1607 | L1600-K1603 PolarHBondContact O-N 3.24Å; K1603-S1607 WeakPolarHBondContact O-CB 3.29Å; K1603-S1607 PolarHBondContact O-N 3Å; K1603-S1607 VanDerWaalsContact O-N 3.13Å |
| 1604 | E | 89.9 | Confident | 77.2 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 176.9 | -175.6 | 176.2 | 115 | 0 | 0 | 110.2 | H1578 L1600 F1601 S1602 E1606 S1607 Y1826 Y1846 | H1578-E1604 IonicContact CD2-OE2 2.73Å; L1600-E1604 PolarHBondContact O-N 3.1Å; F1601-E1604 PolarHBondContact O-N 3.16Å; S1602-E1604 PolarHBondContact O-N 3.25Å; E1604-E1606 PolarHBondContact O-N 3.19Å; E1604-S1607 PolarHBondContact O-N 3.44Å; E1604-S1607 VanDerWaalsContact O-N 3.1Å; E1604-S1607 PolarHBondContact O-OG 3.29Å; E1604-Y1826 HydrophobicContact CG-CD2 3.75Å; E1604-Y1826 HydrophobicContact CG-CE2 4.26Å; E1604-Y1846 HydrophobicContact CG-CE1 4.24Å; E1604-Y1846 WeakPolarHBondContact OE1-CE1 3.31Å; E1604-Y1846 VanDerWaalsContact OE1-CZ 3.28Å; E1604-Y1846 PolarHBondContact OE1-OH 2.88Å |
| 1605 | Y | 93.2 | Very high | 77.2 | Confident | 38 Ų | 38 | 63 Ų | 63 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 179.6 | 178.1 | -100.7 | 0 | 0 | 0 | 113.6 | F1601 S1602 S1607 I1608 R1833 V1840 Q1841 T1842 E1843 Y1846 | F1601-Y1605 VanDerWaalsContact O-CB 3.29Å; F1601-Y1605 WeakPolarHBondContact O-CB 3.37Å; F1601-Y1605 PolarHBondContact O-N 3.1Å; S1602-Y1605 PolarHBondContact O-N 2.81Å; Y1605-S1607 VanDerWaalsContact C-N 3.3Å; Y1605-I1608 HydrophobicContact CD2-CD1 4.42Å; Y1605-I1608 PolarHBondContact O-N 2.89Å; Y1605-R1833 PolarHBondContact OH-NH2 2.9Å; Y1605-V1840 HydrophobicContact CE2-CG1 4.42Å; Y1605-V1840 PolarHBondContact OH-O 3.49Å; Y1605-Q1841 PolarHBondContact OH-O 3.34Å; Y1605-Q1841 VanDerWaalsContact OH-O 3.09Å; Y1605-T1842 PolarHBondContact OH-N 3.43Å; Y1605-E1843 HydrophobicContact CD1-CB 4.02Å; Y1605-E1843 HydrophobicContact CE1-CB 4.36Å; Y1605-E1843 HydrophobicContact CG-CB 4.38Å; Y1605-Y1846 HydrophobicContact CD2-CD1 4.21Å; Y1605-Y1846 AromaticContact CD2-CD2 3.9Å; Y1605-Y1846 HydrophobicContact CD2-CD2 3.9Å; Y1605-Y1846 AromaticContact CD2-CG 3.64Å; Y1605-Y1846 HydrophobicContact CD2-CG 3.64Å; Y1605-Y1846 HydrophobicContact CE2-CG 4.45Å; Y1605-Y1846 HydrophobicContact CG-CG 4.43Å |
| 1606 | E | 87.5 | Confident | 78 | Confident | 153 Ų | 153 | 66.3 Ų | 66.3 | 72% | 0.715 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.4 | -28 | 175 | -76.2 | 172.9 | 166.6 | 0 | 0 | 112.7 | S1602 E1604 I1608 | S1602-E1606 VanDerWaalsContact O-CB 3.28Å; S1602-E1606 WeakPolarHBondContact O-CB 3.28Å; S1602-E1606 WeakPolarHBondContact O-CG 3.41Å; S1602-E1606 PolarHBondContact O-N 2.98Å; E1604-E1606 PolarHBondContact O-N 3.19Å; E1606-I1608 VanDerWaalsContact C-N 3.34Å |
| 1607 | S | 86.3 | Confident | 79 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -7.1 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 114.8 | K1603 E1604 Y1605 E1609 Y1826 | K1603-S1607 WeakPolarHBondContact O-CB 3.29Å; K1603-S1607 PolarHBondContact O-N 3Å; K1603-S1607 VanDerWaalsContact O-N 3.13Å; E1604-S1607 PolarHBondContact O-N 3.44Å; E1604-S1607 VanDerWaalsContact O-N 3.1Å; E1604-S1607 PolarHBondContact O-OG 3.29Å; Y1605-S1607 VanDerWaalsContact C-N 3.3Å; S1607-E1609 PolarHBondContact O-N 3.46Å; S1607-Y1826 PolarHBondContact O-OH 2.89Å; S1607-Y1826 WeakPolarHBondContact OG-CE2 3.36Å |
| 1608 | I | 86.6 | Confident | 80 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -79.3 | 93.8 | 179.8 | -53.7 | 168.5 | 0 | 0 | 0 | 109.9 | Y1605 E1606 Y1826 V1829 A1830 R1833 Y1846 | Y1605-I1608 HydrophobicContact CD2-CD1 4.42Å; Y1605-I1608 PolarHBondContact O-N 2.89Å; E1606-I1608 VanDerWaalsContact C-N 3.34Å; I1608-Y1826 HydrophobicContact CB-CE2 4.45Å; I1608-Y1826 HydrophobicContact CD1-CD2 4.14Å; I1608-Y1826 HydrophobicContact CD1-CE2 4.35Å; I1608-Y1826 HydrophobicContact CG1-CD2 3.67Å; I1608-Y1826 HydrophobicContact CG1-CE2 3.4Å; I1608-V1829 HydrophobicContact CD1-CB 4.24Å; I1608-V1829 HydrophobicContact CD1-CG1 3.97Å; I1608-V1829 HydrophobicContact CG2-CG1 4.18Å; I1608-A1830 HydrophobicContact CG2-CB 4.08Å; I1608-R1833 PolarHBondContact O-NH1 2.86Å; I1608-Y1846 HydrophobicContact CD1-CD2 4.17Å; I1608-Y1846 HydrophobicContact CD1-CE2 3.5Å |
| 1609 | E | 68.7 | Low | 80.4 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | trans | -52.9 | 148.7 | -178.3 | -67.6 | -169.3 | -146.3 | 0 | 0 | 114.8 | S1574 S1607 Q1612 | S1574-E1609 VanDerWaalsContact CB-OE1 3.27Å; S1574-E1609 WeakPolarHBondContact CB-OE1 3.45Å; S1574-E1609 PolarHBondContact OG-OE1 3.02Å; S1607-E1609 PolarHBondContact O-N 3.46Å; E1609-Q1612 PolarHBondContact OE2-NE2 3.48Å | ||
| 1610 | T | 60.6 | Low | 81 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | trans | -90.2 | 107.9 | 167.4 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | Q1612 | T1610-Q1612 WeakPolarHBondContact O-CG 3.4Å; T1610-Q1612 PolarHBondContact O-N 2.69Å; T1610-Q1612 VanDerWaalsContact O-N 3.09Å | ||
| 1611 | G | 52.1 | Low | 81.6 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | trans | -44 | 110.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1613 | G1611-H1613 VanDerWaalsContact C-N 3.27Å; G1611-H1613 PolarHBondContact O-N 3.33Å; G1611-H1613 VanDerWaalsContact O-N 3.08Å | ||
| 1612 | Q | 51.5 | Low | 81.4 | Confident | 142 Ų | 142 | 72.3 Ų | 72.3 | 66% | 0.664 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 3.8 | -155.5 | -54.6 | -166.9 | 33.3 | 0 | 0 | 116.1 | E1609 T1610 | E1609-Q1612 PolarHBondContact OE2-NE2 3.48Å; T1610-Q1612 WeakPolarHBondContact O-CG 3.4Å; T1610-Q1612 PolarHBondContact O-N 2.69Å; T1610-Q1612 VanDerWaalsContact O-N 3.09Å |
| 1613 | H | 59.7 | Low | 81.6 | Confident | 137 Ų | 137 | 74.2 Ų | 74.2 | 63% | 0.634 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | 14.6 | -172.1 | -60.5 | -40.8 | 0 | 0 | 0 | 115.3 | T1571 G1611 | T1571-H1613 PolarHBondContact OG1-CD2 3.03Å; G1611-H1613 VanDerWaalsContact C-N 3.27Å; G1611-H1613 PolarHBondContact O-N 3.33Å; G1611-H1613 VanDerWaalsContact O-N 3.08Å |
| 1614 | S | 74 | Confident | 82.2 | Confident | 21 Ų | 21 | 68 Ų | 68 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | trans | -83.7 | 132.4 | 175.2 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | W1616 H1638 | S1614-W1616 WeakPolarHBondContact O-CZ3 3.31Å; S1614-H1638 PolarHBondContact OG-CE1 3.33Å; S1614-H1638 VanDerWaalsContact OG-CE1 3.25Å | ||
| 1615 | T | 85.7 | Confident | 82.3 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | trans | -86.7 | 165.1 | 167.7 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | Y1636 D1637 | T1615-Y1636 CarbonylContact O-C 3.57Å; T1615-Y1636 VanDerWaalsContact O-CA 3.23Å; T1615-Y1636 WeakPolarHBondContact O-CA 3.29Å; T1615-D1637 WeakPolarHBondContact CB-OD2 3.48Å; T1615-D1637 PolarHBondContact O-N 2.96Å; T1615-D1637 PolarHBondContact OG1-OD2 2.78Å | ||
| 1616 | W | 89.7 | Confident | 82.3 | Confident | 105 Ų | 105 | 74 Ų | 74 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | trans | -148.6 | 36.3 | 176.9 | 51.5 | 79.3 | 0 | 0 | 0 | 112.3 | S1614 H1618 S1619 N1620 I1634 A1635 Y1636 D1637 | S1614-W1616 WeakPolarHBondContact O-CZ3 3.31Å; W1616-H1618 VanDerWaalsContact C-N 3.33Å; W1616-H1618 PolarHBondContact O-N 2.83Å; W1616-S1619 WeakPolarHBondContact O-CA 3.37Å; W1616-S1619 VanDerWaalsContact O-CB 3.27Å; W1616-S1619 WeakPolarHBondContact O-CB 3.26Å; W1616-S1619 PolarHBondContact O-N 2.97Å; W1616-N1620 VanDerWaalsContact CD1-ND2 3.33Å; W1616-N1620 PolarHBondContact NE1-ND2 3.18Å; W1616-N1620 PolarHBondContact O-N 2.86Å; W1616-I1634 HydrophobicContact CB-CB 4.12Å; W1616-I1634 HydrophobicContact CB-CD1 3.62Å; W1616-I1634 HydrophobicContact CB-CG1 3.81Å; W1616-I1634 HydrophobicContact CD2-CD1 3.8Å; W1616-I1634 HydrophobicContact CD2-CG1 4.01Å; W1616-I1634 HydrophobicContact CE3-CD1 3.94Å; W1616-I1634 HydrophobicContact CG-CB 4.32Å; W1616-I1634 HydrophobicContact CG-CD1 3.69Å; W1616-I1634 HydrophobicContact CG-CG1 3.63Å; W1616-A1635 WeakPolarHBondContact CB-O 3.35Å; W1616-Y1636 AromaticContact CE3-CD1 3.86Å; W1616-Y1636 HydrophobicContact CE3-CD1 3.86Å; W1616-Y1636 AromaticContact CE3-CE1 3.76Å; W1616-Y1636 HydrophobicContact CE3-CE1 3.76Å; W1616-Y1636 HydrophobicContact CZ3-CE1 4.11Å; W1616-D1637 VanDerWaalsContact CA-OD2 3.24Å; W1616-D1637 WeakPolarHBondContact CA-OD2 3.25Å; W1616-D1637 PolarHBondContact N-OD2 2.87Å | ||
| 1617 | D | 91.3 | Very high | 82.7 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | -170.5 | -66 | -32.2 | 0 | 0 | 0 | 112.1 | S1619 N1620 L1621 D1637 | D1617-S1619 VanDerWaalsContact C-N 3.26Å; D1617-S1619 PolarHBondContact O-N 3.17Å; D1617-N1620 CarbonylContact O-C 3.47Å; D1617-N1620 WeakPolarHBondContact O-CA 3.42Å; D1617-N1620 PolarHBondContact O-N 3.39Å; D1617-L1621 PolarHBondContact O-N 2.75Å; D1617-L1621 VanDerWaalsContact O-N 3.12Å; D1617-D1637 PolarHBondContact N-OD1 3.39Å; D1617-D1637 PolarHBondContact N-OD2 3.39Å |
| 1618 | H | 94.8 | Very high | 83.1 | Confident | 66 Ų | 66 | 67.3 Ų | 67.3 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.9 | -31.7 | 175 | -61.8 | 87.2 | 0 | 0 | 0 | 112 | W1616 N1620 N1624 D1637 R1640 Y1654 | W1616-H1618 VanDerWaalsContact C-N 3.33Å; W1616-H1618 PolarHBondContact O-N 2.83Å; H1618-N1620 PolarHBondContact O-N 3.42Å; H1618-N1624 VanDerWaalsContact O-CB 3.22Å; H1618-N1624 WeakPolarHBondContact O-CB 3.34Å; H1618-N1624 PolarHBondContact O-ND2 2.76Å; H1618-D1637 WeakPolarHBondContact CB-OD1 3.33Å; H1618-D1637 IonicContact CE1-OD1 3.56Å; H1618-D1637 IonicContact CG-OD1 3.16Å; H1618-D1637 PolarHBondContact N-OD1 3.22Å; H1618-D1637 VanDerWaalsContact N-OD1 3.07Å; H1618-D1637 IonicContact ND1-OD1 3.89Å; H1618-D1637 PolarHBondContact ND1-OD1 2.87Å; H1618-R1640 PolarHBondContact CD2-NH2 2.73Å; H1618-R1640 PolarHBondContact ND1-NE 2.9Å; H1618-R1640 PolarHBondContact NE2-NH2 2.87Å; H1618-Y1654 HydrophobicContact CB-CD2 3.92Å; H1618-Y1654 HydrophobicContact CB-CE2 4.41Å |
| 1619 | S | 93.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.8 | -24.2 | 173.4 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | W1616 D1617 N1628 A1635 Y1654 | W1616-S1619 WeakPolarHBondContact O-CA 3.37Å; W1616-S1619 VanDerWaalsContact O-CB 3.27Å; W1616-S1619 WeakPolarHBondContact O-CB 3.26Å; W1616-S1619 PolarHBondContact O-N 2.97Å; D1617-S1619 VanDerWaalsContact C-N 3.26Å; D1617-S1619 PolarHBondContact O-N 3.17Å; S1619-N1628 PolarHBondContact O-ND2 3.22Å; S1619-A1635 PolarHBondContact OG-N 3.43Å; S1619-A1635 PolarHBondContact OG-O 2.86Å; S1619-Y1654 WeakPolarHBondContact CB-OH 3.45Å; S1619-Y1654 PolarHBondContact OG-OH 2.87Å; S1619-Y1654 VanDerWaalsContact OG-OH 3.05Å |
| 1620 | N | 91.6 | Very high | 84.7 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -96.9 | -8.1 | -176.1 | -92.6 | -16.8 | 0 | 0 | 0 | 114.7 | W1616 D1617 H1618 K1625 | W1616-N1620 VanDerWaalsContact CD1-ND2 3.33Å; W1616-N1620 PolarHBondContact NE1-ND2 3.18Å; W1616-N1620 PolarHBondContact O-N 2.86Å; D1617-N1620 CarbonylContact O-C 3.47Å; D1617-N1620 WeakPolarHBondContact O-CA 3.42Å; D1617-N1620 PolarHBondContact O-N 3.39Å; H1618-N1620 PolarHBondContact O-N 3.42Å; N1620-K1625 WeakPolarHBondContact O-CE 3.25Å |
| 1621 | L | 91.9 | Very high | 86 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -58.5 | 139.2 | 172.1 | -65.6 | 176.3 | 0 | 0 | 0 | 110.6 | D1617 C1623 N1624 K1625 | D1617-L1621 PolarHBondContact O-N 2.75Å; D1617-L1621 VanDerWaalsContact O-N 3.12Å; L1621-C1623 PolarHBondContact O-N 2.83Å; L1621-N1624 HydrophobicContact CB-CB 4.21Å; L1621-N1624 CarbonylContact O-C 3.49Å; L1621-N1624 WeakPolarHBondContact O-CA 3.14Å; L1621-N1624 WeakPolarHBondContact O-CB 3.35Å; L1621-N1624 PolarHBondContact O-N 2.84Å; L1621-K1625 PolarHBondContact O-N 2.89Å |
| 1622 | E | 89.3 | Confident | 87.6 | Confident | 142 Ų | 142 | 72.5 Ų | 72.5 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31.8 | -172.6 | -158.5 | 63.1 | -141.4 | 0 | 0 | 113.1 | N1624 K1625 P1626 | E1622-N1624 VanDerWaalsContact C-N 3.26Å; E1622-N1624 PolarHBondContact O-N 3.37Å; E1622-K1625 IonicContact OE1-NZ 3.87Å; E1622-K1625 WeakPolarHBondContact OE2-CE 3.47Å; E1622-K1625 IonicContact OE2-NZ 2.76Å; E1622-K1625 PolarHBondContact OE2-NZ 3.02Å; E1622-P1626 VanDerWaalsContact O-CD 3.31Å; E1622-P1626 WeakPolarHBondContact O-CD 3.02Å |
| 1623 | C | 92.2 | Very high | 89.4 | Confident | 58 Ų | 58 | 66 Ų | 66 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19.7 | 172.7 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | L1621 | L1621-C1623 PolarHBondContact O-N 2.83Š|
| 1624 | N | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -22.8 | -175 | -68.1 | -11.4 | 0 | 0 | 0 | 113 | H1618 L1621 E1622 P1626 K1627 G1651 Y1654 | H1618-N1624 VanDerWaalsContact O-CB 3.22Å; H1618-N1624 WeakPolarHBondContact O-CB 3.34Å; H1618-N1624 PolarHBondContact O-ND2 2.76Å; L1621-N1624 HydrophobicContact CB-CB 4.21Å; L1621-N1624 CarbonylContact O-C 3.49Å; L1621-N1624 WeakPolarHBondContact O-CA 3.14Å; L1621-N1624 WeakPolarHBondContact O-CB 3.35Å; L1621-N1624 PolarHBondContact O-N 2.84Å; E1622-N1624 VanDerWaalsContact C-N 3.26Å; E1622-N1624 PolarHBondContact O-N 3.37Å; N1624-P1626 VanDerWaalsContact C-CD 3.48Å; N1624-P1626 VanDerWaalsContact C-N 3.34Å; N1624-K1627 WeakPolarHBondContact O-CA 3.46Å; N1624-K1627 VanDerWaalsContact O-CB 3.28Å; N1624-K1627 WeakPolarHBondContact O-CB 3.4Å; N1624-K1627 PolarHBondContact O-N 3.15Å; N1624-G1651 VanDerWaalsContact OD1-CA 3.28Å; N1624-G1651 WeakPolarHBondContact OD1-CA 3.26Å; N1624-G1651 PolarHBondContact OD1-O 2.9Å; N1624-Y1654 HydrophobicContact CB-CD1 3.6Å; N1624-Y1654 HydrophobicContact CB-CE1 3.94Å; N1624-Y1654 HydrophobicContact CB-CG 4.08Å; N1624-Y1654 WeakPolarHBondContact ND2-CB 3.27Å |
| 1625 | K | 92.2 | Very high | 91.9 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -50.7 | -44.3 | 172.8 | -69 | 176.7 | -172.5 | 169.1 | 0 | 113.3 | N1620 L1621 E1622 K1627 N1628 | N1620-K1625 WeakPolarHBondContact O-CE 3.25Å; L1621-K1625 PolarHBondContact O-N 2.89Å; E1622-K1625 IonicContact OE1-NZ 3.87Å; E1622-K1625 WeakPolarHBondContact OE2-CE 3.47Å; E1622-K1625 IonicContact OE2-NZ 2.76Å; E1622-K1625 PolarHBondContact OE2-NZ 3.02Å; K1625-K1627 PolarHBondContact O-N 2.82Å; K1625-N1628 PolarHBondContact O-N 2.85Å; K1625-N1628 VanDerWaalsContact O-N 3.13Å |
| 1626 | P | 93.1 | Very high | 92.3 | Very high | 86 Ų | 86 | 56.3 Ų | 56.3 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -67.2 | -16.2 | 176.6 | -20.1 | 34.2 | 0 | 0 | 0 | 114 | E1622 N1624 N1628 M1676 | E1622-P1626 VanDerWaalsContact O-CD 3.31Å; E1622-P1626 WeakPolarHBondContact O-CD 3.02Å; N1624-P1626 VanDerWaalsContact C-CD 3.48Å; N1624-P1626 VanDerWaalsContact C-N 3.34Å; P1626-N1628 VanDerWaalsContact C-N 3.28Å; P1626-M1676 WeakPolarHBondContact O-CE 3.35Å |
| 1627 | K | 95.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 13% | 0.13 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -81.8 | -2.9 | 175 | -57.9 | -177.7 | 170.6 | -161 | 0 | 112.7 | N1624 K1625 G1651 Y1654 Q1673 M1676 T1679 D1682 | N1624-K1627 WeakPolarHBondContact O-CA 3.46Å; N1624-K1627 VanDerWaalsContact O-CB 3.28Å; N1624-K1627 WeakPolarHBondContact O-CB 3.4Å; N1624-K1627 PolarHBondContact O-N 3.15Å; K1625-K1627 PolarHBondContact O-N 2.82Å; K1627-G1651 PolarHBondContact NZ-O 2.89Å; K1627-Y1654 HydrophobicContact CB-CD1 4.27Å; K1627-Y1654 HydrophobicContact CB-CE1 4.12Å; K1627-Y1654 HydrophobicContact CD-CD1 3.93Å; K1627-Y1654 PolarHBondContact NZ-O 3.29Å; K1627-Y1654 VanDerWaalsContact NZ-O 3.14Å; K1627-Q1673 PolarHBondContact O-NE2 3.37Å; K1627-M1676 VanDerWaalsContact C-CE 3.46Å; K1627-M1676 WeakPolarHBondContact O-CE 3.37Å; K1627-T1679 HydrophobicContact CB-CG2 3.89Å; K1627-T1679 HydrophobicContact CG-CG2 4.15Å; K1627-D1682 WeakPolarHBondContact CE-OD2 3.29Å; K1627-D1682 IonicContact NZ-OD2 2.67Å; K1627-D1682 PolarHBondContact NZ-OD2 3.44Å |
| 1628 | N | 95.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | trans | -102.4 | 114.7 | 179.9 | -59.6 | -32.8 | 0 | 0 | 0 | 111.1 | S1619 K1625 P1626 Y1630 Y1654 N1656 | S1619-N1628 PolarHBondContact O-ND2 3.22Å; K1625-N1628 PolarHBondContact O-N 2.85Å; K1625-N1628 VanDerWaalsContact O-N 3.13Å; P1626-N1628 VanDerWaalsContact C-N 3.28Å; N1628-Y1630 PolarHBondContact O-N 3.46Å; N1628-Y1654 WeakPolarHBondContact OD1-CE1 3.33Å; N1628-Y1654 PolarHBondContact OD1-OH 2.82Å; N1628-N1656 PolarHBondContact OD1-ND2 2.92Å | ||
| 1629 | R | 94.8 | Very high | 92.4 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -62.4 | -28.9 | 177.9 | -174.1 | -177.9 | -69.4 | -82.5 | 6.1 | 112.8 | G1674 P1675 M1676 D1710 | R1629-G1674 VanDerWaalsContact CZ-O 3.27Å; R1629-G1674 PolarHBondContact NE-O 3.05Å; R1629-G1674 PolarHBondContact NH2-O 2.84Å; R1629-P1675 PolarHBondContact NH2-O 2.76Å; R1629-M1676 WeakPolarHBondContact CA-SD 3.4Å; R1629-M1676 HydrophobicContact CB-CE 4.36Å; R1629-M1676 HydrophobicContact CB-CG 4.15Å; R1629-M1676 HydrophobicContact CB-SD 3.7Å; R1629-M1676 HydrophobicContact CG-CG 4.34Å; R1629-M1676 HydrophobicContact CG-SD 4.05Å; R1629-D1710 IonicContact CZ-OD2 2.85Å; R1629-D1710 IonicContact NH1-OD2 3.52Å; R1629-D1710 PolarHBondContact NH1-OD2 2.84Å; R1629-D1710 IonicContact NH2-OD2 2.7Å; R1629-D1710 PolarHBondContact NH2-OD2 3.45Å |
| 1630 | Y | 93.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -133.1 | 116 | 174.9 | -62.3 | -81.7 | 0 | 0 | 0 | 108.4 | N1628 N1632 V1633 S1798 A1799 | N1628-Y1630 PolarHBondContact O-N 3.46Å; Y1630-N1632 PolarHBondContact O-N 3.46Å; Y1630-N1632 VanDerWaalsContact O-N 3.07Å; Y1630-V1633 PolarHBondContact O-N 2.81Å; Y1630-S1798 PolarHBondContact OH-OG 3.15Å; Y1630-S1798 VanDerWaalsContact OH-OG 3.05Å; Y1630-A1799 HydrophobicContact CD2-CB 3.63Å; Y1630-A1799 HydrophobicContact CE2-CB 3.78Å |
| 1631 | A | 87.1 | Confident | 92.9 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 75% | 0.752 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1632 | N | 86.7 | Confident | 93.1 | Very high | 98 Ų | 98 | 48 Ų | 48 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 1.6 | 176.3 | 75.5 | -79 | 0 | 0 | 0 | 114.2 | Y1630 Y1838 | Y1630-N1632 PolarHBondContact O-N 3.46Å; Y1630-N1632 VanDerWaalsContact O-N 3.07Å; N1632-Y1838 VanDerWaalsContact O-CE2 3.31Å; N1632-Y1838 WeakPolarHBondContact O-CE2 3.41Å |
| 1633 | V | 90.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -118.1 | 89.5 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | Y1630 N1656 A1799 V1801 | Y1630-V1633 PolarHBondContact O-N 2.81Å; V1633-N1656 PolarHBondContact O-ND2 2.85Å; V1633-A1799 HydrophobicContact CG1-CB 4.32Å; V1633-A1799 HydrophobicContact CG2-CB 4.26Å; V1633-V1801 HydrophobicContact CG1-CG1 3.55Å; V1633-V1801 HydrophobicContact CG1-CG2 4.29Å |
| 1634 | I | 90.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 8% | 0.077 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -100.9 | 159.9 | -174.1 | 48.3 | 59.2 | 0 | 0 | 0 | 111.5 | W1616 Y1636 S1837 | W1616-I1634 HydrophobicContact CB-CB 4.12Å; W1616-I1634 HydrophobicContact CB-CD1 3.62Å; W1616-I1634 HydrophobicContact CB-CG1 3.81Å; W1616-I1634 HydrophobicContact CD2-CD1 3.8Å; W1616-I1634 HydrophobicContact CD2-CG1 4.01Å; W1616-I1634 HydrophobicContact CE3-CD1 3.94Å; W1616-I1634 HydrophobicContact CG-CB 4.32Å; W1616-I1634 HydrophobicContact CG-CD1 3.69Å; W1616-I1634 HydrophobicContact CG-CG1 3.63Å; I1634-Y1636 HydrophobicContact CD1-CD1 3.65Å; I1634-Y1636 HydrophobicContact CD1-CE1 3.61Å; I1634-S1837 PolarHBondContact O-OG 3.29Å; I1634-S1837 VanDerWaalsContact O-OG 3.11Å |
| 1635 | A | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 127.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | W1616 S1619 R1640 Y1654 N1658 | W1616-A1635 WeakPolarHBondContact CB-O 3.35Å; S1619-A1635 PolarHBondContact OG-N 3.43Å; S1619-A1635 PolarHBondContact OG-O 2.86Å; A1635-R1640 HydrophobicContact CB-CB 4.21Å; A1635-Y1654 HydrophobicContact CB-CE2 4.35Å; A1635-N1658 VanDerWaalsContact CA-OD1 3.28Å; A1635-N1658 WeakPolarHBondContact CA-OD1 3.39Å; A1635-N1658 WeakPolarHBondContact CB-OD1 3.39Å |
| 1636 | Y | 93.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 139 | 172.6 | -61.2 | -37.7 | 0 | 0 | 0 | 110.9 | T1615 W1616 I1634 H1638 S1639 R1640 N1658 S1834 S1837 | T1615-Y1636 CarbonylContact O-C 3.57Å; T1615-Y1636 VanDerWaalsContact O-CA 3.23Å; T1615-Y1636 WeakPolarHBondContact O-CA 3.29Å; W1616-Y1636 AromaticContact CE3-CD1 3.86Å; W1616-Y1636 HydrophobicContact CE3-CD1 3.86Å; W1616-Y1636 AromaticContact CE3-CE1 3.76Å; W1616-Y1636 HydrophobicContact CE3-CE1 3.76Å; W1616-Y1636 HydrophobicContact CZ3-CE1 4.11Å; I1634-Y1636 HydrophobicContact CD1-CD1 3.65Å; I1634-Y1636 HydrophobicContact CD1-CE1 3.61Å; Y1636-H1638 PolarHBondContact O-N 2.67Å; Y1636-S1639 PolarHBondContact O-N 2.86Å; Y1636-S1639 PolarHBondContact O-OG 2.76Å; Y1636-R1640 WeakPolarHBondContact O-CB 3.41Å; Y1636-R1640 PolarHBondContact O-N 3.1Å; Y1636-N1658 PolarHBondContact N-ND2 2.91Å; Y1636-N1658 PolarHBondContact O-ND2 3.35Å; Y1636-N1658 VanDerWaalsContact O-ND2 3.09Å; Y1636-S1834 VanDerWaalsContact CD2-O 3.23Å; Y1636-S1834 WeakPolarHBondContact CD2-O 3.27Å; Y1636-S1834 WeakPolarHBondContact CE2-O 3.48Å; Y1636-S1837 WeakPolarHBondContact OH-CA 3.41Å |
| 1637 | D | 92.7 | Very high | 93.1 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -35.2 | -169.8 | -61.8 | -55 | 0 | 0 | 0 | 113.4 | T1615 W1616 D1617 H1618 S1639 | T1615-D1637 WeakPolarHBondContact CB-OD2 3.48Å; T1615-D1637 PolarHBondContact O-N 2.96Å; T1615-D1637 PolarHBondContact OG1-OD2 2.78Å; W1616-D1637 VanDerWaalsContact CA-OD2 3.24Å; W1616-D1637 WeakPolarHBondContact CA-OD2 3.25Å; W1616-D1637 PolarHBondContact N-OD2 2.87Å; D1617-D1637 PolarHBondContact N-OD1 3.39Å; D1617-D1637 PolarHBondContact N-OD2 3.39Å; H1618-D1637 WeakPolarHBondContact CB-OD1 3.33Å; H1618-D1637 IonicContact CE1-OD1 3.56Å; H1618-D1637 IonicContact CG-OD1 3.16Å; H1618-D1637 PolarHBondContact N-OD1 3.22Å; H1618-D1637 VanDerWaalsContact N-OD1 3.07Å; H1618-D1637 IonicContact ND1-OD1 3.89Å; H1618-D1637 PolarHBondContact ND1-OD1 2.87Å; D1637-S1639 PolarHBondContact O-N 2.85Å |
| 1638 | H | 91.5 | Very high | 92.7 | Very high | 118 Ų | 118 | 49.6 Ų | 49.6 | 55% | 0.546 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -21.7 | -176.1 | 74.4 | -96.8 | 0 | 0 | 0 | 113.7 | S1614 Y1636 S1834 | S1614-H1638 PolarHBondContact OG-CE1 3.33Å; S1614-H1638 VanDerWaalsContact OG-CE1 3.25Å; Y1636-H1638 PolarHBondContact O-N 2.67Å; H1638-S1834 PolarHBondContact CE1-O 3.44Å; H1638-S1834 VanDerWaalsContact CE1-O 3.23Å |
| 1639 | S | 94 | Very high | 92.4 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | -1 | -174.2 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | Y1636 D1637 N1658 Y1659 Q1835 | Y1636-S1639 PolarHBondContact O-N 2.86Å; Y1636-S1639 PolarHBondContact O-OG 2.76Å; D1637-S1639 PolarHBondContact O-N 2.85Å; S1639-N1658 CarbonylContact O-C 3.39Å; S1639-N1658 VanDerWaalsContact O-CA 3.29Å; S1639-N1658 WeakPolarHBondContact O-CA 3.37Å; S1639-N1658 PolarHBondContact OG-ND2 2.93Å; S1639-Y1659 WeakPolarHBondContact O-CD2 3.26Å; S1639-Y1659 PolarHBondContact O-N 2.8Å; S1639-Q1835 PolarHBondContact OG-O 2.9Å |
| 1640 | R | 96.7 | Very high | 92.1 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 149.7 | -177.7 | 75.2 | -177.6 | -178.8 | 97.3 | -10.6 | 111.2 | H1618 A1635 Y1636 V1642 D1653 A1657 N1658 | H1618-R1640 PolarHBondContact CD2-NH2 2.73Å; H1618-R1640 PolarHBondContact ND1-NE 2.9Å; H1618-R1640 PolarHBondContact NE2-NH2 2.87Å; A1635-R1640 HydrophobicContact CB-CB 4.21Å; Y1636-R1640 WeakPolarHBondContact O-CB 3.41Å; Y1636-R1640 PolarHBondContact O-N 3.1Å; R1640-V1642 HydrophobicContact CG-CG2 3.98Å; R1640-V1642 PolarHBondContact O-N 2.92Å; R1640-D1653 IonicContact CZ-OD2 3.3Å; R1640-D1653 VanDerWaalsContact CZ-OD2 3.22Å; R1640-D1653 PolarHBondContact NH1-O 3.46Å; R1640-D1653 IonicContact NH1-OD2 2.65Å; R1640-D1653 PolarHBondContact NH1-OD2 3.32Å; R1640-D1653 IonicContact NH2-OD2 3.17Å; R1640-D1653 PolarHBondContact NH2-OD2 3.2Å; R1640-A1657 WeakPolarHBondContact CA-O 3.11Å; R1640-N1658 PolarHBondContact N-ND2 3.5Å |
| 1641 | V | 98.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.1 | 165.8 | -170.5 | 0 | 0 | 0 | 0 | 108 | L1643 I1655 A1657 Y1659 I1670 M1686 E1690 | V1641-L1643 HydrophobicContact CG1-CD2 4.27Å; V1641-I1655 HydrophobicContact CB-CG2 4.23Å; V1641-A1657 HydrophobicContact CB-CB 4.25Å; V1641-A1657 HydrophobicContact CG2-CB 3.87Å; V1641-A1657 PolarHBondContact N-O 2.93Å; V1641-Y1659 HydrophobicContact CB-CE2 4.47Å; V1641-Y1659 HydrophobicContact CG2-CD1 4.43Å; V1641-Y1659 HydrophobicContact CG2-CD2 4.34Å; V1641-Y1659 HydrophobicContact CG2-CE1 4.26Å; V1641-Y1659 HydrophobicContact CG2-CE2 4.16Å; V1641-Y1659 HydrophobicContact CG2-CG 4.48Å; V1641-I1670 HydrophobicContact CG1-CD1 4.46Å; V1641-I1670 HydrophobicContact CG2-CB 4.5Å; V1641-I1670 HydrophobicContact CG2-CD1 3.91Å; V1641-I1670 HydrophobicContact CG2-CG1 3.85Å; V1641-I1670 HydrophobicContact CG2-CG2 3.84Å; V1641-M1686 HydrophobicContact CB-SD 4.26Å; V1641-M1686 HydrophobicContact CG1-CG 3.8Å; V1641-M1686 HydrophobicContact CG1-SD 4.12Å; V1641-M1686 HydrophobicContact CG2-SD 4.28Å; V1641-E1690 HydrophobicContact CG1-CG 4.1Å |
| 1642 | V | 97.2 | Very high | 92.3 | Very high | 80 Ų | 80 | 49 Ų | 49 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 114.1 | -178.3 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | R1640 D1653 | R1640-V1642 HydrophobicContact CG-CG2 3.98Å; R1640-V1642 PolarHBondContact O-N 2.92Å; V1642-D1653 HydrophobicContact CG1-CB 4.38Å |
| 1643 | L | 97.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -84 | 154.7 | 178.6 | -52.1 | -177.2 | 0 | 0 | 0 | 110.9 | V1641 P1645 D1653 I1655 D1682 M1686 | V1641-L1643 HydrophobicContact CG1-CD2 4.27Å; L1643-P1645 WeakPolarHBondContact O-CD 3.47Å; L1643-D1653 PolarHBondContact N-O 3.23Å; L1643-D1653 VanDerWaalsContact O-CA 3.3Å; L1643-D1653 WeakPolarHBondContact O-CA 3.34Å; L1643-I1655 HydrophobicContact CD1-CB 4.03Å; L1643-I1655 HydrophobicContact CD1-CG2 3.98Å; L1643-I1655 HydrophobicContact CD2-CG2 4.05Å; L1643-I1655 HydrophobicContact CG-CB 4.49Å; L1643-I1655 HydrophobicContact CG-CG2 3.94Å; L1643-D1682 HydrophobicContact CD1-CB 3.83Å; L1643-M1686 HydrophobicContact CD2-CB 3.7Å; L1643-M1686 HydrophobicContact CD2-CG 3.94Å |
| 1644 | S | 93.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 124 | 173.4 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | V1646 R1685 E1689 | S1644-V1646 PolarHBondContact O-N 2.81Å; S1644-R1685 PolarHBondContact O-NH1 3.15Å; S1644-E1689 WeakPolarHBondContact CB-OE2 3.34Å; S1644-E1689 PolarHBondContact N-OE2 2.84Å; S1644-E1689 PolarHBondContact OG-OE2 2.85Å |
| 1645 | P | 92.9 | Very high | 93.4 | Very high | 107 Ų | 107 | 45 Ų | 45 | 70% | 0.695 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 132.4 | -179.7 | -26.4 | 35.2 | 0 | 0 | 0 | 112.7 | L1643 D1653 | L1643-P1645 WeakPolarHBondContact O-CD 3.47Å; P1645-D1653 HydrophobicContact CG-CB 4.34Å |
| 1646 | V | 90.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 119 | 174.3 | -177 | 0 | 0 | 0 | 0 | 108.6 | S1644 G1648 I1649 S1652 | S1644-V1646 PolarHBondContact O-N 2.81Å; V1646-G1648 PolarHBondContact O-N 3.14Å; V1646-I1649 HydrophobicContact CB-CB 4.42Å; V1646-I1649 HydrophobicContact CB-CD1 4.33Å; V1646-I1649 HydrophobicContact CG1-CD1 3.8Å; V1646-I1649 HydrophobicContact CG1-CG1 4.23Å; V1646-I1649 PolarHBondContact O-N 3.18Å; V1646-S1652 PolarHBondContact N-OG 3.42Å; V1646-S1652 PolarHBondContact O-OG 3.44Å |
| 1647 | S | 86.8 | Confident | 93.7 | Very high | 125 Ų | 125 | 44.4 Ų | 44.4 | 87% | 0.874 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.1 | -176.6 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | I1649 | S1647-I1649 VanDerWaalsContact C-N 3.33Å; S1647-I1649 PolarHBondContact O-N 3.44Å |
| 1648 | G | 87.9 | Confident | 94 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 88% | 0.876 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -5.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | V1646 | V1646-G1648 PolarHBondContact O-N 3.14Š|
| 1649 | I | 89.5 | Confident | 94.3 | Very high | 104 Ų | 104 | 39 Ų | 39 | 53% | 0.533 | 26% | 0.264 | S | S | . | . | trans | -112.7 | 105.4 | -178.4 | -52.5 | -176.7 | 0 | 0 | 0 | 110.3 | V1646 S1647 S1652 | V1646-I1649 HydrophobicContact CB-CB 4.42Å; V1646-I1649 HydrophobicContact CB-CD1 4.33Å; V1646-I1649 HydrophobicContact CG1-CD1 3.8Å; V1646-I1649 HydrophobicContact CG1-CG1 4.23Å; V1646-I1649 PolarHBondContact O-N 3.18Å; S1647-I1649 VanDerWaalsContact C-N 3.33Å; S1647-I1649 PolarHBondContact O-N 3.44Å; I1649-S1652 VanDerWaalsContact O-CB 3.23Å; I1649-S1652 WeakPolarHBondContact O-CB 3.25Å; I1649-S1652 PolarHBondContact O-N 2.9Å; I1649-S1652 PolarHBondContact O-OG 3.38Å | ||
| 1650 | A | 88 | Confident | 94.5 | Very high | 81 Ų | 81 | 38.4 Ų | 38.4 | 67% | 0.669 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 139.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1652 | A1650-S1652 PolarHBondContact O-N 2.82Š|
| 1651 | G | 89.8 | Confident | 94.3 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 11.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1624 K1627 D1653 Y1654 | N1624-G1651 VanDerWaalsContact OD1-CA 3.28Å; N1624-G1651 WeakPolarHBondContact OD1-CA 3.26Å; N1624-G1651 PolarHBondContact OD1-O 2.9Å; K1627-G1651 PolarHBondContact NZ-O 2.89Å; G1651-D1653 PolarHBondContact O-N 2.57Å; G1651-Y1654 PolarHBondContact O-N 2.75Å |
| 1652 | S | 94.8 | Very high | 94 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -6.5 | 175.4 | 57.4 | 0 | 0 | 0 | 0 | 114 | V1646 I1649 A1650 R1685 | V1646-S1652 PolarHBondContact N-OG 3.42Å; V1646-S1652 PolarHBondContact O-OG 3.44Å; I1649-S1652 VanDerWaalsContact O-CB 3.23Å; I1649-S1652 WeakPolarHBondContact O-CB 3.25Å; I1649-S1652 PolarHBondContact O-N 2.9Å; I1649-S1652 PolarHBondContact O-OG 3.38Å; A1650-S1652 PolarHBondContact O-N 2.82Å; S1652-R1685 PolarHBondContact O-NH2 2.94Å |
| 1653 | D | 96 | Very high | 93.6 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.8 | 170.9 | 71.8 | -64.5 | 0 | 0 | 0 | 113.2 | R1640 V1642 L1643 P1645 G1651 | R1640-D1653 IonicContact CZ-OD2 3.3Å; R1640-D1653 VanDerWaalsContact CZ-OD2 3.22Å; R1640-D1653 PolarHBondContact NH1-O 3.46Å; R1640-D1653 IonicContact NH1-OD2 2.65Å; R1640-D1653 PolarHBondContact NH1-OD2 3.32Å; R1640-D1653 IonicContact NH2-OD2 3.17Å; R1640-D1653 PolarHBondContact NH2-OD2 3.2Å; V1642-D1653 HydrophobicContact CG1-CB 4.38Å; L1643-D1653 PolarHBondContact N-O 3.23Å; L1643-D1653 VanDerWaalsContact O-CA 3.3Å; L1643-D1653 WeakPolarHBondContact O-CA 3.34Å; P1645-D1653 HydrophobicContact CG-CB 4.34Å; G1651-D1653 PolarHBondContact O-N 2.57Å |
| 1654 | Y | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.2 | -170.2 | 177.1 | -92.8 | 0 | 0 | 0 | 113.8 | H1618 S1619 N1624 K1627 N1628 A1635 G1651 N1656 | H1618-Y1654 HydrophobicContact CB-CD2 3.92Å; H1618-Y1654 HydrophobicContact CB-CE2 4.41Å; S1619-Y1654 WeakPolarHBondContact CB-OH 3.45Å; S1619-Y1654 PolarHBondContact OG-OH 2.87Å; S1619-Y1654 VanDerWaalsContact OG-OH 3.05Å; N1624-Y1654 HydrophobicContact CB-CD1 3.6Å; N1624-Y1654 HydrophobicContact CB-CE1 3.94Å; N1624-Y1654 HydrophobicContact CB-CG 4.08Å; N1624-Y1654 WeakPolarHBondContact ND2-CB 3.27Å; K1627-Y1654 HydrophobicContact CB-CD1 4.27Å; K1627-Y1654 HydrophobicContact CB-CE1 4.12Å; K1627-Y1654 HydrophobicContact CD-CD1 3.93Å; K1627-Y1654 PolarHBondContact NZ-O 3.29Å; K1627-Y1654 VanDerWaalsContact NZ-O 3.14Å; N1628-Y1654 WeakPolarHBondContact OD1-CE1 3.33Å; N1628-Y1654 PolarHBondContact OD1-OH 2.82Å; A1635-Y1654 HydrophobicContact CB-CE2 4.35Å; G1651-Y1654 PolarHBondContact O-N 2.75Å; Y1654-N1656 HydrophobicContact CE1-CB 4.42Å; Y1654-N1656 WeakPolarHBondContact OH-CB 3.26Å |
| 1655 | I | 97.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.2 | 162.1 | -176.2 | 163.6 | 0 | 0 | 0 | 108.8 | V1641 L1643 A1657 D1682 F1683 M1686 | V1641-I1655 HydrophobicContact CB-CG2 4.23Å; L1643-I1655 HydrophobicContact CD1-CB 4.03Å; L1643-I1655 HydrophobicContact CD1-CG2 3.98Å; L1643-I1655 HydrophobicContact CD2-CG2 4.05Å; L1643-I1655 HydrophobicContact CG-CB 4.49Å; L1643-I1655 HydrophobicContact CG-CG2 3.94Å; I1655-A1657 HydrophobicContact CG1-CB 4.49Å; I1655-A1657 HydrophobicContact CG2-CB 4.09Å; I1655-A1657 PolarHBondContact O-N 2.87Å; I1655-D1682 HydrophobicContact CD1-CB 4.31Å; I1655-F1683 HydrophobicContact CD1-CB 4.16Å; I1655-M1686 HydrophobicContact CD1-CB 4.33Å; I1655-M1686 HydrophobicContact CD1-SD 3.97Å; I1655-M1686 HydrophobicContact CG2-SD 3.95Å |
| 1656 | N | 97.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 75.9 | 176.7 | -169.4 | -43.5 | 0 | 0 | 0 | 110.9 | N1628 V1633 Y1654 T1672 Q1673 R1836 | N1628-N1656 PolarHBondContact OD1-ND2 2.92Å; V1633-N1656 PolarHBondContact O-ND2 2.85Å; Y1654-N1656 HydrophobicContact CE1-CB 4.42Å; Y1654-N1656 WeakPolarHBondContact OH-CB 3.26Å; N1656-T1672 PolarHBondContact O-OG1 3.25Å; N1656-Q1673 HydrophobicContact CB-CG 4.21Å; N1656-Q1673 PolarHBondContact O-N 3.44Å; N1656-R1836 PolarHBondContact OD1-NH1 3.4Å; N1656-R1836 PolarHBondContact OD1-NH2 2.89Å |
| 1657 | A | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 145.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1640 V1641 I1655 I1670 A1671 M1686 | R1640-A1657 WeakPolarHBondContact CA-O 3.11Å; V1641-A1657 HydrophobicContact CB-CB 4.25Å; V1641-A1657 HydrophobicContact CG2-CB 3.87Å; V1641-A1657 PolarHBondContact N-O 2.93Å; I1655-A1657 HydrophobicContact CG1-CB 4.49Å; I1655-A1657 HydrophobicContact CG2-CB 4.09Å; I1655-A1657 PolarHBondContact O-N 2.87Å; A1657-I1670 HydrophobicContact CB-CG2 3.77Å; A1657-A1671 WeakPolarHBondContact CA-O 3.11Å; A1657-M1686 HydrophobicContact CB-SD 3.79Å |
| 1658 | N | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.1 | 172.3 | -60.4 | 88.8 | 0 | 0 | 0 | 110.1 | A1635 Y1636 S1639 R1640 I1670 A1671 R1836 | A1635-N1658 VanDerWaalsContact CA-OD1 3.28Å; A1635-N1658 WeakPolarHBondContact CA-OD1 3.39Å; A1635-N1658 WeakPolarHBondContact CB-OD1 3.39Å; Y1636-N1658 PolarHBondContact N-ND2 2.91Å; Y1636-N1658 PolarHBondContact O-ND2 3.35Å; Y1636-N1658 VanDerWaalsContact O-ND2 3.09Å; S1639-N1658 CarbonylContact O-C 3.39Å; S1639-N1658 VanDerWaalsContact O-CA 3.29Å; S1639-N1658 WeakPolarHBondContact O-CA 3.37Å; S1639-N1658 PolarHBondContact OG-ND2 2.93Å; R1640-N1658 PolarHBondContact N-ND2 3.5Å; N1658-I1670 CarbonylContact O-C 3.57Å; N1658-I1670 WeakPolarHBondContact O-CA 3.29Å; N1658-A1671 PolarHBondContact N-O 2.69Å; N1658-A1671 PolarHBondContact O-N 2.81Å; N1658-R1836 HydrophobicContact CB-CB 4.02Å; N1658-R1836 HydrophobicContact CB-CG 4.33Å; N1658-R1836 WeakPolarHBondContact OD1-CD 3.41Å; N1658-R1836 WeakPolarHBondContact OD1-CG 3.34Å; N1658-R1836 PolarHBondContact OD1-NH1 3.26Å |
| 1659 | Y | 98.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 34 Ų | 34 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 140.1 | 161.6 | -61.7 | -74.1 | 0 | 0 | 0 | 109.6 | S1639 V1641 K1667 Y1669 I1670 E1690 P1792 | S1639-Y1659 WeakPolarHBondContact O-CD2 3.26Å; S1639-Y1659 PolarHBondContact O-N 2.8Å; V1641-Y1659 HydrophobicContact CB-CE2 4.47Å; V1641-Y1659 HydrophobicContact CG2-CD1 4.43Å; V1641-Y1659 HydrophobicContact CG2-CD2 4.34Å; V1641-Y1659 HydrophobicContact CG2-CE1 4.26Å; V1641-Y1659 HydrophobicContact CG2-CE2 4.16Å; V1641-Y1659 HydrophobicContact CG2-CG 4.48Å; Y1659-K1667 HydrophobicContact CD1-CB 3.88Å; Y1659-K1667 HydrophobicContact CD1-CD 3.73Å; Y1659-K1667 HydrophobicContact CD1-CG 3.94Å; Y1659-K1667 HydrophobicContact CD2-CD 4.08Å; Y1659-K1667 HydrophobicContact CE1-CD 3.96Å; Y1659-K1667 HydrophobicContact CE2-CD 4.29Å; Y1659-K1667 HydrophobicContact CG-CB 4.32Å; Y1659-K1667 HydrophobicContact CG-CD 3.77Å; Y1659-K1667 HydrophobicContact CG-CG 3.92Å; Y1659-Y1669 WeakPolarHBondContact CA-O 3.39Å; Y1659-I1670 HydrophobicContact CD1-CD1 4.37Å; Y1659-I1670 HydrophobicContact CD1-CG1 3.83Å; Y1659-I1670 HydrophobicContact CE1-CD1 4.06Å; Y1659-I1670 HydrophobicContact CE1-CG1 4.04Å; Y1659-E1690 WeakPolarHBondContact CE1-OE2 3.35Å; Y1659-E1690 VanDerWaalsContact CZ-OE2 3.31Å; Y1659-E1690 PolarHBondContact OH-OE1 2.83Å; Y1659-E1690 VanDerWaalsContact OH-OE1 3.06Å; Y1659-E1690 PolarHBondContact OH-OE2 2.9Å; Y1659-P1792 HydrophobicContact CE1-CG 4.42Å |
| 1660 | I | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.2 | 169.8 | -51.2 | -67.1 | 0 | 0 | 0 | 107.9 | A1668 Y1669 A1671 I1808 I1832 Q1835 R1836 M1839 | I1660-A1668 PolarHBondContact O-N 3.18Å; I1660-Y1669 HydrophobicContact CB-CD2 4.46Å; I1660-Y1669 PolarHBondContact N-O 3.01Å; I1660-Y1669 PolarHBondContact O-N 3.26Å; I1660-A1671 HydrophobicContact CD1-CB 4.1Å; I1660-A1671 HydrophobicContact CG1-CB 3.5Å; I1660-A1671 VanDerWaalsContact CG1-CB 3.5Å; I1660-I1808 HydrophobicContact CB-CD1 4.41Å; I1660-I1808 HydrophobicContact CG1-CD1 4.36Å; I1660-I1808 HydrophobicContact CG2-CG2 3.91Å; I1660-I1832 HydrophobicContact CG2-CB 3.85Å; I1660-I1832 HydrophobicContact CG2-CG2 3.43Å; I1660-I1832 VanDerWaalsContact CG2-CG2 3.43Å; I1660-Q1835 HydrophobicContact CD1-CB 3.84Å; I1660-R1836 HydrophobicContact CD1-CB 3.83Å; I1660-M1839 HydrophobicContact CD1-CE 3.93Å; I1660-M1839 HydrophobicContact CD1-SD 4.46Å; I1660-M1839 HydrophobicContact CG1-CE 3.95Å |
| 1661 | D | 94 | Very high | 94.4 | Very high | 36 Ų | 36 | 25.2 Ų | 25.2 | 19% | 0.193 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 152.7 | 176.6 | -64.2 | -31.9 | 0 | 0 | 0 | 111.7 | S1666 K1667 I1812 Q1835 | D1661-S1666 WeakPolarHBondContact OD1-CA 3.4Å; D1661-S1666 WeakPolarHBondContact OD1-CB 3.46Å; D1661-S1666 PolarHBondContact OD1-OG 3.15Å; D1661-K1667 PolarHBondContact OD1-N 3.07Å; D1661-I1812 WeakPolarHBondContact O-CD1 3.39Å; D1661-Q1835 VanDerWaalsContact CG-NE2 3.34Å; D1661-Q1835 PolarHBondContact OD2-NE2 2.76Å |
| 1662 | G | 91.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 172 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1664 R1665 | G1662-A1664 PolarHBondContact O-N 3.39Å; G1662-A1664 VanDerWaalsContact O-N 3.1Å; G1662-R1665 WeakPolarHBondContact CA-O 3.47Å; G1662-R1665 PolarHBondContact N-O 3.14Å; G1662-R1665 PolarHBondContact O-N 2.58Å; G1662-R1665 VanDerWaalsContact O-N 3.08Å |
| 1663 | Y | 89.3 | Confident | 94.9 | Very high | 55 Ų | 55 | 24.8 Ų | 24.8 | 22% | 0.216 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 119.6 | 174.5 | -176.4 | -97.3 | 0 | 0 | 0 | 110.1 | R1665 D1815 R1816 Y1819 E1820 | Y1663-R1665 PolarHBondContact O-N 3.11Å; Y1663-D1815 HydrophobicContact CD1-CB 4.25Å; Y1663-D1815 HydrophobicContact CG-CB 4.39Å; Y1663-R1816 HydrophobicContact CD2-CB 3.51Å; Y1663-R1816 HydrophobicContact CD2-CG 3.87Å; Y1663-R1816 HydrophobicContact CE2-CB 3.67Å; Y1663-R1816 HydrophobicContact CE2-CG 3.52Å; Y1663-R1816 HydrophobicContact CG-CB 3.99Å; Y1663-Y1819 AromaticContact CD1-CD2 3.96Å; Y1663-Y1819 HydrophobicContact CD1-CD2 3.96Å; Y1663-Y1819 HydrophobicContact CD1-CE2 4.39Å; Y1663-Y1819 AromaticContact CE1-CD2 3.46Å; Y1663-Y1819 HydrophobicContact CE1-CD2 3.46Å; Y1663-Y1819 VanDerWaalsContact CE1-CD2 3.46Å; Y1663-Y1819 HydrophobicContact CE1-CE2 4.23Å; Y1663-Y1819 HydrophobicContact CE1-CG 4.01Å; Y1663-E1820 VanDerWaalsContact CE2-OE1 3.25Å; Y1663-E1820 WeakPolarHBondContact CE2-OE1 3.38Å; Y1663-E1820 PolarHBondContact OH-OE1 2.94Å |
| 1664 | A | 83.2 | Confident | 95 | Very high | 75 Ų | 75 | 23.3 Ų | 23.3 | 62% | 0.62 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 23 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1565 G1662 | Y1565-A1664 PolarHBondContact OH-O 3.18Å; G1662-A1664 PolarHBondContact O-N 3.39Å; G1662-A1664 VanDerWaalsContact O-N 3.1Å |
| 1665 | R | 85.7 | Confident | 94.9 | Very high | 99 Ų | 99 | 23.4 Ų | 23.4 | 37% | 0.374 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 99.8 | 175.6 | -177.6 | 179.3 | 175.7 | 158.2 | 2.7 | 111.3 | Y1565 G1662 Y1663 A1668 S1790 | Y1565-R1665 WeakPolarHBondContact OH-CA 3.41Å; Y1565-R1665 PolarHBondContact OH-N 3.46Å; Y1565-R1665 VanDerWaalsContact OH-N 3.1Å; G1662-R1665 WeakPolarHBondContact CA-O 3.47Å; G1662-R1665 PolarHBondContact N-O 3.14Å; G1662-R1665 PolarHBondContact O-N 2.58Å; G1662-R1665 VanDerWaalsContact O-N 3.08Å; Y1663-R1665 PolarHBondContact O-N 3.11Å; R1665-A1668 HydrophobicContact CB-CB 4.2Å; R1665-A1668 HydrophobicContact CG-CB 3.94Å; R1665-A1668 WeakPolarHBondContact O-CB 3.5Å; R1665-A1668 PolarHBondContact O-N 2.99Å; R1665-S1790 PolarHBondContact NH2-O 2.82Å |
| 1666 | S | 90.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 24.4 Ų | 24.4 | 41% | 0.406 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 146.4 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 112 | Y1565 D1661 A1668 | Y1565-S1666 PolarHBondContact OH-N 3.19Å; D1661-S1666 WeakPolarHBondContact OD1-CA 3.4Å; D1661-S1666 WeakPolarHBondContact OD1-CB 3.46Å; D1661-S1666 PolarHBondContact OD1-OG 3.15Å; S1666-A1668 VanDerWaalsContact C-N 3.27Å; S1666-A1668 PolarHBondContact O-N 3.41Å |
| 1667 | K | 93.8 | Very high | 94.6 | Very high | 105 Ų | 105 | 27 Ų | 27 | 46% | 0.457 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 41.7 | -175.5 | -54 | -169.6 | 173 | -166.5 | 0 | 113.3 | Y1659 D1661 Y1669 P1792 | Y1659-K1667 HydrophobicContact CD1-CB 3.88Å; Y1659-K1667 HydrophobicContact CD1-CD 3.73Å; Y1659-K1667 HydrophobicContact CD1-CG 3.94Å; Y1659-K1667 HydrophobicContact CD2-CD 4.08Å; Y1659-K1667 HydrophobicContact CE1-CD 3.96Å; Y1659-K1667 HydrophobicContact CE2-CD 4.29Å; Y1659-K1667 HydrophobicContact CG-CB 4.32Å; Y1659-K1667 HydrophobicContact CG-CD 3.77Å; Y1659-K1667 HydrophobicContact CG-CG 3.92Å; D1661-K1667 PolarHBondContact OD1-N 3.07Å; K1667-Y1669 VanDerWaalsContact C-N 3.31Å; K1667-P1792 WeakPolarHBondContact O-CB 3.28Å |
| 1668 | A | 94.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 34 Ų | 34 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -31.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1660 R1665 S1666 P1792 I1793 | I1660-A1668 PolarHBondContact O-N 3.18Å; R1665-A1668 HydrophobicContact CB-CB 4.2Å; R1665-A1668 HydrophobicContact CG-CB 3.94Å; R1665-A1668 WeakPolarHBondContact O-CB 3.5Å; R1665-A1668 PolarHBondContact O-N 2.99Å; S1666-A1668 VanDerWaalsContact C-N 3.27Å; S1666-A1668 PolarHBondContact O-N 3.41Å; A1668-P1792 WeakPolarHBondContact O-CA 3.33Å; A1668-I1793 PolarHBondContact O-N 3.2Å |
| 1669 | Y | 98.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 158.5 | -177.8 | -39.4 | -85.8 | 0 | 0 | 0 | 111.5 | Y1659 I1660 K1667 I1793 V1795 I1808 D1811 I1812 | Y1659-Y1669 WeakPolarHBondContact CA-O 3.39Å; I1660-Y1669 HydrophobicContact CB-CD2 4.46Å; I1660-Y1669 PolarHBondContact N-O 3.01Å; I1660-Y1669 PolarHBondContact O-N 3.26Å; K1667-Y1669 VanDerWaalsContact C-N 3.31Å; Y1669-I1793 CarbonylContact C-O 3.55Å; Y1669-I1793 VanDerWaalsContact CA-O 3.28Å; Y1669-I1793 WeakPolarHBondContact CA-O 3.25Å; Y1669-I1793 HydrophobicContact CD1-CB 4.15Å; Y1669-V1795 HydrophobicContact CD1-CG2 4.14Å; Y1669-I1808 HydrophobicContact CD1-CG1 4.08Å; Y1669-I1808 HydrophobicContact CD2-CB 4.45Å; Y1669-I1808 HydrophobicContact CD2-CD1 4.28Å; Y1669-I1808 HydrophobicContact CD2-CG1 4.04Å; Y1669-I1808 HydrophobicContact CD2-CG2 3.69Å; Y1669-I1808 HydrophobicContact CE2-CG1 4.47Å; Y1669-I1808 HydrophobicContact CE2-CG2 3.73Å; Y1669-I1808 HydrophobicContact CG-CD1 4Å; Y1669-I1808 HydrophobicContact CG-CG1 3.84Å; Y1669-I1808 HydrophobicContact CG-CG2 4.38Å; Y1669-D1811 PolarHBondContact OH-OD2 2.82Å; Y1669-I1812 HydrophobicContact CE2-CD1 4.25Å; Y1669-I1812 HydrophobicContact CE2-CG1 4.12Å |
| 1670 | I | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.4 | 159.4 | -73.3 | 166.8 | 0 | 0 | 0 | 107.7 | V1641 A1657 N1658 Y1659 M1686 E1690 P1792 I1793 V1794 V1795 | V1641-I1670 HydrophobicContact CG1-CD1 4.46Å; V1641-I1670 HydrophobicContact CG2-CB 4.5Å; V1641-I1670 HydrophobicContact CG2-CD1 3.91Å; V1641-I1670 HydrophobicContact CG2-CG1 3.85Å; V1641-I1670 HydrophobicContact CG2-CG2 3.84Å; A1657-I1670 HydrophobicContact CB-CG2 3.77Å; N1658-I1670 CarbonylContact O-C 3.57Å; N1658-I1670 WeakPolarHBondContact O-CA 3.29Å; Y1659-I1670 HydrophobicContact CD1-CD1 4.37Å; Y1659-I1670 HydrophobicContact CD1-CG1 3.83Å; Y1659-I1670 HydrophobicContact CE1-CD1 4.06Å; Y1659-I1670 HydrophobicContact CE1-CG1 4.04Å; I1670-M1686 HydrophobicContact CD1-CG 4.49Å; I1670-M1686 HydrophobicContact CD1-SD 4.41Å; I1670-M1686 HydrophobicContact CG2-CE 3.86Å; I1670-M1686 HydrophobicContact CG2-SD 3.88Å; I1670-E1690 HydrophobicContact CD1-CB 4.11Å; I1670-E1690 HydrophobicContact CD1-CG 3.71Å; I1670-P1792 HydrophobicContact CD1-CB 4.06Å; I1670-P1792 HydrophobicContact CD1-CG 3.47Å; I1670-P1792 VanDerWaalsContact CD1-CG 3.47Å; I1670-P1792 HydrophobicContact CG1-CB 3.86Å; I1670-P1792 HydrophobicContact CG1-CG 3.8Å; I1670-I1793 PolarHBondContact N-O 3.01Å; I1670-V1794 HydrophobicContact CB-CG2 4.34Å; I1670-V1794 HydrophobicContact CD1-CG2 4.46Å; I1670-V1795 PolarHBondContact O-N 2.73Å |
| 1671 | A | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 108.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A1657 N1658 I1660 T1804 I1808 R1836 M1839 | A1657-A1671 WeakPolarHBondContact CA-O 3.11Å; N1658-A1671 PolarHBondContact N-O 2.69Å; N1658-A1671 PolarHBondContact O-N 2.81Å; I1660-A1671 HydrophobicContact CD1-CB 4.1Å; I1660-A1671 HydrophobicContact CG1-CB 3.5Å; I1660-A1671 VanDerWaalsContact CG1-CB 3.5Å; A1671-T1804 HydrophobicContact CB-CG2 3.66Å; A1671-I1808 HydrophobicContact CB-CD1 4.34Å; A1671-R1836 PolarHBondContact O-NE 3.26Å; A1671-M1839 HydrophobicContact CB-CE 3.99Å; A1671-M1839 HydrophobicContact CB-SD 4.16Å |
| 1672 | T | 98.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.4 | -176.7 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | N1656 F1683 M1686 V1794 V1795 H1796 G1800 | N1656-T1672 PolarHBondContact O-OG1 3.25Å; T1672-F1683 HydrophobicContact CG2-CD2 4.49Å; T1672-F1683 HydrophobicContact CG2-CE2 4.05Å; T1672-M1686 HydrophobicContact CG2-CE 4.26Å; T1672-V1794 HydrophobicContact CG2-CG1 3.65Å; T1672-V1795 PolarHBondContact N-O 3.42Å; T1672-H1796 HydrophobicContact CG2-CB 3.72Å; T1672-H1796 WeakPolarHBondContact O-CA 3.13Å; T1672-H1796 WeakPolarHBondContact O-CB 3.46Å; T1672-G1800 WeakPolarHBondContact O-CA 3.45Å |
| 1673 | Q | 97.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 160.1 | 167.7 | 69.3 | 179.7 | 9.8 | 0 | 0 | 111.4 | K1627 N1656 P1675 | K1627-Q1673 PolarHBondContact O-NE2 3.37Å; N1656-Q1673 HydrophobicContact CB-CG 4.21Å; N1656-Q1673 PolarHBondContact O-N 3.44Å; Q1673-P1675 WeakPolarHBondContact O-CD 3.18Å |
| 1674 | G | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 122.3 | 165 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1629 M1676 C1709 H1796 C1797 S1798 | R1629-G1674 VanDerWaalsContact CZ-O 3.27Å; R1629-G1674 PolarHBondContact NE-O 3.05Å; R1629-G1674 PolarHBondContact NH2-O 2.84Å; G1674-M1676 PolarHBondContact O-N 3.47Å; G1674-C1709 WeakPolarHBondContact CA-SG 3.19Å; G1674-H1796 WeakPolarHBondContact CA-ND1 3.1Å; G1674-C1797 VanDerWaalsContact CA-O 3.27Å; G1674-C1797 WeakPolarHBondContact CA-O 3.38Å; G1674-C1797 PolarHBondContact N-O 2.84Å; G1674-S1798 PolarHBondContact N-O 2.81Å |
| 1675 | P | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 135.8 | -174.6 | -29 | 37 | 0 | 0 | 0 | 113.4 | R1629 Q1673 F1680 F1683 D1710 Y1712 | R1629-P1675 PolarHBondContact NH2-O 2.76Å; Q1673-P1675 WeakPolarHBondContact O-CD 3.18Å; P1675-F1680 HydrophobicContact CB-CD1 3.84Å; P1675-F1680 HydrophobicContact CB-CE1 4.15Å; P1675-F1683 HydrophobicContact CB-CB 4.14Å; P1675-F1683 HydrophobicContact CB-CD2 4.48Å; P1675-F1683 HydrophobicContact CB-CG 4.22Å; P1675-F1683 HydrophobicContact CG-CB 3.82Å; P1675-F1683 HydrophobicContact CG-CD1 3.96Å; P1675-F1683 HydrophobicContact CG-CD2 3.32Å; P1675-F1683 HydrophobicContact CG-CE1 4.39Å; P1675-F1683 HydrophobicContact CG-CE2 3.78Å; P1675-F1683 HydrophobicContact CG-CG 3.4Å; P1675-F1683 HydrophobicContact CG-CZ 4.3Å; P1675-D1710 PolarHBondContact O-N 3.17Å; P1675-Y1712 HydrophobicContact CB-CD1 4.04Å; P1675-Y1712 HydrophobicContact CB-CG 4.28Å; P1675-Y1712 HydrophobicContact CG-CD1 3.72Å; P1675-Y1712 HydrophobicContact CG-CE1 4.04Å; P1675-Y1712 HydrophobicContact CG-CG 4.1Å |
| 1676 | M | 95.2 | Very high | 96.2 | Very high | 25 Ų | 25 | 23.4 Ų | 23.4 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -90.7 | 160.3 | 167 | -60.1 | -177 | -61.9 | 0 | 0 | 109.8 | P1626 K1627 R1629 G1674 E1678 T1679 F1680 | P1626-M1676 WeakPolarHBondContact O-CE 3.35Å; K1627-M1676 VanDerWaalsContact C-CE 3.46Å; K1627-M1676 WeakPolarHBondContact O-CE 3.37Å; R1629-M1676 WeakPolarHBondContact CA-SD 3.4Å; R1629-M1676 HydrophobicContact CB-CE 4.36Å; R1629-M1676 HydrophobicContact CB-CG 4.15Å; R1629-M1676 HydrophobicContact CB-SD 3.7Å; R1629-M1676 HydrophobicContact CG-CG 4.34Å; R1629-M1676 HydrophobicContact CG-SD 4.05Å; G1674-M1676 PolarHBondContact O-N 3.47Å; M1676-E1678 PolarHBondContact O-N 2.94Å; M1676-T1679 HydrophobicContact CE-CG2 4.34Å; M1676-T1679 PolarHBondContact N-OG1 3.48Å; M1676-T1679 CarbonylContact O-C 3.49Å; M1676-T1679 WeakPolarHBondContact O-CA 3.33Å; M1676-T1679 PolarHBondContact O-N 2.91Å; M1676-T1679 PolarHBondContact O-OG1 3Å; M1676-F1680 VanDerWaalsContact C-CE1 3.47Å; M1676-F1680 WeakPolarHBondContact O-CD1 3.28Å; M1676-F1680 WeakPolarHBondContact O-CE1 3.39Å; M1676-F1680 PolarHBondContact O-N 2.74Å; M1676-F1680 VanDerWaalsContact O-N 3.13Å |
| 1677 | A | 92.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 20.7 Ų | 20.7 | 46% | 0.463 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -53.5 | -41.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1679 F1680 | A1677-T1679 PolarHBondContact O-N 2.9Å; A1677-F1680 HydrophobicContact CB-CE2 4.3Å; A1677-F1680 HydrophobicContact CB-CZ 4.36Å; A1677-F1680 PolarHBondContact O-N 3.41Å |
| 1678 | E | 91.3 | Very high | 96.7 | Very high | 145 Ų | 145 | 16.4 Ų | 16.4 | 68% | 0.678 | 9% | 0.092 | S | C | * | . | G | 310 helix | trans | -65.2 | -23.2 | 177.9 | -58.1 | 71.7 | -158.2 | 0 | 0 | 112.5 | M1676 | M1676-E1678 PolarHBondContact O-N 2.94Š|
| 1679 | T | 96.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -106.8 | -0.6 | -176.2 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | K1627 M1676 A1677 G1681 D1682 F1683 | K1627-T1679 HydrophobicContact CB-CG2 3.89Å; K1627-T1679 HydrophobicContact CG-CG2 4.15Å; M1676-T1679 HydrophobicContact CE-CG2 4.34Å; M1676-T1679 PolarHBondContact N-OG1 3.48Å; M1676-T1679 CarbonylContact O-C 3.49Å; M1676-T1679 WeakPolarHBondContact O-CA 3.33Å; M1676-T1679 PolarHBondContact O-N 2.91Å; M1676-T1679 PolarHBondContact O-OG1 3Å; A1677-T1679 PolarHBondContact O-N 2.9Å; T1679-G1681 VanDerWaalsContact C-N 3.27Å; T1679-G1681 PolarHBondContact O-N 3.36Å; T1679-D1682 PolarHBondContact O-N 3.17Å; T1679-D1682 VanDerWaalsContact O-N 3.13Å; T1679-F1683 PolarHBondContact O-N 3.15Å |
| 1680 | F | 97.6 | Very high | 96.7 | Very high | 29 Ų | 29 | 19.6 Ų | 19.6 | 13% | 0.127 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.8 | -39.7 | -179.9 | -70 | -9.4 | 0 | 0 | 0 | 112.5 | P1675 M1676 A1677 F1683 W1684 D1710 Q1711 Y1712 Y1721 | P1675-F1680 HydrophobicContact CB-CD1 3.84Å; P1675-F1680 HydrophobicContact CB-CE1 4.15Å; M1676-F1680 VanDerWaalsContact C-CE1 3.47Å; M1676-F1680 WeakPolarHBondContact O-CD1 3.28Å; M1676-F1680 WeakPolarHBondContact O-CE1 3.39Å; M1676-F1680 PolarHBondContact O-N 2.74Å; M1676-F1680 VanDerWaalsContact O-N 3.13Å; A1677-F1680 HydrophobicContact CB-CE2 4.3Å; A1677-F1680 HydrophobicContact CB-CZ 4.36Å; A1677-F1680 PolarHBondContact O-N 3.41Å; F1680-F1683 PolarHBondContact O-N 2.82Å; F1680-W1684 PolarHBondContact O-N 2.98Å; F1680-W1684 VanDerWaalsContact O-N 3.09Å; F1680-D1710 HydrophobicContact CE1-CB 3.91Å; F1680-D1710 HydrophobicContact CZ-CB 3.77Å; F1680-Q1711 WeakPolarHBondContact CE2-O 3.32Å; F1680-Q1711 WeakPolarHBondContact CZ-O 3.41Å; F1680-Y1712 VanDerWaalsContact CD1-CB 3.45Å; F1680-Y1721 HydrophobicContact CB-CD1 3.68Å; F1680-Y1721 HydrophobicContact CB-CE1 4.35Å; F1680-Y1721 HydrophobicContact CB-CG 4.28Å; F1680-Y1721 AromaticContact CD2-CD1 3.83Å; F1680-Y1721 HydrophobicContact CD2-CD1 3.83Å; F1680-Y1721 AromaticContact CD2-CE1 3.7Å; F1680-Y1721 HydrophobicContact CD2-CE1 3.7Å; F1680-Y1721 HydrophobicContact CE2-CE1 4.4Å; F1680-Y1721 HydrophobicContact CG-CD1 4.19Å; F1680-Y1721 HydrophobicContact CG-CE1 4.39Å |
| 1681 | G | 95.5 | Very high | 96.5 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1679 R1685 | T1679-G1681 VanDerWaalsContact C-N 3.27Å; T1679-G1681 PolarHBondContact O-N 3.36Å; G1681-R1685 WeakPolarHBondContact O-CB 3.42Å; G1681-R1685 PolarHBondContact O-N 2.98Å; G1681-R1685 VanDerWaalsContact O-N 3.11Å |
| 1682 | D | 97.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 26.3 Ų | 26.3 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.1 | -37.6 | 176.2 | -73.3 | -22 | 0 | 0 | 0 | 111.7 | K1627 L1643 I1655 T1679 R1685 M1686 | K1627-D1682 WeakPolarHBondContact CE-OD2 3.29Å; K1627-D1682 IonicContact NZ-OD2 2.67Å; K1627-D1682 PolarHBondContact NZ-OD2 3.44Å; L1643-D1682 HydrophobicContact CD1-CB 3.83Å; I1655-D1682 HydrophobicContact CD1-CB 4.31Å; T1679-D1682 PolarHBondContact O-N 3.17Å; T1679-D1682 VanDerWaalsContact O-N 3.13Å; D1682-R1685 PolarHBondContact O-N 2.64Å; D1682-R1685 IonicContact OD1-CZ 3.31Å; D1682-R1685 IonicContact OD1-NE 2.69Å; D1682-R1685 IonicContact OD1-NH2 3.6Å; D1682-R1685 PolarHBondContact OD1-NH2 3.34Å; D1682-M1686 WeakPolarHBondContact O-CB 3.24Å; D1682-M1686 PolarHBondContact O-N 2.93Å |
| 1683 | F | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -49.4 | 177.1 | 175.8 | -91.5 | 0 | 0 | 0 | 112.7 | I1655 T1672 P1675 T1679 F1680 R1685 M1686 V1687 I1695 Y1712 V1794 | I1655-F1683 HydrophobicContact CD1-CB 4.16Å; T1672-F1683 HydrophobicContact CG2-CD2 4.49Å; T1672-F1683 HydrophobicContact CG2-CE2 4.05Å; P1675-F1683 HydrophobicContact CB-CB 4.14Å; P1675-F1683 HydrophobicContact CB-CD2 4.48Å; P1675-F1683 HydrophobicContact CB-CG 4.22Å; P1675-F1683 HydrophobicContact CG-CB 3.82Å; P1675-F1683 HydrophobicContact CG-CD1 3.96Å; P1675-F1683 HydrophobicContact CG-CD2 3.32Å; P1675-F1683 HydrophobicContact CG-CE1 4.39Å; P1675-F1683 HydrophobicContact CG-CE2 3.78Å; P1675-F1683 HydrophobicContact CG-CG 3.4Å; P1675-F1683 HydrophobicContact CG-CZ 4.3Å; T1679-F1683 PolarHBondContact O-N 3.15Å; F1680-F1683 PolarHBondContact O-N 2.82Å; F1683-R1685 PolarHBondContact O-N 2.97Å; F1683-M1686 HydrophobicContact CD2-CE 4.04Å; F1683-M1686 HydrophobicContact CE2-CE 4.14Å; F1683-M1686 VanDerWaalsContact O-CB 3.32Å; F1683-M1686 WeakPolarHBondContact O-CB 3.42Å; F1683-M1686 PolarHBondContact O-N 3.33Å; F1683-V1687 HydrophobicContact CD1-CG2 4.33Å; F1683-V1687 HydrophobicContact CE1-CG2 3.87Å; F1683-V1687 HydrophobicContact CZ-CG2 4.02Å; F1683-V1687 WeakPolarHBondContact O-CG2 3.26Å; F1683-V1687 PolarHBondContact O-N 2.76Å; F1683-I1695 HydrophobicContact CE1-CD1 4.03Å; F1683-I1695 HydrophobicContact CZ-CD1 4.09Å; F1683-I1695 HydrophobicContact CZ-CG2 4.06Å; F1683-Y1712 AromaticContact CD1-CD2 3.87Å; F1683-Y1712 HydrophobicContact CD1-CD2 3.87Å; F1683-Y1712 HydrophobicContact CD1-CE2 4.05Å; F1683-Y1712 HydrophobicContact CD1-CG 4.4Å; F1683-Y1712 AromaticContact CE1-CD2 3.59Å; F1683-Y1712 HydrophobicContact CE1-CD2 3.59Å; F1683-Y1712 AromaticContact CE1-CE2 3.28Å; F1683-Y1712 HydrophobicContact CE1-CE2 3.28Å; F1683-Y1712 HydrophobicContact CE1-CG 4.38Å; F1683-Y1712 AromaticContact CE1-CZ 3.86Å; F1683-Y1712 HydrophobicContact CZ-CD2 4.42Å; F1683-Y1712 AromaticContact CZ-CE2 3.8Å; F1683-Y1712 HydrophobicContact CZ-CE2 3.8Å; F1683-Y1712 AromaticContact CZ-CZ 3.9Å; F1683-V1794 HydrophobicContact CE2-CG1 3.68Å; F1683-V1794 HydrophobicContact CZ-CG1 4.02Å |
| 1684 | W | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.1 | -30.3 | 177.7 | -78.4 | 114.1 | 0 | 0 | 0 | 112.5 | F1680 V1687 W1688 I1695 Y1712 W1713 Y1721 I1724 V1726 I1742 I1744 | F1680-W1684 PolarHBondContact O-N 2.98Å; F1680-W1684 VanDerWaalsContact O-N 3.09Å; W1684-V1687 HydrophobicContact CE3-CB 4.23Å; W1684-V1687 HydrophobicContact CE3-CG1 4.22Å; W1684-V1687 HydrophobicContact CE3-CG2 4.42Å; W1684-V1687 HydrophobicContact CZ3-CG1 4.22Å; W1684-V1687 PolarHBondContact O-N 3.28Å; W1684-W1688 WeakPolarHBondContact O-CB 3.48Å; W1684-W1688 PolarHBondContact O-N 2.81Å; W1684-I1695 HydrophobicContact CH2-CD1 3.86Å; W1684-I1695 HydrophobicContact CZ3-CD1 3.79Å; W1684-Y1712 AromaticContact CE2-CD2 3.88Å; W1684-Y1712 HydrophobicContact CH2-CE2 4.45Å; W1684-Y1712 AromaticContact CZ2-CD2 3.67Å; W1684-Y1712 HydrophobicContact CZ2-CD2 3.67Å; W1684-Y1712 AromaticContact CZ2-CE2 3.94Å; W1684-Y1712 HydrophobicContact CZ2-CE2 3.94Å; W1684-Y1712 AromaticContact NE1-CD2 3.86Å; W1684-Y1712 PolarHBondContact NE1-O 2.82Å; W1684-W1713 HydrophobicContact CZ2-CB 4.43Å; W1684-Y1721 AromaticContact CD1-CD2 3.48Å; W1684-Y1721 VanDerWaalsContact CD1-CD2 3.48Å; W1684-Y1721 AromaticContact CD1-CG 3.69Å; W1684-Y1721 HydrophobicContact CG-CD2 4.39Å; W1684-Y1721 AromaticContact NE1-CD2 3.58Å; W1684-Y1721 AromaticContact NE1-CE2 3.85Å; W1684-I1724 HydrophobicContact CB-CB 3.99Å; W1684-I1724 HydrophobicContact CB-CG1 4.2Å; W1684-I1724 HydrophobicContact CB-CG2 4.17Å; W1684-V1726 HydrophobicContact CB-CG2 4.45Å; W1684-V1726 HydrophobicContact CD2-CG1 4.38Å; W1684-V1726 HydrophobicContact CD2-CG2 3.67Å; W1684-V1726 HydrophobicContact CE3-CG2 4.13Å; W1684-V1726 HydrophobicContact CG-CG2 3.81Å; W1684-V1726 HydrophobicContact CH2-CG1 4Å; W1684-V1726 HydrophobicContact CZ2-CG1 3.66Å; W1684-V1726 HydrophobicContact CZ2-CG2 4.45Å; W1684-V1726 HydrophobicContact CZ3-CG1 4.48Å; W1684-I1742 HydrophobicContact CH2-CD1 4.06Å; W1684-I1742 HydrophobicContact CH2-CG2 3.95Å; W1684-I1742 HydrophobicContact CZ3-CG2 4.5Å; W1684-I1744 HydrophobicContact CE3-CG2 3.89Å; W1684-I1744 HydrophobicContact CZ3-CG2 3.73Å |
| 1685 | R | 96.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 5% | 0.045 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69 | -38 | 172.6 | -174.6 | 163 | 64.8 | 94.7 | -4.6 | 112.3 | S1644 S1652 G1681 D1682 F1683 W1688 E1689 I1724 | S1644-R1685 PolarHBondContact O-NH1 3.15Å; S1652-R1685 PolarHBondContact O-NH2 2.94Å; G1681-R1685 WeakPolarHBondContact O-CB 3.42Å; G1681-R1685 PolarHBondContact O-N 2.98Å; G1681-R1685 VanDerWaalsContact O-N 3.11Å; D1682-R1685 PolarHBondContact O-N 2.64Å; D1682-R1685 IonicContact OD1-CZ 3.31Å; D1682-R1685 IonicContact OD1-NE 2.69Å; D1682-R1685 IonicContact OD1-NH2 3.6Å; D1682-R1685 PolarHBondContact OD1-NH2 3.34Å; F1683-R1685 PolarHBondContact O-N 2.97Å; R1685-W1688 PolarHBondContact O-N 2.9Å; R1685-E1689 WeakPolarHBondContact CD-OE1 3.45Å; R1685-E1689 HydrophobicContact CG-CG 4.29Å; R1685-E1689 WeakPolarHBondContact CG-OE1 3.31Å; R1685-E1689 IonicContact NH1-OE1 3.75Å; R1685-E1689 WeakPolarHBondContact O-CB 3.36Å; R1685-E1689 WeakPolarHBondContact O-CG 3.3Å; R1685-E1689 PolarHBondContact O-N 2.85Å; R1685-I1724 HydrophobicContact CB-CG1 4.42Å |
| 1686 | M | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -52.4 | 168.6 | -170.2 | -173.9 | 71.5 | 0 | 0 | 111.2 | V1641 L1643 I1655 A1657 I1670 T1672 D1682 F1683 W1688 E1689 E1690 V1794 | V1641-M1686 HydrophobicContact CB-SD 4.26Å; V1641-M1686 HydrophobicContact CG1-CG 3.8Å; V1641-M1686 HydrophobicContact CG1-SD 4.12Å; V1641-M1686 HydrophobicContact CG2-SD 4.28Å; L1643-M1686 HydrophobicContact CD2-CB 3.7Å; L1643-M1686 HydrophobicContact CD2-CG 3.94Å; I1655-M1686 HydrophobicContact CD1-CB 4.33Å; I1655-M1686 HydrophobicContact CD1-SD 3.97Å; I1655-M1686 HydrophobicContact CG2-SD 3.95Å; A1657-M1686 HydrophobicContact CB-SD 3.79Å; I1670-M1686 HydrophobicContact CD1-CG 4.49Å; I1670-M1686 HydrophobicContact CD1-SD 4.41Å; I1670-M1686 HydrophobicContact CG2-CE 3.86Å; I1670-M1686 HydrophobicContact CG2-SD 3.88Å; T1672-M1686 HydrophobicContact CG2-CE 4.26Å; D1682-M1686 WeakPolarHBondContact O-CB 3.24Å; D1682-M1686 PolarHBondContact O-N 2.93Å; F1683-M1686 HydrophobicContact CD2-CE 4.04Å; F1683-M1686 HydrophobicContact CE2-CE 4.14Å; F1683-M1686 VanDerWaalsContact O-CB 3.32Å; F1683-M1686 WeakPolarHBondContact O-CB 3.42Å; F1683-M1686 PolarHBondContact O-N 3.33Å; M1686-W1688 PolarHBondContact O-N 3.31Å; M1686-E1689 PolarHBondContact O-N 3.13Å; M1686-E1690 HydrophobicContact CG-CG 4.09Å; M1686-E1690 VanDerWaalsContact O-CB 3.27Å; M1686-E1690 WeakPolarHBondContact O-CB 3.14Å; M1686-E1690 VanDerWaalsContact O-CG 3.28Å; M1686-E1690 WeakPolarHBondContact O-CG 3.48Å; M1686-E1690 PolarHBondContact O-N 2.03Å; M1686-V1794 HydrophobicContact CE-CG1 3.73Å; M1686-V1794 HydrophobicContact CE-CG2 4.04Å |
| 1687 | V | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.6 | -36.8 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F1683 W1684 K1691 S1692 I1695 I1744 V1755 V1794 | F1683-V1687 HydrophobicContact CD1-CG2 4.33Å; F1683-V1687 HydrophobicContact CE1-CG2 3.87Å; F1683-V1687 HydrophobicContact CZ-CG2 4.02Å; F1683-V1687 WeakPolarHBondContact O-CG2 3.26Å; F1683-V1687 PolarHBondContact O-N 2.76Å; W1684-V1687 HydrophobicContact CE3-CB 4.23Å; W1684-V1687 HydrophobicContact CE3-CG1 4.22Å; W1684-V1687 HydrophobicContact CE3-CG2 4.42Å; W1684-V1687 HydrophobicContact CZ3-CG1 4.22Å; W1684-V1687 PolarHBondContact O-N 3.28Å; V1687-K1691 PolarHBondContact O-N 2.97Å; V1687-S1692 PolarHBondContact O-N 3.5Å; V1687-S1692 VanDerWaalsContact O-N 3.16Å; V1687-I1695 HydrophobicContact CG1-CD1 4.29Å; V1687-I1695 HydrophobicContact CG2-CD1 3.94Å; V1687-I1695 HydrophobicContact CG2-CG1 4.3Å; V1687-I1744 HydrophobicContact CG1-CD1 3.92Å; V1687-V1755 HydrophobicContact CG1-CG1 4.29Å; V1687-V1755 HydrophobicContact CG1-CG2 4.08Å; V1687-V1794 HydrophobicContact CG2-CG2 4.34Å |
| 1688 | W | 96.6 | Very high | 96.8 | Very high | 14 Ų | 14 | 22.8 Ų | 22.8 | 5% | 0.053 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -73.1 | -47.2 | 175.9 | -177.7 | -84 | 0 | 0 | 0 | 113.6 | W1684 R1685 M1686 K1691 I1724 I1744 R1746 H1749 E1751 R1753 | W1684-W1688 WeakPolarHBondContact O-CB 3.48Å; W1684-W1688 PolarHBondContact O-N 2.81Å; R1685-W1688 PolarHBondContact O-N 2.9Å; M1686-W1688 PolarHBondContact O-N 3.31Å; W1688-K1691 PolarHBondContact O-N 3.16Å; W1688-I1724 HydrophobicContact CB-CD1 3.69Å; W1688-I1724 HydrophobicContact CB-CG1 4.31Å; W1688-I1724 HydrophobicContact CD2-CD1 4.06Å; W1688-I1724 HydrophobicContact CE3-CD1 4.43Å; W1688-I1724 HydrophobicContact CG-CD1 3.69Å; W1688-I1744 HydrophobicContact CE3-CD1 3.86Å; W1688-I1744 HydrophobicContact CE3-CG1 3.92Å; W1688-I1744 HydrophobicContact CZ3-CG1 4.17Å; W1688-R1746 HydrophobicContact CD2-CB 4.03Å; W1688-R1746 HydrophobicContact CE3-CB 4.46Å; W1688-R1746 HydrophobicContact CH2-CB 4.26Å; W1688-R1746 HydrophobicContact CZ2-CB 3.78Å; W1688-H1749 AromaticContact CZ2-ND1 3.72Å; W1688-E1751 HydrophobicContact CH2-CB 3.95Å; W1688-E1751 HydrophobicContact CH2-CG 4.09Å; W1688-E1751 WeakPolarHBondContact CH2-O 3.33Å; W1688-E1751 HydrophobicContact CZ2-CB 4.35Å; W1688-E1751 WeakPolarHBondContact CZ2-OE2 3.5Å; W1688-R1753 HydrophobicContact CH2-CG 4.45Å; W1688-R1753 HydrophobicContact CZ3-CG 4.18Å; W1688-R1753 PolarHBondContact O-NH1 2.98Å |
| 1689 | E | 96.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 15.9 Ų | 15.9 | 20% | 0.201 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.5 | -39.3 | -176 | -69.9 | 177.9 | -155.2 | 0 | 0 | 110.8 | S1644 R1685 M1686 K1691 | S1644-E1689 WeakPolarHBondContact CB-OE2 3.34Å; S1644-E1689 PolarHBondContact N-OE2 2.84Å; S1644-E1689 PolarHBondContact OG-OE2 2.85Å; R1685-E1689 WeakPolarHBondContact CD-OE1 3.45Å; R1685-E1689 HydrophobicContact CG-CG 4.29Å; R1685-E1689 WeakPolarHBondContact CG-OE1 3.31Å; R1685-E1689 IonicContact NH1-OE1 3.75Å; R1685-E1689 WeakPolarHBondContact O-CB 3.36Å; R1685-E1689 WeakPolarHBondContact O-CG 3.3Å; R1685-E1689 PolarHBondContact O-N 2.85Å; M1686-E1689 PolarHBondContact O-N 3.13Å; E1689-K1691 VanDerWaalsContact C-N 3.32Å; E1689-K1691 PolarHBondContact O-N 2.73Å |
| 1690 | E | 96.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 18.9 Ų | 18.9 | 17% | 0.173 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -5 | 179.2 | -59.5 | -61.2 | 126 | 0 | 0 | 114.6 | V1641 Y1659 I1670 M1686 S1692 G1791 P1792 | V1641-E1690 HydrophobicContact CG1-CG 4.1Å; Y1659-E1690 WeakPolarHBondContact CE1-OE2 3.35Å; Y1659-E1690 VanDerWaalsContact CZ-OE2 3.31Å; Y1659-E1690 PolarHBondContact OH-OE1 2.83Å; Y1659-E1690 VanDerWaalsContact OH-OE1 3.06Å; Y1659-E1690 PolarHBondContact OH-OE2 2.9Å; I1670-E1690 HydrophobicContact CD1-CB 4.11Å; I1670-E1690 HydrophobicContact CD1-CG 3.71Å; M1686-E1690 HydrophobicContact CG-CG 4.09Å; M1686-E1690 VanDerWaalsContact O-CB 3.27Å; M1686-E1690 WeakPolarHBondContact O-CB 3.14Å; M1686-E1690 VanDerWaalsContact O-CG 3.28Å; M1686-E1690 WeakPolarHBondContact O-CG 3.48Å; M1686-E1690 PolarHBondContact O-N 2.03Å; E1690-S1692 VanDerWaalsContact C-N 3.26Å; E1690-S1692 PolarHBondContact O-N 2.87Å; E1690-G1791 WeakPolarHBondContact O-CA 3.32Å; E1690-P1792 HydrophobicContact CB-CG 4.2Å |
| 1691 | K | 95.2 | Very high | 96.5 | Very high | 138 Ų | 138 | 19.8 Ų | 19.8 | 60% | 0.6 | 10% | 0.098 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34.9 | -176.1 | -52.2 | 178 | -179 | 176.5 | 0 | 114 | V1687 W1688 E1689 A1693 G1791 | V1687-K1691 PolarHBondContact O-N 2.97Å; W1688-K1691 PolarHBondContact O-N 3.16Å; E1689-K1691 VanDerWaalsContact C-N 3.32Å; E1689-K1691 PolarHBondContact O-N 2.73Å; K1691-A1693 PolarHBondContact O-N 2.57Å; K1691-G1791 PolarHBondContact O-N 2.89Å; K1691-G1791 VanDerWaalsContact O-N 3.09Å |
| 1692 | S | 96.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | trans | -73.1 | 106.9 | -179.4 | -63.6 | 0 | 0 | 0 | 0 | 112 | V1687 E1690 T1694 P1792 V1794 | V1687-S1692 PolarHBondContact O-N 3.5Å; V1687-S1692 VanDerWaalsContact O-N 3.16Å; E1690-S1692 VanDerWaalsContact C-N 3.26Å; E1690-S1692 PolarHBondContact O-N 2.87Å; S1692-T1694 VanDerWaalsContact C-N 3.31Å; S1692-P1792 VanDerWaalsContact CB-O 3.23Å; S1692-P1792 WeakPolarHBondContact CB-O 3.47Å; S1692-P1792 PolarHBondContact OG-O 2.95Å; S1692-V1794 WeakPolarHBondContact OG-CG2 3.02Å | ||
| 1693 | A | 95.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 12% | 0.124 | 11% | 0.109 | C | C | . | . | trans | -79.3 | -10.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1691 V1755 R1756 S1790 | K1691-A1693 PolarHBondContact O-N 2.57Å; A1693-V1755 CarbonylContact O-C 3.55Å; A1693-V1755 WeakPolarHBondContact O-CA 3.36Å; A1693-R1756 PolarHBondContact O-N 2.61Å; A1693-S1790 VanDerWaalsContact CB-OG 3.32Å; A1693-S1790 WeakPolarHBondContact CB-OG 3.49Å | ||
| 1694 | T | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.8 | -173.8 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | S1692 V1696 R1756 L1758 N1786 I1793 V1794 | S1692-T1694 VanDerWaalsContact C-N 3.31Å; T1694-V1696 HydrophobicContact CG2-CG2 4.15Å; T1694-R1756 WeakPolarHBondContact CA-O 3.15Å; T1694-L1758 HydrophobicContact CG2-CD1 3.52Å; T1694-N1786 VanDerWaalsContact CB-OD1 3.28Å; T1694-N1786 WeakPolarHBondContact CB-OD1 3.39Å; T1694-N1786 HydrophobicContact CG2-CB 4.41Å; T1694-N1786 WeakPolarHBondContact OG1-CB 3.32Å; T1694-N1786 PolarHBondContact OG1-OD1 2.8Å; T1694-I1793 HydrophobicContact CG2-CG2 4.19Å; T1694-V1794 PolarHBondContact O-N 2.88Å |
| 1695 | I | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.6 | 174.8 | -57.4 | 168.9 | 0 | 0 | 0 | 108.4 | F1683 W1684 V1687 Y1712 V1755 R1756 H1757 L1758 V1794 | F1683-I1695 HydrophobicContact CE1-CD1 4.03Å; F1683-I1695 HydrophobicContact CZ-CD1 4.09Å; F1683-I1695 HydrophobicContact CZ-CG2 4.06Å; W1684-I1695 HydrophobicContact CH2-CD1 3.86Å; W1684-I1695 HydrophobicContact CZ3-CD1 3.79Å; V1687-I1695 HydrophobicContact CG1-CD1 4.29Å; V1687-I1695 HydrophobicContact CG2-CD1 3.94Å; V1687-I1695 HydrophobicContact CG2-CG1 4.3Å; I1695-Y1712 VanDerWaalsContact CG2-OH 3.28Å; I1695-Y1712 WeakPolarHBondContact CG2-OH 3.45Å; I1695-V1755 HydrophobicContact CD1-CG1 3.6Å; I1695-V1755 HydrophobicContact CG1-CG1 3.75Å; I1695-R1756 PolarHBondContact N-O 2.69Å; I1695-H1757 HydrophobicContact CB-CB 4.47Å; I1695-H1757 CarbonylContact O-C 3.57Å; I1695-H1757 WeakPolarHBondContact O-CA 3.33Å; I1695-L1758 PolarHBondContact O-N 2.78Å; I1695-V1794 CarbonylContact C-O 3.53Å; I1695-V1794 WeakPolarHBondContact CA-O 3.08Å; I1695-V1794 HydrophobicContact CG1-CB 4.34Å |
| 1696 | V | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 107.7 | -173.8 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | T1694 L1698 L1758 F1778 V1782 I1793 V1794 V1795 H1796 L1807 | T1694-V1696 HydrophobicContact CG2-CG2 4.15Å; V1696-L1698 HydrophobicContact CG1-CD2 4.24Å; V1696-L1698 HydrophobicContact CG1-CG 4.26Å; V1696-L1758 CarbonylContact C-O 3.54Å; V1696-L1758 WeakPolarHBondContact CA-O 3.4Å; V1696-F1778 HydrophobicContact CG1-CE1 3.7Å; V1696-F1778 HydrophobicContact CG1-CZ 3.86Å; V1696-V1782 HydrophobicContact CG1-CG2 4.28Å; V1696-V1782 HydrophobicContact CG2-CG1 3.72Å; V1696-V1782 HydrophobicContact CG2-CG2 4.02Å; V1696-I1793 HydrophobicContact CB-CG2 4.48Å; V1696-I1793 HydrophobicContact CG2-CG2 3.5Å; V1696-V1794 PolarHBondContact N-O 3.48Å; V1696-V1795 HydrophobicContact CB-CB 4.5Å; V1696-V1795 HydrophobicContact CB-CG1 4.31Å; V1696-V1795 HydrophobicContact CB-CG2 4.24Å; V1696-V1795 HydrophobicContact CG1-CG1 4.32Å; V1696-H1796 PolarHBondContact O-N 2.89Å; V1696-L1807 HydrophobicContact CG1-CD1 3.81Å |
| 1697 | M | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 103.5 | -175.8 | 177.2 | 175.2 | -168.8 | 0 | 0 | 110.9 | T1699 L1701 C1709 W1713 L1758 Q1759 F1760 H1796 | M1697-T1699 VanDerWaalsContact C-N 3.26Å; M1697-T1699 HydrophobicContact CE-CG2 3.78Å; M1697-T1699 HydrophobicContact CG-CG2 4.02Å; M1697-T1699 PolarHBondContact O-N 2.88Å; M1697-L1701 HydrophobicContact CE-CD2 3.87Å; M1697-L1701 HydrophobicContact CE-CG 4.26Å; M1697-C1709 HydrophobicContact CE-CB 3.83Å; M1697-W1713 HydrophobicContact CE-CH2 3.99Å; M1697-W1713 HydrophobicContact CE-CZ3 4.16Å; M1697-W1713 HydrophobicContact SD-CH2 3.62Å; M1697-W1713 HydrophobicContact SD-CZ3 3.64Å; M1697-L1758 PolarHBondContact N-O 2.81Å; M1697-Q1759 HydrophobicContact CB-CB 4.16Å; M1697-Q1759 HydrophobicContact CB-CG 4.16Å; M1697-Q1759 HydrophobicContact CG-CB 4.41Å; M1697-Q1759 HydrophobicContact CG-CG 3.88Å; M1697-Q1759 CarbonylContact O-C 3.55Å; M1697-Q1759 WeakPolarHBondContact O-CA 3.25Å; M1697-Q1759 HydrophobicContact SD-CB 4.36Å; M1697-Q1759 VanDerWaalsContact SD-CD 3.53Å; M1697-Q1759 HydrophobicContact SD-CG 3.81Å; M1697-Q1759 PolarHBondContact SD-NE2 2.88Å; M1697-Q1759 VanDerWaalsContact SD-NE2 3.44Å; M1697-F1760 PolarHBondContact O-N 2.89Å; M1697-H1796 WeakPolarHBondContact CB-NE2 3.32Å; M1697-H1796 VanDerWaalsContact CG-CE1 3.43Å; M1697-H1796 WeakPolarHBondContact CG-CE1 3.31Å; M1697-H1796 WeakPolarHBondContact CG-NE2 3.49Å |
| 1698 | L | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -91.9 | 42.7 | -176.6 | -63.3 | 172.5 | 0 | 0 | 0 | 112.8 | V1696 F1760 F1775 F1778 V1795 H1796 C1797 R1803 L1807 | V1696-L1698 HydrophobicContact CG1-CD2 4.24Å; V1696-L1698 HydrophobicContact CG1-CG 4.26Å; L1698-F1760 HydrophobicContact CD2-CB 3.8Å; L1698-F1760 HydrophobicContact CD2-CG 4.43Å; L1698-F1775 HydrophobicContact CD2-CE2 4.12Å; L1698-F1778 HydrophobicContact CD2-CD1 4.39Å; L1698-F1778 HydrophobicContact CD2-CE1 3.71Å; L1698-F1778 HydrophobicContact CD2-CZ 4.45Å; L1698-V1795 HydrophobicContact CD1-CG1 3.86Å; L1698-H1796 PolarHBondContact N-O 2.83Å; L1698-C1797 HydrophobicContact CB-CB 4.19Å; L1698-R1803 HydrophobicContact CB-CB 3.98Å; L1698-R1803 HydrophobicContact CD1-CB 4.38Å; L1698-R1803 WeakPolarHBondContact CD1-O 3.47Å; L1698-R1803 WeakPolarHBondContact O-CD 3.45Å; L1698-R1803 PolarHBondContact O-NH1 2.74Å; L1698-L1807 HydrophobicContact CD1-CB 3.54Å; L1698-L1807 HydrophobicContact CD1-CD1 3.99Å; L1698-L1807 HydrophobicContact CD1-CG 4.35Å; L1698-L1807 HydrophobicContact CD2-CD1 3.84Å; L1698-L1807 HydrophobicContact CG-CD1 4.38Å | ||
| 1699 | T | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -160.2 | 152 | -178.3 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | M1697 E1703 K1708 C1709 Q1759 R1803 | M1697-T1699 VanDerWaalsContact C-N 3.26Å; M1697-T1699 HydrophobicContact CE-CG2 3.78Å; M1697-T1699 HydrophobicContact CG-CG2 4.02Å; M1697-T1699 PolarHBondContact O-N 2.88Å; T1699-E1703 PolarHBondContact OG1-OE1 2.69Å; T1699-K1708 HydrophobicContact CG2-CB 4.48Å; T1699-K1708 WeakPolarHBondContact OG1-CB 3.35Å; T1699-C1709 HydrophobicContact CG2-CB 3.96Å; T1699-Q1759 PolarHBondContact O-NE2 2.82Å; T1699-R1803 PolarHBondContact OG1-NH1 3.19Å |
| 1700 | K | 92.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | trans | -69.1 | 161.7 | 156 | -55.9 | 172.2 | -154.2 | 153.2 | 0 | 108.2 | E1702 E1703 T1761 D1765 | K1700-E1702 VanDerWaalsContact CB-O 3.24Å; K1700-E1702 WeakPolarHBondContact CB-O 3.45Å; K1700-E1702 PolarHBondContact O-N 3.23Å; K1700-E1703 HydrophobicContact CB-CG 3.84Å; K1700-E1703 HydrophobicContact CD-CG 4.11Å; K1700-E1703 HydrophobicContact CG-CG 4.25Å; K1700-E1703 PolarHBondContact N-OE1 2.83Å; K1700-T1761 VanDerWaalsContact CE-O 3.27Å; K1700-T1761 WeakPolarHBondContact CE-O 3.43Å; K1700-D1765 IonicContact NZ-OD1 3.75Å; K1700-D1765 PolarHBondContact NZ-OD1 2.78Å | ||
| 1701 | L | 93 | Very high | 91.6 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -58.3 | -39.9 | 168.9 | -70.5 | 166 | 0 | 0 | 0 | 110.3 | M1697 I1707 K1708 C1709 Q1711 W1713 | M1697-L1701 HydrophobicContact CE-CD2 3.87Å; M1697-L1701 HydrophobicContact CE-CG 4.26Å; L1701-I1707 WeakPolarHBondContact O-CA 3.14Å; L1701-K1708 PolarHBondContact O-N 2.8Å; L1701-C1709 WeakPolarHBondContact CA-O 3.28Å; L1701-C1709 VanDerWaalsContact CD2-O 3.25Å; L1701-C1709 WeakPolarHBondContact CD2-O 3.31Å; L1701-C1709 PolarHBondContact O-N 3.14Å; L1701-Q1711 HydrophobicContact CD1-CB 4.04Å; L1701-Q1711 HydrophobicContact CD1-CG 4Å; L1701-Q1711 HydrophobicContact CD2-CB 3.8Å; L1701-Q1711 HydrophobicContact CD2-CG 4.16Å; L1701-W1713 HydrophobicContact CD1-CH2 4.28Å; L1701-W1713 HydrophobicContact CD1-CZ2 4.23Å; L1701-W1713 HydrophobicContact CD2-CH2 3.75Å; L1701-W1713 HydrophobicContact CD2-CZ2 4.45Å; L1701-W1713 HydrophobicContact CD2-CZ3 4.26Å; L1701-W1713 HydrophobicContact CG-CH2 4.12Å |
| 1702 | E | 86.7 | Confident | 91.7 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.3 | -176.8 | -178 | 176.8 | -145.7 | 0 | 0 | 110.9 | K1700 T1705 R1706 | K1700-E1702 VanDerWaalsContact CB-O 3.24Å; K1700-E1702 WeakPolarHBondContact CB-O 3.45Å; K1700-E1702 PolarHBondContact O-N 3.23Å; E1702-T1705 VanDerWaalsContact OE1-CA 3.28Å; E1702-T1705 WeakPolarHBondContact OE1-CA 3.36Å; E1702-R1706 WeakPolarHBondContact CA-O 3.45Å |
| 1703 | E | 83.4 | Confident | 91.7 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 119.1 | 178.7 | -63.5 | 177.4 | 178.4 | 0 | 0 | 108.4 | T1699 K1700 R1706 K1708 D1765 R1803 | T1699-E1703 PolarHBondContact OG1-OE1 2.69Å; K1700-E1703 HydrophobicContact CB-CG 3.84Å; K1700-E1703 HydrophobicContact CD-CG 4.11Å; K1700-E1703 HydrophobicContact CG-CG 4.25Å; K1700-E1703 PolarHBondContact N-OE1 2.83Å; E1703-R1706 PolarHBondContact N-O 2.03Å; E1703-R1706 WeakPolarHBondContact O-CB 3.06Å; E1703-R1706 PolarHBondContact O-N 2.85Å; E1703-K1708 HydrophobicContact CB-CG 3.96Å; E1703-K1708 HydrophobicContact CG-CG 3.88Å; E1703-K1708 IonicContact OE2-NZ 2.67Å; E1703-K1708 PolarHBondContact OE2-NZ 2.75Å; E1703-D1765 HydrophobicContact CB-CB 4.04Å; E1703-R1803 IonicContact OE1-CZ 3.36Å; E1703-R1803 IonicContact OE1-NH1 2.66Å; E1703-R1803 PolarHBondContact OE1-NH1 3.44Å; E1703-R1803 IonicContact OE1-NH2 2.7Å; E1703-R1803 PolarHBondContact OE1-NH2 2.92Å; E1703-R1803 IonicContact OE2-CZ 2.78Å; E1703-R1803 IonicContact OE2-NH1 3.86Å; E1703-R1803 PolarHBondContact OE2-NH1 2.85Å; E1703-R1803 IonicContact OE2-NH2 2.71Å; E1703-R1803 PolarHBondContact OE2-NH2 2.89Å |
| 1704 | R | 74.3 | Confident | 91.6 | Very high | 142 Ų | 142 | 41.5 Ų | 41.5 | 54% | 0.536 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 62.2 | -170.6 | -66.6 | 179.6 | -178.8 | -168.2 | -6.1 | 113.2 | R1706 D1765 H1766 | R1704-R1706 PolarHBondContact O-N 3.15Å; R1704-D1765 HydrophobicContact CG-CB 3.77Å; R1704-D1765 IonicContact NE-OD2 3.44Å; R1704-H1766 PolarHBondContact NH1-CD2 2.77Å; R1704-H1766 PolarHBondContact NH1-NE2 2.86Å |
| 1705 | T | 76.1 | Confident | 91.1 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 57% | 0.571 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 16.2 | -179.1 | 66.2 | 0 | 0 | 0 | 0 | 115.6 | E1702 | E1702-T1705 VanDerWaalsContact OE1-CA 3.28Å; E1702-T1705 WeakPolarHBondContact OE1-CA 3.36Å |
| 1706 | R | 82.2 | Confident | 90.2 | Very high | 148 Ų | 148 | 56.7 Ų | 56.7 | 56% | 0.558 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.8 | 176.8 | -176.2 | 175.7 | -179 | -179.6 | 3.8 | 109.7 | E1702 E1703 R1704 K1708 | E1702-R1706 WeakPolarHBondContact CA-O 3.45Å; E1703-R1706 PolarHBondContact N-O 2.03Å; E1703-R1706 WeakPolarHBondContact O-CB 3.06Å; E1703-R1706 PolarHBondContact O-N 2.85Å; R1704-R1706 PolarHBondContact O-N 3.15Å; R1706-K1708 PolarHBondContact O-N 3.39Å |
| 1707 | I | 88.4 | Confident | 89.6 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 124.6 | 169.4 | -58.7 | 174.3 | 0 | 0 | 0 | 108.7 | L1701 | L1701-I1707 WeakPolarHBondContact O-CA 3.14Å |
| 1708 | K | 91.8 | Very high | 89.4 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -102.7 | -36.8 | 175.2 | -60.5 | -56.4 | 179.5 | 75.7 | 0 | 110.7 | T1699 L1701 E1703 R1706 S1798 | T1699-K1708 HydrophobicContact CG2-CB 4.48Å; T1699-K1708 WeakPolarHBondContact OG1-CB 3.35Å; L1701-K1708 PolarHBondContact O-N 2.8Å; E1703-K1708 HydrophobicContact CB-CG 3.96Å; E1703-K1708 HydrophobicContact CG-CG 3.88Å; E1703-K1708 IonicContact OE2-NZ 2.67Å; E1703-K1708 PolarHBondContact OE2-NZ 2.75Å; R1706-K1708 PolarHBondContact O-N 3.39Å; K1708-S1798 VanDerWaalsContact O-CA 3.26Å; K1708-S1798 WeakPolarHBondContact O-CA 3.37Å; K1708-S1798 WeakPolarHBondContact O-CB 3.42Å; K1708-S1798 PolarHBondContact O-OG 3.31Å |
| 1709 | C | 94.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -146.6 | 141.8 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | G1674 M1697 T1699 L1701 H1796 | G1674-C1709 WeakPolarHBondContact CA-SG 3.19Å; M1697-C1709 HydrophobicContact CE-CB 3.83Å; T1699-C1709 HydrophobicContact CG2-CB 3.96Å; L1701-C1709 WeakPolarHBondContact CA-O 3.28Å; L1701-C1709 VanDerWaalsContact CD2-O 3.25Å; L1701-C1709 WeakPolarHBondContact CD2-O 3.31Å; L1701-C1709 PolarHBondContact O-N 3.14Å; C1709-H1796 VanDerWaalsContact SG-CE1 3.56Å |
| 1710 | D | 94.7 | Very high | 89.2 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | trans | -82.9 | 155.5 | 175.1 | -57.8 | -83.2 | 0 | 0 | 0 | 109.9 | R1629 P1675 F1680 Y1712 | R1629-D1710 IonicContact CZ-OD2 2.85Å; R1629-D1710 IonicContact NH1-OD2 3.52Å; R1629-D1710 PolarHBondContact NH1-OD2 2.84Å; R1629-D1710 IonicContact NH2-OD2 2.7Å; R1629-D1710 PolarHBondContact NH2-OD2 3.45Å; P1675-D1710 PolarHBondContact O-N 3.17Å; F1680-D1710 HydrophobicContact CE1-CB 3.91Å; F1680-D1710 HydrophobicContact CZ-CB 3.77Å; D1710-Y1712 PolarHBondContact O-N 2.76Å; D1710-Y1712 VanDerWaalsContact O-N 3.1Å | ||
| 1711 | Q | 96.7 | Very high | 89.3 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | trans | -82 | 94.4 | -173.8 | -161.5 | -169.3 | -75.8 | 0 | 0 | 111.4 | F1680 L1701 W1713 S1715 | F1680-Q1711 WeakPolarHBondContact CE2-O 3.32Å; F1680-Q1711 WeakPolarHBondContact CZ-O 3.41Å; L1701-Q1711 HydrophobicContact CD1-CB 4.04Å; L1701-Q1711 HydrophobicContact CD1-CG 4Å; L1701-Q1711 HydrophobicContact CD2-CB 3.8Å; L1701-Q1711 HydrophobicContact CD2-CG 4.16Å; Q1711-W1713 VanDerWaalsContact C-N 3.29Å; Q1711-W1713 HydrophobicContact CG-CD2 3.72Å; Q1711-W1713 VanDerWaalsContact CG-CE2 3.45Å; Q1711-W1713 HydrophobicContact CG-CE3 4.08Å; Q1711-W1713 HydrophobicContact CG-CG 4.26Å; Q1711-W1713 HydrophobicContact CG-CH2 4.01Å; Q1711-W1713 HydrophobicContact CG-CZ2 3.61Å; Q1711-W1713 HydrophobicContact CG-CZ3 4.22Å; Q1711-W1713 PolarHBondContact NE2-O 2.6Å; Q1711-W1713 PolarHBondContact O-N 3.08Å; Q1711-S1715 PolarHBondContact NE2-OG 2.96Å | ||
| 1712 | Y | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -81.7 | 2.5 | -178 | 59.9 | -94.7 | 0 | 0 | 0 | 114.7 | P1675 F1680 F1683 W1684 I1695 D1710 Y1721 H1757 H1796 | P1675-Y1712 HydrophobicContact CB-CD1 4.04Å; P1675-Y1712 HydrophobicContact CB-CG 4.28Å; P1675-Y1712 HydrophobicContact CG-CD1 3.72Å; P1675-Y1712 HydrophobicContact CG-CE1 4.04Å; P1675-Y1712 HydrophobicContact CG-CG 4.1Å; F1680-Y1712 VanDerWaalsContact CD1-CB 3.45Å; F1683-Y1712 AromaticContact CD1-CD2 3.87Å; F1683-Y1712 HydrophobicContact CD1-CD2 3.87Å; F1683-Y1712 HydrophobicContact CD1-CE2 4.05Å; F1683-Y1712 HydrophobicContact CD1-CG 4.4Å; F1683-Y1712 AromaticContact CE1-CD2 3.59Å; F1683-Y1712 HydrophobicContact CE1-CD2 3.59Å; F1683-Y1712 AromaticContact CE1-CE2 3.28Å; F1683-Y1712 HydrophobicContact CE1-CE2 3.28Å; F1683-Y1712 HydrophobicContact CE1-CG 4.38Å; F1683-Y1712 AromaticContact CE1-CZ 3.86Å; F1683-Y1712 HydrophobicContact CZ-CD2 4.42Å; F1683-Y1712 AromaticContact CZ-CE2 3.8Å; F1683-Y1712 HydrophobicContact CZ-CE2 3.8Å; F1683-Y1712 AromaticContact CZ-CZ 3.9Å; W1684-Y1712 AromaticContact CE2-CD2 3.88Å; W1684-Y1712 HydrophobicContact CH2-CE2 4.45Å; W1684-Y1712 AromaticContact CZ2-CD2 3.67Å; W1684-Y1712 HydrophobicContact CZ2-CD2 3.67Å; W1684-Y1712 AromaticContact CZ2-CE2 3.94Å; W1684-Y1712 HydrophobicContact CZ2-CE2 3.94Å; W1684-Y1712 AromaticContact NE1-CD2 3.86Å; W1684-Y1712 PolarHBondContact NE1-O 2.82Å; I1695-Y1712 VanDerWaalsContact CG2-OH 3.28Å; I1695-Y1712 WeakPolarHBondContact CG2-OH 3.45Å; D1710-Y1712 PolarHBondContact O-N 2.76Å; D1710-Y1712 VanDerWaalsContact O-N 3.1Å; Y1712-Y1721 WeakPolarHBondContact O-CE2 3.38Å; Y1712-Y1721 VanDerWaalsContact O-CZ 3.22Å; Y1712-Y1721 PolarHBondContact O-OH 2.82Å; Y1712-H1757 AromaticContact CE2-CD2 3.93Å; Y1712-H1757 AromaticContact CZ-CD2 3.83Å; Y1712-H1757 AromaticContact CZ-NE2 3.63Å; Y1712-H1757 PolarHBondContact OH-CD2 3.18Å; Y1712-H1757 VanDerWaalsContact OH-CD2 3.25Å; Y1712-H1757 PolarHBondContact OH-NE2 2.73Å; Y1712-H1757 VanDerWaalsContact OH-NE2 3.09Å; Y1712-H1796 AromaticContact CE1-CE1 3.73Å; Y1712-H1796 AromaticContact CE1-NE2 3.47Å; Y1712-H1796 WeakPolarHBondContact CE1-NE2 3.28Å; Y1712-H1796 AromaticContact CZ-NE2 3.56Å; Y1712-H1796 PolarHBondContact OH-CD2 2.83Å; Y1712-H1796 PolarHBondContact OH-NE2 3.3Å | ||
| 1713 | W | 96.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 63 Ų | 63 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -116.7 | 153.6 | 174.8 | 66.3 | 87.9 | 0 | 0 | 0 | 111 | W1684 M1697 L1701 Q1711 V1728 I1742 H1757 | W1684-W1713 HydrophobicContact CZ2-CB 4.43Å; M1697-W1713 HydrophobicContact CE-CH2 3.99Å; M1697-W1713 HydrophobicContact CE-CZ3 4.16Å; M1697-W1713 HydrophobicContact SD-CH2 3.62Å; M1697-W1713 HydrophobicContact SD-CZ3 3.64Å; L1701-W1713 HydrophobicContact CD1-CH2 4.28Å; L1701-W1713 HydrophobicContact CD1-CZ2 4.23Å; L1701-W1713 HydrophobicContact CD2-CH2 3.75Å; L1701-W1713 HydrophobicContact CD2-CZ2 4.45Å; L1701-W1713 HydrophobicContact CD2-CZ3 4.26Å; L1701-W1713 HydrophobicContact CG-CH2 4.12Å; Q1711-W1713 VanDerWaalsContact C-N 3.29Å; Q1711-W1713 HydrophobicContact CG-CD2 3.72Å; Q1711-W1713 VanDerWaalsContact CG-CE2 3.45Å; Q1711-W1713 HydrophobicContact CG-CE3 4.08Å; Q1711-W1713 HydrophobicContact CG-CG 4.26Å; Q1711-W1713 HydrophobicContact CG-CH2 4.01Å; Q1711-W1713 HydrophobicContact CG-CZ2 3.61Å; Q1711-W1713 HydrophobicContact CG-CZ3 4.22Å; Q1711-W1713 PolarHBondContact NE2-O 2.6Å; Q1711-W1713 PolarHBondContact O-N 3.08Å; W1713-V1728 HydrophobicContact CB-CG2 4.5Å; W1713-I1742 HydrophobicContact CB-CD1 4.2Å; W1713-H1757 AromaticContact CE3-NE2 3.64Å; W1713-H1757 AromaticContact CZ3-CE1 3.96Å; W1713-H1757 AromaticContact CZ3-NE2 3.5Å; W1713-H1757 WeakPolarHBondContact CZ3-NE2 3.27Å |
| 1714 | P | 92.7 | Very high | 90.1 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | trans | -72.7 | 135.1 | 177.1 | 28.7 | -32.7 | 0 | 0 | 0 | 110.6 | R1716 A1719 V1728 | P1714-R1716 PolarHBondContact O-N 2.75Å; P1714-A1719 HydrophobicContact CB-CB 3.97Å; P1714-A1719 HydrophobicContact CG-CB 4.27Å; P1714-V1728 HydrophobicContact CG-CG2 3.99Å; P1714-V1728 WeakPolarHBondContact O-CG2 3.16Å | ||
| 1715 | S | 86.2 | Confident | 91.1 | Very high | 90 Ų | 90 | 59 Ų | 59 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62 | -28 | -177.6 | -49.4 | 0 | 0 | 0 | 0 | 113.3 | Q1711 | Q1711-S1715 PolarHBondContact NE2-OG 2.96Š|
| 1716 | R | 80.7 | Confident | 92.1 | Very high | 228 Ų | 228 | 54.6 Ų | 54.6 | 86% | 0.86 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -152.6 | 153 | 170.2 | -64.4 | -171.2 | 177.6 | -169.9 | -2.2 | 108.8 | P1714 | P1714-R1716 PolarHBondContact O-N 2.75Š|
| 1717 | G | 85.8 | Confident | 92.8 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 45% | 0.454 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 72.4 | -135 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1728 | G1717-V1728 PolarHBondContact O-N 3.3Š|
| 1718 | S | 92.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159.4 | -177.7 | 66.7 | 0 | 0 | 0 | 0 | 114.4 | H1725 V1726 | S1718-H1725 VanDerWaalsContact CB-NE2 3.31Å; S1718-H1725 WeakPolarHBondContact CB-NE2 3.25Å; S1718-H1725 PolarHBondContact OG-CE1 2.9Å; S1718-H1725 PolarHBondContact OG-NE2 2.91Å; S1718-V1726 CarbonylContact C-O 3.49Å; S1718-V1726 WeakPolarHBondContact CA-O 3.26Å; S1718-V1726 VanDerWaalsContact CB-O 3.25Å; S1718-V1726 WeakPolarHBondContact CB-O 3.4Å |
| 1719 | A | 92.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 161.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P1714 Y1721 H1725 V1726 | P1714-A1719 HydrophobicContact CB-CB 3.97Å; P1714-A1719 HydrophobicContact CG-CB 4.27Å; A1719-Y1721 HydrophobicContact CB-CE2 3.76Å; A1719-H1725 PolarHBondContact O-ND1 3.24Å; A1719-V1726 PolarHBondContact N-O 2.85Å; A1719-V1726 PolarHBondContact O-N 3.01Å |
| 1720 | T | 95.1 | Very high | 92.9 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124 | 174.7 | -54.5 | 0 | 0 | 0 | 0 | 109.4 | I1724 H1725 V1747 | T1720-I1724 CarbonylContact C-O 3.45Å; T1720-I1724 WeakPolarHBondContact CA-O 3.11Å; T1720-H1725 PolarHBondContact OG1-ND1 3.39Å; T1720-V1747 HydrophobicContact CG2-CG2 3.99Å |
| 1721 | Y | 94.7 | Very high | 92.6 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 13% | 0.129 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 111.9 | 177.8 | -55.8 | -82.8 | 0 | 0 | 0 | 108.7 | F1680 W1684 Y1712 A1719 C1723 I1724 V1726 | F1680-Y1721 HydrophobicContact CB-CD1 3.68Å; F1680-Y1721 HydrophobicContact CB-CE1 4.35Å; F1680-Y1721 HydrophobicContact CB-CG 4.28Å; F1680-Y1721 AromaticContact CD2-CD1 3.83Å; F1680-Y1721 HydrophobicContact CD2-CD1 3.83Å; F1680-Y1721 AromaticContact CD2-CE1 3.7Å; F1680-Y1721 HydrophobicContact CD2-CE1 3.7Å; F1680-Y1721 HydrophobicContact CE2-CE1 4.4Å; F1680-Y1721 HydrophobicContact CG-CD1 4.19Å; F1680-Y1721 HydrophobicContact CG-CE1 4.39Å; W1684-Y1721 AromaticContact CD1-CD2 3.48Å; W1684-Y1721 VanDerWaalsContact CD1-CD2 3.48Å; W1684-Y1721 AromaticContact CD1-CG 3.69Å; W1684-Y1721 HydrophobicContact CG-CD2 4.39Å; W1684-Y1721 AromaticContact NE1-CD2 3.58Å; W1684-Y1721 AromaticContact NE1-CE2 3.85Å; Y1712-Y1721 WeakPolarHBondContact O-CE2 3.38Å; Y1712-Y1721 VanDerWaalsContact O-CZ 3.22Å; Y1712-Y1721 PolarHBondContact O-OH 2.82Å; A1719-Y1721 HydrophobicContact CB-CE2 3.76Å; Y1721-C1723 PolarHBondContact O-N 3.33Å; Y1721-I1724 PolarHBondContact N-O 2.68Å; Y1721-I1724 PolarHBondContact O-N 2.86Å; Y1721-V1726 HydrophobicContact CD2-CB 4.01Å; Y1721-V1726 HydrophobicContact CD2-CG2 3.73Å; Y1721-V1726 HydrophobicContact CE2-CB 4.01Å; Y1721-V1726 HydrophobicContact CE2-CG1 4.35Å; Y1721-V1726 HydrophobicContact CE2-CG2 4.23Å |
| 1722 | G | 91 | Very high | 92 | Very high | 65 Ų | 65 | 53.6 Ų | 53.6 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | -121.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1723 | C | 92 | Very high | 91.5 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8 | 176.9 | 66.3 | 0 | 0 | 0 | 0 | 114.7 | Y1721 V1747 | Y1721-C1723 PolarHBondContact O-N 3.33Å; C1723-V1747 WeakPolarHBondContact O-CG2 3.48Å; C1723-V1747 PolarHBondContact O-N 2.76Å |
| 1724 | I | 96.9 | Very high | 91 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.2 | -177 | -50.8 | -58.6 | 0 | 0 | 0 | 110.2 | W1684 R1685 W1688 T1720 Y1721 V1726 I1744 C1745 R1746 | W1684-I1724 HydrophobicContact CB-CB 3.99Å; W1684-I1724 HydrophobicContact CB-CG1 4.2Å; W1684-I1724 HydrophobicContact CB-CG2 4.17Å; R1685-I1724 HydrophobicContact CB-CG1 4.42Å; W1688-I1724 HydrophobicContact CB-CD1 3.69Å; W1688-I1724 HydrophobicContact CB-CG1 4.31Å; W1688-I1724 HydrophobicContact CD2-CD1 4.06Å; W1688-I1724 HydrophobicContact CE3-CD1 4.43Å; W1688-I1724 HydrophobicContact CG-CD1 3.69Å; T1720-I1724 CarbonylContact C-O 3.45Å; T1720-I1724 WeakPolarHBondContact CA-O 3.11Å; Y1721-I1724 PolarHBondContact N-O 2.68Å; Y1721-I1724 PolarHBondContact O-N 2.86Å; I1724-V1726 HydrophobicContact CG2-CG2 3.95Å; I1724-I1744 HydrophobicContact CG2-CB 4.04Å; I1724-C1745 CarbonylContact C-O 3.6Å; I1724-C1745 WeakPolarHBondContact CA-O 3.38Å; I1724-R1746 HydrophobicContact CD1-CB 3.89Å; I1724-R1746 HydrophobicContact CD1-CG 4.15Å |
| 1725 | H | 95.8 | Very high | 90.7 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 135.2 | 167.8 | -165.3 | 66 | 0 | 0 | 0 | 109.6 | S1718 A1719 T1720 I1744 C1745 | S1718-H1725 VanDerWaalsContact CB-NE2 3.31Å; S1718-H1725 WeakPolarHBondContact CB-NE2 3.25Å; S1718-H1725 PolarHBondContact OG-CE1 2.9Å; S1718-H1725 PolarHBondContact OG-NE2 2.91Å; A1719-H1725 PolarHBondContact O-ND1 3.24Å; T1720-H1725 PolarHBondContact OG1-ND1 3.39Å; H1725-I1744 CarbonylContact O-C 3.45Å; H1725-I1744 VanDerWaalsContact O-CA 3.29Å; H1725-I1744 WeakPolarHBondContact O-CA 3.43Å; H1725-C1745 PolarHBondContact N-O 3.19Å; H1725-C1745 PolarHBondContact O-N 3.29Å |
| 1726 | V | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 122 | -168.3 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | W1684 S1718 A1719 Y1721 I1724 I1742 I1744 | W1684-V1726 HydrophobicContact CB-CG2 4.45Å; W1684-V1726 HydrophobicContact CD2-CG1 4.38Å; W1684-V1726 HydrophobicContact CD2-CG2 3.67Å; W1684-V1726 HydrophobicContact CE3-CG2 4.13Å; W1684-V1726 HydrophobicContact CG-CG2 3.81Å; W1684-V1726 HydrophobicContact CH2-CG1 4Å; W1684-V1726 HydrophobicContact CZ2-CG1 3.66Å; W1684-V1726 HydrophobicContact CZ2-CG2 4.45Å; W1684-V1726 HydrophobicContact CZ3-CG1 4.48Å; S1718-V1726 CarbonylContact C-O 3.49Å; S1718-V1726 WeakPolarHBondContact CA-O 3.26Å; S1718-V1726 VanDerWaalsContact CB-O 3.25Å; S1718-V1726 WeakPolarHBondContact CB-O 3.4Å; A1719-V1726 PolarHBondContact N-O 2.85Å; A1719-V1726 PolarHBondContact O-N 3.01Å; Y1721-V1726 HydrophobicContact CD2-CB 4.01Å; Y1721-V1726 HydrophobicContact CD2-CG2 3.73Å; Y1721-V1726 HydrophobicContact CE2-CB 4.01Å; Y1721-V1726 HydrophobicContact CE2-CG1 4.35Å; Y1721-V1726 HydrophobicContact CE2-CG2 4.23Å; I1724-V1726 HydrophobicContact CG2-CG2 3.95Å; V1726-I1742 HydrophobicContact CG1-CG2 3.43Å; V1726-I1742 VanDerWaalsContact CG1-CG2 3.43Å; V1726-I1744 HydrophobicContact CB-CG2 4.44Å; V1726-I1744 HydrophobicContact CG1-CG2 4.27Å; V1726-I1744 HydrophobicContact CG2-CG2 4.03Å |
| 1727 | V | 95.8 | Very high | 91.3 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.3 | -172.6 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | K1729 I1742 Q1743 | V1727-K1729 HydrophobicContact CG1-CD 4.33Å; V1727-K1729 PolarHBondContact O-N 2.88Å; V1727-I1742 CarbonylContact O-C 3.49Å; V1727-I1742 WeakPolarHBondContact O-CA 3.49Å; V1727-Q1743 HydrophobicContact CB-CB 4.4Å; V1727-Q1743 PolarHBondContact N-O 2.97Å; V1727-Q1743 PolarHBondContact O-N 2.8Å |
| 1728 | V | 94.8 | Very high | 91.6 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.5 | 171.5 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | W1713 P1714 G1717 V1731 I1742 | W1713-V1728 HydrophobicContact CB-CG2 4.5Å; P1714-V1728 HydrophobicContact CG-CG2 3.99Å; P1714-V1728 WeakPolarHBondContact O-CG2 3.16Å; G1717-V1728 PolarHBondContact O-N 3.3Å; V1728-V1731 HydrophobicContact CG1-CG2 3.68Å; V1728-I1742 HydrophobicContact CG2-CD1 4.35Å; V1728-I1742 HydrophobicContact CG2-CG1 4.2Å |
| 1729 | K | 92.3 | Very high | 91.6 | Very high | 112 Ų | 112 | 42.9 Ų | 42.9 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -47.8 | -179.3 | -62.2 | -71.4 | -176 | 166 | 0 | 111.8 | V1727 L1741 Q1743 | V1727-K1729 HydrophobicContact CG1-CD 4.33Å; V1727-K1729 PolarHBondContact O-N 2.88Å; K1729-L1741 HydrophobicContact CB-CB 4.34Å; K1729-L1741 HydrophobicContact CB-CD2 4.22Å; K1729-L1741 HydrophobicContact CB-CG 4.22Å; K1729-L1741 PolarHBondContact N-O 3.22Å; K1729-Q1743 HydrophobicContact CD-CB 4.42Å; K1729-Q1743 VanDerWaalsContact CE-CD 3.46Å; K1729-Q1743 HydrophobicContact CG-CB 4.1Å |
| 1730 | E | 89.4 | Confident | 91.7 | Very high | 112 Ų | 112 | 42.6 Ų | 42.6 | 52% | 0.523 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.3 | -176.2 | -170.9 | 175.7 | 167.7 | 0 | 0 | 110.5 | T1732 R1740 L1741 | E1730-T1732 PolarHBondContact OE1-OG1 3.09Å; E1730-R1740 CarbonylContact O-C 3.52Å; E1730-R1740 VanDerWaalsContact O-CA 3.32Å; E1730-R1740 WeakPolarHBondContact O-CA 3.36Å; E1730-L1741 HydrophobicContact CB-CB 4.13Å; E1730-L1741 PolarHBondContact N-O 3.14Å; E1730-L1741 PolarHBondContact O-N 3.22Å |
| 1731 | V | 89.5 | Confident | 91.6 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 40% | 0.4 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 122 | 170.8 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | V1728 E1733 T1738 L1739 R1740 | V1728-V1731 HydrophobicContact CG1-CG2 3.68Å; V1731-E1733 HydrophobicContact CG1-CG 4.33Å; V1731-T1738 HydrophobicContact CG1-CG2 3.76Å; V1731-L1739 WeakPolarHBondContact CA-O 3.48Å; V1731-R1740 HydrophobicContact CG1-CG 4.21Å; V1731-R1740 HydrophobicContact CG2-CB 4.48Å; V1731-R1740 HydrophobicContact CG2-CG 4.06Å |
| 1732 | T | 84.5 | Confident | 91.7 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 113.8 | -179.3 | -32 | 0 | 0 | 0 | 0 | 108.6 | E1730 F1734 T1738 L1739 | E1730-T1732 PolarHBondContact OE1-OG1 3.09Å; T1732-F1734 HydrophobicContact CG2-CE1 4.11Å; T1732-F1734 HydrophobicContact CG2-CE2 3.91Å; T1732-F1734 HydrophobicContact CG2-CZ 3.54Å; T1732-T1738 WeakPolarHBondContact O-CA 3.39Å; T1732-L1739 PolarHBondContact N-O 3.4Å; T1732-L1739 PolarHBondContact O-N 3.08Å |
| 1733 | E | 84.2 | Confident | 91.9 | Very high | 124 Ų | 124 | 38.2 Ų | 38.2 | 58% | 0.579 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.8 | -179.8 | -68.3 | -177 | 165.2 | 0 | 0 | 111 | V1731 T1738 | V1731-E1733 HydrophobicContact CG1-CG 4.33Å; E1733-T1738 HydrophobicContact CG-CG2 3.8Å |
| 1734 | F | 87.1 | Confident | 92.1 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | trans | -115.1 | 163.6 | 173.9 | -50.7 | -85.6 | 0 | 0 | 0 | 109.4 | T1732 Y1736 Y1737 L1739 Y1952 R1953 | T1732-F1734 HydrophobicContact CG2-CE1 4.11Å; T1732-F1734 HydrophobicContact CG2-CE2 3.91Å; T1732-F1734 HydrophobicContact CG2-CZ 3.54Å; F1734-Y1736 PolarHBondContact O-N 2.8Å; F1734-Y1736 VanDerWaalsContact O-N 3.15Å; F1734-Y1737 CarbonylContact C-O 3.52Å; F1734-Y1737 WeakPolarHBondContact CA-O 3.25Å; F1734-Y1737 HydrophobicContact CB-CD1 4.12Å; F1734-Y1737 HydrophobicContact CB-CE1 4.02Å; F1734-Y1737 HydrophobicContact CB-CE2 4.48Å; F1734-Y1737 HydrophobicContact CB-CG 4.37Å; F1734-Y1737 WeakPolarHBondContact CB-O 3.32Å; F1734-Y1737 AromaticContact CD2-CD2 3.6Å; F1734-Y1737 HydrophobicContact CD2-CD2 3.6Å; F1734-Y1737 HydrophobicContact CD2-CE1 4.25Å; F1734-Y1737 AromaticContact CD2-CE2 3.25Å; F1734-Y1737 HydrophobicContact CD2-CE2 3.25Å; F1734-Y1737 HydrophobicContact CD2-CG 4.23Å; F1734-Y1737 AromaticContact CD2-CZ 3.6Å; F1734-Y1737 HydrophobicContact CE2-CD2 4.18Å; F1734-Y1737 AromaticContact CE2-CE2 3.53Å; F1734-Y1737 HydrophobicContact CE2-CE2 3.53Å; F1734-Y1737 HydrophobicContact CG-CD2 4.4Å; F1734-Y1737 HydrophobicContact CG-CE1 4.17Å; F1734-Y1737 AromaticContact CG-CE2 3.98Å; F1734-Y1737 HydrophobicContact CG-CE2 3.98Å; F1734-Y1737 AromaticContact CG-CZ 3.84Å; F1734-Y1737 HydrophobicContact CZ-CE2 4.44Å; F1734-Y1737 PolarHBondContact N-O 3.25Å; F1734-Y1737 PolarHBondContact O-N 3.24Å; F1734-L1739 HydrophobicContact CE2-CB 3.99Å; F1734-Y1952 HydrophobicContact CD1-CE1 4.3Å; F1734-Y1952 AromaticContact CD1-CE2 3.97Å; F1734-Y1952 HydrophobicContact CD1-CE2 3.97Å; F1734-Y1952 AromaticContact CD1-CZ 3.81Å; F1734-Y1952 HydrophobicContact CE1-CE1 4.29Å; F1734-Y1952 HydrophobicContact CE1-CE2 4.29Å; F1734-Y1952 AromaticContact CE1-CZ 3.75Å; F1734-Y1952 WeakPolarHBondContact CE1-OH 3.35Å; F1734-R1953 CarbonylContact C-O 3.56Å | ||
| 1735 | A | 85.7 | Confident | 92 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -60.2 | -30.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1950 G1951 Y1952 R1953 R1955 | A1735-D1950 HydrophobicContact CB-CB 4.41Å; A1735-G1951 WeakPolarHBondContact CB-O 3.35Å; A1735-Y1952 WeakPolarHBondContact CB-O 3.44Å; A1735-Y1952 PolarHBondContact N-O 2.69Å; A1735-R1953 PolarHBondContact N-O 3.46Å; A1735-R1955 HydrophobicContact CB-CG 4.19Å; A1735-R1955 WeakPolarHBondContact O-CD 3.31Å; A1735-R1955 WeakPolarHBondContact O-CG 3.37Å |
| 1736 | Y | 89.7 | Confident | 91.9 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 11% | 0.106 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -113.3 | -9.7 | -177.1 | -48.5 | -63.4 | 0 | 0 | 0 | 114.7 | F1734 F1760 T1761 A1762 A1774 D1950 L2122 | F1734-Y1736 PolarHBondContact O-N 2.8Å; F1734-Y1736 VanDerWaalsContact O-N 3.15Å; Y1736-F1760 WeakPolarHBondContact O-CD2 3.49Å; Y1736-T1761 VanDerWaalsContact C-OG1 3.23Å; Y1736-T1761 PolarHBondContact O-N 2.85Å; Y1736-T1761 PolarHBondContact O-OG1 3.11Å; Y1736-A1762 HydrophobicContact CD1-CB 3.86Å; Y1736-A1762 HydrophobicContact CG-CB 4.29Å; Y1736-A1762 PolarHBondContact O-N 3.29Å; Y1736-A1774 HydrophobicContact CD1-CB 4.05Å; Y1736-A1774 HydrophobicContact CD2-CB 4.02Å; Y1736-A1774 HydrophobicContact CE1-CB 4.33Å; Y1736-A1774 HydrophobicContact CE2-CB 4.31Å; Y1736-A1774 HydrophobicContact CG-CB 3.88Å; Y1736-D1950 HydrophobicContact CE1-CB 4.2Å; Y1736-D1950 WeakPolarHBondContact CE1-OD2 3.33Å; Y1736-L2122 HydrophobicContact CE2-CD1 3.83Å; Y1736-L2122 HydrophobicContact CE2-CD2 4.5Å |
| 1737 | Y | 91 | Very high | 91.6 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 164 | -176.5 | 66.6 | -84.8 | 0 | 0 | 0 | 113.6 | F1734 Q1759 T1761 F1778 H1781 | F1734-Y1737 CarbonylContact C-O 3.52Å; F1734-Y1737 WeakPolarHBondContact CA-O 3.25Å; F1734-Y1737 HydrophobicContact CB-CD1 4.12Å; F1734-Y1737 HydrophobicContact CB-CE1 4.02Å; F1734-Y1737 HydrophobicContact CB-CE2 4.48Å; F1734-Y1737 HydrophobicContact CB-CG 4.37Å; F1734-Y1737 WeakPolarHBondContact CB-O 3.32Å; F1734-Y1737 AromaticContact CD2-CD2 3.6Å; F1734-Y1737 HydrophobicContact CD2-CD2 3.6Å; F1734-Y1737 HydrophobicContact CD2-CE1 4.25Å; F1734-Y1737 AromaticContact CD2-CE2 3.25Å; F1734-Y1737 HydrophobicContact CD2-CE2 3.25Å; F1734-Y1737 HydrophobicContact CD2-CG 4.23Å; F1734-Y1737 AromaticContact CD2-CZ 3.6Å; F1734-Y1737 HydrophobicContact CE2-CD2 4.18Å; F1734-Y1737 AromaticContact CE2-CE2 3.53Å; F1734-Y1737 HydrophobicContact CE2-CE2 3.53Å; F1734-Y1737 HydrophobicContact CG-CD2 4.4Å; F1734-Y1737 HydrophobicContact CG-CE1 4.17Å; F1734-Y1737 AromaticContact CG-CE2 3.98Å; F1734-Y1737 HydrophobicContact CG-CE2 3.98Å; F1734-Y1737 AromaticContact CG-CZ 3.84Å; F1734-Y1737 HydrophobicContact CZ-CE2 4.44Å; F1734-Y1737 PolarHBondContact N-O 3.25Å; F1734-Y1737 PolarHBondContact O-N 3.24Å; Y1737-Q1759 CarbonylContact C-O 3.52Å; Y1737-Q1759 WeakPolarHBondContact CA-O 3.29Å; Y1737-Q1759 WeakPolarHBondContact CB-O 3.22Å; Y1737-T1761 PolarHBondContact N-OG1 2.73Å; Y1737-F1778 VanDerWaalsContact CB-CD2 3.46Å; Y1737-F1778 HydrophobicContact CD1-CD2 4.05Å; Y1737-F1778 AromaticContact CD2-CD2 3.98Å; Y1737-F1778 HydrophobicContact CD2-CD2 3.98Å; Y1737-F1778 HydrophobicContact CD2-CE2 4.25Å; Y1737-F1778 AromaticContact CG-CD2 3.59Å; Y1737-F1778 HydrophobicContact CG-CD2 3.59Å; Y1737-F1778 HydrophobicContact CG-CE2 4.12Å; Y1737-H1781 AromaticContact CE2-CD2 3.81Å; Y1737-H1781 PolarHBondContact OH-ND1 2.74Å |
| 1738 | T | 91.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125 | 174.2 | -51.5 | 0 | 0 | 0 | 0 | 110 | V1731 T1732 E1733 R1740 Q1759 | V1731-T1738 HydrophobicContact CG1-CG2 3.76Å; T1732-T1738 WeakPolarHBondContact O-CA 3.39Å; E1733-T1738 HydrophobicContact CG-CG2 3.8Å; T1738-R1740 HydrophobicContact CG2-CG 4.24Å; T1738-Q1759 PolarHBondContact N-O 2.68Å; T1738-Q1759 PolarHBondContact O-N 2.93Å |
| 1739 | L | 92.2 | Very high | 90.7 | Very high | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.5 | 167.9 | 175.5 | 62.8 | 0 | 0 | 0 | 109.3 | V1731 T1732 F1734 R1756 H1757 L1758 | V1731-L1739 WeakPolarHBondContact CA-O 3.48Å; T1732-L1739 PolarHBondContact N-O 3.4Å; T1732-L1739 PolarHBondContact O-N 3.08Å; F1734-L1739 HydrophobicContact CE2-CB 3.99Å; L1739-R1756 HydrophobicContact CD1-CB 4.21Å; L1739-H1757 CarbonylContact C-O 3.57Å; L1739-L1758 HydrophobicContact CD1-CD1 4.47Å; L1739-L1758 HydrophobicContact CD1-CD2 4.2Å; L1739-L1758 HydrophobicContact CD1-CG 3.88Å |
| 1740 | R | 94.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.1 | 168.1 | -50.1 | -171.5 | 179.1 | 90.3 | 12.1 | 109.2 | E1730 V1731 T1738 I1742 H1757 Q1759 | E1730-R1740 CarbonylContact O-C 3.52Å; E1730-R1740 VanDerWaalsContact O-CA 3.32Å; E1730-R1740 WeakPolarHBondContact O-CA 3.36Å; V1731-R1740 HydrophobicContact CG1-CG 4.21Å; V1731-R1740 HydrophobicContact CG2-CB 4.48Å; V1731-R1740 HydrophobicContact CG2-CG 4.06Å; T1738-R1740 HydrophobicContact CG2-CG 4.24Å; R1740-I1742 HydrophobicContact CB-CD1 4.25Å; R1740-I1742 HydrophobicContact CB-CG1 4.09Å; R1740-H1757 HydrophobicContact CB-CB 4.25Å; R1740-H1757 PolarHBondContact N-O 2.78Å; R1740-H1757 PolarHBondContact NH1-CE1 2.79Å; R1740-H1757 PolarHBondContact NH1-ND1 3.13Å; R1740-H1757 PolarHBondContact O-N 2.91Å; R1740-Q1759 VanDerWaalsContact CZ-OE1 3.32Å |
| 1741 | L | 93.7 | Very high | 90.5 | Very high | 50 Ų | 50 | 48.6 Ų | 48.6 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117.6 | 170.8 | -175.7 | 63.7 | 0 | 0 | 0 | 108.2 | K1729 E1730 D1754 R1756 | K1729-L1741 HydrophobicContact CB-CB 4.34Å; K1729-L1741 HydrophobicContact CB-CD2 4.22Å; K1729-L1741 HydrophobicContact CB-CG 4.22Å; K1729-L1741 PolarHBondContact N-O 3.22Å; E1730-L1741 HydrophobicContact CB-CB 4.13Å; E1730-L1741 PolarHBondContact N-O 3.14Å; E1730-L1741 PolarHBondContact O-N 3.22Å; L1741-D1754 HydrophobicContact CD1-CB 4.16Å; L1741-R1756 HydrophobicContact CD1-CG 4.26Å |
| 1742 | I | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.3 | -172.3 | -52.5 | -173.4 | 0 | 0 | 0 | 109.1 | W1684 W1713 V1726 V1727 V1728 R1740 I1744 V1755 H1757 | W1684-I1742 HydrophobicContact CH2-CD1 4.06Å; W1684-I1742 HydrophobicContact CH2-CG2 3.95Å; W1684-I1742 HydrophobicContact CZ3-CG2 4.5Å; W1713-I1742 HydrophobicContact CB-CD1 4.2Å; V1726-I1742 HydrophobicContact CG1-CG2 3.43Å; V1726-I1742 VanDerWaalsContact CG1-CG2 3.43Å; V1727-I1742 CarbonylContact O-C 3.49Å; V1727-I1742 WeakPolarHBondContact O-CA 3.49Å; V1728-I1742 HydrophobicContact CG2-CD1 4.35Å; V1728-I1742 HydrophobicContact CG2-CG1 4.2Å; R1740-I1742 HydrophobicContact CB-CD1 4.25Å; R1740-I1742 HydrophobicContact CB-CG1 4.09Å; I1742-I1744 HydrophobicContact CG2-CG2 4.15Å; I1742-V1755 PolarHBondContact N-O 3.39Å; I1742-V1755 PolarHBondContact O-N 3.39Å; I1742-H1757 HydrophobicContact CD1-CB 3.72Å; I1742-H1757 HydrophobicContact CG1-CB 4.34Å |
| 1743 | Q | 95.5 | Very high | 91.1 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.1 | 174.5 | -175.9 | 162.8 | 81.8 | 0 | 0 | 110 | V1727 K1729 L1752 R1753 D1754 | V1727-Q1743 HydrophobicContact CB-CB 4.4Å; V1727-Q1743 PolarHBondContact N-O 2.97Å; V1727-Q1743 PolarHBondContact O-N 2.8Å; K1729-Q1743 HydrophobicContact CD-CB 4.42Å; K1729-Q1743 VanDerWaalsContact CE-CD 3.46Å; K1729-Q1743 HydrophobicContact CG-CB 4.1Å; Q1743-L1752 HydrophobicContact CG-CB 4.37Å; Q1743-L1752 HydrophobicContact CG-CD2 3.87Å; Q1743-R1753 CarbonylContact C-O 3.48Å; Q1743-R1753 WeakPolarHBondContact CA-O 3.49Å; Q1743-D1754 WeakPolarHBondContact CB-OD1 3.25Å; Q1743-D1754 VanDerWaalsContact CG-OD1 3.29Å; Q1743-D1754 WeakPolarHBondContact CG-OD1 3.36Å; Q1743-D1754 PolarHBondContact NE2-OD1 3.48Å |
| 1744 | I | 96.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 150.7 | 179.7 | 68.2 | 171.6 | 0 | 0 | 0 | 112 | W1684 V1687 W1688 I1724 H1725 V1726 I1742 R1753 V1755 | W1684-I1744 HydrophobicContact CE3-CG2 3.89Å; W1684-I1744 HydrophobicContact CZ3-CG2 3.73Å; V1687-I1744 HydrophobicContact CG1-CD1 3.92Å; W1688-I1744 HydrophobicContact CE3-CD1 3.86Å; W1688-I1744 HydrophobicContact CE3-CG1 3.92Å; W1688-I1744 HydrophobicContact CZ3-CG1 4.17Å; I1724-I1744 HydrophobicContact CG2-CB 4.04Å; H1725-I1744 CarbonylContact O-C 3.45Å; H1725-I1744 VanDerWaalsContact O-CA 3.29Å; H1725-I1744 WeakPolarHBondContact O-CA 3.43Å; V1726-I1744 HydrophobicContact CB-CG2 4.44Å; V1726-I1744 HydrophobicContact CG1-CG2 4.27Å; V1726-I1744 HydrophobicContact CG2-CG2 4.03Å; I1742-I1744 HydrophobicContact CG2-CG2 4.15Å; I1744-R1753 HydrophobicContact CG1-CB 4.09Å; I1744-R1753 PolarHBondContact N-O 2.82Å; I1744-R1753 PolarHBondContact O-N 2.84Å; I1744-V1755 HydrophobicContact CD1-CG2 3.76Å; I1744-V1755 HydrophobicContact CG1-CG2 3.97Å; I1744-V1755 HydrophobicContact CG2-CG2 4.44Å |
| 1745 | C | 95.2 | Very high | 92 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 131.8 | 179.9 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | I1724 H1725 H1749 E1751 L1752 | I1724-C1745 CarbonylContact C-O 3.6Å; I1724-C1745 WeakPolarHBondContact CA-O 3.38Å; H1725-C1745 PolarHBondContact N-O 3.19Å; H1725-C1745 PolarHBondContact O-N 3.29Å; C1745-H1749 PolarHBondContact SG-O 2.85Å; C1745-E1751 PolarHBondContact SG-O 2.82Å; C1745-L1752 HydrophobicContact CB-CD2 3.84Å |
| 1746 | R | 94.2 | Very high | 92.4 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 40% | 0.404 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 127.4 | 169.2 | -179.6 | 175.6 | -178.7 | 165.9 | 3.2 | 109.4 | W1688 I1724 G1748 H1749 | W1688-R1746 HydrophobicContact CD2-CB 4.03Å; W1688-R1746 HydrophobicContact CE3-CB 4.46Å; W1688-R1746 HydrophobicContact CH2-CB 4.26Å; W1688-R1746 HydrophobicContact CZ2-CB 3.78Å; I1724-R1746 HydrophobicContact CD1-CB 3.89Å; I1724-R1746 HydrophobicContact CD1-CG 4.15Å; R1746-G1748 PolarHBondContact O-N 3.49Å; R1746-H1749 HydrophobicContact CB-CB 3.95Å; R1746-H1749 HydrophobicContact CG-CB 4.43Å; R1746-H1749 VanDerWaalsContact O-CB 3.32Å; R1746-H1749 WeakPolarHBondContact O-CB 3.24Å; R1746-H1749 PolarHBondContact O-N 3.24Å |
| 1747 | V | 89.7 | Confident | 92.8 | Very high | 93 Ų | 93 | 50 Ų | 50 | 56% | 0.564 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 122.2 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | T1720 C1723 | T1720-V1747 HydrophobicContact CG2-CG2 3.99Å; C1723-V1747 WeakPolarHBondContact O-CG2 3.48Å; C1723-V1747 PolarHBondContact O-N 2.76Å |
| 1748 | G | 85.8 | Confident | 93 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 91% | 0.907 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | -0.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1746 | R1746-G1748 PolarHBondContact O-N 3.49Š|
| 1749 | H | 86.4 | Confident | 93.3 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | trans | -108.9 | 139.7 | 176.1 | -157 | -111.8 | 0 | 0 | 0 | 110.2 | W1688 C1745 R1746 E1751 | W1688-H1749 AromaticContact CZ2-ND1 3.72Å; C1745-H1749 PolarHBondContact SG-O 2.85Å; R1746-H1749 HydrophobicContact CB-CB 3.95Å; R1746-H1749 HydrophobicContact CG-CB 4.43Å; R1746-H1749 VanDerWaalsContact O-CB 3.32Å; R1746-H1749 WeakPolarHBondContact O-CB 3.24Å; R1746-H1749 PolarHBondContact O-N 3.24Å; H1749-E1751 VanDerWaalsContact C-N 3.33Å; H1749-E1751 IonicContact CE1-OE2 3.54Å; H1749-E1751 PolarHBondContact CE1-OE2 2.79Å; H1749-E1751 VanDerWaalsContact ND1-CB 3.29Å; H1749-E1751 WeakPolarHBondContact ND1-CB 3.36Å; H1749-E1751 IonicContact ND1-OE2 3.34Å | ||
| 1750 | P | 86.3 | Confident | 93.5 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 78% | 0.779 | 26% | 0.264 | S | S | * | . | trans | -80.6 | -13.5 | -176.4 | 32.5 | -36.4 | 0 | 0 | 0 | 113.9 | ||||
| 1751 | E | 92 | Very high | 93.3 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 34% | 0.341 | 27% | 0.269 | S | S | . | . | trans | -70.5 | 134.4 | -178.1 | -172.6 | -173.8 | -172.7 | 0 | 0 | 111.5 | W1688 C1745 H1749 R1753 | W1688-E1751 HydrophobicContact CH2-CB 3.95Å; W1688-E1751 HydrophobicContact CH2-CG 4.09Å; W1688-E1751 WeakPolarHBondContact CH2-O 3.33Å; W1688-E1751 HydrophobicContact CZ2-CB 4.35Å; W1688-E1751 WeakPolarHBondContact CZ2-OE2 3.5Å; C1745-E1751 PolarHBondContact SG-O 2.82Å; H1749-E1751 VanDerWaalsContact C-N 3.33Å; H1749-E1751 IonicContact CE1-OE2 3.54Å; H1749-E1751 PolarHBondContact CE1-OE2 2.79Å; H1749-E1751 VanDerWaalsContact ND1-CB 3.29Å; H1749-E1751 WeakPolarHBondContact ND1-CB 3.36Å; H1749-E1751 IonicContact ND1-OE2 3.34Å; E1751-R1753 VanDerWaalsContact CD-NE 3.3Å; E1751-R1753 HydrophobicContact CG-CG 4.26Å; E1751-R1753 IonicContact OE1-CZ 3.94Å; E1751-R1753 VanDerWaalsContact OE1-CZ 3.25Å; E1751-R1753 IonicContact OE1-NE 3.51Å; E1751-R1753 PolarHBondContact OE1-NE 2.9Å; E1751-R1753 IonicContact OE1-NH2 2.74Å; E1751-R1753 PolarHBondContact OE1-NH2 2.78Å; E1751-R1753 IonicContact OE2-CZ 3.48Å; E1751-R1753 IonicContact OE2-NE 3.9Å; E1751-R1753 IonicContact OE2-NH2 2.69Å; E1751-R1753 PolarHBondContact OE2-NH2 2.8Å | ||
| 1752 | L | 92.1 | Very high | 93.1 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 53% | 0.534 | 26% | 0.264 | S | S | . | . | trans | -114.7 | 135.6 | 171.6 | -73.2 | 161.2 | 0 | 0 | 0 | 108.1 | Q1743 C1745 | Q1743-L1752 HydrophobicContact CG-CB 4.37Å; Q1743-L1752 HydrophobicContact CG-CD2 3.87Å; C1745-L1752 HydrophobicContact CB-CD2 3.84Å | ||
| 1753 | R | 93.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 18% | 0.177 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.9 | 175.3 | -60 | -172.6 | -169.9 | 146.9 | 11.6 | 110.6 | W1688 Q1743 I1744 E1751 | W1688-R1753 HydrophobicContact CH2-CG 4.45Å; W1688-R1753 HydrophobicContact CZ3-CG 4.18Å; W1688-R1753 PolarHBondContact O-NH1 2.98Å; Q1743-R1753 CarbonylContact C-O 3.48Å; Q1743-R1753 WeakPolarHBondContact CA-O 3.49Å; I1744-R1753 HydrophobicContact CG1-CB 4.09Å; I1744-R1753 PolarHBondContact N-O 2.82Å; I1744-R1753 PolarHBondContact O-N 2.84Å; E1751-R1753 VanDerWaalsContact CD-NE 3.3Å; E1751-R1753 HydrophobicContact CG-CG 4.26Å; E1751-R1753 IonicContact OE1-CZ 3.94Å; E1751-R1753 VanDerWaalsContact OE1-CZ 3.25Å; E1751-R1753 IonicContact OE1-NE 3.51Å; E1751-R1753 PolarHBondContact OE1-NE 2.9Å; E1751-R1753 IonicContact OE1-NH2 2.74Å; E1751-R1753 PolarHBondContact OE1-NH2 2.78Å; E1751-R1753 IonicContact OE2-CZ 3.48Å; E1751-R1753 IonicContact OE2-NE 3.9Å; E1751-R1753 IonicContact OE2-NH2 2.69Å; E1751-R1753 PolarHBondContact OE2-NH2 2.8Å |
| 1754 | D | 93.6 | Very high | 92.3 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 40% | 0.401 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.9 | 174.8 | -66.2 | -21.7 | 0 | 0 | 0 | 110.1 | L1741 Q1743 | L1741-D1754 HydrophobicContact CD1-CB 4.16Å; Q1743-D1754 WeakPolarHBondContact CB-OD1 3.25Å; Q1743-D1754 VanDerWaalsContact CG-OD1 3.29Å; Q1743-D1754 WeakPolarHBondContact CG-OD1 3.36Å; Q1743-D1754 PolarHBondContact NE2-OD1 3.48Å |
| 1755 | V | 95.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.4 | -177.3 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | V1687 A1693 I1695 I1742 I1744 | V1687-V1755 HydrophobicContact CG1-CG1 4.29Å; V1687-V1755 HydrophobicContact CG1-CG2 4.08Å; A1693-V1755 CarbonylContact O-C 3.55Å; A1693-V1755 WeakPolarHBondContact O-CA 3.36Å; I1695-V1755 HydrophobicContact CD1-CG1 3.6Å; I1695-V1755 HydrophobicContact CG1-CG1 3.75Å; I1742-V1755 PolarHBondContact N-O 3.39Å; I1742-V1755 PolarHBondContact O-N 3.39Å; I1744-V1755 HydrophobicContact CD1-CG2 3.76Å; I1744-V1755 HydrophobicContact CG1-CG2 3.97Å; I1744-V1755 HydrophobicContact CG2-CG2 4.44Å |
| 1756 | R | 95.9 | Very high | 89.9 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 25% | 0.253 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 112.1 | -179.8 | -59.4 | -174.8 | -175.1 | 90 | 11.3 | 108.8 | A1693 T1694 I1695 L1739 L1741 L1758 V1785 | A1693-R1756 PolarHBondContact O-N 2.61Å; T1694-R1756 WeakPolarHBondContact CA-O 3.15Å; I1695-R1756 PolarHBondContact N-O 2.69Å; L1739-R1756 HydrophobicContact CD1-CB 4.21Å; L1741-R1756 HydrophobicContact CD1-CG 4.26Å; R1756-L1758 HydrophobicContact CB-CD1 4.21Å; R1756-L1758 WeakPolarHBondContact O-CD1 2.95Å; R1756-V1785 HydrophobicContact CB-CG2 4.3Å; R1756-V1785 WeakPolarHBondContact CD-O 3.37Å; R1756-V1785 PolarHBondContact NH1-O 3.11Å |
| 1757 | H | 96.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 109.8 | -179.7 | 171 | -61.5 | 0 | 0 | 0 | 109.8 | I1695 Y1712 W1713 L1739 R1740 I1742 | I1695-H1757 HydrophobicContact CB-CB 4.47Å; I1695-H1757 CarbonylContact O-C 3.57Å; I1695-H1757 WeakPolarHBondContact O-CA 3.33Å; Y1712-H1757 AromaticContact CE2-CD2 3.93Å; Y1712-H1757 AromaticContact CZ-CD2 3.83Å; Y1712-H1757 AromaticContact CZ-NE2 3.63Å; Y1712-H1757 PolarHBondContact OH-CD2 3.18Å; Y1712-H1757 VanDerWaalsContact OH-CD2 3.25Å; Y1712-H1757 PolarHBondContact OH-NE2 2.73Å; Y1712-H1757 VanDerWaalsContact OH-NE2 3.09Å; W1713-H1757 AromaticContact CE3-NE2 3.64Å; W1713-H1757 AromaticContact CZ3-CE1 3.96Å; W1713-H1757 AromaticContact CZ3-NE2 3.5Å; W1713-H1757 WeakPolarHBondContact CZ3-NE2 3.27Å; L1739-H1757 CarbonylContact C-O 3.57Å; R1740-H1757 HydrophobicContact CB-CB 4.25Å; R1740-H1757 PolarHBondContact N-O 2.78Å; R1740-H1757 PolarHBondContact NH1-CE1 2.79Å; R1740-H1757 PolarHBondContact NH1-ND1 3.13Å; R1740-H1757 PolarHBondContact O-N 2.91Å; I1742-H1757 HydrophobicContact CD1-CB 3.72Å; I1742-H1757 HydrophobicContact CG1-CB 4.34Å |
| 1758 | L | 96.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.6 | -176.9 | -60.4 | 103.2 | 0 | 0 | 0 | 110.6 | T1694 I1695 V1696 M1697 L1739 R1756 F1778 V1782 V1785 | T1694-L1758 HydrophobicContact CG2-CD1 3.52Å; I1695-L1758 PolarHBondContact O-N 2.78Å; V1696-L1758 CarbonylContact C-O 3.54Å; V1696-L1758 WeakPolarHBondContact CA-O 3.4Å; M1697-L1758 PolarHBondContact N-O 2.81Å; L1739-L1758 HydrophobicContact CD1-CD1 4.47Å; L1739-L1758 HydrophobicContact CD1-CD2 4.2Å; L1739-L1758 HydrophobicContact CD1-CG 3.88Å; R1756-L1758 HydrophobicContact CB-CD1 4.21Å; R1756-L1758 WeakPolarHBondContact O-CD1 2.95Å; L1758-F1778 HydrophobicContact CB-CE2 3.79Å; L1758-F1778 HydrophobicContact CB-CZ 3.91Å; L1758-V1782 HydrophobicContact CB-CG2 4.25Å; L1758-V1782 HydrophobicContact CD1-CG2 4.45Å; L1758-V1782 HydrophobicContact CD2-CG2 3.99Å; L1758-V1782 HydrophobicContact CG-CG2 4.47Å; L1758-V1785 HydrophobicContact CD1-CG2 3.83Å; L1758-V1785 HydrophobicContact CD2-CG2 3.99Å; L1758-V1785 HydrophobicContact CG-CG2 4.49Å |
| 1759 | Q | 96.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.2 | -178.6 | -177.2 | 172.3 | 14 | 0 | 0 | 111.4 | M1697 T1699 Y1737 T1738 R1740 T1761 | M1697-Q1759 HydrophobicContact CB-CB 4.16Å; M1697-Q1759 HydrophobicContact CB-CG 4.16Å; M1697-Q1759 HydrophobicContact CG-CB 4.41Å; M1697-Q1759 HydrophobicContact CG-CG 3.88Å; M1697-Q1759 CarbonylContact O-C 3.55Å; M1697-Q1759 WeakPolarHBondContact O-CA 3.25Å; M1697-Q1759 HydrophobicContact SD-CB 4.36Å; M1697-Q1759 VanDerWaalsContact SD-CD 3.53Å; M1697-Q1759 HydrophobicContact SD-CG 3.81Å; M1697-Q1759 PolarHBondContact SD-NE2 2.88Å; M1697-Q1759 VanDerWaalsContact SD-NE2 3.44Å; T1699-Q1759 PolarHBondContact O-NE2 2.82Å; Y1737-Q1759 CarbonylContact C-O 3.52Å; Y1737-Q1759 WeakPolarHBondContact CA-O 3.29Å; Y1737-Q1759 WeakPolarHBondContact CB-O 3.22Å; T1738-Q1759 PolarHBondContact N-O 2.68Å; T1738-Q1759 PolarHBondContact O-N 2.93Å; R1740-Q1759 VanDerWaalsContact CZ-OE1 3.32Å; Q1759-T1761 HydrophobicContact CG-CG2 4.08Å; Q1759-T1761 PolarHBondContact O-N 2.79Å |
| 1760 | F | 96 | Very high | 89 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 114.4 | 172.6 | -171 | -114.8 | 0 | 0 | 0 | 110.1 | M1697 L1698 Y1736 A1762 W1763 P1769 F1775 F1778 | M1697-F1760 PolarHBondContact O-N 2.89Å; L1698-F1760 HydrophobicContact CD2-CB 3.8Å; L1698-F1760 HydrophobicContact CD2-CG 4.43Å; Y1736-F1760 WeakPolarHBondContact O-CD2 3.49Å; F1760-A1762 HydrophobicContact CE1-CB 4.24Å; F1760-A1762 HydrophobicContact CE2-CB 4Å; F1760-A1762 HydrophobicContact CZ-CB 3.78Å; F1760-W1763 HydrophobicContact CD1-CB 3.96Å; F1760-W1763 HydrophobicContact CD1-CE3 4.19Å; F1760-W1763 HydrophobicContact CE1-CB 3.94Å; F1760-W1763 HydrophobicContact CE1-CE3 4.1Å; F1760-P1769 HydrophobicContact CE1-CG 4.24Å; F1760-F1775 HydrophobicContact CD1-CD2 4.22Å; F1760-F1775 AromaticContact CE1-CD2 3.89Å; F1760-F1775 HydrophobicContact CE1-CD2 3.89Å; F1760-F1775 HydrophobicContact CE2-CB 4.42Å; F1760-F1775 HydrophobicContact CE2-CD2 4.45Å; F1760-F1775 HydrophobicContact CZ-CB 3.96Å; F1760-F1775 HydrophobicContact CZ-CD2 4.01Å; F1760-F1778 HydrophobicContact CB-CD1 4.06Å; F1760-F1778 HydrophobicContact CB-CD2 4.24Å; F1760-F1778 HydrophobicContact CB-CE1 3.84Å; F1760-F1778 HydrophobicContact CB-CE2 4Å; F1760-F1778 HydrophobicContact CB-CG 4.25Å; F1760-F1778 HydrophobicContact CB-CZ 3.8Å; F1760-F1778 HydrophobicContact CD2-CB 3.75Å; F1760-F1778 HydrophobicContact CD2-CD1 4.01Å; F1760-F1778 AromaticContact CD2-CD2 3.98Å; F1760-F1778 HydrophobicContact CD2-CD2 3.98Å; F1760-F1778 AromaticContact CD2-CG 3.64Å; F1760-F1778 HydrophobicContact CD2-CG 3.64Å; F1760-F1778 HydrophobicContact CE2-CB 4.03Å; F1760-F1778 HydrophobicContact CE2-CG 4.4Å; F1760-F1778 HydrophobicContact CG-CD1 4.25Å; F1760-F1778 HydrophobicContact CG-CG 4.29Å |
| 1761 | T | 91.5 | Very high | 88.8 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | trans | -101.8 | -10.6 | -174 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | K1700 Y1736 Y1737 Q1759 | K1700-T1761 VanDerWaalsContact CE-O 3.27Å; K1700-T1761 WeakPolarHBondContact CE-O 3.43Å; Y1736-T1761 VanDerWaalsContact C-OG1 3.23Å; Y1736-T1761 PolarHBondContact O-N 2.85Å; Y1736-T1761 PolarHBondContact O-OG1 3.11Å; Y1737-T1761 PolarHBondContact N-OG1 2.73Å; Q1759-T1761 HydrophobicContact CG-CG2 4.08Å; Q1759-T1761 PolarHBondContact O-N 2.79Å | ||
| 1762 | A | 89.3 | Confident | 88.7 | Confident | 18 Ų | 18 | 38 Ų | 38 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | trans | -87.2 | -5.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1736 F1760 | Y1736-A1762 HydrophobicContact CD1-CB 3.86Å; Y1736-A1762 HydrophobicContact CG-CB 4.29Å; Y1736-A1762 PolarHBondContact O-N 3.29Å; F1760-A1762 HydrophobicContact CE1-CB 4.24Å; F1760-A1762 HydrophobicContact CE2-CB 4Å; F1760-A1762 HydrophobicContact CZ-CB 3.78Å | ||
| 1763 | W | 90.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -65.3 | 128.9 | 172.6 | -154.3 | -59.7 | 0 | 0 | 0 | 109.6 | F1760 G1767 V1768 P1769 F1775 R1803 A1806 Q1845 F1848 | F1760-W1763 HydrophobicContact CD1-CB 3.96Å; F1760-W1763 HydrophobicContact CD1-CE3 4.19Å; F1760-W1763 HydrophobicContact CE1-CB 3.94Å; F1760-W1763 HydrophobicContact CE1-CE3 4.1Å; W1763-G1767 PolarHBondContact NE1-O 2.78Å; W1763-V1768 HydrophobicContact CZ2-CB 4.41Å; W1763-V1768 HydrophobicContact CZ2-CG1 4.01Å; W1763-P1769 HydrophobicContact CD2-CG 4.14Å; W1763-P1769 HydrophobicContact CE3-CG 4.3Å; W1763-P1769 HydrophobicContact CG-CG 4.36Å; W1763-F1775 HydrophobicContact CE3-CD2 4.42Å; W1763-F1775 HydrophobicContact CE3-CE2 4.19Å; W1763-F1775 HydrophobicContact CZ3-CD2 4.19Å; W1763-F1775 AromaticContact CZ3-CE2 3.67Å; W1763-F1775 HydrophobicContact CZ3-CE2 3.67Å; W1763-F1775 HydrophobicContact CZ3-CZ 4.16Å; W1763-R1803 HydrophobicContact CD2-CG 3.84Å; W1763-R1803 HydrophobicContact CE3-CB 4.27Å; W1763-R1803 HydrophobicContact CE3-CG 4.04Å; W1763-R1803 VanDerWaalsContact CG-NE 3.26Å; W1763-R1803 HydrophobicContact CH2-CB 4.14Å; W1763-R1803 HydrophobicContact CH2-CG 3.96Å; W1763-R1803 HydrophobicContact CZ2-CB 4.41Å; W1763-R1803 HydrophobicContact CZ2-CG 3.72Å; W1763-R1803 HydrophobicContact CZ3-CB 4.05Å; W1763-R1803 HydrophobicContact CZ3-CG 4.1Å; W1763-A1806 HydrophobicContact CH2-CB 3.92Å; W1763-Q1845 HydrophobicContact CZ2-CG 4.34Å; W1763-F1848 HydrophobicContact CH2-CD1 4.19Å; W1763-F1848 HydrophobicContact CH2-CE1 4.2Å; W1763-F1848 HydrophobicContact CZ3-CE1 4.37Å |
| 1764 | P | 84 | Confident | 88.3 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | trans | -68.8 | 156 | 179.3 | 26.9 | -34.6 | 0 | 0 | 0 | 112.6 | H1766 V1768 R1803 | P1764-H1766 WeakPolarHBondContact CB-O 3.29Å; P1764-H1766 WeakPolarHBondContact CG-O 3.38Å; P1764-H1766 PolarHBondContact O-N 2.86Å; P1764-H1766 VanDerWaalsContact O-N 3.11Å; P1764-V1768 VanDerWaalsContact CG-O 3.28Å; P1764-V1768 WeakPolarHBondContact CG-O 3.44Å; P1764-R1803 PolarHBondContact O-NH2 2.98Å; P1764-R1803 VanDerWaalsContact O-NH2 3.1Å | ||
| 1765 | D | 73.1 | Confident | 88.2 | Confident | 47 Ų | 47 | 28 Ų | 28 | 25% | 0.251 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -65.8 | -19 | -175.1 | -47.2 | -39.9 | 0 | 0 | 0 | 112.9 | K1700 E1703 R1704 | K1700-D1765 IonicContact NZ-OD1 3.75Å; K1700-D1765 PolarHBondContact NZ-OD1 2.78Å; E1703-D1765 HydrophobicContact CB-CB 4.04Å; R1704-D1765 HydrophobicContact CG-CB 3.77Å; R1704-D1765 IonicContact NE-OD2 3.44Å |
| 1766 | H | 68.9 | Low | 88 | Confident | 127 Ų | 127 | 28.7 Ų | 28.7 | 59% | 0.588 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -138.1 | 150.9 | 171.2 | -70.8 | -116.5 | 0 | 0 | 0 | 108.9 | R1704 P1764 | R1704-H1766 PolarHBondContact NH1-CD2 2.77Å; R1704-H1766 PolarHBondContact NH1-NE2 2.86Å; P1764-H1766 WeakPolarHBondContact CB-O 3.29Å; P1764-H1766 WeakPolarHBondContact CG-O 3.38Å; P1764-H1766 PolarHBondContact O-N 2.86Å; P1764-H1766 VanDerWaalsContact O-N 3.11Å |
| 1767 | G | 83.4 | Confident | 87.6 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 27% | 0.268 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 72.6 | -150.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1763 | W1763-G1767 PolarHBondContact NE1-O 2.78Š|
| 1768 | V | 89.5 | Confident | 87.4 | Confident | 37 Ų | 37 | 26.8 Ų | 26.8 | 22% | 0.224 | 15% | 0.15 | C | C | . | . | trans | -124.5 | 159.7 | -177.1 | -62 | 0 | 0 | 0 | 0 | 110.5 | W1763 P1764 E1770 E1844 Q1845 F1848 | W1763-V1768 HydrophobicContact CZ2-CB 4.41Å; W1763-V1768 HydrophobicContact CZ2-CG1 4.01Å; P1764-V1768 VanDerWaalsContact CG-O 3.28Å; P1764-V1768 WeakPolarHBondContact CG-O 3.44Å; V1768-E1770 PolarHBondContact O-N 2.87Å; V1768-E1844 HydrophobicContact CG1-CB 4.01Å; V1768-E1844 WeakPolarHBondContact CG1-O 3.32Å; V1768-Q1845 HydrophobicContact CG1-CG 4.13Å; V1768-F1848 HydrophobicContact CB-CB 3.91Å; V1768-F1848 HydrophobicContact CB-CD2 3.9Å; V1768-F1848 HydrophobicContact CB-CG 3.93Å; V1768-F1848 HydrophobicContact CG1-CB 3.88Å; V1768-F1848 HydrophobicContact CG1-CG 4.28Å; V1768-F1848 HydrophobicContact CG2-CB 4.04Å; V1768-F1848 HydrophobicContact CG2-CD2 4.06Å; V1768-F1848 HydrophobicContact CG2-CG 4.33Å | ||
| 1769 | P | 87.3 | Confident | 87.3 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | trans | -53.6 | 135 | 176.3 | -23.9 | 33.1 | 0 | 0 | 0 | 111.9 | F1760 W1763 H1771 F1848 | F1760-P1769 HydrophobicContact CE1-CG 4.24Å; W1763-P1769 HydrophobicContact CD2-CG 4.14Å; W1763-P1769 HydrophobicContact CE3-CG 4.3Å; W1763-P1769 HydrophobicContact CG-CG 4.36Å; P1769-H1771 PolarHBondContact O-N 2.86Å; P1769-F1848 HydrophobicContact CB-CE2 3.86Å; P1769-F1848 HydrophobicContact CB-CZ 4.14Å; P1769-F1848 HydrophobicContact CG-CE2 3.89Å; P1769-F1848 HydrophobicContact CG-CZ 3.78Å | ||
| 1770 | E | 76.9 | Confident | 86.8 | Confident | 108 Ų | 108 | 29.5 Ų | 29.5 | 51% | 0.505 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -57.5 | -20.2 | -174.5 | -72.5 | -177 | -163.2 | 0 | 0 | 114 | V1768 N1902 S1927 | V1768-E1770 PolarHBondContact O-N 2.87Å; E1770-N1902 HydrophobicContact CB-CB 4.3Å; E1770-N1902 HydrophobicContact CG-CB 4.27Å; E1770-N1902 PolarHBondContact O-ND2 2.75Å; E1770-S1927 WeakPolarHBondContact OE1-CB 3.44Å; E1770-S1927 WeakPolarHBondContact OE2-CB 3.23Å; E1770-S1927 PolarHBondContact OE2-OG 2.79Å |
| 1771 | H | 82.9 | Confident | 86.4 | Confident | 31 Ų | 31 | 30.8 Ų | 30.8 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -156.7 | 136.5 | 174.7 | 178 | 61.4 | 0 | 0 | 0 | 110.3 | P1769 T1773 D1855 F1900 K2121 | P1769-H1771 PolarHBondContact O-N 2.86Å; H1771-T1773 PolarHBondContact NE2-OG1 2.95Å; H1771-T1773 PolarHBondContact O-N 2.84Å; H1771-D1855 IonicContact CE1-OD1 2.72Å; H1771-D1855 PolarHBondContact CE1-OD1 2.83Å; H1771-D1855 IonicContact CE1-OD2 3.73Å; H1771-D1855 IonicContact NE2-OD1 3.2Å; H1771-D1855 IonicContact NE2-OD2 3.31Å; H1771-F1900 HydrophobicContact CB-CD1 4.44Å; H1771-F1900 AromaticContact CD2-CE1 3.81Å; H1771-F1900 AromaticContact CE1-CE1 3.77Å; H1771-F1900 AromaticContact CG-CD1 3.89Å; H1771-F1900 AromaticContact ND1-CD1 3.83Å; H1771-F1900 AromaticContact NE2-CE1 3.6Å; H1771-K2121 WeakPolarHBondContact NE2-CE 3.45Å |
| 1772 | P | 89.8 | Confident | 86.4 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -18.2 | -171.4 | 24.8 | -36.9 | 0 | 0 | 0 | 117.3 | A1774 F1775 L1776 F1848 D1851 A1852 D1855 | P1772-A1774 VanDerWaalsContact C-N 3.28Å; P1772-A1774 PolarHBondContact O-N 3.01Å; P1772-A1774 VanDerWaalsContact O-N 3.08Å; P1772-F1775 WeakPolarHBondContact O-CA 3.5Å; P1772-F1775 VanDerWaalsContact O-CB 3.3Å; P1772-F1775 WeakPolarHBondContact O-CB 3.46Å; P1772-F1775 PolarHBondContact O-N 2.81Å; P1772-L1776 PolarHBondContact O-N 3.45Å; P1772-F1848 HydrophobicContact CB-CE2 3.85Å; P1772-F1848 HydrophobicContact CB-CZ 3.96Å; P1772-D1851 HydrophobicContact CG-CB 4.48Å; P1772-A1852 HydrophobicContact CB-CB 3.66Å; P1772-A1852 HydrophobicContact CG-CB 4.38Å; P1772-D1855 HydrophobicContact CG-CB 3.58Å |
| 1773 | T | 88.1 | Confident | 86.4 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -50.8 | -40.5 | -173.9 | -76.6 | 0 | 0 | 0 | 0 | 114.5 | H1771 F1775 L1776 M1777 D1855 T2118 K2121 L2122 | H1771-T1773 PolarHBondContact NE2-OG1 2.95Å; H1771-T1773 PolarHBondContact O-N 2.84Å; T1773-F1775 VanDerWaalsContact C-N 3.28Å; T1773-F1775 PolarHBondContact O-N 2.8Å; T1773-L1776 PolarHBondContact O-N 3.12Å; T1773-M1777 WeakPolarHBondContact O-CG 3.3Å; T1773-M1777 PolarHBondContact O-N 2.78Å; T1773-D1855 PolarHBondContact OG1-OD2 2.62Å; T1773-T2118 HydrophobicContact CG2-CG2 3.53Å; T1773-K2121 HydrophobicContact CG2-CD 4.44Å; T1773-K2121 WeakPolarHBondContact OG1-CD 3.4Å; T1773-K2121 VanDerWaalsContact OG1-CE 3.27Å; T1773-K2121 WeakPolarHBondContact OG1-CE 3.45Å; T1773-K2121 PolarHBondContact OG1-NZ 2.83Å; T1773-L2122 HydrophobicContact CG2-CD1 4.43Å; T1773-L2122 HydrophobicContact CG2-CD2 3.79Å; T1773-L2122 HydrophobicContact CG2-CG 3.78Å |
| 1774 | A | 87.6 | Confident | 86.1 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -28.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1736 P1772 F1778 L2122 | Y1736-A1774 HydrophobicContact CD1-CB 4.05Å; Y1736-A1774 HydrophobicContact CD2-CB 4.02Å; Y1736-A1774 HydrophobicContact CE1-CB 4.33Å; Y1736-A1774 HydrophobicContact CE2-CB 4.31Å; Y1736-A1774 HydrophobicContact CG-CB 3.88Å; P1772-A1774 VanDerWaalsContact C-N 3.28Å; P1772-A1774 PolarHBondContact O-N 3.01Å; P1772-A1774 VanDerWaalsContact O-N 3.08Å; A1774-F1778 PolarHBondContact O-N 3.26Å; A1774-L2122 HydrophobicContact CB-CD2 4.29Å |
| 1775 | F | 92.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -78.7 | -37.9 | 174.7 | -178.6 | -103.2 | 0 | 0 | 0 | 111.5 | L1698 F1760 W1763 P1772 T1773 F1778 L1779 L1807 V1810 F1848 | L1698-F1775 HydrophobicContact CD2-CE2 4.12Å; F1760-F1775 HydrophobicContact CD1-CD2 4.22Å; F1760-F1775 AromaticContact CE1-CD2 3.89Å; F1760-F1775 HydrophobicContact CE1-CD2 3.89Å; F1760-F1775 HydrophobicContact CE2-CB 4.42Å; F1760-F1775 HydrophobicContact CE2-CD2 4.45Å; F1760-F1775 HydrophobicContact CZ-CB 3.96Å; F1760-F1775 HydrophobicContact CZ-CD2 4.01Å; W1763-F1775 HydrophobicContact CE3-CD2 4.42Å; W1763-F1775 HydrophobicContact CE3-CE2 4.19Å; W1763-F1775 HydrophobicContact CZ3-CD2 4.19Å; W1763-F1775 AromaticContact CZ3-CE2 3.67Å; W1763-F1775 HydrophobicContact CZ3-CE2 3.67Å; W1763-F1775 HydrophobicContact CZ3-CZ 4.16Å; P1772-F1775 WeakPolarHBondContact O-CA 3.5Å; P1772-F1775 VanDerWaalsContact O-CB 3.3Å; P1772-F1775 WeakPolarHBondContact O-CB 3.46Å; P1772-F1775 PolarHBondContact O-N 2.81Å; T1773-F1775 VanDerWaalsContact C-N 3.28Å; T1773-F1775 PolarHBondContact O-N 2.8Å; F1775-F1778 WeakPolarHBondContact O-CB 3.41Å; F1775-F1778 PolarHBondContact O-N 3.45Å; F1775-L1779 PolarHBondContact O-N 2.92Å; F1775-L1807 HydrophobicContact CE2-CB 4.37Å; F1775-L1807 HydrophobicContact CE2-CD1 4.34Å; F1775-L1807 HydrophobicContact CZ-CB 3.76Å; F1775-L1807 HydrophobicContact CZ-CD1 4.3Å; F1775-L1807 HydrophobicContact CZ-CG 4.26Å; F1775-V1810 HydrophobicContact CE1-CB 4.45Å; F1775-V1810 HydrophobicContact CE1-CG2 4.34Å; F1775-F1848 HydrophobicContact CB-CZ 3.99Å; F1775-F1848 AromaticContact CD1-CE1 3.76Å; F1775-F1848 HydrophobicContact CD1-CE1 3.76Å; F1775-F1848 HydrophobicContact CD1-CZ 4.02Å; F1775-F1848 AromaticContact CE1-CE1 3.96Å; F1775-F1848 HydrophobicContact CE1-CE1 3.96Å; F1775-F1848 HydrophobicContact CG-CE1 4.06Å; F1775-F1848 HydrophobicContact CG-CZ 4.03Å; F1775-F1848 HydrophobicContact CZ-CE1 4.42Å |
| 1776 | L | 91.7 | Very high | 86.9 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 172.9 | -66 | 174 | 0 | 0 | 0 | 112 | P1772 T1773 L1779 K1780 V1810 L1814 A1852 D1855 A1856 | P1772-L1776 PolarHBondContact O-N 3.45Å; T1773-L1776 PolarHBondContact O-N 3.12Å; L1776-L1779 PolarHBondContact O-N 3.48Å; L1776-K1780 WeakPolarHBondContact O-CG 3.31Å; L1776-K1780 PolarHBondContact O-N 2.92Å; L1776-V1810 HydrophobicContact CD2-CG1 4.02Å; L1776-L1814 HydrophobicContact CD2-CD1 4.16Å; L1776-A1852 HydrophobicContact CD2-CB 4.38Å; L1776-D1855 HydrophobicContact CD1-CB 4.07Å; L1776-A1856 HydrophobicContact CD1-CB 3.96Å; L1776-A1856 HydrophobicContact CD2-CB 4.17Å |
| 1777 | M | 87.5 | Confident | 87.5 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 171.7 | -74 | -172.9 | 74.7 | 0 | 0 | 112.3 | T1773 L1779 K1780 H1781 T2118 L2122 | T1773-M1777 WeakPolarHBondContact O-CG 3.3Å; T1773-M1777 PolarHBondContact O-N 2.78Å; M1777-L1779 VanDerWaalsContact C-N 3.31Å; M1777-L1779 PolarHBondContact O-N 2.69Å; M1777-K1780 PolarHBondContact O-N 2.76Å; M1777-H1781 PolarHBondContact O-N 3.42Å; M1777-H1781 VanDerWaalsContact O-N 3.11Å; M1777-T2118 HydrophobicContact CG-CG2 3.74Å; M1777-T2118 HydrophobicContact SD-CG2 3.51Å; M1777-T2118 VanDerWaalsContact SD-CG2 3.51Å; M1777-L2122 HydrophobicContact SD-CD1 3.52Å; M1777-L2122 VanDerWaalsContact SD-CD1 3.52Å |
| 1778 | F | 92 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 175.1 | 175.5 | -103.6 | 0 | 0 | 0 | 111.5 | V1696 L1698 Y1737 L1758 F1760 A1774 F1775 H1781 V1782 L1807 | V1696-F1778 HydrophobicContact CG1-CE1 3.7Å; V1696-F1778 HydrophobicContact CG1-CZ 3.86Å; L1698-F1778 HydrophobicContact CD2-CD1 4.39Å; L1698-F1778 HydrophobicContact CD2-CE1 3.71Å; L1698-F1778 HydrophobicContact CD2-CZ 4.45Å; Y1737-F1778 VanDerWaalsContact CB-CD2 3.46Å; Y1737-F1778 HydrophobicContact CD1-CD2 4.05Å; Y1737-F1778 AromaticContact CD2-CD2 3.98Å; Y1737-F1778 HydrophobicContact CD2-CD2 3.98Å; Y1737-F1778 HydrophobicContact CD2-CE2 4.25Å; Y1737-F1778 AromaticContact CG-CD2 3.59Å; Y1737-F1778 HydrophobicContact CG-CD2 3.59Å; Y1737-F1778 HydrophobicContact CG-CE2 4.12Å; L1758-F1778 HydrophobicContact CB-CE2 3.79Å; L1758-F1778 HydrophobicContact CB-CZ 3.91Å; F1760-F1778 HydrophobicContact CB-CD1 4.06Å; F1760-F1778 HydrophobicContact CB-CD2 4.24Å; F1760-F1778 HydrophobicContact CB-CE1 3.84Å; F1760-F1778 HydrophobicContact CB-CE2 4Å; F1760-F1778 HydrophobicContact CB-CG 4.25Å; F1760-F1778 HydrophobicContact CB-CZ 3.8Å; F1760-F1778 HydrophobicContact CD2-CB 3.75Å; F1760-F1778 HydrophobicContact CD2-CD1 4.01Å; F1760-F1778 AromaticContact CD2-CD2 3.98Å; F1760-F1778 HydrophobicContact CD2-CD2 3.98Å; F1760-F1778 AromaticContact CD2-CG 3.64Å; F1760-F1778 HydrophobicContact CD2-CG 3.64Å; F1760-F1778 HydrophobicContact CE2-CB 4.03Å; F1760-F1778 HydrophobicContact CE2-CG 4.4Å; F1760-F1778 HydrophobicContact CG-CD1 4.25Å; F1760-F1778 HydrophobicContact CG-CG 4.29Å; A1774-F1778 PolarHBondContact O-N 3.26Å; F1775-F1778 WeakPolarHBondContact O-CB 3.41Å; F1775-F1778 PolarHBondContact O-N 3.45Å; F1778-H1781 PolarHBondContact O-N 3.46Å; F1778-V1782 HydrophobicContact CD1-CG2 4.19Å; F1778-V1782 HydrophobicContact CE1-CG2 3.8Å; F1778-V1782 HydrophobicContact CE2-CG2 4.29Å; F1778-V1782 HydrophobicContact CZ-CG2 3.87Å; F1778-V1782 WeakPolarHBondContact O-CG2 3.23Å; F1778-V1782 PolarHBondContact O-N 2.87Å; F1778-L1807 HydrophobicContact CD1-CD1 4.23Å; F1778-L1807 HydrophobicContact CE1-CD1 3.93Å |
| 1779 | L | 93.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 179.4 | -169.8 | 54.5 | 0 | 0 | 0 | 113 | F1775 L1776 M1777 H1781 V1782 K1783 L1807 V1810 D1811 L1814 | F1775-L1779 PolarHBondContact O-N 2.92Å; L1776-L1779 PolarHBondContact O-N 3.48Å; M1777-L1779 VanDerWaalsContact C-N 3.31Å; M1777-L1779 PolarHBondContact O-N 2.69Å; L1779-H1781 VanDerWaalsContact C-N 3.27Å; L1779-H1781 PolarHBondContact O-N 3.39Å; L1779-V1782 PolarHBondContact O-N 2.83Å; L1779-K1783 PolarHBondContact O-N 3.27Å; L1779-L1807 HydrophobicContact CD1-CD1 3.99Å; L1779-L1807 HydrophobicContact CD1-CD2 3.99Å; L1779-L1807 HydrophobicContact CD1-CG 3.84Å; L1779-V1810 HydrophobicContact CD2-CB 4.33Å; L1779-V1810 HydrophobicContact CD2-CG1 3.79Å; L1779-D1811 HydrophobicContact CD1-CB 4.13Å; L1779-D1811 VanDerWaalsContact CD1-OD1 3.31Å; L1779-D1811 WeakPolarHBondContact CD1-OD1 3.22Å; L1779-D1811 HydrophobicContact CD2-CB 4.04Å; L1779-D1811 WeakPolarHBondContact CG-OD1 3.27Å; L1779-L1814 HydrophobicContact CD2-CD1 3.86Å |
| 1780 | K | 87.5 | Confident | 86.7 | Confident | 65 Ų | 65 | 44 Ų | 44 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -53.4 | -45.8 | 169.5 | -74.5 | -179.4 | -179.5 | -178.7 | 0 | 111 | L1776 M1777 K1783 S1784 D2115 | L1776-K1780 WeakPolarHBondContact O-CG 3.31Å; L1776-K1780 PolarHBondContact O-N 2.92Å; M1777-K1780 PolarHBondContact O-N 2.76Å; K1780-K1783 PolarHBondContact O-N 2.94Å; K1780-S1784 PolarHBondContact O-N 2.89Å; K1780-S1784 PolarHBondContact O-OG 2.8Å; K1780-D2115 IonicContact NZ-OD2 3.25Å; K1780-D2115 PolarHBondContact NZ-OD2 3Å |
| 1781 | H | 87.1 | Confident | 87.5 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 13% | 0.13 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -34.8 | 179.6 | -164.4 | 98.3 | 0 | 0 | 0 | 112.7 | Y1737 M1777 F1778 L1779 S1784 V1785 E2111 | Y1737-H1781 AromaticContact CE2-CD2 3.81Å; Y1737-H1781 PolarHBondContact OH-ND1 2.74Å; M1777-H1781 PolarHBondContact O-N 3.42Å; M1777-H1781 VanDerWaalsContact O-N 3.11Å; F1778-H1781 PolarHBondContact O-N 3.46Å; L1779-H1781 VanDerWaalsContact C-N 3.27Å; L1779-H1781 PolarHBondContact O-N 3.39Å; H1781-S1784 PolarHBondContact O-N 2.91Å; H1781-S1784 PolarHBondContact O-OG 3.16Å; H1781-V1785 WeakPolarHBondContact O-CG1 3.19Å; H1781-V1785 WeakPolarHBondContact O-CG2 3.32Å; H1781-V1785 PolarHBondContact O-N 2.85Å; H1781-E2111 IonicContact ND1-OE1 3.4Å |
| 1782 | V | 92.5 | Very high | 88.1 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 170.6 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | V1696 L1758 F1778 L1779 N1786 | V1696-V1782 HydrophobicContact CG1-CG2 4.28Å; V1696-V1782 HydrophobicContact CG2-CG1 3.72Å; V1696-V1782 HydrophobicContact CG2-CG2 4.02Å; L1758-V1782 HydrophobicContact CB-CG2 4.25Å; L1758-V1782 HydrophobicContact CD1-CG2 4.45Å; L1758-V1782 HydrophobicContact CD2-CG2 3.99Å; L1758-V1782 HydrophobicContact CG-CG2 4.47Å; F1778-V1782 HydrophobicContact CD1-CG2 4.19Å; F1778-V1782 HydrophobicContact CE1-CG2 3.8Å; F1778-V1782 HydrophobicContact CE2-CG2 4.29Å; F1778-V1782 HydrophobicContact CZ-CG2 3.87Å; F1778-V1782 WeakPolarHBondContact O-CG2 3.23Å; F1778-V1782 PolarHBondContact O-N 2.87Å; L1779-V1782 PolarHBondContact O-N 2.83Å; V1782-N1786 WeakPolarHBondContact O-CB 3.37Å; V1782-N1786 PolarHBondContact O-N 2.81Å |
| 1783 | K | 89.1 | Confident | 88.5 | Confident | 67 Ų | 67 | 38.9 Ų | 38.9 | 29% | 0.291 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 174.8 | -77 | -81.8 | -177.3 | -170.2 | 0 | 112.1 | L1779 K1780 V1785 N1786 D1811 D1815 | L1779-K1783 PolarHBondContact O-N 3.27Å; K1780-K1783 PolarHBondContact O-N 2.94Å; K1783-V1785 VanDerWaalsContact C-N 3.32Å; K1783-V1785 PolarHBondContact O-N 2.79Å; K1783-N1786 PolarHBondContact O-N 3.24Å; K1783-D1811 WeakPolarHBondContact CE-OD1 3.4Å; K1783-D1811 WeakPolarHBondContact CE-OD2 3.3Å; K1783-D1811 VanDerWaalsContact NZ-CG 3.34Å; K1783-D1811 IonicContact NZ-OD1 2.74Å; K1783-D1811 PolarHBondContact NZ-OD1 2.58Å; K1783-D1811 IonicContact NZ-OD2 3.15Å; K1783-D1811 PolarHBondContact NZ-OD2 2.79Å; K1783-D1815 IonicContact NZ-OD1 2.79Å; K1783-D1815 PolarHBondContact NZ-OD1 2.87Å; K1783-D1815 IonicContact NZ-OD2 3.86Å; K1783-D1815 PolarHBondContact NZ-OD2 2.84Å |
| 1784 | S | 83.4 | Confident | 89 | Confident | 91 Ų | 91 | 38.7 Ų | 38.7 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.8 | -30 | -173.1 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | K1780 H1781 | K1780-S1784 PolarHBondContact O-N 2.89Å; K1780-S1784 PolarHBondContact O-OG 2.8Å; H1781-S1784 PolarHBondContact O-N 2.91Å; H1781-S1784 PolarHBondContact O-OG 3.16Å |
| 1785 | V | 85 | Confident | 89.5 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -91.3 | -8 | 178.9 | -50.5 | 0 | 0 | 0 | 0 | 114.4 | R1756 L1758 H1781 K1783 | R1756-V1785 HydrophobicContact CB-CG2 4.3Å; R1756-V1785 WeakPolarHBondContact CD-O 3.37Å; R1756-V1785 PolarHBondContact NH1-O 3.11Å; L1758-V1785 HydrophobicContact CD1-CG2 3.83Å; L1758-V1785 HydrophobicContact CD2-CG2 3.99Å; L1758-V1785 HydrophobicContact CG-CG2 4.49Å; H1781-V1785 WeakPolarHBondContact O-CG1 3.19Å; H1781-V1785 WeakPolarHBondContact O-CG2 3.32Å; H1781-V1785 PolarHBondContact O-N 2.85Å; K1783-V1785 VanDerWaalsContact C-N 3.32Å; K1783-V1785 PolarHBondContact O-N 2.79Å |
| 1786 | N | 88.8 | Confident | 89.8 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -90.3 | 109.3 | 177.5 | -176.4 | 76 | 0 | 0 | 0 | 111.3 | T1694 V1782 K1783 I1793 | T1694-N1786 VanDerWaalsContact CB-OD1 3.28Å; T1694-N1786 WeakPolarHBondContact CB-OD1 3.39Å; T1694-N1786 HydrophobicContact CG2-CB 4.41Å; T1694-N1786 WeakPolarHBondContact OG1-CB 3.32Å; T1694-N1786 PolarHBondContact OG1-OD1 2.8Å; V1782-N1786 WeakPolarHBondContact O-CB 3.37Å; V1782-N1786 PolarHBondContact O-N 2.81Å; K1783-N1786 PolarHBondContact O-N 3.24Å; N1786-I1793 HydrophobicContact CB-CD1 4.2Å |
| 1787 | L | 81.4 | Confident | 89.9 | Confident | 98 Ų | 98 | 37.8 Ų | 37.8 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | trans | -64 | 137.7 | -178.2 | -57.7 | 173 | 0 | 0 | 0 | 110.5 | E1789 S1790 | L1787-E1789 VanDerWaalsContact C-N 3.26Å; L1787-E1789 PolarHBondContact O-N 3.31Å; L1787-S1790 WeakPolarHBondContact O-CB 3.37Å; L1787-S1790 PolarHBondContact O-N 3.38Å; L1787-S1790 PolarHBondContact O-OG 2.79Å | ||
| 1788 | P | 76.5 | Confident | 90.3 | Very high | 110 Ų | 110 | 37.1 Ų | 37.1 | 71% | 0.714 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -38 | -175.9 | -29.2 | 36 | 0 | 0 | 0 | 114.6 | S1790 | P1788-S1790 PolarHBondContact O-N 2.76Š|
| 1789 | E | 79.9 | Confident | 90.4 | Very high | 199 Ų | 199 | 37.6 Ų | 37.6 | 93% | 0.93 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1 | 179.9 | -59.2 | 179.1 | -178 | 0 | 0 | 114.2 | L1787 | L1787-E1789 VanDerWaalsContact C-N 3.26Å; L1787-E1789 PolarHBondContact O-N 3.31Å |
| 1790 | S | 87.3 | Confident | 90.5 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | trans | -68.9 | 152.9 | 178.2 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | R1665 A1693 L1787 P1788 | R1665-S1790 PolarHBondContact NH2-O 2.82Å; A1693-S1790 VanDerWaalsContact CB-OG 3.32Å; A1693-S1790 WeakPolarHBondContact CB-OG 3.49Å; L1787-S1790 WeakPolarHBondContact O-CB 3.37Å; L1787-S1790 PolarHBondContact O-N 3.38Å; L1787-S1790 PolarHBondContact O-OG 2.79Å; P1788-S1790 PolarHBondContact O-N 2.76Å | ||
| 1791 | G | 92.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | trans | -62.7 | -177.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1690 K1691 | E1690-G1791 WeakPolarHBondContact O-CA 3.32Å; K1691-G1791 PolarHBondContact O-N 2.89Å; K1691-G1791 VanDerWaalsContact O-N 3.09Å | ||
| 1792 | P | 96.7 | Very high | 91.2 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | trans | -52.9 | 142.2 | -177.4 | 18.8 | -32.2 | 0 | 0 | 0 | 113.2 | Y1659 K1667 A1668 I1670 E1690 S1692 V1794 | Y1659-P1792 HydrophobicContact CE1-CG 4.42Å; K1667-P1792 WeakPolarHBondContact O-CB 3.28Å; A1668-P1792 WeakPolarHBondContact O-CA 3.33Å; I1670-P1792 HydrophobicContact CD1-CB 4.06Å; I1670-P1792 HydrophobicContact CD1-CG 3.47Å; I1670-P1792 VanDerWaalsContact CD1-CG 3.47Å; I1670-P1792 HydrophobicContact CG1-CB 3.86Å; I1670-P1792 HydrophobicContact CG1-CG 3.8Å; E1690-P1792 HydrophobicContact CB-CG 4.2Å; S1692-P1792 VanDerWaalsContact CB-O 3.23Å; S1692-P1792 WeakPolarHBondContact CB-O 3.47Å; S1692-P1792 PolarHBondContact OG-O 2.95Å; P1792-V1794 PolarHBondContact O-N 2.71Å | ||
| 1793 | I | 97.8 | Very high | 91.4 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.9 | 171.6 | -57.7 | 178 | 0 | 0 | 0 | 108.3 | A1668 Y1669 I1670 T1694 V1696 N1786 V1795 | A1668-I1793 PolarHBondContact O-N 3.2Å; Y1669-I1793 CarbonylContact C-O 3.55Å; Y1669-I1793 VanDerWaalsContact CA-O 3.28Å; Y1669-I1793 WeakPolarHBondContact CA-O 3.25Å; Y1669-I1793 HydrophobicContact CD1-CB 4.15Å; I1670-I1793 PolarHBondContact N-O 3.01Å; T1694-I1793 HydrophobicContact CG2-CG2 4.19Å; V1696-I1793 HydrophobicContact CB-CG2 4.48Å; V1696-I1793 HydrophobicContact CG2-CG2 3.5Å; N1786-I1793 HydrophobicContact CB-CD1 4.2Å; I1793-V1795 HydrophobicContact CG2-CG2 3.92Å; I1793-V1795 PolarHBondContact O-N 2.93Å |
| 1794 | V | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 103.3 | -179.5 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | I1670 T1672 F1683 M1686 V1687 S1692 T1694 I1695 V1696 P1792 | I1670-V1794 HydrophobicContact CB-CG2 4.34Å; I1670-V1794 HydrophobicContact CD1-CG2 4.46Å; T1672-V1794 HydrophobicContact CG2-CG1 3.65Å; F1683-V1794 HydrophobicContact CE2-CG1 3.68Å; F1683-V1794 HydrophobicContact CZ-CG1 4.02Å; M1686-V1794 HydrophobicContact CE-CG1 3.73Å; M1686-V1794 HydrophobicContact CE-CG2 4.04Å; V1687-V1794 HydrophobicContact CG2-CG2 4.34Å; S1692-V1794 WeakPolarHBondContact OG-CG2 3.02Å; T1694-V1794 PolarHBondContact O-N 2.88Å; I1695-V1794 CarbonylContact C-O 3.53Å; I1695-V1794 WeakPolarHBondContact CA-O 3.08Å; I1695-V1794 HydrophobicContact CG1-CB 4.34Å; V1696-V1794 PolarHBondContact N-O 3.48Å; P1792-V1794 PolarHBondContact O-N 2.71Å |
| 1795 | V | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.2 | -176.8 | -170.2 | 0 | 0 | 0 | 0 | 110 | Y1669 I1670 T1672 V1696 L1698 I1793 T1804 L1807 I1808 | Y1669-V1795 HydrophobicContact CD1-CG2 4.14Å; I1670-V1795 PolarHBondContact O-N 2.73Å; T1672-V1795 PolarHBondContact N-O 3.42Å; V1696-V1795 HydrophobicContact CB-CB 4.5Å; V1696-V1795 HydrophobicContact CB-CG1 4.31Å; V1696-V1795 HydrophobicContact CB-CG2 4.24Å; V1696-V1795 HydrophobicContact CG1-CG1 4.32Å; L1698-V1795 HydrophobicContact CD1-CG1 3.86Å; I1793-V1795 HydrophobicContact CG2-CG2 3.92Å; I1793-V1795 PolarHBondContact O-N 2.93Å; V1795-T1804 HydrophobicContact CB-CG2 4.09Å; V1795-T1804 HydrophobicContact CG1-CG2 3.9Å; V1795-T1804 WeakPolarHBondContact O-CG2 3.45Å; V1795-L1807 HydrophobicContact CG1-CD2 4.17Å; V1795-L1807 HydrophobicContact CG2-CD2 4.21Å; V1795-I1808 HydrophobicContact CB-CD1 4.27Å; V1795-I1808 HydrophobicContact CG2-CD1 4.38Å; V1795-I1808 HydrophobicContact CG2-CG1 4.29Å |
| 1796 | H | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 160 | -179.3 | 85.5 | 91 | 0 | 0 | 0 | 113.1 | T1672 G1674 V1696 M1697 L1698 C1709 Y1712 | T1672-H1796 HydrophobicContact CG2-CB 3.72Å; T1672-H1796 WeakPolarHBondContact O-CA 3.13Å; T1672-H1796 WeakPolarHBondContact O-CB 3.46Å; G1674-H1796 WeakPolarHBondContact CA-ND1 3.1Å; V1696-H1796 PolarHBondContact O-N 2.89Å; M1697-H1796 WeakPolarHBondContact CB-NE2 3.32Å; M1697-H1796 VanDerWaalsContact CG-CE1 3.43Å; M1697-H1796 WeakPolarHBondContact CG-CE1 3.31Å; M1697-H1796 WeakPolarHBondContact CG-NE2 3.49Å; L1698-H1796 PolarHBondContact N-O 2.83Å; C1709-H1796 VanDerWaalsContact SG-CE1 3.56Å; Y1712-H1796 AromaticContact CE1-CE1 3.73Å; Y1712-H1796 AromaticContact CE1-NE2 3.47Å; Y1712-H1796 WeakPolarHBondContact CE1-NE2 3.28Å; Y1712-H1796 AromaticContact CZ-NE2 3.56Å; Y1712-H1796 PolarHBondContact OH-CD2 2.83Å; Y1712-H1796 PolarHBondContact OH-NE2 3.3Å |
| 1797 | C | 94.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 5% | 0.054 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -134.1 | -116.7 | 167 | 63.4 | 0 | 0 | 0 | 0 | 108.5 | G1674 L1698 G1800 R1803 T1804 | G1674-C1797 VanDerWaalsContact CA-O 3.27Å; G1674-C1797 WeakPolarHBondContact CA-O 3.38Å; G1674-C1797 PolarHBondContact N-O 2.84Å; L1698-C1797 HydrophobicContact CB-CB 4.19Å; C1797-G1800 PolarHBondContact SG-N 2.83Å; C1797-G1800 VanDerWaalsContact SG-N 3.4Å; C1797-R1803 HydrophobicContact CB-CB 4.03Å; C1797-T1804 PolarHBondContact N-OG1 2.78Å |
| 1798 | S | 94.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 20.2 Ų | 20.2 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -93.7 | -62.3 | 167.7 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | Y1630 G1674 K1708 | Y1630-S1798 PolarHBondContact OH-OG 3.15Å; Y1630-S1798 VanDerWaalsContact OH-OG 3.05Å; G1674-S1798 PolarHBondContact N-O 2.81Å; K1708-S1798 VanDerWaalsContact O-CA 3.26Å; K1708-S1798 WeakPolarHBondContact O-CA 3.37Å; K1708-S1798 WeakPolarHBondContact O-CB 3.42Å; K1708-S1798 PolarHBondContact O-OG 3.31Å |
| 1799 | A | 93.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 15 Ų | 15 | 8% | 0.083 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -89 | -14.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1630 V1633 V1801 R1836 | Y1630-A1799 HydrophobicContact CD2-CB 3.63Å; Y1630-A1799 HydrophobicContact CE2-CB 3.78Å; V1633-A1799 HydrophobicContact CG1-CB 4.32Å; V1633-A1799 HydrophobicContact CG2-CB 4.26Å; A1799-V1801 HydrophobicContact CB-CG2 4.03Å; A1799-R1836 PolarHBondContact O-NH2 2.76Å |
| 1800 | G | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.036 | C | C | . | . | S | Bend | trans | 76.5 | 27.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | T1672 C1797 T1804 R1836 | T1672-G1800 WeakPolarHBondContact O-CA 3.45Å; C1797-G1800 PolarHBondContact SG-N 2.83Å; C1797-G1800 VanDerWaalsContact SG-N 3.4Å; G1800-T1804 WeakPolarHBondContact CA-OG1 3.43Å; G1800-R1836 PolarHBondContact O-NE 3.35Å |
| 1801 | V | 95.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -135.1 | -51.4 | -173.2 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | V1633 A1799 G1805 R1836 S1837 M1839 V1840 Q1841 | V1633-V1801 HydrophobicContact CG1-CG1 3.55Å; V1633-V1801 HydrophobicContact CG1-CG2 4.29Å; A1799-V1801 HydrophobicContact CB-CG2 4.03Å; V1801-G1805 WeakPolarHBondContact O-CA 3.44Å; V1801-G1805 PolarHBondContact O-N 2.93Å; V1801-R1836 HydrophobicContact CG1-CG 4.15Å; V1801-S1837 WeakPolarHBondContact CG1-O 3.38Å; V1801-M1839 HydrophobicContact CB-SD 4.3Å; V1801-M1839 HydrophobicContact CG1-SD 4.39Å; V1801-V1840 PolarHBondContact O-N 2.9Å; V1801-V1840 VanDerWaalsContact O-N 3.12Å; V1801-Q1841 HydrophobicContact CG2-CB 4.49Å |
| 1802 | G | 94.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 5 Ų | 5 | 2% | 0.021 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -68.7 | -84.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | T1804 G1805 A1806 Q1845 | G1802-T1804 PolarHBondContact O-N 3.05Å; G1802-G1805 PolarHBondContact O-N 3.47Å; G1802-G1805 VanDerWaalsContact O-N 3.07Å; G1802-A1806 PolarHBondContact O-N 2.74Å; G1802-Q1845 PolarHBondContact O-OE1 3.09Å |
| 1803 | R | 97.2 | Very high | 96.7 | Very high | 28 Ų | 28 | 4.4 Ų | 4.4 | 11% | 0.106 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -55.9 | -35.2 | 177 | -57.8 | -176.8 | 179 | 155.7 | -0.5 | 112.9 | L1698 T1699 E1703 W1763 P1764 C1797 A1806 L1807 | L1698-R1803 HydrophobicContact CB-CB 3.98Å; L1698-R1803 HydrophobicContact CD1-CB 4.38Å; L1698-R1803 WeakPolarHBondContact CD1-O 3.47Å; L1698-R1803 WeakPolarHBondContact O-CD 3.45Å; L1698-R1803 PolarHBondContact O-NH1 2.74Å; T1699-R1803 PolarHBondContact OG1-NH1 3.19Å; E1703-R1803 IonicContact OE1-CZ 3.36Å; E1703-R1803 IonicContact OE1-NH1 2.66Å; E1703-R1803 PolarHBondContact OE1-NH1 3.44Å; E1703-R1803 IonicContact OE1-NH2 2.7Å; E1703-R1803 PolarHBondContact OE1-NH2 2.92Å; E1703-R1803 IonicContact OE2-CZ 2.78Å; E1703-R1803 IonicContact OE2-NH1 3.86Å; E1703-R1803 PolarHBondContact OE2-NH1 2.85Å; E1703-R1803 IonicContact OE2-NH2 2.71Å; E1703-R1803 PolarHBondContact OE2-NH2 2.89Å; W1763-R1803 HydrophobicContact CD2-CG 3.84Å; W1763-R1803 HydrophobicContact CE3-CB 4.27Å; W1763-R1803 HydrophobicContact CE3-CG 4.04Å; W1763-R1803 VanDerWaalsContact CG-NE 3.26Å; W1763-R1803 HydrophobicContact CH2-CB 4.14Å; W1763-R1803 HydrophobicContact CH2-CG 3.96Å; W1763-R1803 HydrophobicContact CZ2-CB 4.41Å; W1763-R1803 HydrophobicContact CZ2-CG 3.72Å; W1763-R1803 HydrophobicContact CZ3-CB 4.05Å; W1763-R1803 HydrophobicContact CZ3-CG 4.1Å; P1764-R1803 PolarHBondContact O-NH2 2.98Å; P1764-R1803 VanDerWaalsContact O-NH2 3.1Å; C1797-R1803 HydrophobicContact CB-CB 4.03Å; R1803-A1806 PolarHBondContact O-N 3.16Å; R1803-L1807 PolarHBondContact O-N 2.73Å; R1803-L1807 VanDerWaalsContact O-N 3.08Å |
| 1804 | T | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -58.4 | -50.2 | 174 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | A1671 V1795 C1797 G1800 G1802 A1806 L1807 I1808 M1839 | A1671-T1804 HydrophobicContact CB-CG2 3.66Å; V1795-T1804 HydrophobicContact CB-CG2 4.09Å; V1795-T1804 HydrophobicContact CG1-CG2 3.9Å; V1795-T1804 WeakPolarHBondContact O-CG2 3.45Å; C1797-T1804 PolarHBondContact N-OG1 2.78Å; G1800-T1804 WeakPolarHBondContact CA-OG1 3.43Å; G1802-T1804 PolarHBondContact O-N 3.05Å; T1804-A1806 VanDerWaalsContact C-N 3.34Å; T1804-A1806 PolarHBondContact O-N 2.88Å; T1804-L1807 PolarHBondContact O-N 3.43Å; T1804-I1808 HydrophobicContact CG2-CD1 3.9Å; T1804-I1808 WeakPolarHBondContact O-CG1 3.39Å; T1804-I1808 PolarHBondContact O-N 3.27Å; T1804-I1808 VanDerWaalsContact O-N 3.12Å; T1804-M1839 HydrophobicContact CG2-CE 4.42Å |
| 1805 | G | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1801 G1802 L1807 I1808 V1809 | V1801-G1805 WeakPolarHBondContact O-CA 3.44Å; V1801-G1805 PolarHBondContact O-N 2.93Å; G1802-G1805 PolarHBondContact O-N 3.47Å; G1802-G1805 VanDerWaalsContact O-N 3.07Å; G1805-L1807 VanDerWaalsContact C-N 3.33Å; G1805-L1807 PolarHBondContact O-N 3.44Å; G1805-I1808 PolarHBondContact O-N 3.42Å; G1805-V1809 WeakPolarHBondContact O-CB 3.43Å; G1805-V1809 VanDerWaalsContact O-CG2 3.22Å; G1805-V1809 WeakPolarHBondContact O-CG2 3.34Å; G1805-V1809 PolarHBondContact O-N 2.86Å |
| 1806 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.1 | -36.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1763 G1802 R1803 T1804 V1810 I1849 | W1763-A1806 HydrophobicContact CH2-CB 3.92Å; G1802-A1806 PolarHBondContact O-N 2.74Å; R1803-A1806 PolarHBondContact O-N 3.16Å; T1804-A1806 VanDerWaalsContact C-N 3.34Å; T1804-A1806 PolarHBondContact O-N 2.88Å; A1806-V1810 VanDerWaalsContact O-CG2 3.25Å; A1806-V1810 WeakPolarHBondContact O-CG2 3.42Å; A1806-V1810 PolarHBondContact O-N 2.76Å; A1806-I1849 HydrophobicContact CB-CD1 4.25Å; A1806-I1849 HydrophobicContact CB-CG1 4.08Å |
| 1807 | L | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.4 | -48.7 | 171.9 | -176.6 | 141.6 | 0 | 0 | 0 | 111.7 | V1696 L1698 F1775 F1778 L1779 V1795 R1803 T1804 G1805 V1809 V1810 D1811 | V1696-L1807 HydrophobicContact CG1-CD1 3.81Å; L1698-L1807 HydrophobicContact CD1-CB 3.54Å; L1698-L1807 HydrophobicContact CD1-CD1 3.99Å; L1698-L1807 HydrophobicContact CD1-CG 4.35Å; L1698-L1807 HydrophobicContact CD2-CD1 3.84Å; L1698-L1807 HydrophobicContact CG-CD1 4.38Å; F1775-L1807 HydrophobicContact CE2-CB 4.37Å; F1775-L1807 HydrophobicContact CE2-CD1 4.34Å; F1775-L1807 HydrophobicContact CZ-CB 3.76Å; F1775-L1807 HydrophobicContact CZ-CD1 4.3Å; F1775-L1807 HydrophobicContact CZ-CG 4.26Å; F1778-L1807 HydrophobicContact CD1-CD1 4.23Å; F1778-L1807 HydrophobicContact CE1-CD1 3.93Å; L1779-L1807 HydrophobicContact CD1-CD1 3.99Å; L1779-L1807 HydrophobicContact CD1-CD2 3.99Å; L1779-L1807 HydrophobicContact CD1-CG 3.84Å; V1795-L1807 HydrophobicContact CG1-CD2 4.17Å; V1795-L1807 HydrophobicContact CG2-CD2 4.21Å; R1803-L1807 PolarHBondContact O-N 2.73Å; R1803-L1807 VanDerWaalsContact O-N 3.08Å; T1804-L1807 PolarHBondContact O-N 3.43Å; G1805-L1807 VanDerWaalsContact C-N 3.33Å; G1805-L1807 PolarHBondContact O-N 3.44Å; L1807-V1809 PolarHBondContact O-N 2.93Å; L1807-V1810 PolarHBondContact O-N 3.26Å; L1807-D1811 WeakPolarHBondContact O-CB 3.41Å; L1807-D1811 PolarHBondContact O-N 2.71Å |
| 1808 | I | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | -176.3 | -71 | 170 | 0 | 0 | 0 | 111.1 | I1660 Y1669 A1671 V1795 T1804 G1805 D1811 I1812 M1839 | I1660-I1808 HydrophobicContact CB-CD1 4.41Å; I1660-I1808 HydrophobicContact CG1-CD1 4.36Å; I1660-I1808 HydrophobicContact CG2-CG2 3.91Å; Y1669-I1808 HydrophobicContact CD1-CG1 4.08Å; Y1669-I1808 HydrophobicContact CD2-CB 4.45Å; Y1669-I1808 HydrophobicContact CD2-CD1 4.28Å; Y1669-I1808 HydrophobicContact CD2-CG1 4.04Å; Y1669-I1808 HydrophobicContact CD2-CG2 3.69Å; Y1669-I1808 HydrophobicContact CE2-CG1 4.47Å; Y1669-I1808 HydrophobicContact CE2-CG2 3.73Å; Y1669-I1808 HydrophobicContact CG-CD1 4Å; Y1669-I1808 HydrophobicContact CG-CG1 3.84Å; Y1669-I1808 HydrophobicContact CG-CG2 4.38Å; A1671-I1808 HydrophobicContact CB-CD1 4.34Å; V1795-I1808 HydrophobicContact CB-CD1 4.27Å; V1795-I1808 HydrophobicContact CG2-CD1 4.38Å; V1795-I1808 HydrophobicContact CG2-CG1 4.29Å; T1804-I1808 HydrophobicContact CG2-CD1 3.9Å; T1804-I1808 WeakPolarHBondContact O-CG1 3.39Å; T1804-I1808 PolarHBondContact O-N 3.27Å; T1804-I1808 VanDerWaalsContact O-N 3.12Å; G1805-I1808 PolarHBondContact O-N 3.42Å; I1808-D1811 PolarHBondContact O-N 3.43Å; I1808-I1812 HydrophobicContact CG2-CD1 3.56Å; I1808-I1812 HydrophobicContact CG2-CG1 4.33Å; I1808-I1812 WeakPolarHBondContact O-CB 3.49Å; I1808-I1812 WeakPolarHBondContact O-CD1 3.32Å; I1808-I1812 WeakPolarHBondContact O-CG1 3.28Å; I1808-I1812 PolarHBondContact O-N 2.93Å; I1808-M1839 HydrophobicContact CD1-CE 4.1Å |
| 1809 | V | 98 | Very high | 94 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 179.7 | 179 | 0 | 0 | 0 | 0 | 111.6 | G1805 L1807 D1811 I1812 M1813 I1825 C1828 V1829 I1832 V1840 I1849 | G1805-V1809 WeakPolarHBondContact O-CB 3.43Å; G1805-V1809 VanDerWaalsContact O-CG2 3.22Å; G1805-V1809 WeakPolarHBondContact O-CG2 3.34Å; G1805-V1809 PolarHBondContact O-N 2.86Å; L1807-V1809 PolarHBondContact O-N 2.93Å; V1809-D1811 VanDerWaalsContact C-N 3.27Å; V1809-D1811 PolarHBondContact O-N 2.83Å; V1809-I1812 PolarHBondContact O-N 2.93Å; V1809-M1813 HydrophobicContact CG1-CG 4.4Å; V1809-M1813 VanDerWaalsContact O-CG 3.26Å; V1809-M1813 WeakPolarHBondContact O-CG 3.28Å; V1809-M1813 PolarHBondContact O-N 3.08Å; V1809-I1825 HydrophobicContact CG1-CG2 4.14Å; V1809-C1828 HydrophobicContact CG1-CB 4.29Å; V1809-V1829 HydrophobicContact CG1-CG2 4.13Å; V1809-V1829 HydrophobicContact CG2-CG2 3.79Å; V1809-I1832 HydrophobicContact CG2-CD1 3.37Å; V1809-V1840 HydrophobicContact CG2-CG2 3.95Å; V1809-I1849 HydrophobicContact CB-CD1 4.09Å; V1809-I1849 HydrophobicContact CB-CG2 4.23Å; V1809-I1849 HydrophobicContact CG1-CD1 4.25Å; V1809-I1849 HydrophobicContact CG1-CG2 3.59Å; V1809-I1849 HydrophobicContact CG2-CD1 4.42Å |
| 1810 | V | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 110 | F1775 L1776 L1779 A1806 L1807 M1813 L1814 I1849 A1852 V1853 | F1775-V1810 HydrophobicContact CE1-CB 4.45Å; F1775-V1810 HydrophobicContact CE1-CG2 4.34Å; L1776-V1810 HydrophobicContact CD2-CG1 4.02Å; L1779-V1810 HydrophobicContact CD2-CB 4.33Å; L1779-V1810 HydrophobicContact CD2-CG1 3.79Å; A1806-V1810 VanDerWaalsContact O-CG2 3.25Å; A1806-V1810 WeakPolarHBondContact O-CG2 3.42Å; A1806-V1810 PolarHBondContact O-N 2.76Å; L1807-V1810 PolarHBondContact O-N 3.26Å; V1810-M1813 PolarHBondContact O-N 2.81Å; V1810-L1814 HydrophobicContact CG1-CD1 3.97Å; V1810-L1814 HydrophobicContact CG1-CG 4.15Å; V1810-L1814 WeakPolarHBondContact O-CB 3.32Å; V1810-L1814 VanDerWaalsContact O-CG 3.28Å; V1810-L1814 WeakPolarHBondContact O-CG 3.3Å; V1810-L1814 PolarHBondContact O-N 3.13Å; V1810-I1849 HydrophobicContact CG2-CB 4.22Å; V1810-I1849 HydrophobicContact CG2-CG1 4.14Å; V1810-I1849 HydrophobicContact CG2-CG2 3.96Å; V1810-A1852 HydrophobicContact CG1-CB 4.26Å; V1810-A1852 HydrophobicContact CG2-CB 3.8Å; V1810-V1853 HydrophobicContact CG2-CG2 4.43Å |
| 1811 | D | 96.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.011 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | -179.6 | -152.7 | 48.3 | 0 | 0 | 0 | 113.1 | Y1669 L1779 K1783 L1807 I1808 V1809 M1813 L1814 D1815 | Y1669-D1811 PolarHBondContact OH-OD2 2.82Å; L1779-D1811 HydrophobicContact CD1-CB 4.13Å; L1779-D1811 VanDerWaalsContact CD1-OD1 3.31Å; L1779-D1811 WeakPolarHBondContact CD1-OD1 3.22Å; L1779-D1811 HydrophobicContact CD2-CB 4.04Å; L1779-D1811 WeakPolarHBondContact CG-OD1 3.27Å; K1783-D1811 WeakPolarHBondContact CE-OD1 3.4Å; K1783-D1811 WeakPolarHBondContact CE-OD2 3.3Å; K1783-D1811 VanDerWaalsContact NZ-CG 3.34Å; K1783-D1811 IonicContact NZ-OD1 2.74Å; K1783-D1811 PolarHBondContact NZ-OD1 2.58Å; K1783-D1811 IonicContact NZ-OD2 3.15Å; K1783-D1811 PolarHBondContact NZ-OD2 2.79Å; L1807-D1811 WeakPolarHBondContact O-CB 3.41Å; L1807-D1811 PolarHBondContact O-N 2.71Å; I1808-D1811 PolarHBondContact O-N 3.43Å; V1809-D1811 VanDerWaalsContact C-N 3.27Å; V1809-D1811 PolarHBondContact O-N 2.83Å; D1811-M1813 VanDerWaalsContact C-N 3.33Å; D1811-M1813 PolarHBondContact O-N 3.17Å; D1811-L1814 PolarHBondContact O-N 3.23Å; D1811-D1815 PolarHBondContact O-N 2.76Å |
| 1812 | I | 96.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 173.5 | -68.2 | 168.6 | 0 | 0 | 0 | 111 | D1661 Y1669 I1808 V1809 D1815 R1816 I1832 | D1661-I1812 WeakPolarHBondContact O-CD1 3.39Å; Y1669-I1812 HydrophobicContact CE2-CD1 4.25Å; Y1669-I1812 HydrophobicContact CE2-CG1 4.12Å; I1808-I1812 HydrophobicContact CG2-CD1 3.56Å; I1808-I1812 HydrophobicContact CG2-CG1 4.33Å; I1808-I1812 WeakPolarHBondContact O-CB 3.49Å; I1808-I1812 WeakPolarHBondContact O-CD1 3.32Å; I1808-I1812 WeakPolarHBondContact O-CG1 3.28Å; I1808-I1812 PolarHBondContact O-N 2.93Å; V1809-I1812 PolarHBondContact O-N 2.93Å; I1812-D1815 PolarHBondContact O-N 3.28Å; I1812-R1816 WeakPolarHBondContact O-CB 3.3Å; I1812-R1816 PolarHBondContact O-N 2.87Å; I1812-I1832 HydrophobicContact CD1-CG2 4.46Å |
| 1813 | M | 95.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.2 | -41.4 | 176 | -65.8 | -62.7 | 96.4 | 0 | 0 | 112 | V1809 V1810 D1811 D1815 R1816 L1817 V1823 D1824 I1825 C1828 V1853 | V1809-M1813 HydrophobicContact CG1-CG 4.4Å; V1809-M1813 VanDerWaalsContact O-CG 3.26Å; V1809-M1813 WeakPolarHBondContact O-CG 3.28Å; V1809-M1813 PolarHBondContact O-N 3.08Å; V1810-M1813 PolarHBondContact O-N 2.81Å; D1811-M1813 VanDerWaalsContact C-N 3.33Å; D1811-M1813 PolarHBondContact O-N 3.17Å; M1813-D1815 VanDerWaalsContact C-N 3.25Å; M1813-D1815 PolarHBondContact O-N 3.21Å; M1813-R1816 PolarHBondContact O-N 3.07Å; M1813-L1817 VanDerWaalsContact O-CB 3.29Å; M1813-L1817 WeakPolarHBondContact O-CB 3.44Å; M1813-L1817 WeakPolarHBondContact O-CD1 3.44Å; M1813-L1817 WeakPolarHBondContact O-CG 3.4Å; M1813-L1817 PolarHBondContact O-N 2.65Å; M1813-V1823 HydrophobicContact CG-CG1 4.38Å; M1813-V1823 HydrophobicContact SD-CB 4.47Å; M1813-V1823 HydrophobicContact SD-CG1 3.82Å; M1813-D1824 VanDerWaalsContact SD-C 3.58Å; M1813-D1824 PolarHBondContact SD-N 2.75Å; M1813-I1825 HydrophobicContact CG-CG1 3.82Å; M1813-I1825 HydrophobicContact SD-CG1 3.99Å; M1813-C1828 HydrophobicContact CE-CB 3.79Å; M1813-V1853 HydrophobicContact CB-CG1 4.23Å; M1813-V1853 HydrophobicContact CB-CG2 3.69Å; M1813-V1853 HydrophobicContact CG-CG2 4.11Å |
| 1814 | L | 92.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 19% | 0.194 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.2 | -24.8 | 175.9 | -68.2 | -178 | 0 | 0 | 0 | 113.6 | L1776 L1779 V1810 D1811 L1817 R1818 A1856 | L1776-L1814 HydrophobicContact CD2-CD1 4.16Å; L1779-L1814 HydrophobicContact CD2-CD1 3.86Å; V1810-L1814 HydrophobicContact CG1-CD1 3.97Å; V1810-L1814 HydrophobicContact CG1-CG 4.15Å; V1810-L1814 WeakPolarHBondContact O-CB 3.32Å; V1810-L1814 VanDerWaalsContact O-CG 3.28Å; V1810-L1814 WeakPolarHBondContact O-CG 3.3Å; V1810-L1814 PolarHBondContact O-N 3.13Å; D1811-L1814 PolarHBondContact O-N 3.23Å; L1814-L1817 HydrophobicContact CD2-CD1 4.12Å; L1814-R1818 WeakPolarHBondContact O-CG 3.35Å; L1814-R1818 PolarHBondContact O-NE 2.91Å; L1814-A1856 HydrophobicContact CD2-CB 3.46Å; L1814-A1856 VanDerWaalsContact CD2-CB 3.46Å |
| 1815 | D | 90.6 | Very high | 92.3 | Very high | 31 Ų | 31 | 34.8 Ų | 34.8 | 17% | 0.166 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -80.8 | -48.5 | 168.9 | -74.4 | -15.6 | 0 | 0 | 0 | 110.9 | Y1663 K1783 D1811 I1812 M1813 L1817 R1818 Y1819 | Y1663-D1815 HydrophobicContact CD1-CB 4.25Å; Y1663-D1815 HydrophobicContact CG-CB 4.39Å; K1783-D1815 IonicContact NZ-OD1 2.79Å; K1783-D1815 PolarHBondContact NZ-OD1 2.87Å; K1783-D1815 IonicContact NZ-OD2 3.86Å; K1783-D1815 PolarHBondContact NZ-OD2 2.84Å; D1811-D1815 PolarHBondContact O-N 2.76Å; I1812-D1815 PolarHBondContact O-N 3.28Å; M1813-D1815 VanDerWaalsContact C-N 3.25Å; M1813-D1815 PolarHBondContact O-N 3.21Å; D1815-L1817 VanDerWaalsContact C-N 3.27Å; D1815-L1817 PolarHBondContact O-N 2.6Å; D1815-R1818 WeakPolarHBondContact O-CB 3.4Å; D1815-R1818 PolarHBondContact O-N 3.09Å; D1815-R1818 IonicContact OD1-NE 3.75Å; D1815-Y1819 WeakPolarHBondContact O-CD2 3.46Å |
| 1816 | R | 92.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -53.1 | -42.6 | 176.9 | -175.2 | 168.6 | -170.6 | 163 | 0.4 | 112.7 | Y1663 I1812 M1813 R1818 Y1819 E1820 T1822 D1824 | Y1663-R1816 HydrophobicContact CD2-CB 3.51Å; Y1663-R1816 HydrophobicContact CD2-CG 3.87Å; Y1663-R1816 HydrophobicContact CE2-CB 3.67Å; Y1663-R1816 HydrophobicContact CE2-CG 3.52Å; Y1663-R1816 HydrophobicContact CG-CB 3.99Å; I1812-R1816 WeakPolarHBondContact O-CB 3.3Å; I1812-R1816 PolarHBondContact O-N 2.87Å; M1813-R1816 PolarHBondContact O-N 3.07Å; R1816-R1818 PolarHBondContact O-N 3.01Å; R1816-R1818 VanDerWaalsContact O-N 3.14Å; R1816-Y1819 PolarHBondContact O-N 2.76Å; R1816-E1820 HydrophobicContact CG-CB 4.22Å; R1816-E1820 HydrophobicContact CG-CG 4.45Å; R1816-E1820 IonicContact CZ-OE1 3.65Å; R1816-E1820 IonicContact CZ-OE2 3.76Å; R1816-E1820 VanDerWaalsContact NE-CD 3.32Å; R1816-E1820 IonicContact NE-OE1 3.65Å; R1816-E1820 PolarHBondContact NE-OE1 3.45Å; R1816-E1820 IonicContact NE-OE2 2.83Å; R1816-E1820 PolarHBondContact NE-OE2 3.28Å; R1816-E1820 IonicContact NH2-OE1 3.61Å; R1816-E1820 IonicContact NH2-OE2 3.56Å; R1816-E1820 PolarHBondContact NH2-OE2 3Å; R1816-E1820 PolarHBondContact O-N 2.75Å; R1816-T1822 PolarHBondContact NE-OG1 3.14Å; R1816-D1824 IonicContact CZ-OD2 2.72Å; R1816-D1824 IonicContact NH1-OD2 3.33Å; R1816-D1824 PolarHBondContact NH1-OD2 3.16Å |
| 1817 | L | 86.6 | Confident | 91.7 | Very high | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.12 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.1 | -32.2 | 176.7 | -82 | 169.6 | 0 | 0 | 0 | 113.5 | I1583 M1813 L1814 D1815 Y1819 V1823 V1853 V1857 | I1583-L1817 HydrophobicContact CG2-CD2 3.13Å; M1813-L1817 VanDerWaalsContact O-CB 3.29Å; M1813-L1817 WeakPolarHBondContact O-CB 3.44Å; M1813-L1817 WeakPolarHBondContact O-CD1 3.44Å; M1813-L1817 WeakPolarHBondContact O-CG 3.4Å; M1813-L1817 PolarHBondContact O-N 2.65Å; L1814-L1817 HydrophobicContact CD2-CD1 4.12Å; D1815-L1817 VanDerWaalsContact C-N 3.27Å; D1815-L1817 PolarHBondContact O-N 2.6Å; L1817-Y1819 VanDerWaalsContact C-N 3.29Å; L1817-Y1819 PolarHBondContact O-N 3.45Å; L1817-V1823 HydrophobicContact CD1-CG2 4.42Å; L1817-V1823 HydrophobicContact CD2-CG2 3.64Å; L1817-V1823 HydrophobicContact CG-CG2 4.09Å; L1817-V1853 HydrophobicContact CD1-CG1 3.96Å; L1817-V1857 HydrophobicContact CD1-CG2 3.75Å; L1817-V1857 HydrophobicContact CD2-CG2 3.94Å |
| 1818 | R | 81.6 | Confident | 91.5 | Very high | 173 Ų | 173 | 38.4 Ų | 38.4 | 65% | 0.653 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -74.6 | -17.6 | -179.2 | -58.4 | 169.1 | -172 | -121 | 2.7 | 113.7 | L1814 D1815 R1816 | L1814-R1818 WeakPolarHBondContact O-CG 3.35Å; L1814-R1818 PolarHBondContact O-NE 2.91Å; D1815-R1818 WeakPolarHBondContact O-CB 3.4Å; D1815-R1818 PolarHBondContact O-N 3.09Å; D1815-R1818 IonicContact OD1-NE 3.75Å; R1816-R1818 PolarHBondContact O-N 3.01Å; R1816-R1818 VanDerWaalsContact O-N 3.14Å |
| 1819 | Y | 82.2 | Confident | 91.4 | Very high | 173 Ų | 173 | 38.4 Ų | 38.4 | 68% | 0.678 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -119.4 | -33 | -170.8 | -61.4 | -76.6 | 0 | 0 | 0 | 113.2 | Y1663 D1815 R1816 L1817 | Y1663-Y1819 AromaticContact CD1-CD2 3.96Å; Y1663-Y1819 HydrophobicContact CD1-CD2 3.96Å; Y1663-Y1819 HydrophobicContact CD1-CE2 4.39Å; Y1663-Y1819 AromaticContact CE1-CD2 3.46Å; Y1663-Y1819 HydrophobicContact CE1-CD2 3.46Å; Y1663-Y1819 VanDerWaalsContact CE1-CD2 3.46Å; Y1663-Y1819 HydrophobicContact CE1-CE2 4.23Å; Y1663-Y1819 HydrophobicContact CE1-CG 4.01Å; D1815-Y1819 WeakPolarHBondContact O-CD2 3.46Å; R1816-Y1819 PolarHBondContact O-N 2.76Å; L1817-Y1819 VanDerWaalsContact C-N 3.29Å; L1817-Y1819 PolarHBondContact O-N 3.45Å |
| 1820 | E | 84.9 | Confident | 91 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -115.5 | -16.7 | -173.3 | -73.3 | -179.7 | -135 | 0 | 0 | 115.7 | Y1663 R1816 T1822 | Y1663-E1820 VanDerWaalsContact CE2-OE1 3.25Å; Y1663-E1820 WeakPolarHBondContact CE2-OE1 3.38Å; Y1663-E1820 PolarHBondContact OH-OE1 2.94Å; R1816-E1820 HydrophobicContact CG-CB 4.22Å; R1816-E1820 HydrophobicContact CG-CG 4.45Å; R1816-E1820 IonicContact CZ-OE1 3.65Å; R1816-E1820 IonicContact CZ-OE2 3.76Å; R1816-E1820 VanDerWaalsContact NE-CD 3.32Å; R1816-E1820 IonicContact NE-OE1 3.65Å; R1816-E1820 PolarHBondContact NE-OE1 3.45Å; R1816-E1820 IonicContact NE-OE2 2.83Å; R1816-E1820 PolarHBondContact NE-OE2 3.28Å; R1816-E1820 IonicContact NH2-OE1 3.61Å; R1816-E1820 IonicContact NH2-OE2 3.56Å; R1816-E1820 PolarHBondContact NH2-OE2 3Å; R1816-E1820 PolarHBondContact O-N 2.75Å; E1820-T1822 WeakPolarHBondContact CB-OG1 3.37Å; E1820-T1822 PolarHBondContact O-N 2.73Å; E1820-T1822 PolarHBondContact OE2-OG1 2.88Å; E1820-T1822 VanDerWaalsContact OE2-OG1 3.12Å |
| 1821 | N | 85 | Confident | 90.6 | Very high | 102 Ų | 102 | 42.7 Ų | 42.7 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 52.7 | 30.9 | -167.6 | -68.7 | -35.9 | 0 | 0 | 0 | 113.8 | I1583 | I1583-N1821 HydrophobicContact CD1-CB 3.89Å; I1583-N1821 HydrophobicContact CG1-CB 4.19Å; I1583-N1821 WeakPolarHBondContact CG2-O 3.42Å; I1583-N1821 PolarHBondContact N-O 3.47Å; I1583-N1821 VanDerWaalsContact N-O 3.17Å |
| 1822 | T | 88.4 | Confident | 90.4 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 17% | 0.172 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 160.6 | 174.9 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | I1581 R1816 E1820 | I1581-T1822 CarbonylContact O-C 3.5Å; I1581-T1822 VanDerWaalsContact O-CA 3.3Å; I1581-T1822 WeakPolarHBondContact O-CA 3.47Å; R1816-T1822 PolarHBondContact NE-OG1 3.14Å; E1820-T1822 WeakPolarHBondContact CB-OG1 3.37Å; E1820-T1822 PolarHBondContact O-N 2.73Å; E1820-T1822 PolarHBondContact OE2-OG1 2.88Å; E1820-T1822 VanDerWaalsContact OE2-OG1 3.12Å |
| 1823 | V | 90.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.6 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | I1581 I1583 L1586 M1813 L1817 I1825 V1853 | I1581-V1823 PolarHBondContact N-O 2.76Å; I1581-V1823 PolarHBondContact O-N 3.42Å; I1583-V1823 HydrophobicContact CG2-CG2 4.36Å; L1586-V1823 HydrophobicContact CD1-CB 4.2Å; L1586-V1823 HydrophobicContact CD1-CG1 4.08Å; L1586-V1823 HydrophobicContact CD1-CG2 4.46Å; L1586-V1823 HydrophobicContact CD2-CG2 4.14Å; M1813-V1823 HydrophobicContact CG-CG1 4.38Å; M1813-V1823 HydrophobicContact SD-CB 4.47Å; M1813-V1823 HydrophobicContact SD-CG1 3.82Å; L1817-V1823 HydrophobicContact CD1-CG2 4.42Å; L1817-V1823 HydrophobicContact CD2-CG2 3.64Å; L1817-V1823 HydrophobicContact CG-CG2 4.09Å; V1823-I1825 HydrophobicContact CG1-CD1 3.68Å; V1823-I1825 HydrophobicContact CG1-CG1 3.76Å; V1823-V1853 HydrophobicContact CG1-CG1 3.93Å; V1823-V1853 HydrophobicContact CG2-CG1 3.76Å |
| 1824 | D | 92.4 | Very high | 89.9 | Confident | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | trans | -144.8 | 68.6 | -172.9 | -178.4 | 7.1 | 0 | 0 | 0 | 109.3 | P1580 M1813 R1816 G1827 C1828 | P1580-D1824 HydrophobicContact CB-CB 4.18Å; P1580-D1824 HydrophobicContact CG-CB 4.26Å; M1813-D1824 VanDerWaalsContact SD-C 3.58Å; M1813-D1824 PolarHBondContact SD-N 2.75Å; R1816-D1824 IonicContact CZ-OD2 2.72Å; R1816-D1824 IonicContact NH1-OD2 3.33Å; R1816-D1824 PolarHBondContact NH1-OD2 3.16Å; D1824-G1827 VanDerWaalsContact OD1-CA 3.26Å; D1824-G1827 WeakPolarHBondContact OD1-CA 3.4Å; D1824-G1827 PolarHBondContact OD1-N 2.85Å; D1824-C1828 WeakPolarHBondContact O-CB 3.19Å; D1824-C1828 PolarHBondContact O-N 3.36Å | ||
| 1825 | I | 96.1 | Very high | 90 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.4 | -38.4 | -176.5 | -68.5 | 158.5 | 0 | 0 | 0 | 110 | V1809 M1813 V1823 V1829 Y1846 I1849 H1850 V1853 | V1809-I1825 HydrophobicContact CG1-CG2 4.14Å; M1813-I1825 HydrophobicContact CG-CG1 3.82Å; M1813-I1825 HydrophobicContact SD-CG1 3.99Å; V1823-I1825 HydrophobicContact CG1-CD1 3.68Å; V1823-I1825 HydrophobicContact CG1-CG1 3.76Å; I1825-V1829 HydrophobicContact CG2-CG2 4.25Å; I1825-V1829 WeakPolarHBondContact O-CB 3.49Å; I1825-V1829 VanDerWaalsContact O-CG2 3.23Å; I1825-V1829 WeakPolarHBondContact O-CG2 3.5Å; I1825-V1829 PolarHBondContact O-N 2.71Å; I1825-Y1846 HydrophobicContact CG2-CD2 4.32Å; I1825-Y1846 HydrophobicContact CG2-CE2 3.74Å; I1825-I1849 HydrophobicContact CD1-CG2 3.95Å; I1825-I1849 HydrophobicContact CG1-CG2 3.95Å; I1825-I1849 HydrophobicContact CG2-CG2 3.74Å; I1825-H1850 HydrophobicContact CD1-CB 4.38Å; I1825-H1850 VanDerWaalsContact CD1-CD2 3.48Å; I1825-H1850 WeakPolarHBondContact CD1-CD2 3.38Å; I1825-H1850 WeakPolarHBondContact CG2-CE1 3.48Å; I1825-V1853 HydrophobicContact CD1-CB 4.4Å; I1825-V1853 HydrophobicContact CD1-CG2 4.22Å |
| 1826 | Y | 94.1 | Very high | 90.1 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -57.1 | 175.7 | -176.2 | -86 | 0 | 0 | 0 | 112.1 | H1578 E1604 S1607 I1608 C1828 V1829 A1830 Y1846 | H1578-Y1826 HydrophobicContact CB-CD1 3.59Å; H1578-Y1826 HydrophobicContact CB-CD2 4.17Å; H1578-Y1826 HydrophobicContact CB-CE1 4.05Å; H1578-Y1826 HydrophobicContact CB-CG 3.65Å; H1578-Y1826 AromaticContact CE1-CE2 3.47Å; H1578-Y1826 VanDerWaalsContact CE1-CE2 3.47Å; H1578-Y1826 WeakPolarHBondContact CE1-CE2 3.38Å; H1578-Y1826 AromaticContact CE1-CZ 3.7Å; H1578-Y1826 AromaticContact CG-CD1 3.92Å; H1578-Y1826 AromaticContact CG-CD2 3.75Å; H1578-Y1826 AromaticContact CG-CE2 3.86Å; H1578-Y1826 AromaticContact CG-CG 3.78Å; H1578-Y1826 AromaticContact CG-CZ 4Å; H1578-Y1826 AromaticContact ND1-CD1 3.9Å; H1578-Y1826 AromaticContact ND1-CD2 3.73Å; H1578-Y1826 AromaticContact ND1-CE1 3.52Å; H1578-Y1826 AromaticContact ND1-CE2 3.32Å; H1578-Y1826 VanDerWaalsContact ND1-CE2 3.32Å; H1578-Y1826 WeakPolarHBondContact ND1-CE2 3.33Å; H1578-Y1826 AromaticContact ND1-CG 4Å; H1578-Y1826 AromaticContact ND1-CZ 3.21Å; E1604-Y1826 HydrophobicContact CG-CD2 3.75Å; E1604-Y1826 HydrophobicContact CG-CE2 4.26Å; S1607-Y1826 PolarHBondContact O-OH 2.89Å; S1607-Y1826 WeakPolarHBondContact OG-CE2 3.36Å; I1608-Y1826 HydrophobicContact CB-CE2 4.45Å; I1608-Y1826 HydrophobicContact CD1-CD2 4.14Å; I1608-Y1826 HydrophobicContact CD1-CE2 4.35Å; I1608-Y1826 HydrophobicContact CG1-CD2 3.67Å; I1608-Y1826 HydrophobicContact CG1-CE2 3.4Å; Y1826-C1828 VanDerWaalsContact C-N 3.3Å; Y1826-C1828 PolarHBondContact O-N 2.67Å; Y1826-V1829 PolarHBondContact O-N 3Å; Y1826-A1830 WeakPolarHBondContact O-CB 3.17Å; Y1826-A1830 PolarHBondContact O-N 2.73Å; Y1826-Y1846 WeakPolarHBondContact CA-OH 3.3Å |
| 1827 | G | 88.9 | Confident | 89.9 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 27% | 0.268 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.5 | -37.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1824 A1831 | D1824-G1827 VanDerWaalsContact OD1-CA 3.26Å; D1824-G1827 WeakPolarHBondContact OD1-CA 3.4Å; D1824-G1827 PolarHBondContact OD1-N 2.85Å; G1827-A1831 VanDerWaalsContact O-CB 3.29Å; G1827-A1831 WeakPolarHBondContact O-CB 3.16Å; G1827-A1831 PolarHBondContact O-N 3.48Å |
| 1828 | C | 93.5 | Very high | 90.2 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 8% | 0.081 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 173.3 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | V1809 M1813 D1824 Y1826 A1831 I1832 | V1809-C1828 HydrophobicContact CG1-CB 4.29Å; M1813-C1828 HydrophobicContact CE-CB 3.79Å; D1824-C1828 WeakPolarHBondContact O-CB 3.19Å; D1824-C1828 PolarHBondContact O-N 3.36Å; Y1826-C1828 VanDerWaalsContact C-N 3.3Å; Y1826-C1828 PolarHBondContact O-N 2.67Å; C1828-A1831 PolarHBondContact O-N 3.05Å; C1828-I1832 WeakPolarHBondContact O-CG1 3.19Å; C1828-I1832 PolarHBondContact O-N 3.41Å; C1828-I1832 VanDerWaalsContact O-N 3.08Å |
| 1829 | V | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.2 | -39.7 | -179.5 | 177.3 | 0 | 0 | 0 | 0 | 111 | I1608 V1809 I1825 Y1826 R1833 V1840 Y1846 | I1608-V1829 HydrophobicContact CD1-CB 4.24Å; I1608-V1829 HydrophobicContact CD1-CG1 3.97Å; I1608-V1829 HydrophobicContact CG2-CG1 4.18Å; V1809-V1829 HydrophobicContact CG1-CG2 4.13Å; V1809-V1829 HydrophobicContact CG2-CG2 3.79Å; I1825-V1829 HydrophobicContact CG2-CG2 4.25Å; I1825-V1829 WeakPolarHBondContact O-CB 3.49Å; I1825-V1829 VanDerWaalsContact O-CG2 3.23Å; I1825-V1829 WeakPolarHBondContact O-CG2 3.5Å; I1825-V1829 PolarHBondContact O-N 2.71Å; Y1826-V1829 PolarHBondContact O-N 3Å; V1829-R1833 HydrophobicContact CG1-CG 4.36Å; V1829-R1833 VanDerWaalsContact O-CB 3.29Å; V1829-R1833 WeakPolarHBondContact O-CB 3.31Å; V1829-R1833 VanDerWaalsContact O-CG 3.32Å; V1829-R1833 WeakPolarHBondContact O-CG 3.45Å; V1829-R1833 PolarHBondContact O-N 2.98Å; V1829-V1840 HydrophobicContact CG1-CB 4.14Å; V1829-V1840 HydrophobicContact CG1-CG2 4.23Å; V1829-V1840 HydrophobicContact CG2-CB 4.46Å; V1829-V1840 HydrophobicContact CG2-CG2 3.87Å; V1829-Y1846 HydrophobicContact CB-CE2 4.31Å; V1829-Y1846 HydrophobicContact CG2-CD2 4.18Å; V1829-Y1846 HydrophobicContact CG2-CE2 3.94Å |
| 1830 | A | 89.7 | Confident | 91.5 | Very high | 36 Ų | 36 | 29 Ų | 29 | 30% | 0.298 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1608 Y1826 R1833 S1834 | I1608-A1830 HydrophobicContact CG2-CB 4.08Å; Y1826-A1830 WeakPolarHBondContact O-CB 3.17Å; Y1826-A1830 PolarHBondContact O-N 2.73Å; A1830-R1833 PolarHBondContact O-N 3.29Å; A1830-S1834 PolarHBondContact O-N 3.06Å |
| 1831 | A | 89.3 | Confident | 91.9 | Very high | 54 Ų | 54 | 29.2 Ų | 29.2 | 45% | 0.446 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.3 | -51.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | G1827 C1828 R1833 S1834 | G1827-A1831 VanDerWaalsContact O-CB 3.29Å; G1827-A1831 WeakPolarHBondContact O-CB 3.16Å; G1827-A1831 PolarHBondContact O-N 3.48Å; C1828-A1831 PolarHBondContact O-N 3.05Å; A1831-R1833 VanDerWaalsContact C-N 3.31Å; A1831-R1833 PolarHBondContact O-N 2.83Å; A1831-S1834 WeakPolarHBondContact O-CB 3.44Å; A1831-S1834 PolarHBondContact O-N 2.65Å; A1831-S1834 VanDerWaalsContact O-N 3.11Å; A1831-S1834 PolarHBondContact O-OG 2.92Å |
| 1832 | I | 93.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72 | -22.5 | -178.9 | 70.3 | 178.4 | 0 | 0 | 0 | 113.2 | I1660 V1809 I1812 C1828 S1834 Q1835 R1836 M1839 | I1660-I1832 HydrophobicContact CG2-CB 3.85Å; I1660-I1832 HydrophobicContact CG2-CG2 3.43Å; I1660-I1832 VanDerWaalsContact CG2-CG2 3.43Å; V1809-I1832 HydrophobicContact CG2-CD1 3.37Å; I1812-I1832 HydrophobicContact CD1-CG2 4.46Å; C1828-I1832 WeakPolarHBondContact O-CG1 3.19Å; C1828-I1832 PolarHBondContact O-N 3.41Å; C1828-I1832 VanDerWaalsContact O-N 3.08Å; I1832-S1834 VanDerWaalsContact C-N 3.3Å; I1832-Q1835 PolarHBondContact O-N 3.06Å; I1832-Q1835 VanDerWaalsContact O-N 3.15Å; I1832-R1836 PolarHBondContact O-N 3.14Å; I1832-M1839 HydrophobicContact CD1-CB 3.9Å; I1832-M1839 HydrophobicContact CD1-CE 3.99Å; I1832-M1839 HydrophobicContact CG1-CB 3.75Å; I1832-M1839 HydrophobicContact CG1-CG 4.31Å |
| 1833 | R | 92.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 28.1 Ų | 28.1 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.2 | -22.6 | 169.9 | -83.3 | -176.6 | 178.5 | -174.9 | 4.6 | 113.4 | Y1605 I1608 V1829 A1830 A1831 Q1835 M1839 V1840 | Y1605-R1833 PolarHBondContact OH-NH2 2.9Å; I1608-R1833 PolarHBondContact O-NH1 2.86Å; V1829-R1833 HydrophobicContact CG1-CG 4.36Å; V1829-R1833 VanDerWaalsContact O-CB 3.29Å; V1829-R1833 WeakPolarHBondContact O-CB 3.31Å; V1829-R1833 VanDerWaalsContact O-CG 3.32Å; V1829-R1833 WeakPolarHBondContact O-CG 3.45Å; V1829-R1833 PolarHBondContact O-N 2.98Å; A1830-R1833 PolarHBondContact O-N 3.29Å; A1831-R1833 VanDerWaalsContact C-N 3.31Å; A1831-R1833 PolarHBondContact O-N 2.83Å; R1833-Q1835 VanDerWaalsContact C-N 3.31Å; R1833-M1839 HydrophobicContact CG-CB 4.13Å; R1833-M1839 WeakPolarHBondContact CG-O 3.4Å; R1833-M1839 PolarHBondContact NE-O 3.42Å; R1833-V1840 PolarHBondContact NH2-O 3.12Å |
| 1834 | S | 89 | Confident | 92.5 | Very high | 45 Ų | 45 | 33.1 Ų | 33.1 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.9 | -35.3 | 166.9 | 78.4 | 0 | 0 | 0 | 0 | 111.3 | Y1636 H1638 A1830 A1831 I1832 | Y1636-S1834 VanDerWaalsContact CD2-O 3.23Å; Y1636-S1834 WeakPolarHBondContact CD2-O 3.27Å; Y1636-S1834 WeakPolarHBondContact CE2-O 3.48Å; H1638-S1834 PolarHBondContact CE1-O 3.44Å; H1638-S1834 VanDerWaalsContact CE1-O 3.23Å; A1830-S1834 PolarHBondContact O-N 3.06Å; A1831-S1834 WeakPolarHBondContact O-CB 3.44Å; A1831-S1834 PolarHBondContact O-N 2.65Å; A1831-S1834 VanDerWaalsContact O-N 3.11Å; A1831-S1834 PolarHBondContact O-OG 2.92Å; I1832-S1834 VanDerWaalsContact C-N 3.3Å |
| 1835 | Q | 92.7 | Very high | 92.7 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -84.6 | -32.5 | -174.2 | -59.5 | -172.4 | -40.6 | 0 | 0 | 113.8 | S1639 I1660 D1661 I1832 R1833 | S1639-Q1835 PolarHBondContact OG-O 2.9Å; I1660-Q1835 HydrophobicContact CD1-CB 3.84Å; D1661-Q1835 VanDerWaalsContact CG-NE2 3.34Å; D1661-Q1835 PolarHBondContact OD2-NE2 2.76Å; I1832-Q1835 PolarHBondContact O-N 3.06Å; I1832-Q1835 VanDerWaalsContact O-N 3.15Å; R1833-Q1835 VanDerWaalsContact C-N 3.31Å |
| 1836 | R | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -146.8 | 142.2 | 172.9 | -175.9 | 169.5 | 172.8 | 79.9 | 0.2 | 111.9 | N1656 N1658 I1660 A1671 A1799 G1800 V1801 I1832 M1839 | N1656-R1836 PolarHBondContact OD1-NH1 3.4Å; N1656-R1836 PolarHBondContact OD1-NH2 2.89Å; N1658-R1836 HydrophobicContact CB-CB 4.02Å; N1658-R1836 HydrophobicContact CB-CG 4.33Å; N1658-R1836 WeakPolarHBondContact OD1-CD 3.41Å; N1658-R1836 WeakPolarHBondContact OD1-CG 3.34Å; N1658-R1836 PolarHBondContact OD1-NH1 3.26Å; I1660-R1836 HydrophobicContact CD1-CB 3.83Å; A1671-R1836 PolarHBondContact O-NE 3.26Å; A1799-R1836 PolarHBondContact O-NH2 2.76Å; G1800-R1836 PolarHBondContact O-NE 3.35Å; V1801-R1836 HydrophobicContact CG1-CG 4.15Å; I1832-R1836 PolarHBondContact O-N 3.14Å; R1836-M1839 HydrophobicContact CB-CG 3.82Å; R1836-M1839 HydrophobicContact CB-SD 4.07Å; R1836-M1839 HydrophobicContact CG-CG 4.36Å; R1836-M1839 HydrophobicContact CG-SD 4.2Å; R1836-M1839 VanDerWaalsContact O-CG 3.31Å; R1836-M1839 WeakPolarHBondContact O-CG 3.23Å |
| 1837 | S | 89.1 | Confident | 92.8 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 138.4 | 179.1 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | I1634 Y1636 V1801 M1839 | I1634-S1837 PolarHBondContact O-OG 3.29Å; I1634-S1837 VanDerWaalsContact O-OG 3.11Å; Y1636-S1837 WeakPolarHBondContact OH-CA 3.41Å; V1801-S1837 WeakPolarHBondContact CG1-O 3.38Å; S1837-M1839 VanDerWaalsContact C-N 3.27Å; S1837-M1839 PolarHBondContact O-N 3.15Å; S1837-M1839 VanDerWaalsContact O-N 3.11Å |
| 1838 | Y | 92 | Very high | 93.1 | Very high | 106 Ų | 106 | 31 Ų | 31 | 42% | 0.416 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25.1 | 171.8 | -45.2 | -72.9 | 0 | 0 | 0 | 117.4 | N1632 V1840 | N1632-Y1838 VanDerWaalsContact O-CE2 3.31Å; N1632-Y1838 WeakPolarHBondContact O-CE2 3.41Å; Y1838-V1840 CarbonylContact O-C 3.58Å; Y1838-V1840 PolarHBondContact O-N 3.1Å |
| 1839 | M | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -57.2 | 128.4 | 172.6 | -67.5 | -67.5 | -77 | 0 | 0 | 110.3 | I1660 A1671 V1801 T1804 I1808 I1832 R1833 R1836 S1837 | I1660-M1839 HydrophobicContact CD1-CE 3.93Å; I1660-M1839 HydrophobicContact CD1-SD 4.46Å; I1660-M1839 HydrophobicContact CG1-CE 3.95Å; A1671-M1839 HydrophobicContact CB-CE 3.99Å; A1671-M1839 HydrophobicContact CB-SD 4.16Å; V1801-M1839 HydrophobicContact CB-SD 4.3Å; V1801-M1839 HydrophobicContact CG1-SD 4.39Å; T1804-M1839 HydrophobicContact CG2-CE 4.42Å; I1808-M1839 HydrophobicContact CD1-CE 4.1Å; I1832-M1839 HydrophobicContact CD1-CB 3.9Å; I1832-M1839 HydrophobicContact CD1-CE 3.99Å; I1832-M1839 HydrophobicContact CG1-CB 3.75Å; I1832-M1839 HydrophobicContact CG1-CG 4.31Å; R1833-M1839 HydrophobicContact CG-CB 4.13Å; R1833-M1839 WeakPolarHBondContact CG-O 3.4Å; R1833-M1839 PolarHBondContact NE-O 3.42Å; R1836-M1839 HydrophobicContact CB-CG 3.82Å; R1836-M1839 HydrophobicContact CB-SD 4.07Å; R1836-M1839 HydrophobicContact CG-CG 4.36Å; R1836-M1839 HydrophobicContact CG-SD 4.2Å; R1836-M1839 VanDerWaalsContact O-CG 3.31Å; R1836-M1839 WeakPolarHBondContact O-CG 3.23Å; S1837-M1839 VanDerWaalsContact C-N 3.27Å; S1837-M1839 PolarHBondContact O-N 3.15Å; S1837-M1839 VanDerWaalsContact O-N 3.11Å |
| 1840 | V | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 56 | 98.3 | -161.1 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | Y1605 V1801 V1809 V1829 R1833 Y1838 Q1845 Y1846 I1849 | Y1605-V1840 HydrophobicContact CE2-CG1 4.42Å; Y1605-V1840 PolarHBondContact OH-O 3.49Å; V1801-V1840 PolarHBondContact O-N 2.9Å; V1801-V1840 VanDerWaalsContact O-N 3.12Å; V1809-V1840 HydrophobicContact CG2-CG2 3.95Å; V1829-V1840 HydrophobicContact CG1-CB 4.14Å; V1829-V1840 HydrophobicContact CG1-CG2 4.23Å; V1829-V1840 HydrophobicContact CG2-CB 4.46Å; V1829-V1840 HydrophobicContact CG2-CG2 3.87Å; R1833-V1840 PolarHBondContact NH2-O 3.12Å; Y1838-V1840 CarbonylContact O-C 3.58Å; Y1838-V1840 PolarHBondContact O-N 3.1Å; V1840-Q1845 HydrophobicContact CG1-CB 3.92Å; V1840-Y1846 HydrophobicContact CG1-CD2 4.31Å; V1840-I1849 HydrophobicContact CB-CD1 4.31Å; V1840-I1849 HydrophobicContact CG1-CD1 3.73Å; V1840-I1849 HydrophobicContact CG2-CD1 3.53Å |
| 1841 | Q | 92.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 30.6 Ų | 30.6 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | trans | -97.8 | -15.6 | -159.7 | -168.5 | 176 | 15.9 | 0 | 0 | 114.2 | Y1605 V1801 | Y1605-Q1841 PolarHBondContact OH-O 3.34Å; Y1605-Q1841 VanDerWaalsContact OH-O 3.09Å; V1801-Q1841 HydrophobicContact CG2-CB 4.49Å | ||
| 1842 | T | 92.5 | Very high | 93.7 | Very high | 48 Ų | 48 | 28 Ų | 28 | 29% | 0.294 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -136.4 | 152.8 | 176.6 | 65 | 0 | 0 | 0 | 0 | 111.6 | Y1605 E1844 Q1845 Y1846 | Y1605-T1842 PolarHBondContact OH-N 3.43Å; T1842-E1844 VanDerWaalsContact C-N 3.25Å; T1842-E1844 PolarHBondContact O-N 2.9Å; T1842-Q1845 WeakPolarHBondContact O-CA 3.14Å; T1842-Q1845 WeakPolarHBondContact O-CB 3.41Å; T1842-Q1845 PolarHBondContact O-N 2.88Å; T1842-Q1845 WeakPolarHBondContact OG1-CG 3.46Å; T1842-Q1845 PolarHBondContact OG1-N 2.71Å; T1842-Q1845 PolarHBondContact OG1-NE2 3.34Å; T1842-Y1846 PolarHBondContact O-N 3.25Å; T1842-Y1846 VanDerWaalsContact O-N 3.12Å |
| 1843 | E | 92.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 27.8 Ų | 27.8 | 27% | 0.271 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -54.6 | -41.4 | 172.3 | -174.1 | -173.8 | 176.8 | 0 | 0 | 111.5 | S1602 Y1605 Q1845 Y1846 I1847 | S1602-E1843 VanDerWaalsContact CA-OE1 3.3Å; S1602-E1843 WeakPolarHBondContact CA-OE1 3.49Å; S1602-E1843 VanDerWaalsContact CB-OE1 3.29Å; S1602-E1843 WeakPolarHBondContact CB-OE1 3.39Å; S1602-E1843 PolarHBondContact N-OE1 3.39Å; S1602-E1843 PolarHBondContact OG-OE1 2.78Å; Y1605-E1843 HydrophobicContact CD1-CB 4.02Å; Y1605-E1843 HydrophobicContact CE1-CB 4.36Å; Y1605-E1843 HydrophobicContact CG-CB 4.38Å; E1843-Q1845 PolarHBondContact O-N 3.18Å; E1843-Y1846 WeakPolarHBondContact O-CA 3.41Å; E1843-Y1846 WeakPolarHBondContact O-CB 3.49Å; E1843-Y1846 PolarHBondContact O-N 3.03Å; E1843-I1847 HydrophobicContact CG-CD1 3.97Å; E1843-I1847 HydrophobicContact CG-CG1 4.39Å; E1843-I1847 WeakPolarHBondContact O-CG1 3.46Å; E1843-I1847 PolarHBondContact O-N 3.37Å |
| 1844 | E | 93 | Very high | 93.8 | Very high | 106 Ų | 106 | 28.1 Ų | 28.1 | 50% | 0.495 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -54.5 | -37.8 | 173.9 | -58.3 | 177.9 | 131.5 | 0 | 0 | 112.6 | V1768 T1842 F1848 | V1768-E1844 HydrophobicContact CG1-CB 4.01Å; V1768-E1844 WeakPolarHBondContact CG1-O 3.32Å; T1842-E1844 VanDerWaalsContact C-N 3.25Å; T1842-E1844 PolarHBondContact O-N 2.9Å; E1844-F1848 VanDerWaalsContact O-CB 3.29Å; E1844-F1848 WeakPolarHBondContact O-CB 3Å; E1844-F1848 PolarHBondContact O-N 2.84Å |
| 1845 | Q | 96.4 | Very high | 93.8 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 10% | 0.098 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.6 | -36.2 | 176.4 | -68.1 | 160.6 | 28 | 0 | 0 | 111.3 | W1763 V1768 G1802 V1840 T1842 E1843 F1848 I1849 | W1763-Q1845 HydrophobicContact CZ2-CG 4.34Å; V1768-Q1845 HydrophobicContact CG1-CG 4.13Å; G1802-Q1845 PolarHBondContact O-OE1 3.09Å; V1840-Q1845 HydrophobicContact CG1-CB 3.92Å; T1842-Q1845 WeakPolarHBondContact O-CA 3.14Å; T1842-Q1845 WeakPolarHBondContact O-CB 3.41Å; T1842-Q1845 PolarHBondContact O-N 2.88Å; T1842-Q1845 WeakPolarHBondContact OG1-CG 3.46Å; T1842-Q1845 PolarHBondContact OG1-N 2.71Å; T1842-Q1845 PolarHBondContact OG1-NE2 3.34Å; E1843-Q1845 PolarHBondContact O-N 3.18Å; Q1845-F1848 PolarHBondContact O-N 2.82Å; Q1845-I1849 WeakPolarHBondContact O-CD1 3.36Å; Q1845-I1849 VanDerWaalsContact O-CG1 3.24Å; Q1845-I1849 WeakPolarHBondContact O-CG1 3.14Å; Q1845-I1849 PolarHBondContact O-N 2.67Å |
| 1846 | Y | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 176.2 | -167.3 | -103.1 | 0 | 0 | 0 | 112 | F1601 E1604 Y1605 I1608 I1825 Y1826 V1829 V1840 T1842 E1843 I1849 H1850 | F1601-Y1846 AromaticContact CD1-CD1 3.78Å; F1601-Y1846 HydrophobicContact CD1-CD1 3.78Å; F1601-Y1846 AromaticContact CD1-CE1 3.93Å; F1601-Y1846 HydrophobicContact CD1-CE1 3.93Å; F1601-Y1846 AromaticContact CE1-CD1 3.98Å; F1601-Y1846 HydrophobicContact CE1-CD1 3.98Å; F1601-Y1846 HydrophobicContact CE1-CE1 4.03Å; E1604-Y1846 HydrophobicContact CG-CE1 4.24Å; E1604-Y1846 WeakPolarHBondContact OE1-CE1 3.31Å; E1604-Y1846 VanDerWaalsContact OE1-CZ 3.28Å; E1604-Y1846 PolarHBondContact OE1-OH 2.88Å; Y1605-Y1846 HydrophobicContact CD2-CD1 4.21Å; Y1605-Y1846 AromaticContact CD2-CD2 3.9Å; Y1605-Y1846 HydrophobicContact CD2-CD2 3.9Å; Y1605-Y1846 AromaticContact CD2-CG 3.64Å; Y1605-Y1846 HydrophobicContact CD2-CG 3.64Å; Y1605-Y1846 HydrophobicContact CE2-CG 4.45Å; Y1605-Y1846 HydrophobicContact CG-CG 4.43Å; I1608-Y1846 HydrophobicContact CD1-CD2 4.17Å; I1608-Y1846 HydrophobicContact CD1-CE2 3.5Å; I1825-Y1846 HydrophobicContact CG2-CD2 4.32Å; I1825-Y1846 HydrophobicContact CG2-CE2 3.74Å; Y1826-Y1846 WeakPolarHBondContact CA-OH 3.3Å; V1829-Y1846 HydrophobicContact CB-CE2 4.31Å; V1829-Y1846 HydrophobicContact CG2-CD2 4.18Å; V1829-Y1846 HydrophobicContact CG2-CE2 3.94Å; V1840-Y1846 HydrophobicContact CG1-CD2 4.31Å; T1842-Y1846 PolarHBondContact O-N 3.25Å; T1842-Y1846 VanDerWaalsContact O-N 3.12Å; E1843-Y1846 WeakPolarHBondContact O-CA 3.41Å; E1843-Y1846 WeakPolarHBondContact O-CB 3.49Å; E1843-Y1846 PolarHBondContact O-N 3.03Å; Y1846-I1849 PolarHBondContact O-N 2.77Å; Y1846-H1850 AromaticContact CE1-CE1 3.48Å; Y1846-H1850 VanDerWaalsContact CE1-CE1 3.48Å; Y1846-H1850 WeakPolarHBondContact CE1-CE1 3.44Å; Y1846-H1850 AromaticContact CZ-CE1 3.6Å; Y1846-H1850 PolarHBondContact O-N 3.13Å; Y1846-H1850 PolarHBondContact O-ND1 2.82Å |
| 1847 | I | 95.1 | Very high | 93.5 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 171.8 | -61.7 | 169.5 | 0 | 0 | 0 | 110.6 | N1598 F1601 E1843 I1849 H1850 D1851 | N1598-I1847 HydrophobicContact CB-CD1 4Å; F1601-I1847 HydrophobicContact CB-CD1 4.34Å; F1601-I1847 HydrophobicContact CB-CG1 4.17Å; F1601-I1847 HydrophobicContact CD1-CG1 4.02Å; F1601-I1847 HydrophobicContact CD2-CD1 4.21Å; F1601-I1847 HydrophobicContact CD2-CG1 3.68Å; F1601-I1847 HydrophobicContact CD2-CG2 4.49Å; F1601-I1847 HydrophobicContact CE1-CG1 4.36Å; F1601-I1847 HydrophobicContact CE2-CB 4.46Å; F1601-I1847 HydrophobicContact CE2-CG1 4.01Å; F1601-I1847 HydrophobicContact CE2-CG2 4.16Å; F1601-I1847 HydrophobicContact CG-CD1 4.31Å; F1601-I1847 HydrophobicContact CG-CG1 3.7Å; F1601-I1847 HydrophobicContact CZ-CG1 4.36Å; E1843-I1847 HydrophobicContact CG-CD1 3.97Å; E1843-I1847 HydrophobicContact CG-CG1 4.39Å; E1843-I1847 WeakPolarHBondContact O-CG1 3.46Å; E1843-I1847 PolarHBondContact O-N 3.37Å; I1847-I1849 VanDerWaalsContact C-N 3.33Å; I1847-I1849 PolarHBondContact O-N 2.79Å; I1847-H1850 WeakPolarHBondContact O-CB 3.46Å; I1847-H1850 PolarHBondContact O-N 2.93Å; I1847-D1851 PolarHBondContact O-N 3.26Å |
| 1848 | F | 95.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.022 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -34.6 | 177.4 | 179.5 | -99.1 | 0 | 0 | 0 | 113.3 | W1763 V1768 P1769 P1772 F1775 E1844 Q1845 D1851 A1852 | W1763-F1848 HydrophobicContact CH2-CD1 4.19Å; W1763-F1848 HydrophobicContact CH2-CE1 4.2Å; W1763-F1848 HydrophobicContact CZ3-CE1 4.37Å; V1768-F1848 HydrophobicContact CB-CB 3.91Å; V1768-F1848 HydrophobicContact CB-CD2 3.9Å; V1768-F1848 HydrophobicContact CB-CG 3.93Å; V1768-F1848 HydrophobicContact CG1-CB 3.88Å; V1768-F1848 HydrophobicContact CG1-CG 4.28Å; V1768-F1848 HydrophobicContact CG2-CB 4.04Å; V1768-F1848 HydrophobicContact CG2-CD2 4.06Å; V1768-F1848 HydrophobicContact CG2-CG 4.33Å; P1769-F1848 HydrophobicContact CB-CE2 3.86Å; P1769-F1848 HydrophobicContact CB-CZ 4.14Å; P1769-F1848 HydrophobicContact CG-CE2 3.89Å; P1769-F1848 HydrophobicContact CG-CZ 3.78Å; P1772-F1848 HydrophobicContact CB-CE2 3.85Å; P1772-F1848 HydrophobicContact CB-CZ 3.96Å; F1775-F1848 HydrophobicContact CB-CZ 3.99Å; F1775-F1848 AromaticContact CD1-CE1 3.76Å; F1775-F1848 HydrophobicContact CD1-CE1 3.76Å; F1775-F1848 HydrophobicContact CD1-CZ 4.02Å; F1775-F1848 AromaticContact CE1-CE1 3.96Å; F1775-F1848 HydrophobicContact CE1-CE1 3.96Å; F1775-F1848 HydrophobicContact CG-CE1 4.06Å; F1775-F1848 HydrophobicContact CG-CZ 4.03Å; F1775-F1848 HydrophobicContact CZ-CE1 4.42Å; E1844-F1848 VanDerWaalsContact O-CB 3.29Å; E1844-F1848 WeakPolarHBondContact O-CB 3Å; E1844-F1848 PolarHBondContact O-N 2.84Å; Q1845-F1848 PolarHBondContact O-N 2.82Å; F1848-D1851 PolarHBondContact O-N 2.86Å; F1848-A1852 VanDerWaalsContact O-CB 3.23Å; F1848-A1852 WeakPolarHBondContact O-CB 3.42Å; F1848-A1852 PolarHBondContact O-N 2.87Å |
| 1849 | I | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 173.4 | -69 | 159.1 | 0 | 0 | 0 | 110.1 | A1806 V1809 V1810 I1825 V1840 Q1845 Y1846 I1847 D1851 A1852 V1853 | A1806-I1849 HydrophobicContact CB-CD1 4.25Å; A1806-I1849 HydrophobicContact CB-CG1 4.08Å; V1809-I1849 HydrophobicContact CB-CD1 4.09Å; V1809-I1849 HydrophobicContact CB-CG2 4.23Å; V1809-I1849 HydrophobicContact CG1-CD1 4.25Å; V1809-I1849 HydrophobicContact CG1-CG2 3.59Å; V1809-I1849 HydrophobicContact CG2-CD1 4.42Å; V1810-I1849 HydrophobicContact CG2-CB 4.22Å; V1810-I1849 HydrophobicContact CG2-CG1 4.14Å; V1810-I1849 HydrophobicContact CG2-CG2 3.96Å; I1825-I1849 HydrophobicContact CD1-CG2 3.95Å; I1825-I1849 HydrophobicContact CG1-CG2 3.95Å; I1825-I1849 HydrophobicContact CG2-CG2 3.74Å; V1840-I1849 HydrophobicContact CB-CD1 4.31Å; V1840-I1849 HydrophobicContact CG1-CD1 3.73Å; V1840-I1849 HydrophobicContact CG2-CD1 3.53Å; Q1845-I1849 WeakPolarHBondContact O-CD1 3.36Å; Q1845-I1849 VanDerWaalsContact O-CG1 3.24Å; Q1845-I1849 WeakPolarHBondContact O-CG1 3.14Å; Q1845-I1849 PolarHBondContact O-N 2.67Å; Y1846-I1849 PolarHBondContact O-N 2.77Å; I1847-I1849 VanDerWaalsContact C-N 3.33Å; I1847-I1849 PolarHBondContact O-N 2.79Å; I1849-D1851 PolarHBondContact O-N 2.83Å; I1849-A1852 PolarHBondContact O-N 2.84Å; I1849-V1853 WeakPolarHBondContact O-CG2 3.12Å; I1849-V1853 PolarHBondContact O-N 2.83Å |
| 1850 | H | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 176.6 | -77.7 | 81.9 | 0 | 0 | 0 | 112 | I1590 F1601 I1825 Y1846 I1847 A1852 V1853 L1854 | I1590-H1850 HydrophobicContact CD1-CB 3.83Å; I1590-H1850 WeakPolarHBondContact CD1-O 3.14Å; I1590-H1850 HydrophobicContact CG1-CB 4.07Å; F1601-H1850 HydrophobicContact CE1-CB 4.19Å; F1601-H1850 AromaticContact CE1-CD2 3.96Å; F1601-H1850 AromaticContact CE1-CE1 3.69Å; F1601-H1850 AromaticContact CE1-CG 3.59Å; F1601-H1850 AromaticContact CE1-ND1 3.42Å; F1601-H1850 WeakPolarHBondContact CE1-ND1 3.49Å; F1601-H1850 HydrophobicContact CZ-CB 3.67Å; F1601-H1850 AromaticContact CZ-CD2 3.97Å; F1601-H1850 AromaticContact CZ-CG 3.53Å; F1601-H1850 AromaticContact CZ-ND1 3.85Å; I1825-H1850 HydrophobicContact CD1-CB 4.38Å; I1825-H1850 VanDerWaalsContact CD1-CD2 3.48Å; I1825-H1850 WeakPolarHBondContact CD1-CD2 3.38Å; I1825-H1850 WeakPolarHBondContact CG2-CE1 3.48Å; Y1846-H1850 AromaticContact CE1-CE1 3.48Å; Y1846-H1850 VanDerWaalsContact CE1-CE1 3.48Å; Y1846-H1850 WeakPolarHBondContact CE1-CE1 3.44Å; Y1846-H1850 AromaticContact CZ-CE1 3.6Å; Y1846-H1850 PolarHBondContact O-N 3.13Å; Y1846-H1850 PolarHBondContact O-ND1 2.82Å; I1847-H1850 WeakPolarHBondContact O-CB 3.46Å; I1847-H1850 PolarHBondContact O-N 2.93Å; H1850-A1852 VanDerWaalsContact C-N 3.32Å; H1850-A1852 PolarHBondContact O-N 3.08Å; H1850-V1853 PolarHBondContact O-N 3.25Å; H1850-L1854 VanDerWaalsContact O-CB 3.31Å; H1850-L1854 WeakPolarHBondContact O-CB 3.46Å; H1850-L1854 PolarHBondContact O-N 3.01Å |
| 1851 | D | 92.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -38.3 | 175.1 | -79.8 | -22 | 0 | 0 | 0 | 112.2 | K1594 P1772 I1847 F1848 I1849 D1855 | K1594-D1851 IonicContact NZ-OD1 3.09Å; K1594-D1851 PolarHBondContact NZ-OD1 2.96Å; K1594-D1851 IonicContact NZ-OD2 3.61Å; K1594-D1851 PolarHBondContact NZ-OD2 3.22Å; P1772-D1851 HydrophobicContact CG-CB 4.48Å; I1847-D1851 PolarHBondContact O-N 3.26Å; F1848-D1851 PolarHBondContact O-N 2.86Å; I1849-D1851 PolarHBondContact O-N 2.83Å; D1851-D1855 WeakPolarHBondContact O-CB 2.98Å; D1851-D1855 PolarHBondContact O-N 2.88Å |
| 1852 | A | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.1 | -39.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1772 L1776 V1810 F1848 I1849 H1850 A1856 | P1772-A1852 HydrophobicContact CB-CB 3.66Å; P1772-A1852 HydrophobicContact CG-CB 4.38Å; L1776-A1852 HydrophobicContact CD2-CB 4.38Å; V1810-A1852 HydrophobicContact CG1-CB 4.26Å; V1810-A1852 HydrophobicContact CG2-CB 3.8Å; F1848-A1852 VanDerWaalsContact O-CB 3.23Å; F1848-A1852 WeakPolarHBondContact O-CB 3.42Å; F1848-A1852 PolarHBondContact O-N 2.87Å; I1849-A1852 PolarHBondContact O-N 2.84Å; H1850-A1852 VanDerWaalsContact C-N 3.32Å; H1850-A1852 PolarHBondContact O-N 3.08Å; A1852-A1856 WeakPolarHBondContact O-CB 3.44Å; A1852-A1856 PolarHBondContact O-N 2.94Å; A1852-A1856 VanDerWaalsContact O-N 3.1Å |
| 1853 | V | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.7 | -42.4 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | L1586 V1810 M1813 L1817 V1823 I1825 I1849 H1850 A1856 V1857 | L1586-V1853 HydrophobicContact CD2-CG1 4.09Å; V1810-V1853 HydrophobicContact CG2-CG2 4.43Å; M1813-V1853 HydrophobicContact CB-CG1 4.23Å; M1813-V1853 HydrophobicContact CB-CG2 3.69Å; M1813-V1853 HydrophobicContact CG-CG2 4.11Å; L1817-V1853 HydrophobicContact CD1-CG1 3.96Å; V1823-V1853 HydrophobicContact CG1-CG1 3.93Å; V1823-V1853 HydrophobicContact CG2-CG1 3.76Å; I1825-V1853 HydrophobicContact CD1-CB 4.4Å; I1825-V1853 HydrophobicContact CD1-CG2 4.22Å; I1849-V1853 WeakPolarHBondContact O-CG2 3.12Å; I1849-V1853 PolarHBondContact O-N 2.83Å; H1850-V1853 PolarHBondContact O-N 3.25Å; V1853-A1856 PolarHBondContact O-N 3.34Å; V1853-V1857 WeakPolarHBondContact O-CG2 3.33Å; V1853-V1857 PolarHBondContact O-N 3.09Å |
| 1854 | L | 92.6 | Very high | 91 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 13% | 0.126 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.9 | -177.9 | 63.9 | 0 | 0 | 0 | 112.1 | L1586 A1587 I1590 H1850 A1856 V1857 Q1858 | L1586-L1854 HydrophobicContact CD2-CB 4.36Å; L1586-L1854 HydrophobicContact CD2-CD1 4.21Å; L1586-L1854 HydrophobicContact CG-CD1 4.16Å; A1587-L1854 HydrophobicContact CB-CD1 3.99Å; I1590-L1854 HydrophobicContact CD1-CB 3.76Å; I1590-L1854 HydrophobicContact CD1-CD2 3.95Å; I1590-L1854 HydrophobicContact CD1-CG 4.3Å; I1590-L1854 HydrophobicContact CG2-CD2 4.43Å; H1850-L1854 VanDerWaalsContact O-CB 3.31Å; H1850-L1854 WeakPolarHBondContact O-CB 3.46Å; H1850-L1854 PolarHBondContact O-N 3.01Å; L1854-A1856 VanDerWaalsContact C-N 3.27Å; L1854-A1856 PolarHBondContact O-N 2.86Å; L1854-V1857 PolarHBondContact O-N 2.74Å; L1854-Q1858 HydrophobicContact CD1-CG 4.06Å; L1854-Q1858 HydrophobicContact CG-CG 4.36Å; L1854-Q1858 WeakPolarHBondContact O-CB 3.31Å; L1854-Q1858 WeakPolarHBondContact O-CG 3.42Å; L1854-Q1858 PolarHBondContact O-N 2.8Å |
| 1855 | D | 89.8 | Confident | 90.7 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -34.4 | 179.1 | -164.4 | 61.9 | 0 | 0 | 0 | 111.8 | H1771 P1772 T1773 L1776 D1851 S1859 K2121 | H1771-D1855 IonicContact CE1-OD1 2.72Å; H1771-D1855 PolarHBondContact CE1-OD1 2.83Å; H1771-D1855 IonicContact CE1-OD2 3.73Å; H1771-D1855 IonicContact NE2-OD1 3.2Å; H1771-D1855 IonicContact NE2-OD2 3.31Å; P1772-D1855 HydrophobicContact CG-CB 3.58Å; T1773-D1855 PolarHBondContact OG1-OD2 2.62Å; L1776-D1855 HydrophobicContact CD1-CB 4.07Å; D1851-D1855 WeakPolarHBondContact O-CB 2.98Å; D1851-D1855 PolarHBondContact O-N 2.88Å; D1855-S1859 VanDerWaalsContact O-CB 3.22Å; D1855-S1859 WeakPolarHBondContact O-CB 3.35Å; D1855-S1859 PolarHBondContact O-N 3.4Å; D1855-S1859 PolarHBondContact O-OG 3.42Å; D1855-K2121 WeakPolarHBondContact OD1-CE 3.23Å; D1855-K2121 IonicContact OD1-NZ 2.76Å; D1855-K2121 PolarHBondContact OD1-NZ 3.38Å; D1855-K2121 IonicContact OD2-NZ 2.67Å; D1855-K2121 PolarHBondContact OD2-NZ 2.86Å |
| 1856 | A | 90.4 | Very high | 90.2 | Very high | 17 Ų | 17 | 28 Ų | 28 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.5 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1776 L1814 A1852 V1853 L1854 G1860 | L1776-A1856 HydrophobicContact CD1-CB 3.96Å; L1776-A1856 HydrophobicContact CD2-CB 4.17Å; L1814-A1856 HydrophobicContact CD2-CB 3.46Å; L1814-A1856 VanDerWaalsContact CD2-CB 3.46Å; A1852-A1856 WeakPolarHBondContact O-CB 3.44Å; A1852-A1856 PolarHBondContact O-N 2.94Å; A1852-A1856 VanDerWaalsContact O-N 3.1Å; V1853-A1856 PolarHBondContact O-N 3.34Å; L1854-A1856 VanDerWaalsContact C-N 3.27Å; L1854-A1856 PolarHBondContact O-N 2.86Å; A1856-G1860 PolarHBondContact O-N 2.84Å |
| 1857 | V | 89.1 | Confident | 89.4 | Confident | 48 Ų | 48 | 33.1 Ų | 33.1 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 175.7 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | L1586 L1817 V1853 L1854 | L1586-V1857 HydrophobicContact CD2-CB 4.39Å; L1586-V1857 HydrophobicContact CD2-CG2 4.03Å; L1817-V1857 HydrophobicContact CD1-CG2 3.75Å; L1817-V1857 HydrophobicContact CD2-CG2 3.94Å; V1853-V1857 WeakPolarHBondContact O-CG2 3.33Å; V1853-V1857 PolarHBondContact O-N 3.09Å; L1854-V1857 PolarHBondContact O-N 2.74Å |
| 1858 | Q | 85.4 | Confident | 89 | Confident | 88 Ų | 88 | 38.1 Ų | 38.1 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.8 | -37.7 | 179.3 | -71.2 | -177.5 | -13.9 | 0 | 0 | 113 | L1854 H1894 | L1854-Q1858 HydrophobicContact CD1-CG 4.06Å; L1854-Q1858 HydrophobicContact CG-CG 4.36Å; L1854-Q1858 WeakPolarHBondContact O-CB 3.31Å; L1854-Q1858 WeakPolarHBondContact O-CG 3.42Å; L1854-Q1858 PolarHBondContact O-N 2.8Å; Q1858-H1894 PolarHBondContact O-NE2 3.07Å |
| 1859 | S | 83.6 | Confident | 88.7 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.5 | -25.5 | 179.6 | -50.4 | 0 | 0 | 0 | 0 | 113.7 | D1855 T1862 K2121 | D1855-S1859 VanDerWaalsContact O-CB 3.22Å; D1855-S1859 WeakPolarHBondContact O-CB 3.35Å; D1855-S1859 PolarHBondContact O-N 3.4Å; D1855-S1859 PolarHBondContact O-OG 3.42Å; S1859-T1862 WeakPolarHBondContact O-CG2 3.29Å; S1859-K2121 PolarHBondContact OG-NZ 2.82Å |
| 1860 | G | 82.4 | Confident | 88.2 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | trans | 59.5 | -146.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1856 | A1856-G1860 PolarHBondContact O-N 2.84Š| ||
| 1861 | C | 81.5 | Confident | 87.7 | Confident | 106 Ų | 106 | 47.5 Ų | 47.5 | 72% | 0.716 | 28% | 0.277 | S | S | * | . | trans | -115.6 | 79.6 | -178.2 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | E1863 | C1861-E1863 VanDerWaalsContact C-N 3.29Å; C1861-E1863 PolarHBondContact O-N 2.84Å | ||
| 1862 | T | 87.9 | Confident | 87.5 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | trans | -84.4 | 5.7 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | S1859 D2115 F2117 T2118 | S1859-T1862 WeakPolarHBondContact O-CG2 3.29Å; T1862-D2115 WeakPolarHBondContact CB-OD1 3.08Å; T1862-D2115 WeakPolarHBondContact O-CA 3.14Å; T1862-D2115 PolarHBondContact OG1-OD1 3.49Å; T1862-D2115 PolarHBondContact OG1-OD2 3.32Å; T1862-F2117 HydrophobicContact CG2-CB 3.68Å; T1862-F2117 HydrophobicContact CG2-CD1 3.85Å; T1862-F2117 HydrophobicContact CG2-CD2 4.41Å; T1862-F2117 HydrophobicContact CG2-CG 3.73Å; T1862-T2118 PolarHBondContact OG1-OG1 3.45Å | ||
| 1863 | E | 88.9 | Confident | 87.4 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | trans | -90.8 | 121.5 | 176.7 | -172 | 162.5 | 84.9 | 0 | 0 | 110.8 | C1861 R2107 V2113 D2115 | C1861-E1863 VanDerWaalsContact C-N 3.29Å; C1861-E1863 PolarHBondContact O-N 2.84Å; E1863-R2107 IonicContact OE2-CZ 2.97Å; E1863-R2107 VanDerWaalsContact OE2-CZ 3.31Å; E1863-R2107 IonicContact OE2-NH1 3.46Å; E1863-R2107 PolarHBondContact OE2-NH1 2.84Å; E1863-R2107 IonicContact OE2-NH2 2.72Å; E1863-R2107 PolarHBondContact OE2-NH2 2.89Å; E1863-V2113 HydrophobicContact CG-CB 3.95Å; E1863-V2113 HydrophobicContact CG-CG1 4.36Å; E1863-V2113 HydrophobicContact CG-CG2 3.96Å; E1863-D2115 HydrophobicContact CB-CB 4.06Å; E1863-D2115 HydrophobicContact CG-CB 4.21Å | ||
| 1864 | V | 89.3 | Confident | 87 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.4 | -168.5 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | K1868 H1872 V2113 V2114 | V1864-K1868 HydrophobicContact CG1-CB 4.01Å; V1864-H1872 HydrophobicContact CG1-CB 3.85Å; V1864-H1872 HydrophobicContact CG2-CB 4.21Å; V1864-V2113 CarbonylContact O-C 3.52Å; V1864-V2113 WeakPolarHBondContact O-CA 3.37Å; V1864-V2114 PolarHBondContact N-O 2.98Å; V1864-V2114 PolarHBondContact O-N 3.12Å |
| 1865 | P | 85.7 | Confident | 86.8 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 139.9 | 170.4 | -25 | 34.7 | 0 | 0 | 0 | 111 | S1867 K1868 L1869 | P1865-S1867 PolarHBondContact O-N 3.42Å; P1865-K1868 WeakPolarHBondContact O-CA 3.48Å; P1865-K1868 PolarHBondContact O-N 3.04Å; P1865-L1869 PolarHBondContact O-N 2.78Å |
| 1866 | V | 85.6 | Confident | 86.9 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -49.8 | -37.5 | 179.3 | 152.5 | 0 | 0 | 0 | 0 | 112.4 | K1868 L1869 I2108 C2112 V2114 L2148 | V1866-K1868 PolarHBondContact O-N 3Å; V1866-K1868 VanDerWaalsContact O-N 3.14Å; V1866-L1869 PolarHBondContact O-N 3.07Å; V1866-I2108 HydrophobicContact CG2-CG1 4.31Å; V1866-I2108 HydrophobicContact CG2-CG2 4.31Å; V1866-C2112 WeakPolarHBondContact CB-O 3.45Å; V1866-C2112 VanDerWaalsContact CG2-O 3.3Å; V1866-C2112 WeakPolarHBondContact CG2-O 3.4Å; V1866-C2112 PolarHBondContact N-O 3.11Å; V1866-V2114 HydrophobicContact CG2-CG2 4.36Å; V1866-L2148 HydrophobicContact CB-CD1 4.45Å; V1866-L2148 HydrophobicContact CB-CD2 4.33Å; V1866-L2148 HydrophobicContact CG1-CD1 3.88Å; V1866-L2148 HydrophobicContact CG1-CD2 3.43Å; V1866-L2148 VanDerWaalsContact CG1-CD2 3.43Å; V1866-L2148 HydrophobicContact CG1-CG 4.3Å; V1866-L2148 HydrophobicContact CG2-CD1 4.23Å; V1866-L2148 HydrophobicContact CG2-CD2 3.94Å |
| 1867 | S | 80.6 | Confident | 86.9 | Confident | 109 Ų | 109 | 59 Ų | 59 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -64.9 | -10 | 176 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | P1865 | P1865-S1867 PolarHBondContact O-N 3.42Š|
| 1868 | K | 87.1 | Confident | 86.6 | Confident | 126 Ų | 126 | 61.8 Ų | 61.8 | 55% | 0.548 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -119.3 | -2.3 | 177.4 | -67.2 | -173.1 | 178.1 | -178.2 | 0 | 113.9 | V1864 P1865 V1866 M1870 L1871 H1872 | V1864-K1868 HydrophobicContact CG1-CB 4.01Å; P1865-K1868 WeakPolarHBondContact O-CA 3.48Å; P1865-K1868 PolarHBondContact O-N 3.04Å; V1866-K1868 PolarHBondContact O-N 3Å; V1866-K1868 VanDerWaalsContact O-N 3.14Å; K1868-M1870 VanDerWaalsContact C-N 3.27Å; K1868-M1870 PolarHBondContact O-N 3.3Å; K1868-L1871 PolarHBondContact O-N 3.04Å; K1868-H1872 PolarHBondContact O-N 2.7Å |
| 1869 | L | 87.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.3 | -38.4 | -172.8 | -174.9 | 63.1 | 0 | 0 | 0 | 112.9 | P1865 V1866 H1872 I1873 V2114 A2144 M2145 L2148 | P1865-L1869 PolarHBondContact O-N 2.78Å; V1866-L1869 PolarHBondContact O-N 3.07Å; L1869-H1872 PolarHBondContact O-N 2.75Å; L1869-I1873 HydrophobicContact CD1-CD1 3.95Å; L1869-I1873 HydrophobicContact CD1-CG1 4.33Å; L1869-I1873 HydrophobicContact CD2-CD1 4.39Å; L1869-I1873 HydrophobicContact CG-CD1 3.8Å; L1869-I1873 WeakPolarHBondContact O-CG1 3.29Å; L1869-I1873 PolarHBondContact O-N 3Å; L1869-V2114 HydrophobicContact CD1-CB 3.98Å; L1869-V2114 HydrophobicContact CD1-CG1 3.91Å; L1869-V2114 HydrophobicContact CD1-CG2 4.4Å; L1869-V2114 HydrophobicContact CD2-CB 4.4Å; L1869-V2114 HydrophobicContact CD2-CG1 4.47Å; L1869-V2114 HydrophobicContact CD2-CG2 3.93Å; L1869-A2144 HydrophobicContact CD2-CB 3.9Å; L1869-M2145 HydrophobicContact CB-SD 4.04Å; L1869-M2145 HydrophobicContact CD2-CG 4.03Å; L1869-M2145 HydrophobicContact CD2-SD 3.84Å; L1869-M2145 HydrophobicContact CG-CG 4.21Å; L1869-M2145 HydrophobicContact CG-SD 3.8Å; L1869-L2148 HydrophobicContact CB-CD1 4.43Å; L1869-L2148 HydrophobicContact CD2-CD1 3.63Å |
| 1870 | M | 86.3 | Confident | 86.3 | Confident | 100 Ų | 100 | 67.4 Ų | 67.4 | 49% | 0.493 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60 | -52.7 | 177.4 | -167.1 | 160.8 | -175.4 | 0 | 0 | 111.9 | K1868 H1872 I1873 E1874 M2145 | K1868-M1870 VanDerWaalsContact C-N 3.27Å; K1868-M1870 PolarHBondContact O-N 3.3Å; M1870-H1872 VanDerWaalsContact C-N 3.29Å; M1870-H1872 PolarHBondContact O-N 3.36Å; M1870-I1873 PolarHBondContact O-N 3.47Å; M1870-E1874 WeakPolarHBondContact O-CB 3.27Å; M1870-E1874 WeakPolarHBondContact O-CG 3.31Å; M1870-E1874 PolarHBondContact O-N 2.96Å; M1870-M2145 HydrophobicContact CB-CE 3.64Å; M1870-M2145 HydrophobicContact CB-SD 4.1Å; M1870-M2145 HydrophobicContact CG-CE 3.71Å; M1870-M2145 HydrophobicContact SD-CE 3.92Å |
| 1871 | L | 86 | Confident | 85.4 | Confident | 102 Ų | 102 | 69.4 Ų | 69.4 | 53% | 0.534 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | 178.1 | -64.7 | 169.7 | 0 | 0 | 0 | 112.1 | K1868 N1875 | K1868-L1871 PolarHBondContact O-N 3.04Å; L1871-N1875 WeakPolarHBondContact O-CB 3.45Å; L1871-N1875 PolarHBondContact O-N 2.73Å; L1871-N1875 PolarHBondContact O-ND2 3.38Å |
| 1872 | H | 89.6 | Confident | 84.7 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 18% | 0.181 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 175.7 | 169.4 | 72.1 | 0 | 0 | 0 | 111.7 | V1864 K1868 L1869 M1870 N1875 L1876 E1891 | V1864-H1872 HydrophobicContact CG1-CB 3.85Å; V1864-H1872 HydrophobicContact CG2-CB 4.21Å; K1868-H1872 PolarHBondContact O-N 2.7Å; L1869-H1872 PolarHBondContact O-N 2.75Å; M1870-H1872 VanDerWaalsContact C-N 3.29Å; M1870-H1872 PolarHBondContact O-N 3.36Å; H1872-N1875 CarbonylContact O-C 3.57Å; H1872-N1875 PolarHBondContact O-N 3.36Å; H1872-N1875 VanDerWaalsContact O-N 3.17Å; H1872-L1876 WeakPolarHBondContact NE2-CD1 3.49Å; H1872-L1876 WeakPolarHBondContact O-CG 3.34Å; H1872-L1876 PolarHBondContact O-N 3.26Å; H1872-E1891 IonicContact CE1-OE1 2.83Å |
| 1873 | I | 90.3 | Very high | 84 | Confident | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.087 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 177.1 | -69.4 | 165.8 | 0 | 0 | 0 | 111.1 | L1869 M1870 N1875 L1876 L1877 H2141 M2145 | L1869-I1873 HydrophobicContact CD1-CD1 3.95Å; L1869-I1873 HydrophobicContact CD1-CG1 4.33Å; L1869-I1873 HydrophobicContact CD2-CD1 4.39Å; L1869-I1873 HydrophobicContact CG-CD1 3.8Å; L1869-I1873 WeakPolarHBondContact O-CG1 3.29Å; L1869-I1873 PolarHBondContact O-N 3Å; M1870-I1873 PolarHBondContact O-N 3.47Å; I1873-N1875 VanDerWaalsContact C-N 3.29Å; I1873-N1875 PolarHBondContact O-N 2.83Å; I1873-L1876 PolarHBondContact O-N 3.07Å; I1873-L1877 HydrophobicContact CG2-CD1 3.87Å; I1873-L1877 HydrophobicContact CG2-CG 4.34Å; I1873-L1877 WeakPolarHBondContact O-CB 3.26Å; I1873-L1877 WeakPolarHBondContact O-CG 3.4Å; I1873-L1877 PolarHBondContact O-N 2.82Å; I1873-H2141 HydrophobicContact CD1-CB 3.81Å; I1873-H2141 HydrophobicContact CG1-CB 4.04Å; I1873-M2145 HydrophobicContact CD1-CG 3.37Å; I1873-M2145 HydrophobicContact CD1-SD 4.29Å |
| 1874 | E | 87.9 | Confident | 83.8 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 171.6 | -73.2 | 166.7 | 178.7 | 0 | 0 | 112 | M1870 Q1878 | M1870-E1874 WeakPolarHBondContact O-CB 3.27Å; M1870-E1874 WeakPolarHBondContact O-CG 3.31Å; M1870-E1874 PolarHBondContact O-N 2.96Å; E1874-Q1878 WeakPolarHBondContact O-CG 3.34Å; E1874-Q1878 PolarHBondContact O-N 2.65Å; E1874-Q1878 PolarHBondContact O-NE2 2.81Å |
| 1875 | N | 87.8 | Confident | 83.4 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -74.4 | -32.1 | 174.5 | -70.6 | -17.1 | 0 | 0 | 0 | 113.5 | L1871 H1872 I1873 Q1878 | L1871-N1875 WeakPolarHBondContact O-CB 3.45Å; L1871-N1875 PolarHBondContact O-N 2.73Å; L1871-N1875 PolarHBondContact O-ND2 3.38Å; H1872-N1875 CarbonylContact O-C 3.57Å; H1872-N1875 PolarHBondContact O-N 3.36Å; H1872-N1875 VanDerWaalsContact O-N 3.17Å; I1873-N1875 VanDerWaalsContact C-N 3.29Å; I1873-N1875 PolarHBondContact O-N 2.83Å; N1875-Q1878 PolarHBondContact OD1-NE2 2.93Å |
| 1876 | L | 91.2 | Very high | 83.6 | Confident | 17 Ų | 17 | 79.2 Ų | 79.2 | 9% | 0.089 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -75.6 | -27.9 | 174.3 | -68.9 | -173.4 | 0 | 0 | 0 | 112.5 | H1872 I1873 T1886 G1887 M1888 E1891 | H1872-L1876 WeakPolarHBondContact NE2-CD1 3.49Å; H1872-L1876 WeakPolarHBondContact O-CG 3.34Å; H1872-L1876 PolarHBondContact O-N 3.26Å; I1873-L1876 PolarHBondContact O-N 3.07Å; L1876-T1886 WeakPolarHBondContact O-CB 3.39Å; L1876-G1887 CarbonylContact O-C 3.6Å; L1876-G1887 WeakPolarHBondContact O-CA 3.22Å; L1876-G1887 PolarHBondContact O-N 2.79Å; L1876-M1888 HydrophobicContact CB-CB 4.32Å; L1876-M1888 HydrophobicContact CB-CE 3.98Å; L1876-M1888 HydrophobicContact CD1-CE 3.38Å; L1876-M1888 HydrophobicContact CG-CE 4.33Å; L1876-M1888 PolarHBondContact O-N 2.86Å; L1876-E1891 WeakPolarHBondContact CD1-OE1 3.28Å; L1876-E1891 HydrophobicContact CD2-CG 4.47Å |
| 1877 | L | 90.4 | Very high | 83.6 | Confident | 85 Ų | 85 | 78 Ų | 78 | 45% | 0.445 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -82.5 | -12.3 | 174.2 | -68.7 | 173.3 | 0 | 0 | 0 | 113.4 | I1873 | I1873-L1877 HydrophobicContact CG2-CD1 3.87Å; I1873-L1877 HydrophobicContact CG2-CG 4.34Å; I1873-L1877 WeakPolarHBondContact O-CB 3.26Å; I1873-L1877 WeakPolarHBondContact O-CG 3.4Å; I1873-L1877 PolarHBondContact O-N 2.82Å |
| 1878 | Q | 84 | Confident | 84.1 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -67.2 | 135 | 169.7 | -80.3 | 160.8 | 59.3 | 0 | 0 | 110.9 | E1874 N1875 | E1874-Q1878 WeakPolarHBondContact O-CG 3.34Å; E1874-Q1878 PolarHBondContact O-N 2.65Å; E1874-Q1878 PolarHBondContact O-NE2 2.81Å; N1875-Q1878 PolarHBondContact OD1-NE2 2.93Å |
| 1879 | Y | 83.5 | Confident | 84.3 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124 | 174.9 | 176.1 | -96.6 | 0 | 0 | 0 | 110.4 | A1881 N1884 | Y1879-A1881 HydrophobicContact CE1-CB 4.39Å; Y1879-N1884 PolarHBondContact OH-OD1 2.97Å |
| 1880 | Q | 77.8 | Confident | 84.3 | Confident | 83 Ų | 83 | 71.3 Ų | 71.3 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 102.9 | -176.5 | -61.5 | -173.5 | 6.3 | 0 | 0 | 109.5 | M1882 E1883 N1884 A1885 | Q1880-M1882 PolarHBondContact O-N 3.1Å; Q1880-M1882 VanDerWaalsContact O-N 3.14Å; Q1880-E1883 HydrophobicContact CB-CB 4.41Å; Q1880-E1883 PolarHBondContact O-N 2.91Å; Q1880-N1884 PolarHBondContact O-N 3.25Å; Q1880-N1884 VanDerWaalsContact O-N 3.15Å; Q1880-A1885 PolarHBondContact N-O 3.19Å |
| 1881 | A | 64.9 | Low | 84.5 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 70% | 0.702 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1879 | Y1879-A1881 HydrophobicContact CE1-CB 4.39Š|
| 1882 | M | 67.4 | Low | 84.9 | Confident | 190 Ų | 190 | 64.2 Ų | 64.2 | 94% | 0.936 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -25.3 | 176.7 | -63.6 | -168 | -65.3 | 0 | 0 | 113.3 | Q1880 | Q1880-M1882 PolarHBondContact O-N 3.1Å; Q1880-M1882 VanDerWaalsContact O-N 3.14Å |
| 1883 | E | 73.1 | Confident | 84.9 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 51% | 0.514 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -6.6 | -174.4 | -68.3 | -65.7 | 158 | 0 | 0 | 113.4 | Q1880 A1885 L1890 | Q1880-E1883 HydrophobicContact CB-CB 4.41Å; Q1880-E1883 PolarHBondContact O-N 2.91Å; E1883-A1885 VanDerWaalsContact C-N 3.31Å; E1883-A1885 PolarHBondContact O-N 2.93Å; E1883-L1890 HydrophobicContact CB-CD1 3.76Å; E1883-L1890 HydrophobicContact CB-CD2 4.09Å; E1883-L1890 HydrophobicContact CB-CG 4.5Å; E1883-L1890 HydrophobicContact CG-CD1 3.9Å |
| 1884 | N | 82.9 | Confident | 84.8 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 60% | 0.599 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 51.1 | -176 | -169.8 | 21.2 | 0 | 0 | 0 | 112.5 | Y1879 Q1880 R1893 | Y1879-N1884 PolarHBondContact OH-OD1 2.97Å; Q1880-N1884 PolarHBondContact O-N 3.25Å; Q1880-N1884 VanDerWaalsContact O-N 3.15Å; N1884-R1893 PolarHBondContact O-NH2 2.95Å |
| 1885 | A | 82.2 | Confident | 85 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 168.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1880 E1883 E1889 L1890 | Q1880-A1885 PolarHBondContact N-O 3.19Å; E1883-A1885 VanDerWaalsContact C-N 3.31Å; E1883-A1885 PolarHBondContact O-N 2.93Å; A1885-E1889 WeakPolarHBondContact CA-OE2 3.09Å; A1885-E1889 HydrophobicContact CB-CB 4.43Å; A1885-L1890 HydrophobicContact CB-CD1 4.2Å; A1885-L1890 HydrophobicContact CB-CD2 3.72Å; A1885-L1890 HydrophobicContact CB-CG 3.67Å |
| 1886 | T | 89.8 | Confident | 84.9 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 159.2 | 159.2 | 68.6 | 0 | 0 | 0 | 0 | 110.2 | L1876 M1888 E1889 L1890 | L1876-T1886 WeakPolarHBondContact O-CB 3.39Å; T1886-M1888 PolarHBondContact O-N 3.36Å; T1886-E1889 PolarHBondContact O-N 2.7Å; T1886-E1889 VanDerWaalsContact O-N 3.15Å; T1886-E1889 PolarHBondContact OG1-N 2.94Å; T1886-E1889 VanDerWaalsContact OG1-N 3.15Å; T1886-L1890 WeakPolarHBondContact O-CG 3.42Å; T1886-L1890 PolarHBondContact O-N 2.89Å |
| 1887 | G | 85.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.2 | -35.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1876 E1889 L1890 E1891 | L1876-G1887 CarbonylContact O-C 3.6Å; L1876-G1887 WeakPolarHBondContact O-CA 3.22Å; L1876-G1887 PolarHBondContact O-N 2.79Å; G1887-E1889 VanDerWaalsContact C-N 3.35Å; G1887-L1890 PolarHBondContact O-N 2.76Å; G1887-E1891 PolarHBondContact O-N 2.8Å |
| 1888 | M | 91.9 | Very high | 84 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.6 | -174.7 | 99.3 | -50 | 0 | 0 | 111.5 | L1876 T1886 F1892 Y2137 H2138 H2141 | L1876-M1888 HydrophobicContact CB-CB 4.32Å; L1876-M1888 HydrophobicContact CB-CE 3.98Å; L1876-M1888 HydrophobicContact CD1-CE 3.38Å; L1876-M1888 HydrophobicContact CG-CE 4.33Å; L1876-M1888 PolarHBondContact O-N 2.86Å; T1886-M1888 PolarHBondContact O-N 3.36Å; M1888-F1892 PolarHBondContact O-N 3.22Å; M1888-F1892 VanDerWaalsContact O-N 3.17Å; M1888-Y2137 HydrophobicContact CE-CD1 4.12Å; M1888-Y2137 HydrophobicContact CE-CE1 3.9Å; M1888-Y2137 HydrophobicContact CG-CD1 4.39Å; M1888-Y2137 HydrophobicContact SD-CD1 4.22Å; M1888-H2138 HydrophobicContact CG-CB 4.16Å; M1888-H2138 VanDerWaalsContact SD-CA 3.52Å; M1888-H2138 HydrophobicContact SD-CB 3.67Å; M1888-H2141 VanDerWaalsContact CE-CE1 3.47Å; M1888-H2141 WeakPolarHBondContact CE-CE1 3.45Å; M1888-H2141 WeakPolarHBondContact CE-ND1 3.3Å |
| 1889 | E | 89.6 | Confident | 83.4 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 177.4 | -168.3 | -170.5 | 171.4 | 0 | 0 | 110.9 | A1885 T1886 G1887 F1892 R1893 | A1885-E1889 WeakPolarHBondContact CA-OE2 3.09Å; A1885-E1889 HydrophobicContact CB-CB 4.43Å; T1886-E1889 PolarHBondContact O-N 2.7Å; T1886-E1889 VanDerWaalsContact O-N 3.15Å; T1886-E1889 PolarHBondContact OG1-N 2.94Å; T1886-E1889 VanDerWaalsContact OG1-N 3.15Å; G1887-E1889 VanDerWaalsContact C-N 3.35Å; E1889-F1892 PolarHBondContact O-N 2.66Å; E1889-R1893 VanDerWaalsContact CD-NE 3.33Å; E1889-R1893 HydrophobicContact CG-CG 4.23Å; E1889-R1893 WeakPolarHBondContact O-CB 3.38Å; E1889-R1893 VanDerWaalsContact O-CG 3.24Å; E1889-R1893 WeakPolarHBondContact O-CG 3.44Å; E1889-R1893 PolarHBondContact O-N 3.26Å; E1889-R1893 IonicContact OE1-CZ 2.83Å; E1889-R1893 IonicContact OE1-NE 2.69Å; E1889-R1893 PolarHBondContact OE1-NE 3.01Å; E1889-R1893 IonicContact OE1-NH2 3.63Å; E1889-R1893 PolarHBondContact OE1-NH2 2.79Å; E1889-R1893 IonicContact OE2-CZ 3.4Å; E1889-R1893 IonicContact OE2-NE 2.73Å; E1889-R1893 IonicContact OE2-NH2 2.74Å; E1889-R1893 PolarHBondContact OE2-NH2 2.8Å; E1889-R1893 VanDerWaalsContact OE2-NH2 3.15Å |
| 1890 | L | 88.4 | Confident | 83 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 178.2 | -68.2 | 169.2 | 0 | 0 | 0 | 112.6 | E1883 A1885 T1886 G1887 F1892 R1893 H1894 | E1883-L1890 HydrophobicContact CB-CD1 3.76Å; E1883-L1890 HydrophobicContact CB-CD2 4.09Å; E1883-L1890 HydrophobicContact CB-CG 4.5Å; E1883-L1890 HydrophobicContact CG-CD1 3.9Å; A1885-L1890 HydrophobicContact CB-CD1 4.2Å; A1885-L1890 HydrophobicContact CB-CD2 3.72Å; A1885-L1890 HydrophobicContact CB-CG 3.67Å; T1886-L1890 WeakPolarHBondContact O-CG 3.42Å; T1886-L1890 PolarHBondContact O-N 2.89Å; G1887-L1890 PolarHBondContact O-N 2.76Å; L1890-F1892 VanDerWaalsContact C-N 3.34Å; L1890-F1892 PolarHBondContact O-N 2.93Å; L1890-R1893 PolarHBondContact O-N 2.9Å; L1890-H1894 WeakPolarHBondContact O-CB 3.41Å; L1890-H1894 PolarHBondContact O-N 2.77Å |
| 1891 | E | 91.3 | Very high | 82.2 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.1 | -75.5 | -169.9 | 177.3 | 0 | 0 | 111.8 | H1872 L1876 G1887 H1894 L1895 F2117 Y2137 | H1872-E1891 IonicContact CE1-OE1 2.83Å; L1876-E1891 WeakPolarHBondContact CD1-OE1 3.28Å; L1876-E1891 HydrophobicContact CD2-CG 4.47Å; G1887-E1891 PolarHBondContact O-N 2.8Å; E1891-H1894 PolarHBondContact O-N 2.98Å; E1891-L1895 WeakPolarHBondContact O-CG 3.48Å; E1891-L1895 PolarHBondContact O-N 2.98Å; E1891-F2117 HydrophobicContact CB-CD2 4.35Å; E1891-Y2137 HydrophobicContact CB-CE1 3.79Å; E1891-Y2137 WeakPolarHBondContact OE2-CE1 3.43Å; E1891-Y2137 PolarHBondContact OE2-OH 2.93Å |
| 1892 | F | 93.9 | Very high | 82 | Confident | 26 Ų | 26 | 63.1 Ų | 63.1 | 11% | 0.114 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.8 | -35.7 | -179.7 | -172 | -98.4 | 0 | 0 | 0 | 113.2 | M1888 E1889 L1890 S1896 R2124 S2133 E2134 Y2137 | M1888-F1892 PolarHBondContact O-N 3.22Å; M1888-F1892 VanDerWaalsContact O-N 3.17Å; E1889-F1892 PolarHBondContact O-N 2.66Å; L1890-F1892 VanDerWaalsContact C-N 3.34Å; L1890-F1892 PolarHBondContact O-N 2.93Å; F1892-S1896 WeakPolarHBondContact O-CB 3.25Å; F1892-S1896 PolarHBondContact O-N 3.29Å; F1892-S1896 PolarHBondContact O-OG 3.3Å; F1892-R2124 VanDerWaalsContact CE2-NH2 3.28Å; F1892-S2133 VanDerWaalsContact CZ-CA 3.48Å; F1892-E2134 HydrophobicContact CB-CG 4.39Å; F1892-E2134 HydrophobicContact CD1-CB 3.96Å; F1892-E2134 HydrophobicContact CE1-CB 4.44Å; F1892-E2134 HydrophobicContact CG-CB 4.22Å; F1892-Y2137 HydrophobicContact CB-CD1 4.12Å; F1892-Y2137 HydrophobicContact CB-CG 4.46Å; F1892-Y2137 HydrophobicContact CD2-CD1 4.38Å; F1892-Y2137 HydrophobicContact CD2-CD2 4.32Å; F1892-Y2137 AromaticContact CD2-CG 3.88Å; F1892-Y2137 HydrophobicContact CD2-CG 3.88Å |
| 1893 | R | 90.5 | Very high | 82.2 | Confident | 106 Ų | 106 | 55.4 Ų | 55.4 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 168.7 | -74.7 | 171.3 | -177.5 | -176.3 | 8.6 | 109.3 | N1884 E1889 L1890 S1896 A1897 | N1884-R1893 PolarHBondContact O-NH2 2.95Å; E1889-R1893 VanDerWaalsContact CD-NE 3.33Å; E1889-R1893 HydrophobicContact CG-CG 4.23Å; E1889-R1893 WeakPolarHBondContact O-CB 3.38Å; E1889-R1893 VanDerWaalsContact O-CG 3.24Å; E1889-R1893 WeakPolarHBondContact O-CG 3.44Å; E1889-R1893 PolarHBondContact O-N 3.26Å; E1889-R1893 IonicContact OE1-CZ 2.83Å; E1889-R1893 IonicContact OE1-NE 2.69Å; E1889-R1893 PolarHBondContact OE1-NE 3.01Å; E1889-R1893 IonicContact OE1-NH2 3.63Å; E1889-R1893 PolarHBondContact OE1-NH2 2.79Å; E1889-R1893 IonicContact OE2-CZ 3.4Å; E1889-R1893 IonicContact OE2-NE 2.73Å; E1889-R1893 IonicContact OE2-NH2 2.74Å; E1889-R1893 PolarHBondContact OE2-NH2 2.8Å; E1889-R1893 VanDerWaalsContact OE2-NH2 3.15Å; L1890-R1893 PolarHBondContact O-N 2.9Å; R1893-S1896 CarbonylContact O-C 3.58Å; R1893-S1896 WeakPolarHBondContact O-CA 3.44Å; R1893-S1896 PolarHBondContact O-N 3.03Å; R1893-A1897 PolarHBondContact O-N 2.76Å; R1893-A1897 VanDerWaalsContact O-N 3.08Å |
| 1894 | H | 87.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 179.9 | -175.7 | 51.8 | 0 | 0 | 0 | 112.5 | Q1858 L1890 E1891 S1896 A1897 L1898 F2117 | Q1858-H1894 PolarHBondContact O-NE2 3.07Å; L1890-H1894 WeakPolarHBondContact O-CB 3.41Å; L1890-H1894 PolarHBondContact O-N 2.77Å; E1891-H1894 PolarHBondContact O-N 2.98Å; H1894-S1896 PolarHBondContact O-N 2.84Å; H1894-A1897 PolarHBondContact O-N 2.72Å; H1894-L1898 PolarHBondContact O-N 3.31Å; H1894-F2117 AromaticContact CD2-CE2 3.68Å; H1894-F2117 AromaticContact CD2-CZ 3.47Å; H1894-F2117 VanDerWaalsContact CD2-CZ 3.47Å; H1894-F2117 WeakPolarHBondContact CD2-CZ 3.44Å; H1894-F2117 AromaticContact NE2-CZ 3.99Å |
| 1895 | L | 90.8 | Very high | 82.9 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.8 | -25.8 | 172.3 | -78.2 | 172.6 | 0 | 0 | 0 | 113.6 | E1891 L1898 F2117 V2120 K2121 R2124 Y2137 | E1891-L1895 WeakPolarHBondContact O-CG 3.48Å; E1891-L1895 PolarHBondContact O-N 2.98Å; L1895-L1898 HydrophobicContact CD2-CD1 4.07Å; L1895-F2117 HydrophobicContact CD1-CD2 4.02Å; L1895-F2117 HydrophobicContact CD1-CE2 4.39Å; L1895-F2117 HydrophobicContact CD2-CD2 3.74Å; L1895-F2117 HydrophobicContact CD2-CE1 4.45Å; L1895-F2117 HydrophobicContact CD2-CE2 3.56Å; L1895-F2117 HydrophobicContact CD2-CG 4.26Å; L1895-F2117 HydrophobicContact CD2-CZ 3.92Å; L1895-F2117 HydrophobicContact CG-CD2 3.63Å; L1895-F2117 HydrophobicContact CG-CE2 3.5Å; L1895-F2117 HydrophobicContact CG-CZ 4.32Å; L1895-V2120 HydrophobicContact CD1-CB 4.11Å; L1895-V2120 HydrophobicContact CD1-CG1 3.89Å; L1895-V2120 HydrophobicContact CD2-CG1 4.48Å; L1895-K2121 HydrophobicContact CD2-CB 3.93Å; L1895-R2124 PolarHBondContact O-NH1 2.86Å; L1895-Y2137 HydrophobicContact CD1-CD2 3.87Å; L1895-Y2137 HydrophobicContact CD1-CE2 3.29Å |
| 1896 | S | 87.5 | Confident | 83.2 | Confident | 66 Ų | 66 | 55.2 Ų | 55.2 | 46% | 0.462 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -95.5 | -11.9 | -177.6 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | F1892 R1893 H1894 R2124 | F1892-S1896 WeakPolarHBondContact O-CB 3.25Å; F1892-S1896 PolarHBondContact O-N 3.29Å; F1892-S1896 PolarHBondContact O-OG 3.3Å; R1893-S1896 CarbonylContact O-C 3.58Å; R1893-S1896 WeakPolarHBondContact O-CA 3.44Å; R1893-S1896 PolarHBondContact O-N 3.03Å; H1894-S1896 PolarHBondContact O-N 2.84Å; S1896-R2124 VanDerWaalsContact CA-NH1 3.26Å; S1896-R2124 PolarHBondContact OG-NH1 2.81Å |
| 1897 | A | 82.6 | Confident | 83.3 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -86.4 | -19 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1893 H1894 K1899 | R1893-A1897 PolarHBondContact O-N 2.76Å; R1893-A1897 VanDerWaalsContact O-N 3.08Å; H1894-A1897 PolarHBondContact O-N 2.72Å; A1897-K1899 PolarHBondContact O-N 2.93Å |
| 1898 | L | 78.8 | Confident | 83.6 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | trans | -56.1 | 131.8 | -177.2 | -67.8 | 179.4 | 0 | 0 | 0 | 113.4 | H1894 L1895 F1900 K2121 | H1894-L1898 PolarHBondContact O-N 3.31Å; L1895-L1898 HydrophobicContact CD2-CD1 4.07Å; L1898-F1900 HydrophobicContact CB-CE2 4.43Å; L1898-F1900 HydrophobicContact CB-CZ 4.25Å; L1898-F1900 HydrophobicContact CD1-CZ 4.19Å; L1898-K2121 HydrophobicContact CD1-CB 4.44Å; L1898-K2121 HydrophobicContact CD1-CD 4.06Å; L1898-K2121 HydrophobicContact CD1-CG 3.74Å | ||
| 1899 | K | 71.8 | Confident | 83.5 | Confident | 187 Ų | 187 | 56.4 Ų | 56.4 | 81% | 0.813 | 29% | 0.294 | S | S | * | . | trans | -118.9 | 125.5 | 173 | -61.2 | 170.7 | -170 | 164.1 | 0 | 109.1 | A1897 | A1897-K1899 PolarHBondContact O-N 2.93Š| ||
| 1900 | F | 75.4 | Confident | 83.5 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | trans | -96.9 | 116.5 | 175.3 | -56.1 | -76.2 | 0 | 0 | 0 | 109.1 | H1771 L1898 N1902 A1903 R2124 A2125 | H1771-F1900 HydrophobicContact CB-CD1 4.44Å; H1771-F1900 AromaticContact CD2-CE1 3.81Å; H1771-F1900 AromaticContact CE1-CE1 3.77Å; H1771-F1900 AromaticContact CG-CD1 3.89Å; H1771-F1900 AromaticContact ND1-CD1 3.83Å; H1771-F1900 AromaticContact NE2-CE1 3.6Å; L1898-F1900 HydrophobicContact CB-CE2 4.43Å; L1898-F1900 HydrophobicContact CB-CZ 4.25Å; L1898-F1900 HydrophobicContact CD1-CZ 4.19Å; F1900-N1902 PolarHBondContact O-N 2.83Å; F1900-N1902 VanDerWaalsContact O-N 3.13Å; F1900-A1903 HydrophobicContact CB-CB 4.26Å; F1900-A1903 WeakPolarHBondContact O-CB 3.34Å; F1900-A1903 PolarHBondContact O-N 2.9Å; F1900-R2124 VanDerWaalsContact CE2-C 3.45Å; F1900-R2124 HydrophobicContact CE2-CB 3.98Å; F1900-R2124 WeakPolarHBondContact CE2-O 3.39Å; F1900-R2124 HydrophobicContact CZ-CB 4.18Å; F1900-A2125 HydrophobicContact CD1-CB 3.86Å; F1900-A2125 HydrophobicContact CE1-CB 3.58Å; F1900-A2125 HydrophobicContact CE2-CB 4.37Å; F1900-A2125 HydrophobicContact CG-CB 4.36Å; F1900-A2125 HydrophobicContact CZ-CB 3.87Å | ||
| 1901 | P | 60.5 | Low | 83.5 | Confident | 100 Ų | 100 | 56.1 Ų | 56.1 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32 | -170.3 | -28.6 | 36.1 | 0 | 0 | 0 | 114.8 | A1903 | P1901-A1903 VanDerWaalsContact C-N 3.31Å; P1901-A1903 PolarHBondContact O-N 3.37Å |
| 1902 | N | 61 | Low | 83.3 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 8.4 | -178.7 | -65.8 | -60.3 | 0 | 0 | 0 | 114.1 | E1770 F1900 K1904 | E1770-N1902 HydrophobicContact CB-CB 4.3Å; E1770-N1902 HydrophobicContact CG-CB 4.27Å; E1770-N1902 PolarHBondContact O-ND2 2.75Å; F1900-N1902 PolarHBondContact O-N 2.83Å; F1900-N1902 VanDerWaalsContact O-N 3.13Å; N1902-K1904 PolarHBondContact O-N 3.03Å |
| 1903 | A | 71.6 | Confident | 83.4 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 24% | 0.24 | 30% | 0.301 | C | S | . | . | trans | -68 | 63 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1900 P1901 Y1925 | F1900-A1903 HydrophobicContact CB-CB 4.26Å; F1900-A1903 WeakPolarHBondContact O-CB 3.34Å; F1900-A1903 PolarHBondContact O-N 2.9Å; P1901-A1903 VanDerWaalsContact C-N 3.31Å; P1901-A1903 PolarHBondContact O-N 3.37Å; A1903-Y1925 HydrophobicContact CB-CD1 3.78Å; A1903-Y1925 HydrophobicContact CB-CE1 3.4Å | ||
| 1904 | K | 82.8 | Confident | 83.4 | Confident | 113 Ų | 113 | 55.7 Ų | 55.7 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | trans | -75.6 | 133 | 174.5 | -65.5 | -172.5 | 174.3 | -170.3 | 0 | 110.8 | E170 N1902 Y1925 D1926 | E170-K1904 IonicContact OE1-NZ 2.73Å; E170-K1904 PolarHBondContact OE1-NZ 2.84Å; N1902-K1904 PolarHBondContact O-N 3.03Å; K1904-Y1925 CarbonylContact O-C 3.55Å; K1904-Y1925 WeakPolarHBondContact O-CA 3.37Å; K1904-D1926 VanDerWaalsContact C-OD2 3.3Å; K1904-D1926 HydrophobicContact CB-CB 4.27Å; K1904-D1926 WeakPolarHBondContact CB-OD2 3.46Å; K1904-D1926 PolarHBondContact O-N 3.18Å | ||
| 1905 | F | 88.7 | Confident | 83.6 | Confident | 76 Ų | 76 | 59.4 Ų | 59.4 | 33% | 0.333 | 33% | 0.325 | S | S | . | . | trans | -117.1 | 44.3 | 174.7 | -56.5 | -68.5 | 0 | 0 | 0 | 110.8 | N1909 V1923 Y1925 P2128 | F1905-N1909 PolarHBondContact O-ND2 2.86Å; F1905-V1923 HydrophobicContact CB-CG2 4.39Å; F1905-V1923 HydrophobicContact CD1-CG2 3.64Å; F1905-V1923 HydrophobicContact CE1-CG2 4.01Å; F1905-V1923 HydrophobicContact CG-CG2 4.16Å; F1905-Y1925 AromaticContact CD1-CD1 3.82Å; F1905-Y1925 HydrophobicContact CD1-CD1 3.82Å; F1905-Y1925 HydrophobicContact CD1-CE1 4.22Å; F1905-Y1925 AromaticContact CE1-CD1 3.31Å; F1905-Y1925 HydrophobicContact CE1-CD1 3.31Å; F1905-Y1925 AromaticContact CE1-CE1 3.29Å; F1905-Y1925 HydrophobicContact CE1-CE1 3.29Å; F1905-Y1925 HydrophobicContact CE1-CG 4.47Å; F1905-Y1925 HydrophobicContact CE2-CE1 4.31Å; F1905-Y1925 AromaticContact CZ-CD1 3.85Å; F1905-Y1925 HydrophobicContact CZ-CD1 3.85Å; F1905-Y1925 AromaticContact CZ-CE1 3.37Å; F1905-Y1925 HydrophobicContact CZ-CE1 3.37Å; F1905-P2128 HydrophobicContact CE1-CG 3.9Å; F1905-P2128 HydrophobicContact CZ-CB 4.38Å; F1905-P2128 HydrophobicContact CZ-CG 4.21Å | ||
| 1906 | T | 87.5 | Confident | 83.8 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 18% | 0.184 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -79.9 | 176.8 | 63.9 | 0 | 0 | 0 | 0 | 108.6 | Q168 A1908 N1909 D1926 | Q168-T1906 VanDerWaalsContact CD-C 3.49Å; Q168-T1906 PolarHBondContact NE2-O 3.47Å; Q168-T1906 VanDerWaalsContact OE1-CA 3.31Å; Q168-T1906 PolarHBondContact OE1-O 3.4Å; T1906-A1908 PolarHBondContact O-N 3.08Å; T1906-N1909 WeakPolarHBondContact O-CA 3.39Å; T1906-N1909 WeakPolarHBondContact O-CB 3.42Å; T1906-N1909 PolarHBondContact O-N 3.06Å; T1906-D1926 WeakPolarHBondContact CA-OD2 3.41Å; T1906-D1926 VanDerWaalsContact CB-OD2 3.29Å; T1906-D1926 WeakPolarHBondContact CB-OD2 3.36Å; T1906-D1926 PolarHBondContact N-OD1 3.48Å; T1906-D1926 PolarHBondContact N-OD2 3.41Å; T1906-D1926 PolarHBondContact OG1-OD1 2.95Å; T1906-D1926 PolarHBondContact OG1-OD2 3.48Å |
| 1907 | I | 91.8 | Very high | 84.2 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -55.2 | -34.1 | -157.9 | -48.2 | -63.1 | 0 | 0 | 0 | 113.3 | R155 N1909 L1910 N1913 D1926 Y1943 | R155-I1907 HydrophobicContact CG-CD1 3.19Å; I1907-N1909 VanDerWaalsContact C-N 3.34Å; I1907-N1909 PolarHBondContact O-N 3.31Å; I1907-L1910 HydrophobicContact CG2-CD1 4.09Å; I1907-L1910 WeakPolarHBondContact O-CB 3.4Å; I1907-L1910 PolarHBondContact O-N 2.8Å; I1907-N1913 PolarHBondContact O-ND2 3.16Å; I1907-D1926 WeakPolarHBondContact CG1-OD1 3.04Å; I1907-D1926 PolarHBondContact N-OD1 3.23Å; I1907-Y1943 HydrophobicContact CB-CD2 4.5Å; I1907-Y1943 HydrophobicContact CG2-CD2 3.96Å; I1907-Y1943 HydrophobicContact CG2-CG 4.46Å |
| 1908 | A | 92.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -64.8 | -31.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1906 L1910 N1917 V1923 P1924 Y1943 | T1906-A1908 PolarHBondContact O-N 3.08Å; A1908-L1910 VanDerWaalsContact C-N 3.3Å; A1908-L1910 PolarHBondContact O-N 2.87Å; A1908-N1917 PolarHBondContact O-ND2 3.04Å; A1908-V1923 HydrophobicContact CB-CB 3.6Å; A1908-V1923 HydrophobicContact CB-CG1 3.74Å; A1908-V1923 HydrophobicContact CB-CG2 4.37Å; A1908-P1924 HydrophobicContact CB-CG 4.44Å; A1908-Y1943 HydrophobicContact CB-CE2 3.68Å; A1908-Y1943 VanDerWaalsContact CB-OH 3.25Å; A1908-Y1943 WeakPolarHBondContact CB-OH 3.42Å |
| 1909 | N | 90.3 | Very high | 85.3 | Confident | 60 Ų | 60 | 59 Ų | 59 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -84.4 | 5.6 | -180 | -85.8 | -66.4 | 0 | 0 | 0 | 114 | Q168 F1905 T1906 I1907 K1914 | Q168-N1909 PolarHBondContact NE2-O 3.42Å; F1905-N1909 PolarHBondContact O-ND2 2.86Å; T1906-N1909 WeakPolarHBondContact O-CA 3.39Å; T1906-N1909 WeakPolarHBondContact O-CB 3.42Å; T1906-N1909 PolarHBondContact O-N 3.06Å; I1907-N1909 VanDerWaalsContact C-N 3.34Å; I1907-N1909 PolarHBondContact O-N 3.31Å; N1909-K1914 WeakPolarHBondContact O-CE 3.36Å |
| 1910 | L | 88.9 | Confident | 86 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -62.5 | 144.4 | 177.9 | -82.6 | 165.9 | 0 | 0 | 0 | 112 | Q167 Q168 I1907 A1908 C1912 N1913 K1914 | Q167-L1910 HydrophobicContact CB-CD1 3.83Å; Q167-L1910 HydrophobicContact CB-CD2 3.53Å; Q167-L1910 HydrophobicContact CB-CG 4.34Å; Q167-L1910 HydrophobicContact CG-CD2 4.34Å; Q168-L1910 HydrophobicContact CB-CD2 3.77Å; Q168-L1910 HydrophobicContact CB-CG 4.39Å; Q168-L1910 HydrophobicContact CG-CD2 3.45Å; Q168-L1910 VanDerWaalsContact CG-CD2 3.45Å; Q168-L1910 HydrophobicContact CG-CG 3.96Å; I1907-L1910 HydrophobicContact CG2-CD1 4.09Å; I1907-L1910 WeakPolarHBondContact O-CB 3.4Å; I1907-L1910 PolarHBondContact O-N 2.8Å; A1908-L1910 VanDerWaalsContact C-N 3.3Å; A1908-L1910 PolarHBondContact O-N 2.87Å; L1910-C1912 PolarHBondContact O-N 3.28Å; L1910-N1913 HydrophobicContact CB-CB 3.91Å; L1910-N1913 CarbonylContact O-C 3.58Å; L1910-N1913 WeakPolarHBondContact O-CA 3.36Å; L1910-N1913 PolarHBondContact O-N 2.82Å; L1910-K1914 WeakPolarHBondContact O-CG 3.44Å; L1910-K1914 PolarHBondContact O-N 2.74Å |
| 1911 | P | 87.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 59 Ų | 59 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -51.8 | -40.5 | 177 | -28.7 | 36.3 | 0 | 0 | 0 | 113.7 | ||
| 1912 | C | 88.4 | Confident | 87.7 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 29% | 0.291 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.9 | -27.9 | 174.5 | 61.1 | 0 | 0 | 0 | 0 | 114 | Q167 L1910 | Q167-C1912 PolarHBondContact NE2-SG 2.94Å; L1910-C1912 PolarHBondContact O-N 3.28Å |
| 1913 | N | 95.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -96.2 | -18.9 | -173.9 | -65.8 | -15.4 | 0 | 0 | 0 | 113.2 | I1907 L1910 L1915 K1916 N1917 G1940 Y1943 | I1907-N1913 PolarHBondContact O-ND2 3.16Å; L1910-N1913 HydrophobicContact CB-CB 3.91Å; L1910-N1913 CarbonylContact O-C 3.58Å; L1910-N1913 WeakPolarHBondContact O-CA 3.36Å; L1910-N1913 PolarHBondContact O-N 2.82Å; N1913-L1915 VanDerWaalsContact C-N 3.26Å; N1913-L1915 PolarHBondContact O-N 2.67Å; N1913-K1916 WeakPolarHBondContact O-CA 3.46Å; N1913-K1916 VanDerWaalsContact O-CB 3.31Å; N1913-K1916 WeakPolarHBondContact O-CB 3.37Å; N1913-K1916 PolarHBondContact O-N 2.96Å; N1913-N1917 PolarHBondContact O-ND2 3.19Å; N1913-G1940 WeakPolarHBondContact OD1-CA 3.29Å; N1913-G1940 PolarHBondContact OD1-O 2.76Å; N1913-Y1943 HydrophobicContact CB-CD1 3.54Å; N1913-Y1943 HydrophobicContact CB-CE1 3.9Å; N1913-Y1943 HydrophobicContact CB-CG 4.05Å; N1913-Y1943 VanDerWaalsContact CG-CD1 3.49Å; N1913-Y1943 VanDerWaalsContact ND2-CB 3.27Å; N1913-Y1943 WeakPolarHBondContact ND2-CB 3.23Å |
| 1914 | K | 90.7 | Very high | 90.4 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.6 | -41.5 | 174.6 | -79.5 | 179.5 | -179.6 | -176.7 | 0 | 112.2 | N1909 L1910 K1916 N1917 | N1909-K1914 WeakPolarHBondContact O-CE 3.36Å; L1910-K1914 WeakPolarHBondContact O-CG 3.44Å; L1910-K1914 PolarHBondContact O-N 2.74Å; K1914-K1916 PolarHBondContact O-N 3.21Å; K1914-N1917 PolarHBondContact O-N 3.3Å |
| 1915 | L | 91.5 | Very high | 90.9 | Very high | 134 Ų | 134 | 44.4 Ų | 44.4 | 70% | 0.702 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | 175.9 | -64.3 | 178.3 | 0 | 0 | 0 | 113.7 | N1913 M1965 N1967 | N1913-L1915 VanDerWaalsContact C-N 3.26Å; N1913-L1915 PolarHBondContact O-N 2.67Å; L1915-M1965 VanDerWaalsContact O-CE 3.23Å; L1915-M1965 WeakPolarHBondContact O-CE 3.22Å; L1915-N1967 PolarHBondContact O-ND2 2.66Å |
| 1916 | K | 96 | Very high | 90.9 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.2 | 174 | -59.9 | -175.3 | 170.9 | -162.9 | 0 | 112.9 | N1913 K1914 G1940 Y1943 Q1962 M1965 T1968 D1971 | N1913-K1916 WeakPolarHBondContact O-CA 3.46Å; N1913-K1916 VanDerWaalsContact O-CB 3.31Å; N1913-K1916 WeakPolarHBondContact O-CB 3.37Å; N1913-K1916 PolarHBondContact O-N 2.96Å; K1914-K1916 PolarHBondContact O-N 3.21Å; K1916-G1940 PolarHBondContact NZ-O 3.3Å; K1916-Y1943 HydrophobicContact CB-CD1 4.18Å; K1916-Y1943 HydrophobicContact CB-CE1 4.1Å; K1916-Y1943 HydrophobicContact CD-CD1 4.01Å; K1916-Y1943 PolarHBondContact NZ-O 3.09Å; K1916-Q1962 PolarHBondContact O-NE2 2.76Å; K1916-M1965 VanDerWaalsContact C-CE 3.42Å; K1916-M1965 WeakPolarHBondContact O-CE 3.31Å; K1916-T1968 HydrophobicContact CB-CG2 3.79Å; K1916-T1968 HydrophobicContact CD-CG2 4.39Å; K1916-T1968 HydrophobicContact CG-CG2 3.87Å; K1916-D1971 VanDerWaalsContact CE-OD2 3.27Å; K1916-D1971 WeakPolarHBondContact CE-OD2 3.27Å; K1916-D1971 IonicContact NZ-OD1 3.33Å; K1916-D1971 IonicContact NZ-OD2 2.75Å; K1916-D1971 PolarHBondContact NZ-OD2 3.36Å |
| 1917 | N | 96.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -106 | 121.4 | -179.7 | -57.3 | -35 | 0 | 0 | 0 | 111 | A1908 N1913 K1914 L1919 V1923 Y1943 | A1908-N1917 PolarHBondContact O-ND2 3.04Å; N1913-N1917 PolarHBondContact O-ND2 3.19Å; K1914-N1917 PolarHBondContact O-N 3.3Å; N1917-L1919 VanDerWaalsContact C-N 3.27Å; N1917-L1919 PolarHBondContact O-N 2.81Å; N1917-V1923 HydrophobicContact CB-CG1 4.3Å; N1917-Y1943 VanDerWaalsContact OD1-CE1 3.29Å; N1917-Y1943 WeakPolarHBondContact OD1-CE1 3.38Å; N1917-Y1943 PolarHBondContact OD1-OH 3.46Å | ||
| 1918 | R | 94.2 | Very high | 90.6 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.177 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -67.3 | -27.7 | 176.7 | -170.6 | 180 | -75 | -84.6 | 2.6 | 112.8 | G1963 P1964 M1965 E1996 K1997 S2089 | R1918-G1963 PolarHBondContact NE-O 2.81Å; R1918-G1963 VanDerWaalsContact NE-O 3.1Å; R1918-G1963 PolarHBondContact NH2-O 3.05Å; R1918-G1963 VanDerWaalsContact NH2-O 3.15Å; R1918-P1964 PolarHBondContact NH2-O 2.96Å; R1918-M1965 HydrophobicContact CB-CG 4.43Å; R1918-M1965 HydrophobicContact CB-SD 3.72Å; R1918-M1965 HydrophobicContact CG-SD 4.12Å; R1918-E1996 IonicContact CZ-OE1 4Å; R1918-E1996 VanDerWaalsContact CZ-OE1 3.23Å; R1918-E1996 IonicContact NH1-OE1 2.78Å; R1918-E1996 PolarHBondContact NH1-OE1 3.03Å; R1918-E1996 IonicContact NH2-OE1 2.73Å; R1918-E1996 PolarHBondContact NH2-OE1 3.4Å; R1918-K1997 PolarHBondContact NE-O 3.47Å; R1918-S2089 VanDerWaalsContact CD-O 3.3Å; R1918-S2089 WeakPolarHBondContact CD-O 3.44Å; R1918-S2089 WeakPolarHBondContact CD-OG 3.24Å |
| 1919 | L | 89.2 | Confident | 90.8 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -136.8 | 134.1 | 166.5 | -71.1 | -177.4 | 0 | 0 | 0 | 109.5 | N1917 N1921 V1922 T2090 | N1917-L1919 VanDerWaalsContact C-N 3.27Å; N1917-L1919 PolarHBondContact O-N 2.81Å; L1919-N1921 VanDerWaalsContact C-N 3.27Å; L1919-N1921 PolarHBondContact O-N 2.69Å; L1919-V1922 HydrophobicContact CB-CB 4.12Å; L1919-V1922 HydrophobicContact CB-CG2 4.07Å; L1919-V1922 HydrophobicContact CD1-CG2 3.93Å; L1919-V1922 PolarHBondContact O-N 3.44Å; L1919-T2090 HydrophobicContact CD1-CG2 3.47Å; L1919-T2090 VanDerWaalsContact CD1-CG2 3.47Å; L1919-T2090 HydrophobicContact CG-CG2 4.1Å |
| 1920 | V | 85.9 | Confident | 91.1 | Very high | 104 Ų | 104 | 43.7 Ų | 43.7 | 63% | 0.63 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22 | -177.2 | -63.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1921 | N | 83.1 | Confident | 91.3 | Very high | 107 Ų | 107 | 47.7 Ų | 47.7 | 57% | 0.572 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 6 | 177.3 | 67.3 | -30.3 | 0 | 0 | 0 | 113.7 | L1919 | L1919-N1921 VanDerWaalsContact C-N 3.27Å; L1919-N1921 PolarHBondContact O-N 2.69Å |
| 1922 | V | 90.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | trans | -125.3 | 83.9 | 176 | -173 | 0 | 0 | 0 | 0 | 108.8 | L1919 N1945 T2090 V2092 | L1919-V1922 HydrophobicContact CB-CB 4.12Å; L1919-V1922 HydrophobicContact CB-CG2 4.07Å; L1919-V1922 HydrophobicContact CD1-CG2 3.93Å; L1919-V1922 PolarHBondContact O-N 3.44Å; V1922-N1945 PolarHBondContact O-ND2 2.99Å; V1922-N1945 PolarHBondContact O-OD1 2.67Å; V1922-T2090 WeakPolarHBondContact CG1-O 3.42Å; V1922-V2092 HydrophobicContact CG1-CB 4.26Å; V1922-V2092 HydrophobicContact CG1-CG1 3.44Å; V1922-V2092 VanDerWaalsContact CG1-CG1 3.44Å; V1922-V2092 HydrophobicContact CG1-CG2 3.75Å | ||
| 1923 | V | 93.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | trans | -131.3 | 153.2 | -171.6 | -76.8 | 0 | 0 | 0 | 0 | 110.3 | F1905 A1908 N1917 P2128 | F1905-V1923 HydrophobicContact CB-CG2 4.39Å; F1905-V1923 HydrophobicContact CD1-CG2 3.64Å; F1905-V1923 HydrophobicContact CE1-CG2 4.01Å; F1905-V1923 HydrophobicContact CG-CG2 4.16Å; A1908-V1923 HydrophobicContact CB-CB 3.6Å; A1908-V1923 HydrophobicContact CB-CG1 3.74Å; A1908-V1923 HydrophobicContact CB-CG2 4.37Å; N1917-V1923 HydrophobicContact CB-CG1 4.3Å; V1923-P2128 VanDerWaalsContact O-CD 3.31Å; V1923-P2128 WeakPolarHBondContact O-CD 3.34Å; V1923-P2128 VanDerWaalsContact O-CG 3.23Å; V1923-P2128 WeakPolarHBondContact O-CG 3.28Å | ||
| 1924 | P | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | trans | -73.9 | 152.8 | 179.9 | 34.1 | -36.2 | 0 | 0 | 0 | 111.2 | A1908 R1929 Y1943 N1945 S1947 | A1908-P1924 HydrophobicContact CB-CG 4.44Å; P1924-R1929 HydrophobicContact CB-CB 3.84Å; P1924-R1929 HydrophobicContact CG-CB 3.93Å; P1924-Y1943 VanDerWaalsContact CD-OH 3.26Å; P1924-Y1943 WeakPolarHBondContact CD-OH 3.25Å; P1924-Y1943 HydrophobicContact CG-CE2 3.8Å; P1924-N1945 WeakPolarHBondContact CD-OD1 3.49Å; P1924-S1947 VanDerWaalsContact CB-OG 3.22Å; P1924-S1947 WeakPolarHBondContact CB-OG 3.45Å | ||
| 1925 | Y | 92.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | trans | -72 | 149.8 | 165.3 | -57.9 | -51.2 | 0 | 0 | 0 | 110.8 | A1903 K1904 F1905 S1927 S1928 R1929 R2124 A2125 Q2126 P2128 | A1903-Y1925 HydrophobicContact CB-CD1 3.78Å; A1903-Y1925 HydrophobicContact CB-CE1 3.4Å; K1904-Y1925 CarbonylContact O-C 3.55Å; K1904-Y1925 WeakPolarHBondContact O-CA 3.37Å; F1905-Y1925 AromaticContact CD1-CD1 3.82Å; F1905-Y1925 HydrophobicContact CD1-CD1 3.82Å; F1905-Y1925 HydrophobicContact CD1-CE1 4.22Å; F1905-Y1925 AromaticContact CE1-CD1 3.31Å; F1905-Y1925 HydrophobicContact CE1-CD1 3.31Å; F1905-Y1925 AromaticContact CE1-CE1 3.29Å; F1905-Y1925 HydrophobicContact CE1-CE1 3.29Å; F1905-Y1925 HydrophobicContact CE1-CG 4.47Å; F1905-Y1925 HydrophobicContact CE2-CE1 4.31Å; F1905-Y1925 AromaticContact CZ-CD1 3.85Å; F1905-Y1925 HydrophobicContact CZ-CD1 3.85Å; F1905-Y1925 AromaticContact CZ-CE1 3.37Å; F1905-Y1925 HydrophobicContact CZ-CE1 3.37Å; Y1925-S1927 VanDerWaalsContact C-N 3.26Å; Y1925-S1927 PolarHBondContact O-N 3.18Å; Y1925-S1928 PolarHBondContact O-N 2.99Å; Y1925-S1928 PolarHBondContact O-OG 2.94Å; Y1925-R1929 WeakPolarHBondContact O-CB 3.4Å; Y1925-R1929 PolarHBondContact O-N 3.21Å; Y1925-R2124 WeakPolarHBondContact CE2-O 3.18Å; Y1925-R2124 PolarHBondContact OH-O 2.87Å; Y1925-A2125 WeakPolarHBondContact CD2-O 3.48Å; Y1925-A2125 WeakPolarHBondContact CE2-O 3.49Å; Y1925-Q2126 WeakPolarHBondContact CD2-O 3.27Å; Y1925-P2128 HydrophobicContact CE1-CB 4.38Å; Y1925-P2128 HydrophobicContact CE1-CG 4.4Å | ||
| 1926 | D | 89 | Confident | 91 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.2 | -178.4 | -65.3 | -40.9 | 0 | 0 | 0 | 113.7 | K1904 T1906 I1907 | K1904-D1926 VanDerWaalsContact C-OD2 3.3Å; K1904-D1926 HydrophobicContact CB-CB 4.27Å; K1904-D1926 WeakPolarHBondContact CB-OD2 3.46Å; K1904-D1926 PolarHBondContact O-N 3.18Å; T1906-D1926 WeakPolarHBondContact CA-OD2 3.41Å; T1906-D1926 VanDerWaalsContact CB-OD2 3.29Å; T1906-D1926 WeakPolarHBondContact CB-OD2 3.36Å; T1906-D1926 PolarHBondContact N-OD1 3.48Å; T1906-D1926 PolarHBondContact N-OD2 3.41Å; T1906-D1926 PolarHBondContact OG1-OD1 2.95Å; T1906-D1926 PolarHBondContact OG1-OD2 3.48Å; I1907-D1926 WeakPolarHBondContact CG1-OD1 3.04Å; I1907-D1926 PolarHBondContact N-OD1 3.23Å |
| 1927 | S | 84.1 | Confident | 90.3 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -24.9 | 176.4 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | E1770 Y1925 | E1770-S1927 WeakPolarHBondContact OE1-CB 3.44Å; E1770-S1927 WeakPolarHBondContact OE2-CB 3.23Å; E1770-S1927 PolarHBondContact OE2-OG 2.79Å; Y1925-S1927 VanDerWaalsContact C-N 3.26Å; Y1925-S1927 PolarHBondContact O-N 3.18Å |
| 1928 | S | 90.5 | Very high | 89.7 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -17.2 | -176.9 | 73.7 | 0 | 0 | 0 | 0 | 115.2 | Y1925 S1947 F1948 Q2126 | Y1925-S1928 PolarHBondContact O-N 2.99Å; Y1925-S1928 PolarHBondContact O-OG 2.94Å; S1928-S1947 PolarHBondContact OG-OG 3.47Å; S1928-F1948 PolarHBondContact O-N 3.38Å; S1928-Q2126 WeakPolarHBondContact CB-O 3.46Å; S1928-Q2126 PolarHBondContact OG-O 3.27Å |
| 1929 | R | 94.8 | Very high | 89.3 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -55.1 | 148.9 | -173.6 | 71.1 | -175.4 | -174.2 | 109.3 | -9.9 | 113.8 | P1924 Y1925 D1942 A1946 | P1924-R1929 HydrophobicContact CB-CB 3.84Å; P1924-R1929 HydrophobicContact CG-CB 3.93Å; Y1925-R1929 WeakPolarHBondContact O-CB 3.4Å; Y1925-R1929 PolarHBondContact O-N 3.21Å; R1929-D1942 IonicContact CZ-OD2 2.85Å; R1929-D1942 IonicContact NH1-OD2 3.75Å; R1929-D1942 PolarHBondContact NH1-OD2 3.08Å; R1929-D1942 IonicContact NH2-OD2 3.72Å; R1929-A1946 CarbonylContact C-O 3.57Å; R1929-A1946 WeakPolarHBondContact CA-O 3.27Å |
| 1930 | V | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -74.8 | 134.4 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | I1944 A1946 F1948 V1959 M1975 H1979 | V1930-I1944 HydrophobicContact CB-CG2 4.35Å; V1930-A1946 HydrophobicContact CB-CB 4.09Å; V1930-A1946 HydrophobicContact CG2-CB 3.72Å; V1930-A1946 PolarHBondContact N-O 2.66Å; V1930-F1948 HydrophobicContact CB-CE2 4.3Å; V1930-F1948 HydrophobicContact CB-CZ 4.5Å; V1930-F1948 HydrophobicContact CG1-CE2 4.26Å; V1930-F1948 HydrophobicContact CG1-CZ 4.05Å; V1930-F1948 HydrophobicContact CG2-CD1 4.35Å; V1930-F1948 HydrophobicContact CG2-CD2 4.13Å; V1930-F1948 HydrophobicContact CG2-CE1 4.35Å; V1930-F1948 HydrophobicContact CG2-CE2 4.13Å; V1930-F1948 HydrophobicContact CG2-CG 4.25Å; V1930-F1948 HydrophobicContact CG2-CZ 4.25Å; V1930-V1959 HydrophobicContact CG2-CB 4.5Å; V1930-V1959 HydrophobicContact CG2-CG1 3.77Å; V1930-V1959 HydrophobicContact CG2-CG2 3.95Å; V1930-M1975 HydrophobicContact CB-SD 4.28Å; V1930-M1975 HydrophobicContact CG1-CG 3.7Å; V1930-M1975 HydrophobicContact CG1-SD 4.02Å; V1930-M1975 HydrophobicContact CG2-SD 4.33Å; V1930-H1979 VanDerWaalsContact CG1-CD2 3.42Å; V1930-H1979 WeakPolarHBondContact CG1-CD2 3.38Å; V1930-H1979 WeakPolarHBondContact CG1-NE2 3.39Å | ||
| 1931 | Y | 92 | Very high | 89.5 | Confident | 85 Ų | 85 | 43.7 Ų | 43.7 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | trans | -93.9 | 104.5 | -177 | -176.5 | -67.2 | 0 | 0 | 0 | 109.7 | T152 K154 H1979 | T152-Y1931 WeakPolarHBondContact O-CE2 3.38Å; T152-Y1931 PolarHBondContact O-OH 2.84Å; K154-Y1931 HydrophobicContact CD-CD2 3.55Å; K154-Y1931 HydrophobicContact CD-CE1 4.34Å; K154-Y1931 HydrophobicContact CD-CE2 3.3Å; K154-Y1931 HydrophobicContact CD-CG 4.16Å; K154-Y1931 VanDerWaalsContact CE-CD1 3.45Å; K154-Y1931 VanDerWaalsContact CE-CE1 3.41Å; K154-Y1931 HydrophobicContact CG-CE2 3.98Å; Y1931-H1979 PolarHBondContact O-CE1 3.45Å; Y1931-H1979 PolarHBondContact O-NE2 3.29Å | ||
| 1932 | L | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -82.6 | 146 | 162.6 | -47.2 | -174.9 | 0 | 0 | 0 | 111.1 | K154 D1942 I1944 D1971 M1975 | K154-L1932 WeakPolarHBondContact CE-O 3.44Å; K154-L1932 PolarHBondContact NZ-O 2.86Å; L1932-D1942 WeakPolarHBondContact CA-O 3.35Å; L1932-D1942 VanDerWaalsContact CB-O 3.22Å; L1932-D1942 WeakPolarHBondContact CB-O 3.33Å; L1932-D1942 PolarHBondContact N-O 2.93Å; L1932-I1944 HydrophobicContact CD1-CB 4.09Å; L1932-I1944 HydrophobicContact CD1-CG2 4.06Å; L1932-I1944 HydrophobicContact CD2-CG2 4.06Å; L1932-I1944 HydrophobicContact CG-CB 4.47Å; L1932-I1944 HydrophobicContact CG-CG2 3.92Å; L1932-D1971 HydrophobicContact CD1-CB 3.9Å; L1932-M1975 VanDerWaalsContact CD2-CA 3.49Å; L1932-M1975 HydrophobicContact CD2-CB 3.65Å; L1932-M1975 HydrophobicContact CD2-CG 3.93Å |
| 1933 | T | 91.4 | Very high | 90.4 | Very high | 76 Ų | 76 | 38.8 Ų | 38.8 | 47% | 0.466 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 122.6 | 173.2 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | I1935 R1974 E1978 | T1933-I1935 PolarHBondContact O-N 3.32Å; T1933-R1974 PolarHBondContact O-NH1 3.01Å; T1933-E1978 WeakPolarHBondContact CB-OE1 3.37Å; T1933-E1978 VanDerWaalsContact CB-OE2 3.29Å; T1933-E1978 WeakPolarHBondContact CB-OE2 3.44Å; T1933-E1978 PolarHBondContact N-OE2 2.81Å; T1933-E1978 PolarHBondContact OG1-OE1 3.26Å; T1933-E1978 PolarHBondContact OG1-OE2 2.81Å |
| 1934 | P | 91.6 | Very high | 90.5 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -58.2 | 129.9 | -179.8 | -27 | 36.3 | 0 | 0 | 0 | 112.2 | K154 D1942 | K154-P1934 HydrophobicContact CG-CG 4.03Å; P1934-D1942 HydrophobicContact CG-CB 4.34Å |
| 1935 | I | 87.5 | Confident | 90.7 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -79.4 | 123.5 | 168.4 | -58.8 | 176.2 | 0 | 0 | 0 | 106.7 | T1933 S1937 V1938 S1941 | T1933-I1935 PolarHBondContact O-N 3.32Å; I1935-S1937 PolarHBondContact O-N 2.82Å; I1935-V1938 HydrophobicContact CB-CB 4.34Å; I1935-V1938 HydrophobicContact CB-CG2 4.4Å; I1935-V1938 HydrophobicContact CG2-CB 4.49Å; I1935-V1938 HydrophobicContact CG2-CG2 4.01Å; I1935-V1938 PolarHBondContact O-N 2.77Å; I1935-V1938 VanDerWaalsContact O-N 3.13Å; I1935-S1941 PolarHBondContact N-OG 2.93Å; I1935-S1941 PolarHBondContact O-OG 2.72Å |
| 1936 | P | 80.9 | Confident | 90.9 | Very high | 109 Ų | 109 | 38.1 Ų | 38.1 | 71% | 0.708 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 139.7 | 179.5 | -28.6 | 36 | 0 | 0 | 0 | 112.4 | V1938 | P1936-V1938 PolarHBondContact O-N 2.94Š|
| 1937 | S | 82.4 | Confident | 91.3 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 55% | 0.545 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 5.9 | -176 | 68.4 | 0 | 0 | 0 | 0 | 118 | I1935 | I1935-S1937 PolarHBondContact O-N 2.82Š|
| 1938 | V | 83.5 | Confident | 92 | Very high | 75 Ų | 75 | 34.1 Ų | 34.1 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | trans | -113.7 | 96.6 | 176.1 | -172 | 0 | 0 | 0 | 0 | 110.5 | I1935 P1936 S1941 | I1935-V1938 HydrophobicContact CB-CB 4.34Å; I1935-V1938 HydrophobicContact CB-CG2 4.4Å; I1935-V1938 HydrophobicContact CG2-CB 4.49Å; I1935-V1938 HydrophobicContact CG2-CG2 4.01Å; I1935-V1938 PolarHBondContact O-N 2.77Å; I1935-V1938 VanDerWaalsContact O-N 3.13Å; P1936-V1938 PolarHBondContact O-N 2.94Å; V1938-S1941 WeakPolarHBondContact O-CB 3.39Å; V1938-S1941 PolarHBondContact O-N 3.06Å; V1938-S1941 VanDerWaalsContact O-N 3.16Å; V1938-S1941 PolarHBondContact O-OG 2.65Å | ||
| 1939 | E | 84.5 | Confident | 92.2 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 38% | 0.379 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 137.5 | 167.3 | -92.3 | -178.2 | 103.6 | 0 | 0 | 110.8 | S125 V165 Q167 S1941 | S125-E1939 PolarHBondContact OG-OE1 2.8Å; V165-E1939 HydrophobicContact CG1-CG 4.35Å; V165-E1939 WeakPolarHBondContact CG1-OE1 3.38Å; Q167-E1939 HydrophobicContact CG-CG 3.88Å; Q167-E1939 WeakPolarHBondContact CG-OE1 3.28Å; Q167-E1939 VanDerWaalsContact NE2-CD 3.33Å; Q167-E1939 PolarHBondContact NE2-OE1 2.88Å; E1939-S1941 PolarHBondContact O-N 2.8Å |
| 1940 | G | 87.2 | Confident | 92.1 | Very high | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 0.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q167 N1913 K1916 D1942 Y1943 | Q167-G1940 VanDerWaalsContact OE1-N 3.1Å; N1913-G1940 WeakPolarHBondContact OD1-CA 3.29Å; N1913-G1940 PolarHBondContact OD1-O 2.76Å; K1916-G1940 PolarHBondContact NZ-O 3.3Å; G1940-D1942 PolarHBondContact O-N 3.04Å; G1940-D1942 VanDerWaalsContact O-N 3.08Å; G1940-Y1943 PolarHBondContact O-N 3.45Å |
| 1941 | S | 92.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.2 | 170.2 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | I1935 V1938 E1939 Y1943 R1974 | I1935-S1941 PolarHBondContact N-OG 2.93Å; I1935-S1941 PolarHBondContact O-OG 2.72Å; V1938-S1941 WeakPolarHBondContact O-CB 3.39Å; V1938-S1941 PolarHBondContact O-N 3.06Å; V1938-S1941 VanDerWaalsContact O-N 3.16Å; V1938-S1941 PolarHBondContact O-OG 2.65Å; E1939-S1941 PolarHBondContact O-N 2.8Å; S1941-Y1943 VanDerWaalsContact C-N 3.33Å; S1941-R1974 VanDerWaalsContact O-CZ 3.32Å; S1941-R1974 PolarHBondContact O-NH1 2.87Å; S1941-R1974 PolarHBondContact O-NH2 2.78Å |
| 1942 | D | 94.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -26.4 | 174 | 93.7 | -80 | 0 | 0 | 0 | 112.9 | K154 R1929 L1932 P1934 G1940 | K154-D1942 HydrophobicContact CB-CB 3.66Å; K154-D1942 VanDerWaalsContact CB-CG 3.45Å; K154-D1942 WeakPolarHBondContact CB-OD2 3.44Å; K154-D1942 HydrophobicContact CD-CB 3.81Å; K154-D1942 WeakPolarHBondContact CD-OD2 3.42Å; K154-D1942 WeakPolarHBondContact CE-OD2 3.19Å; K154-D1942 HydrophobicContact CG-CB 3.63Å; K154-D1942 VanDerWaalsContact NZ-CB 3.32Å; K154-D1942 PolarHBondContact NZ-O 2.96Å; K154-D1942 IonicContact NZ-OD2 3.17Å; K154-D1942 PolarHBondContact NZ-OD2 2.82Å; R1929-D1942 IonicContact CZ-OD2 2.85Å; R1929-D1942 IonicContact NH1-OD2 3.75Å; R1929-D1942 PolarHBondContact NH1-OD2 3.08Å; R1929-D1942 IonicContact NH2-OD2 3.72Å; L1932-D1942 WeakPolarHBondContact CA-O 3.35Å; L1932-D1942 VanDerWaalsContact CB-O 3.22Å; L1932-D1942 WeakPolarHBondContact CB-O 3.33Å; L1932-D1942 PolarHBondContact N-O 2.93Å; P1934-D1942 HydrophobicContact CG-CB 4.34Å; G1940-D1942 PolarHBondContact O-N 3.04Å; G1940-D1942 VanDerWaalsContact O-N 3.08Å |
| 1943 | Y | 97.5 | Very high | 91 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | trans | -105.2 | 139.8 | -159.4 | 173.1 | -92.7 | 0 | 0 | 0 | 113 | I1907 A1908 N1913 K1916 N1917 P1924 G1940 S1941 | I1907-Y1943 HydrophobicContact CB-CD2 4.5Å; I1907-Y1943 HydrophobicContact CG2-CD2 3.96Å; I1907-Y1943 HydrophobicContact CG2-CG 4.46Å; A1908-Y1943 HydrophobicContact CB-CE2 3.68Å; A1908-Y1943 VanDerWaalsContact CB-OH 3.25Å; A1908-Y1943 WeakPolarHBondContact CB-OH 3.42Å; N1913-Y1943 HydrophobicContact CB-CD1 3.54Å; N1913-Y1943 HydrophobicContact CB-CE1 3.9Å; N1913-Y1943 HydrophobicContact CB-CG 4.05Å; N1913-Y1943 VanDerWaalsContact CG-CD1 3.49Å; N1913-Y1943 VanDerWaalsContact ND2-CB 3.27Å; N1913-Y1943 WeakPolarHBondContact ND2-CB 3.23Å; K1916-Y1943 HydrophobicContact CB-CD1 4.18Å; K1916-Y1943 HydrophobicContact CB-CE1 4.1Å; K1916-Y1943 HydrophobicContact CD-CD1 4.01Å; K1916-Y1943 PolarHBondContact NZ-O 3.09Å; N1917-Y1943 VanDerWaalsContact OD1-CE1 3.29Å; N1917-Y1943 WeakPolarHBondContact OD1-CE1 3.38Å; N1917-Y1943 PolarHBondContact OD1-OH 3.46Å; P1924-Y1943 VanDerWaalsContact CD-OH 3.26Å; P1924-Y1943 WeakPolarHBondContact CD-OH 3.25Å; P1924-Y1943 HydrophobicContact CG-CE2 3.8Å; G1940-Y1943 PolarHBondContact O-N 3.45Å; S1941-Y1943 VanDerWaalsContact C-N 3.33Å | ||
| 1944 | I | 97.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | trans | -139.8 | 146.9 | 166.6 | -176.1 | 163.8 | 0 | 0 | 0 | 108.3 | V1930 L1932 A1946 D1971 F1972 M1975 | V1930-I1944 HydrophobicContact CB-CG2 4.35Å; L1932-I1944 HydrophobicContact CD1-CB 4.09Å; L1932-I1944 HydrophobicContact CD1-CG2 4.06Å; L1932-I1944 HydrophobicContact CD2-CG2 4.06Å; L1932-I1944 HydrophobicContact CG-CB 4.47Å; L1932-I1944 HydrophobicContact CG-CG2 3.92Å; I1944-A1946 HydrophobicContact CG2-CB 4.1Å; I1944-A1946 PolarHBondContact O-N 2.91Å; I1944-D1971 HydrophobicContact CD1-CB 4.24Å; I1944-F1972 HydrophobicContact CD1-CB 4.18Å; I1944-M1975 HydrophobicContact CD1-CB 4.29Å; I1944-M1975 HydrophobicContact CD1-SD 3.97Å; I1944-M1975 HydrophobicContact CG2-CG 4.46Å; I1944-M1975 HydrophobicContact CG2-SD 3.98Å | ||
| 1945 | N | 97.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -76.3 | 71.6 | 176.8 | -175.4 | -3.2 | 0 | 0 | 0 | 111.5 | V1922 P1924 T1961 Q1962 R2127 | V1922-N1945 PolarHBondContact O-ND2 2.99Å; V1922-N1945 PolarHBondContact O-OD1 2.67Å; P1924-N1945 WeakPolarHBondContact CD-OD1 3.49Å; N1945-T1961 WeakPolarHBondContact O-CA 3.44Å; N1945-T1961 PolarHBondContact O-OG1 3.18Å; N1945-Q1962 HydrophobicContact CB-CG 4.11Å; N1945-Q1962 PolarHBondContact ND2-OE1 2.92Å; N1945-Q1962 PolarHBondContact O-N 3.43Å; N1945-R2127 PolarHBondContact OD1-NH1 3.47Å; N1945-R2127 VanDerWaalsContact OD1-NH1 3.09Å; N1945-R2127 PolarHBondContact OD1-NH2 3.49Å |
| 1946 | A | 98.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1929 V1930 I1944 V1959 A1960 M1975 | R1929-A1946 CarbonylContact C-O 3.57Å; R1929-A1946 WeakPolarHBondContact CA-O 3.27Å; V1930-A1946 HydrophobicContact CB-CB 4.09Å; V1930-A1946 HydrophobicContact CG2-CB 3.72Å; V1930-A1946 PolarHBondContact N-O 2.66Å; I1944-A1946 HydrophobicContact CG2-CB 4.1Å; I1944-A1946 PolarHBondContact O-N 2.91Å; A1946-V1959 HydrophobicContact CB-CG1 3.86Å; A1946-A1960 CarbonylContact C-O 3.6Å; A1946-A1960 WeakPolarHBondContact CA-O 3.31Å; A1946-M1975 HydrophobicContact CB-SD 3.68Å |
| 1947 | S | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139 | 171.5 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | P1924 S1928 V1959 A1960 R2127 | P1924-S1947 VanDerWaalsContact CB-OG 3.22Å; P1924-S1947 WeakPolarHBondContact CB-OG 3.45Å; S1928-S1947 PolarHBondContact OG-OG 3.47Å; S1947-V1959 CarbonylContact O-C 3.5Å; S1947-V1959 WeakPolarHBondContact O-CA 3.39Å; S1947-A1960 PolarHBondContact N-O 3.44Å; S1947-A1960 PolarHBondContact O-N 3.11Å; S1947-R2127 PolarHBondContact OG-NH1 2.88Å |
| 1948 | F | 96.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 10% | 0.096 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 142.1 | 156.8 | -68.9 | -70.1 | 0 | 0 | 0 | 109.6 | S1928 V1930 K1956 V1959 H1979 P2083 | S1928-F1948 PolarHBondContact O-N 3.38Å; V1930-F1948 HydrophobicContact CB-CE2 4.3Å; V1930-F1948 HydrophobicContact CB-CZ 4.5Å; V1930-F1948 HydrophobicContact CG1-CE2 4.26Å; V1930-F1948 HydrophobicContact CG1-CZ 4.05Å; V1930-F1948 HydrophobicContact CG2-CD1 4.35Å; V1930-F1948 HydrophobicContact CG2-CD2 4.13Å; V1930-F1948 HydrophobicContact CG2-CE1 4.35Å; V1930-F1948 HydrophobicContact CG2-CE2 4.13Å; V1930-F1948 HydrophobicContact CG2-CG 4.25Å; V1930-F1948 HydrophobicContact CG2-CZ 4.25Å; F1948-K1956 HydrophobicContact CB-CB 4.23Å; F1948-K1956 HydrophobicContact CB-CD 4.23Å; F1948-K1956 HydrophobicContact CB-CG 3.94Å; F1948-K1956 HydrophobicContact CD1-CB 3.75Å; F1948-K1956 HydrophobicContact CD1-CD 3.89Å; F1948-K1956 HydrophobicContact CD1-CG 4.05Å; F1948-K1956 HydrophobicContact CD2-CD 4.07Å; F1948-K1956 HydrophobicContact CE1-CB 4.39Å; F1948-K1956 HydrophobicContact CE1-CD 4.19Å; F1948-K1956 HydrophobicContact CE2-CD 4.35Å; F1948-K1956 HydrophobicContact CG-CB 4.18Å; F1948-K1956 HydrophobicContact CG-CD 3.81Å; F1948-K1956 HydrophobicContact CG-CG 4Å; F1948-K1956 HydrophobicContact CZ-CD 4.4Å; F1948-V1959 HydrophobicContact CD1-CG2 3.7Å; F1948-V1959 HydrophobicContact CE1-CG2 3.9Å; F1948-H1979 AromaticContact CZ-CE1 3.96Å; F1948-H1979 AromaticContact CZ-ND1 3.52Å; F1948-P2083 HydrophobicContact CE1-CG 4.35Å |
| 1949 | I | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.5 | 175.7 | -54.7 | -67.2 | 0 | 0 | 0 | 108.4 | K1956 M1957 Y1958 A1960 I2099 L2123 Q2126 R2127 M2130 | I1949-K1956 CarbonylContact O-C 3.55Å; I1949-M1957 PolarHBondContact O-N 3.08Å; I1949-M1957 VanDerWaalsContact O-N 3.17Å; I1949-Y1958 PolarHBondContact N-O 2.66Å; I1949-Y1958 PolarHBondContact O-N 3.2Å; I1949-A1960 HydrophobicContact CD1-CB 4.19Å; I1949-A1960 HydrophobicContact CG1-CB 3.63Å; I1949-I2099 HydrophobicContact CG1-CD1 4.42Å; I1949-I2099 HydrophobicContact CG2-CG2 3.97Å; I1949-L2123 HydrophobicContact CG2-CD2 3.31Å; I1949-Q2126 HydrophobicContact CD1-CB 3.72Å; I1949-R2127 HydrophobicContact CD1-CB 3.89Å; I1949-M2130 HydrophobicContact CD1-CE 4.2Å; I1949-M2130 HydrophobicContact CG1-CE 4.35Å |
| 1950 | D | 92.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | trans | -68.4 | 135.8 | 172.5 | -67.5 | -15.9 | 0 | 0 | 0 | 110.2 | A1735 Y1736 R1955 K1956 | A1735-D1950 HydrophobicContact CB-CB 4.41Å; Y1736-D1950 HydrophobicContact CE1-CB 4.2Å; Y1736-D1950 WeakPolarHBondContact CE1-OD2 3.33Å; D1950-R1955 WeakPolarHBondContact OD1-CA 3.48Å; D1950-R1955 VanDerWaalsContact OD1-CB 3.29Å; D1950-R1955 WeakPolarHBondContact OD1-CB 3.5Å; D1950-R1955 IonicContact OD1-NE 2.57Å; D1950-R1955 IonicContact OD2-CZ 2.66Å; D1950-R1955 IonicContact OD2-NE 3.63Å; D1950-R1955 PolarHBondContact OD2-NE 2.81Å; D1950-R1955 IonicContact OD2-NH2 3.7Å; D1950-R1955 PolarHBondContact OD2-NH2 3.22Å; D1950-K1956 PolarHBondContact OD1-N 2.96Å | ||
| 1951 | G | 90.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 4% | 0.041 | 10% | 0.101 | C | C | . | . | trans | -89.8 | -163 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1735 Q1954 | A1735-G1951 WeakPolarHBondContact CB-O 3.35Å; G1951-Q1954 PolarHBondContact N-O 2.84Å | ||
| 1952 | Y | 87.6 | Confident | 94.3 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 8% | 0.078 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -74 | -53.7 | 174.4 | 174.5 | -123.4 | 0 | 0 | 0 | 111.8 | F1734 A1735 E2106 R2107 F2110 E2111 | F1734-Y1952 HydrophobicContact CD1-CE1 4.3Å; F1734-Y1952 AromaticContact CD1-CE2 3.97Å; F1734-Y1952 HydrophobicContact CD1-CE2 3.97Å; F1734-Y1952 AromaticContact CD1-CZ 3.81Å; F1734-Y1952 HydrophobicContact CE1-CE1 4.29Å; F1734-Y1952 HydrophobicContact CE1-CE2 4.29Å; F1734-Y1952 AromaticContact CE1-CZ 3.75Å; F1734-Y1952 WeakPolarHBondContact CE1-OH 3.35Å; A1735-Y1952 WeakPolarHBondContact CB-O 3.44Å; A1735-Y1952 PolarHBondContact N-O 2.69Å; Y1952-E2106 HydrophobicContact CD1-CB 3.55Å; Y1952-E2106 WeakPolarHBondContact CD1-OE2 3.39Å; Y1952-E2106 HydrophobicContact CE1-CB 4.19Å; Y1952-E2106 HydrophobicContact CG-CB 4.24Å; Y1952-R2107 HydrophobicContact CD2-CG 3.75Å; Y1952-R2107 HydrophobicContact CE2-CG 3.72Å; Y1952-R2107 HydrophobicContact CG-CG 4.33Å; Y1952-F2110 HydrophobicContact CE1-CB 4.05Å; Y1952-F2110 AromaticContact CE1-CD2 3.89Å; Y1952-F2110 HydrophobicContact CE1-CD2 3.89Å; Y1952-F2110 HydrophobicContact CE1-CG 4.38Å; Y1952-E2111 VanDerWaalsContact OH-CG 3.25Å; Y1952-E2111 WeakPolarHBondContact OH-CG 3.16Å; Y1952-E2111 PolarHBondContact OH-OE1 3.33Å |
| 1953 | R | 84.2 | Confident | 94.4 | Very high | 95 Ų | 95 | 23.5 Ų | 23.5 | 36% | 0.358 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -86.2 | -27.7 | -177.8 | -75.8 | 166.9 | 170.1 | -97.7 | -5.8 | 115.3 | F1734 A1735 F2110 | F1734-R1953 CarbonylContact C-O 3.56Å; A1735-R1953 PolarHBondContact N-O 3.46Å; R1953-F2110 VanDerWaalsContact NH2-CD1 3.29Å; R1953-F2110 VanDerWaalsContact NH2-CE2 3.3Å |
| 1954 | Q | 84.7 | Confident | 94.4 | Very high | 81 Ų | 81 | 23.6 Ų | 23.6 | 38% | 0.379 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -138.5 | 137 | -167.5 | -168.8 | -178.1 | -13.3 | 0 | 0 | 112.1 | G1951 M1957 | G1951-Q1954 PolarHBondContact N-O 2.84Å; Q1954-M1957 HydrophobicContact CB-CB 4.48Å; Q1954-M1957 WeakPolarHBondContact O-CB 3.13Å |
| 1955 | R | 88.3 | Confident | 94.4 | Very high | 127 Ų | 127 | 24.7 Ų | 24.7 | 48% | 0.479 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 145.9 | 171 | -58.8 | -157.9 | 72.3 | 179.6 | 2.5 | 111.5 | A1735 D1950 M1957 | A1735-R1955 HydrophobicContact CB-CG 4.19Å; A1735-R1955 WeakPolarHBondContact O-CD 3.31Å; A1735-R1955 WeakPolarHBondContact O-CG 3.37Å; D1950-R1955 WeakPolarHBondContact OD1-CA 3.48Å; D1950-R1955 VanDerWaalsContact OD1-CB 3.29Å; D1950-R1955 WeakPolarHBondContact OD1-CB 3.5Å; D1950-R1955 IonicContact OD1-NE 2.57Å; D1950-R1955 IonicContact OD2-CZ 2.66Å; D1950-R1955 IonicContact OD2-NE 3.63Å; D1950-R1955 PolarHBondContact OD2-NE 2.81Å; D1950-R1955 IonicContact OD2-NH2 3.7Å; D1950-R1955 PolarHBondContact OD2-NH2 3.22Å; R1955-M1957 PolarHBondContact O-N 3.49Å |
| 1956 | K | 92.1 | Very high | 94.1 | Very high | 111 Ų | 111 | 29.1 Ų | 29.1 | 48% | 0.483 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 28.2 | -177.5 | -51.5 | -170.4 | 175.9 | -172.3 | 0 | 113.9 | F1948 I1949 D1950 Y1958 P2083 | F1948-K1956 HydrophobicContact CB-CB 4.23Å; F1948-K1956 HydrophobicContact CB-CD 4.23Å; F1948-K1956 HydrophobicContact CB-CG 3.94Å; F1948-K1956 HydrophobicContact CD1-CB 3.75Å; F1948-K1956 HydrophobicContact CD1-CD 3.89Å; F1948-K1956 HydrophobicContact CD1-CG 4.05Å; F1948-K1956 HydrophobicContact CD2-CD 4.07Å; F1948-K1956 HydrophobicContact CE1-CB 4.39Å; F1948-K1956 HydrophobicContact CE1-CD 4.19Å; F1948-K1956 HydrophobicContact CE2-CD 4.35Å; F1948-K1956 HydrophobicContact CG-CB 4.18Å; F1948-K1956 HydrophobicContact CG-CD 3.81Å; F1948-K1956 HydrophobicContact CG-CG 4Å; F1948-K1956 HydrophobicContact CZ-CD 4.4Å; I1949-K1956 CarbonylContact O-C 3.55Å; D1950-K1956 PolarHBondContact OD1-N 2.96Å; K1956-Y1958 PolarHBondContact O-N 2.85Å; K1956-P2083 WeakPolarHBondContact O-CB 3.33Å; K1956-P2083 WeakPolarHBondContact O-CG 3.46Å |
| 1957 | M | 94.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 7% | 0.069 | 16% | 0.158 | C | C | . | . | trans | -57.2 | -32.9 | 178.9 | 175.5 | 66.6 | -177.8 | 0 | 0 | 112.8 | I1949 Q1954 R1955 R2075 P2083 I2084 | I1949-M1957 PolarHBondContact O-N 3.08Å; I1949-M1957 VanDerWaalsContact O-N 3.17Å; Q1954-M1957 HydrophobicContact CB-CB 4.48Å; Q1954-M1957 WeakPolarHBondContact O-CB 3.13Å; R1955-M1957 PolarHBondContact O-N 3.49Å; M1957-R2075 VanDerWaalsContact SD-CZ 3.51Å; M1957-R2075 PolarHBondContact SD-NH1 3.09Å; M1957-P2083 WeakPolarHBondContact O-CA 3.2Å; M1957-I2084 HydrophobicContact CE-CD1 3.85Å; M1957-I2084 PolarHBondContact O-N 2.79Å | ||
| 1958 | Y | 97.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 159.5 | 178.6 | -48 | -92.7 | 0 | 0 | 0 | 111.9 | I1949 K1956 H2072 I2084 V2086 F2098 I2099 S2102 | I1949-Y1958 PolarHBondContact N-O 2.66Å; I1949-Y1958 PolarHBondContact O-N 3.2Å; K1956-Y1958 PolarHBondContact O-N 2.85Å; Y1958-H2072 PolarHBondContact OH-CE1 2.77Å; Y1958-H2072 PolarHBondContact OH-NE2 2.85Å; Y1958-I2084 CarbonylContact C-O 3.54Å; Y1958-I2084 WeakPolarHBondContact CA-O 3.44Å; Y1958-I2084 HydrophobicContact CD1-CB 3.87Å; Y1958-I2084 HydrophobicContact CD1-CD1 4.44Å; Y1958-I2084 HydrophobicContact CD1-CG2 4.31Å; Y1958-I2084 HydrophobicContact CE1-CB 4.35Å; Y1958-I2084 HydrophobicContact CE1-CD1 4.06Å; Y1958-V2086 HydrophobicContact CD1-CG2 3.94Å; Y1958-F2098 HydrophobicContact CE1-CE1 4.26Å; Y1958-I2099 HydrophobicContact CD1-CD1 4.32Å; Y1958-I2099 HydrophobicContact CD1-CG1 3.93Å; Y1958-I2099 HydrophobicContact CD2-CD1 4.45Å; Y1958-I2099 HydrophobicContact CD2-CG1 4.27Å; Y1958-I2099 HydrophobicContact CD2-CG2 3.64Å; Y1958-I2099 HydrophobicContact CE1-CG1 4.34Å; Y1958-I2099 HydrophobicContact CE2-CG2 3.73Å; Y1958-I2099 HydrophobicContact CG-CD1 3.94Å; Y1958-I2099 HydrophobicContact CG-CG1 3.9Å; Y1958-I2099 HydrophobicContact CG-CG2 4.15Å; Y1958-S2102 WeakPolarHBondContact OH-CB 3.17Å |
| 1959 | V | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 109 | 163.7 | 165.7 | 0 | 0 | 0 | 0 | 108.1 | V1930 A1946 S1947 F1948 M1975 P2083 I2084 V2085 V2086 | V1930-V1959 HydrophobicContact CG2-CB 4.5Å; V1930-V1959 HydrophobicContact CG2-CG1 3.77Å; V1930-V1959 HydrophobicContact CG2-CG2 3.95Å; A1946-V1959 HydrophobicContact CB-CG1 3.86Å; S1947-V1959 CarbonylContact O-C 3.5Å; S1947-V1959 WeakPolarHBondContact O-CA 3.39Å; F1948-V1959 HydrophobicContact CD1-CG2 3.7Å; F1948-V1959 HydrophobicContact CE1-CG2 3.9Å; V1959-M1975 HydrophobicContact CG1-CE 3.85Å; V1959-M1975 HydrophobicContact CG1-SD 3.8Å; V1959-P2083 HydrophobicContact CG2-CB 3.85Å; V1959-P2083 HydrophobicContact CG2-CG 4.27Å; V1959-I2084 PolarHBondContact N-O 2.88Å; V1959-V2085 HydrophobicContact CB-CG2 3.83Å; V1959-V2085 HydrophobicContact CG1-CG2 4.15Å; V1959-V2085 HydrophobicContact CG2-CG2 4.49Å; V1959-V2085 WeakPolarHBondContact O-CA 3.16Å; V1959-V2086 PolarHBondContact O-N 2.97Å |
| 1960 | A | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 110.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A1946 S1947 I1949 T2095 I2099 M2130 | A1946-A1960 CarbonylContact C-O 3.6Å; A1946-A1960 WeakPolarHBondContact CA-O 3.31Å; S1947-A1960 PolarHBondContact N-O 3.44Å; S1947-A1960 PolarHBondContact O-N 3.11Å; I1949-A1960 HydrophobicContact CD1-CB 4.19Å; I1949-A1960 HydrophobicContact CG1-CB 3.63Å; A1960-T2095 HydrophobicContact CB-CG2 3.62Å; A1960-I2099 HydrophobicContact CB-CD1 4.22Å; A1960-M2130 HydrophobicContact CB-CE 4.2Å; A1960-M2130 HydrophobicContact CB-SD 4.35Å |
| 1961 | T | 98.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.7 | -176.1 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | N1945 F1972 M1975 V2085 V2086 H2087 G2091 | N1945-T1961 WeakPolarHBondContact O-CA 3.44Å; N1945-T1961 PolarHBondContact O-OG1 3.18Å; T1961-F1972 HydrophobicContact CG2-CE2 4.02Å; T1961-M1975 HydrophobicContact CG2-CE 4.33Å; T1961-V2085 HydrophobicContact CG2-CG1 3.73Å; T1961-V2086 PolarHBondContact N-O 3.15Å; T1961-V2086 VanDerWaalsContact N-O 3.14Å; T1961-H2087 HydrophobicContact CG2-CB 3.79Å; T1961-H2087 WeakPolarHBondContact O-CA 3.3Å; T1961-H2087 WeakPolarHBondContact O-CB 3.47Å; T1961-G2091 WeakPolarHBondContact O-CA 3.22Å |
| 1962 | Q | 97.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 156.5 | 164.6 | 77.2 | -175.2 | 15.4 | 0 | 0 | 110.8 | K1916 N1945 | K1916-Q1962 PolarHBondContact O-NE2 2.76Å; N1945-Q1962 HydrophobicContact CB-CG 4.11Å; N1945-Q1962 PolarHBondContact ND2-OE1 2.92Å; N1945-Q1962 PolarHBondContact O-N 3.43Å |
| 1963 | G | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -68 | 123.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R1918 C2088 S2089 | R1918-G1963 PolarHBondContact NE-O 2.81Å; R1918-G1963 VanDerWaalsContact NE-O 3.1Å; R1918-G1963 PolarHBondContact NH2-O 3.05Å; R1918-G1963 VanDerWaalsContact NH2-O 3.15Å; G1963-C2088 WeakPolarHBondContact CA-O 3.27Å; G1963-C2088 PolarHBondContact N-O 2.91Å; G1963-S2089 PolarHBondContact N-O 2.89Å |
| 1964 | P | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -48 | 149.3 | -172.8 | -34 | 37.7 | 0 | 0 | 0 | 114.8 | R1918 F1972 C1999 Y2001 | R1918-P1964 PolarHBondContact NH2-O 2.96Å; P1964-F1972 HydrophobicContact CB-CB 4.48Å; P1964-F1972 HydrophobicContact CG-CB 3.94Å; P1964-F1972 HydrophobicContact CG-CD1 3.99Å; P1964-F1972 HydrophobicContact CG-CD2 3.51Å; P1964-F1972 HydrophobicContact CG-CE1 4.36Å; P1964-F1972 HydrophobicContact CG-CE2 3.91Å; P1964-F1972 HydrophobicContact CG-CG 3.54Å; P1964-F1972 HydrophobicContact CG-CZ 4.32Å; P1964-C1999 PolarHBondContact O-N 2.78Å; P1964-C1999 PolarHBondContact O-SG 2.94Å; P1964-C1999 VanDerWaalsContact O-SG 3.32Å; P1964-Y2001 HydrophobicContact CB-CD1 3.78Å; P1964-Y2001 HydrophobicContact CB-CG 4.22Å; P1964-Y2001 HydrophobicContact CG-CD1 3.54Å; P1964-Y2001 HydrophobicContact CG-CE1 3.89Å; P1964-Y2001 HydrophobicContact CG-CG 4.05Å |
| 1965 | M | 96.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 13% | 0.133 | 15% | 0.145 | C | C | . | . | trans | -109.6 | 163.5 | 172.6 | -56.5 | -173.5 | -58.5 | 0 | 0 | 108.9 | L1915 K1916 R1918 N1967 T1968 R1969 | L1915-M1965 VanDerWaalsContact O-CE 3.23Å; L1915-M1965 WeakPolarHBondContact O-CE 3.22Å; K1916-M1965 VanDerWaalsContact C-CE 3.42Å; K1916-M1965 WeakPolarHBondContact O-CE 3.31Å; R1918-M1965 HydrophobicContact CB-CG 4.43Å; R1918-M1965 HydrophobicContact CB-SD 3.72Å; R1918-M1965 HydrophobicContact CG-SD 4.12Å; M1965-N1967 WeakPolarHBondContact CB-OD1 3.25Å; M1965-N1967 PolarHBondContact O-N 2.67Å; M1965-N1967 VanDerWaalsContact O-N 3.09Å; M1965-T1968 WeakPolarHBondContact CB-OG1 3.5Å; M1965-T1968 PolarHBondContact N-OG1 2.74Å; M1965-T1968 PolarHBondContact O-N 3.32Å; M1965-T1968 PolarHBondContact O-OG1 2.75Å; M1965-R1969 WeakPolarHBondContact O-CG 3.34Å; M1965-R1969 PolarHBondContact O-N 2.83Å | ||
| 1966 | S | 92.7 | Very high | 96.3 | Very high | 95 Ų | 95 | 23.5 Ų | 23.5 | 66% | 0.664 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.4 | -179.1 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1967 | N | 93.2 | Very high | 96.4 | Very high | 84 Ų | 84 | 19.1 Ų | 19.1 | 45% | 0.449 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 3.1 | 178.1 | 69.4 | -13.7 | 0 | 0 | 0 | 115.3 | L1915 M1965 | L1915-N1967 PolarHBondContact O-ND2 2.66Å; M1965-N1967 WeakPolarHBondContact CB-OD1 3.25Å; M1965-N1967 PolarHBondContact O-N 2.67Å; M1965-N1967 VanDerWaalsContact O-N 3.09Å |
| 1968 | T | 96.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 8 | -178 | 43.8 | 0 | 0 | 0 | 0 | 113.7 | K1916 M1965 D1970 D1971 F1972 | K1916-T1968 HydrophobicContact CB-CG2 3.79Å; K1916-T1968 HydrophobicContact CD-CG2 4.39Å; K1916-T1968 HydrophobicContact CG-CG2 3.87Å; M1965-T1968 WeakPolarHBondContact CB-OG1 3.5Å; M1965-T1968 PolarHBondContact N-OG1 2.74Å; M1965-T1968 PolarHBondContact O-N 3.32Å; M1965-T1968 PolarHBondContact O-OG1 2.75Å; T1968-D1970 PolarHBondContact O-N 2.94Å; T1968-D1971 PolarHBondContact O-N 3.3Å; T1968-F1972 WeakPolarHBondContact O-CB 3.1Å; T1968-F1972 PolarHBondContact O-N 3.46Å |
| 1969 | R | 95.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 22.9 Ų | 22.9 | 20% | 0.204 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | 176.1 | -50.3 | -171 | -48.9 | 147.7 | 12.1 | 111.9 | M1965 F1972 W1973 E2008 F2010 | M1965-R1969 WeakPolarHBondContact O-CG 3.34Å; M1965-R1969 PolarHBondContact O-N 2.83Å; R1969-F1972 WeakPolarHBondContact O-CB 3.42Å; R1969-F1972 PolarHBondContact O-N 3.46Å; R1969-W1973 PolarHBondContact O-N 2.88Å; R1969-E2008 IonicContact CZ-OE1 4Å; R1969-E2008 IonicContact NH1-OE1 3.26Å; R1969-E2008 PolarHBondContact NH1-OE1 2.8Å; R1969-E2008 IonicContact NH1-OE2 2.78Å; R1969-E2008 PolarHBondContact NH1-OE2 3.46Å; R1969-E2008 IonicContact NH2-OE1 3.96Å; R1969-E2008 PolarHBondContact NH2-OE1 3Å; R1969-F2010 HydrophobicContact CB-CD1 3.88Å; R1969-F2010 HydrophobicContact CB-CE1 3.88Å; R1969-F2010 VanDerWaalsContact CZ-CE1 3.41Å |
| 1970 | D | 94.5 | Very high | 96.1 | Very high | 67 Ų | 67 | 26 Ų | 26 | 36% | 0.358 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -67.7 | -39.3 | -178.9 | -66.2 | 40 | 0 | 0 | 0 | 111.9 | T1968 F1972 R1974 G2011 | T1968-D1970 PolarHBondContact O-N 2.94Å; D1970-F1972 VanDerWaalsContact C-N 3.31Å; D1970-F1972 PolarHBondContact O-N 2.92Å; D1970-R1974 WeakPolarHBondContact O-CB 3.38Å; D1970-R1974 PolarHBondContact O-N 2.94Å; D1970-G2011 PolarHBondContact OD2-N 2.92Å |
| 1971 | D | 96.6 | Very high | 96 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 172.5 | -72.5 | -12 | 0 | 0 | 0 | 111.6 | K1916 L1932 I1944 T1968 R1974 M1975 | K1916-D1971 VanDerWaalsContact CE-OD2 3.27Å; K1916-D1971 WeakPolarHBondContact CE-OD2 3.27Å; K1916-D1971 IonicContact NZ-OD1 3.33Å; K1916-D1971 IonicContact NZ-OD2 2.75Å; K1916-D1971 PolarHBondContact NZ-OD2 3.36Å; L1932-D1971 HydrophobicContact CD1-CB 3.9Å; I1944-D1971 HydrophobicContact CD1-CB 4.24Å; T1968-D1971 PolarHBondContact O-N 3.3Å; D1971-R1974 IonicContact OD1-CZ 3.52Å; D1971-R1974 IonicContact OD1-NH2 2.65Å; D1971-R1974 PolarHBondContact OD1-NH2 3.01Å; D1971-M1975 WeakPolarHBondContact O-CB 3.38Å; D1971-M1975 PolarHBondContact O-N 2.78Å |
| 1972 | F | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -50.8 | 177.9 | 179.8 | -95 | 0 | 0 | 0 | 112 | I1944 T1961 P1964 T1968 R1969 D1970 R1974 M1975 L1976 I1984 Y2001 V2085 | I1944-F1972 HydrophobicContact CD1-CB 4.18Å; T1961-F1972 HydrophobicContact CG2-CE2 4.02Å; P1964-F1972 HydrophobicContact CB-CB 4.48Å; P1964-F1972 HydrophobicContact CG-CB 3.94Å; P1964-F1972 HydrophobicContact CG-CD1 3.99Å; P1964-F1972 HydrophobicContact CG-CD2 3.51Å; P1964-F1972 HydrophobicContact CG-CE1 4.36Å; P1964-F1972 HydrophobicContact CG-CE2 3.91Å; P1964-F1972 HydrophobicContact CG-CG 3.54Å; P1964-F1972 HydrophobicContact CG-CZ 4.32Å; T1968-F1972 WeakPolarHBondContact O-CB 3.1Å; T1968-F1972 PolarHBondContact O-N 3.46Å; R1969-F1972 WeakPolarHBondContact O-CB 3.42Å; R1969-F1972 PolarHBondContact O-N 3.46Å; D1970-F1972 VanDerWaalsContact C-N 3.31Å; D1970-F1972 PolarHBondContact O-N 2.92Å; F1972-R1974 VanDerWaalsContact C-N 3.27Å; F1972-R1974 PolarHBondContact O-N 2.86Å; F1972-M1975 HydrophobicContact CD2-CE 4.01Å; F1972-M1975 HydrophobicContact CE2-CE 4.11Å; F1972-M1975 VanDerWaalsContact O-CB 3.23Å; F1972-M1975 WeakPolarHBondContact O-CB 3.1Å; F1972-M1975 PolarHBondContact O-N 2.82Å; F1972-M1975 VanDerWaalsContact O-N 3.12Å; F1972-L1976 HydrophobicContact CD1-CD1 4.25Å; F1972-L1976 HydrophobicContact CE1-CD1 3.81Å; F1972-L1976 HydrophobicContact CE1-CG 4.37Å; F1972-L1976 HydrophobicContact CZ-CD1 4.4Å; F1972-L1976 HydrophobicContact CZ-CD2 4.47Å; F1972-L1976 WeakPolarHBondContact O-CG 3.32Å; F1972-L1976 PolarHBondContact O-N 2.81Å; F1972-L1976 VanDerWaalsContact O-N 3.14Å; F1972-I1984 HydrophobicContact CE1-CD1 4.17Å; F1972-I1984 HydrophobicContact CZ-CD1 4.37Å; F1972-I1984 HydrophobicContact CZ-CG2 4.04Å; F1972-Y2001 AromaticContact CD1-CD2 3.97Å; F1972-Y2001 HydrophobicContact CD1-CD2 3.97Å; F1972-Y2001 HydrophobicContact CD1-CE2 4.2Å; F1972-Y2001 HydrophobicContact CD1-CG 4.39Å; F1972-Y2001 AromaticContact CE1-CD2 3.73Å; F1972-Y2001 HydrophobicContact CE1-CD2 3.73Å; F1972-Y2001 AromaticContact CE1-CE2 3.48Å; F1972-Y2001 HydrophobicContact CE1-CE2 3.48Å; F1972-Y2001 VanDerWaalsContact CE1-CE2 3.48Å; F1972-Y2001 HydrophobicContact CE1-CG 4.41Å; F1972-Y2001 AromaticContact CE1-CZ 3.92Å; F1972-Y2001 HydrophobicContact CZ-CE2 4.13Å; F1972-V2085 HydrophobicContact CE2-CG1 3.86Å; F1972-V2085 HydrophobicContact CZ-CG1 4.12Å |
| 1973 | W | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 176 | -75.8 | 109.6 | 0 | 0 | 0 | 112.5 | R1969 L1976 W1977 Y2001 W2002 F2010 L2013 V2015 F2031 L2033 V2044 | R1969-W1973 PolarHBondContact O-N 2.88Å; W1973-L1976 HydrophobicContact CD2-CD1 4.31Å; W1973-L1976 HydrophobicContact CE3-CD1 3.59Å; W1973-L1976 HydrophobicContact CZ3-CD1 3.73Å; W1973-L1976 WeakPolarHBondContact O-CB 3.03Å; W1973-L1976 PolarHBondContact O-N 2.95Å; W1973-W1977 PolarHBondContact O-N 3.31Å; W1973-Y2001 HydrophobicContact CZ2-CD2 4.09Å; W1973-Y2001 HydrophobicContact CZ2-CE2 4.5Å; W1973-Y2001 PolarHBondContact NE1-O 2.77Å; W1973-W2002 HydrophobicContact CZ2-CB 4.29Å; W1973-F2010 HydrophobicContact CB-CB 4.31Å; W1973-F2010 AromaticContact CD1-CD1 3.49Å; W1973-F2010 VanDerWaalsContact CD1-CD1 3.49Å; W1973-F2010 AromaticContact CD1-CD2 3.73Å; W1973-F2010 AromaticContact CD1-CE1 3.78Å; W1973-F2010 AromaticContact CD1-CG 3.45Å; W1973-F2010 VanDerWaalsContact CD1-CG 3.45Å; W1973-F2010 HydrophobicContact CG-CB 4.37Å; W1973-F2010 HydrophobicContact CG-CD2 4.36Å; W1973-F2010 HydrophobicContact CG-CG 4.2Å; W1973-F2010 AromaticContact NE1-CD1 3.93Å; W1973-F2010 AromaticContact NE1-CD2 3.89Å; W1973-F2010 AromaticContact NE1-CE1 3.72Å; W1973-F2010 AromaticContact NE1-CE2 3.71Å; W1973-F2010 AromaticContact NE1-CZ 3.62Å; W1973-L2013 VanDerWaalsContact C-CD1 3.43Å; W1973-L2013 HydrophobicContact CB-CD1 3.98Å; W1973-L2013 VanDerWaalsContact O-CD1 3.3Å; W1973-L2013 WeakPolarHBondContact O-CD1 3.48Å; W1973-V2015 HydrophobicContact CD2-CG2 3.61Å; W1973-V2015 HydrophobicContact CE3-CG2 3.81Å; W1973-V2015 HydrophobicContact CG-CG2 4.16Å; W1973-V2015 HydrophobicContact CH2-CG1 3.71Å; W1973-V2015 HydrophobicContact CH2-CG2 4.07Å; W1973-V2015 HydrophobicContact CZ2-CB 4.44Å; W1973-V2015 HydrophobicContact CZ2-CG1 3.77Å; W1973-V2015 HydrophobicContact CZ2-CG2 3.87Å; W1973-V2015 HydrophobicContact CZ3-CG1 4.26Å; W1973-V2015 HydrophobicContact CZ3-CG2 4.03Å; W1973-F2031 HydrophobicContact CH2-CD2 4.22Å; W1973-F2031 HydrophobicContact CH2-CG 4.38Å; W1973-L2033 HydrophobicContact CD2-CD1 4.41Å; W1973-L2033 HydrophobicContact CE3-CD1 3.66Å; W1973-L2033 HydrophobicContact CE3-CD2 4.1Å; W1973-L2033 HydrophobicContact CE3-CG 4.44Å; W1973-L2033 HydrophobicContact CZ3-CD1 4.2Å; W1973-L2033 HydrophobicContact CZ3-CD2 4.47Å; W1973-V2044 HydrophobicContact CZ3-CG1 4.33Å |
| 1974 | R | 95.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 3% | 0.034 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 172.9 | -179.6 | 156.4 | 58.4 | 103.7 | 2.8 | 112.6 | T1933 S1941 D1970 D1971 F1972 L1976 W1977 E1978 Y2012 | T1933-R1974 PolarHBondContact O-NH1 3.01Å; S1941-R1974 VanDerWaalsContact O-CZ 3.32Å; S1941-R1974 PolarHBondContact O-NH1 2.87Å; S1941-R1974 PolarHBondContact O-NH2 2.78Å; D1970-R1974 WeakPolarHBondContact O-CB 3.38Å; D1970-R1974 PolarHBondContact O-N 2.94Å; D1971-R1974 IonicContact OD1-CZ 3.52Å; D1971-R1974 IonicContact OD1-NH2 2.65Å; D1971-R1974 PolarHBondContact OD1-NH2 3.01Å; F1972-R1974 VanDerWaalsContact C-N 3.27Å; F1972-R1974 PolarHBondContact O-N 2.86Å; R1974-L1976 VanDerWaalsContact C-N 3.32Å; R1974-L1976 PolarHBondContact O-N 3.44Å; R1974-W1977 PolarHBondContact O-N 3.21Å; R1974-E1978 VanDerWaalsContact CD-OE1 3.32Å; R1974-E1978 WeakPolarHBondContact CD-OE1 3.46Å; R1974-E1978 HydrophobicContact CG-CG 4.24Å; R1974-E1978 WeakPolarHBondContact CG-OE1 3.37Å; R1974-E1978 WeakPolarHBondContact O-CB 3.27Å; R1974-E1978 WeakPolarHBondContact O-CG 3.21Å; R1974-E1978 PolarHBondContact O-N 3.36Å; R1974-Y2012 WeakPolarHBondContact CD-OH 3.47Å; R1974-Y2012 WeakPolarHBondContact CG-OH 3.34Å |
| 1975 | M | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.9 | -45.8 | 172.3 | -167.7 | -175.5 | 64.8 | 0 | 0 | 112 | V1930 L1932 I1944 A1946 V1959 T1961 D1971 F1972 H1979 V2085 | V1930-M1975 HydrophobicContact CB-SD 4.28Å; V1930-M1975 HydrophobicContact CG1-CG 3.7Å; V1930-M1975 HydrophobicContact CG1-SD 4.02Å; V1930-M1975 HydrophobicContact CG2-SD 4.33Å; L1932-M1975 VanDerWaalsContact CD2-CA 3.49Å; L1932-M1975 HydrophobicContact CD2-CB 3.65Å; L1932-M1975 HydrophobicContact CD2-CG 3.93Å; I1944-M1975 HydrophobicContact CD1-CB 4.29Å; I1944-M1975 HydrophobicContact CD1-SD 3.97Å; I1944-M1975 HydrophobicContact CG2-CG 4.46Å; I1944-M1975 HydrophobicContact CG2-SD 3.98Å; A1946-M1975 HydrophobicContact CB-SD 3.68Å; V1959-M1975 HydrophobicContact CG1-CE 3.85Å; V1959-M1975 HydrophobicContact CG1-SD 3.8Å; T1961-M1975 HydrophobicContact CG2-CE 4.33Å; D1971-M1975 WeakPolarHBondContact O-CB 3.38Å; D1971-M1975 PolarHBondContact O-N 2.78Å; F1972-M1975 HydrophobicContact CD2-CE 4.01Å; F1972-M1975 HydrophobicContact CE2-CE 4.11Å; F1972-M1975 VanDerWaalsContact O-CB 3.23Å; F1972-M1975 WeakPolarHBondContact O-CB 3.1Å; F1972-M1975 PolarHBondContact O-N 2.82Å; F1972-M1975 VanDerWaalsContact O-N 3.12Å; M1975-H1979 PolarHBondContact O-CD2 3.19Å; M1975-H1979 PolarHBondContact O-N 3.47Å; M1975-H1979 VanDerWaalsContact O-N 3.08Å; M1975-V2085 HydrophobicContact CE-CG1 3.84Å; M1975-V2085 HydrophobicContact CE-CG2 4Å |
| 1976 | L | 97 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 179 | -58.2 | -179.4 | 0 | 0 | 0 | 111.9 | F1972 W1973 R1974 N1980 C1981 I1984 L2033 V2044 V2085 | F1972-L1976 HydrophobicContact CD1-CD1 4.25Å; F1972-L1976 HydrophobicContact CE1-CD1 3.81Å; F1972-L1976 HydrophobicContact CE1-CG 4.37Å; F1972-L1976 HydrophobicContact CZ-CD1 4.4Å; F1972-L1976 HydrophobicContact CZ-CD2 4.47Å; F1972-L1976 WeakPolarHBondContact O-CG 3.32Å; F1972-L1976 PolarHBondContact O-N 2.81Å; F1972-L1976 VanDerWaalsContact O-N 3.14Å; W1973-L1976 HydrophobicContact CD2-CD1 4.31Å; W1973-L1976 HydrophobicContact CE3-CD1 3.59Å; W1973-L1976 HydrophobicContact CZ3-CD1 3.73Å; W1973-L1976 WeakPolarHBondContact O-CB 3.03Å; W1973-L1976 PolarHBondContact O-N 2.95Å; R1974-L1976 VanDerWaalsContact C-N 3.32Å; R1974-L1976 PolarHBondContact O-N 3.44Å; L1976-N1980 CarbonylContact O-C 3.59Å; L1976-N1980 PolarHBondContact O-N 3.13Å; L1976-C1981 HydrophobicContact CD2-CB 3.74Å; L1976-C1981 PolarHBondContact O-N 3.23Å; L1976-I1984 HydrophobicContact CD1-CD1 3.58Å; L1976-I1984 HydrophobicContact CD1-CG1 4.01Å; L1976-I1984 HydrophobicContact CD2-CG1 4.21Å; L1976-L2033 HydrophobicContact CB-CD2 4.39Å; L1976-V2044 HydrophobicContact CD1-CG1 4.38Å; L1976-V2085 HydrophobicContact CD2-CB 4.11Å; L1976-V2085 HydrophobicContact CD2-CG1 4.24Å; L1976-V2085 HydrophobicContact CD2-CG2 3.66Å |
| 1977 | W | 95.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 20.4 Ų | 20.4 | 8% | 0.076 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -52 | 179.4 | -174.4 | -105.2 | 0 | 0 | 0 | 112.4 | W1973 R1974 N1980 L2013 L2033 D2035 Q2040 K2042 | W1973-W1977 PolarHBondContact O-N 3.31Å; R1974-W1977 PolarHBondContact O-N 3.21Å; W1977-N1980 PolarHBondContact O-N 3.33Å; W1977-L2013 HydrophobicContact CB-CD1 3.83Å; W1977-L2013 HydrophobicContact CB-CD2 4Å; W1977-L2013 HydrophobicContact CD2-CD2 3.77Å; W1977-L2013 HydrophobicContact CE3-CD2 4Å; W1977-L2013 HydrophobicContact CG-CD1 4.43Å; W1977-L2013 HydrophobicContact CG-CD2 3.75Å; W1977-L2033 HydrophobicContact CB-CD2 4.38Å; W1977-L2033 HydrophobicContact CE3-CD2 3.9Å; W1977-L2033 HydrophobicContact CE3-CG 3.96Å; W1977-L2033 HydrophobicContact CZ3-CG 4.44Å; W1977-D2035 HydrophobicContact CD2-CB 4.44Å; W1977-D2035 HydrophobicContact CH2-CB 3.93Å; W1977-D2035 HydrophobicContact CZ2-CB 3.45Å; W1977-D2035 VanDerWaalsContact CZ2-CB 3.45Å; W1977-D2035 PolarHBondContact NE1-OD2 2.9Å; W1977-Q2040 HydrophobicContact CH2-CB 3.84Å; W1977-Q2040 WeakPolarHBondContact CH2-O 3.41Å; W1977-Q2040 HydrophobicContact CZ2-CB 4.07Å; W1977-K2042 HydrophobicContact CE3-CD 3.85Å; W1977-K2042 HydrophobicContact CE3-CG 4.24Å; W1977-K2042 HydrophobicContact CH2-CD 4.37Å; W1977-K2042 HydrophobicContact CH2-CG 4.18Å; W1977-K2042 HydrophobicContact CZ3-CB 4.21Å; W1977-K2042 HydrophobicContact CZ3-CD 3.71Å; W1977-K2042 HydrophobicContact CZ3-CG 3.6Å; W1977-K2042 PolarHBondContact O-NZ 3.1Å |
| 1978 | E | 94.7 | Very high | 96.5 | Very high | 51 Ų | 51 | 16.5 Ų | 16.5 | 24% | 0.238 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -71.3 | -38.8 | -172.3 | -69.3 | -177.4 | -158.3 | 0 | 0 | 113.1 | T1933 R1974 N1980 Y2012 | T1933-E1978 WeakPolarHBondContact CB-OE1 3.37Å; T1933-E1978 VanDerWaalsContact CB-OE2 3.29Å; T1933-E1978 WeakPolarHBondContact CB-OE2 3.44Å; T1933-E1978 PolarHBondContact N-OE2 2.81Å; T1933-E1978 PolarHBondContact OG1-OE1 3.26Å; T1933-E1978 PolarHBondContact OG1-OE2 2.81Å; R1974-E1978 VanDerWaalsContact CD-OE1 3.32Å; R1974-E1978 WeakPolarHBondContact CD-OE1 3.46Å; R1974-E1978 HydrophobicContact CG-CG 4.24Å; R1974-E1978 WeakPolarHBondContact CG-OE1 3.37Å; R1974-E1978 WeakPolarHBondContact O-CB 3.27Å; R1974-E1978 WeakPolarHBondContact O-CG 3.21Å; R1974-E1978 PolarHBondContact O-N 3.36Å; E1978-N1980 VanDerWaalsContact C-N 3.32Å; E1978-Y2012 PolarHBondContact OE1-OH 2.99Å |
| 1979 | H | 95.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 20.3 Ų | 20.3 | 21% | 0.208 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 8.6 | 179.3 | -64.1 | -69.6 | 0 | 0 | 0 | 113.8 | V1930 Y1931 F1948 M1975 C1981 P2083 | V1930-H1979 VanDerWaalsContact CG1-CD2 3.42Å; V1930-H1979 WeakPolarHBondContact CG1-CD2 3.38Å; V1930-H1979 WeakPolarHBondContact CG1-NE2 3.39Å; Y1931-H1979 PolarHBondContact O-CE1 3.45Å; Y1931-H1979 PolarHBondContact O-NE2 3.29Å; F1948-H1979 AromaticContact CZ-CE1 3.96Å; F1948-H1979 AromaticContact CZ-ND1 3.52Å; M1975-H1979 PolarHBondContact O-CD2 3.19Å; M1975-H1979 PolarHBondContact O-N 3.47Å; M1975-H1979 VanDerWaalsContact O-N 3.08Å; H1979-C1981 PolarHBondContact O-N 2.72Å; H1979-P2083 VanDerWaalsContact O-CD 3.25Å; H1979-P2083 WeakPolarHBondContact O-CD 3.26Å |
| 1980 | N | 94.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 20.2 Ų | 20.2 | 35% | 0.353 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 29.4 | -179.3 | -155.4 | 45.5 | 0 | 0 | 0 | 113.9 | L1976 W1977 E1978 T1982 K2042 | L1976-N1980 CarbonylContact O-C 3.59Å; L1976-N1980 PolarHBondContact O-N 3.13Å; W1977-N1980 PolarHBondContact O-N 3.33Å; E1978-N1980 VanDerWaalsContact C-N 3.32Å; N1980-T1982 PolarHBondContact O-N 2.89Å; N1980-K2042 WeakPolarHBondContact OD1-CE 3.37Å; N1980-K2042 PolarHBondContact OD1-NZ 2.65Å |
| 1981 | C | 95.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | trans | -78.1 | 108.8 | 178.9 | -47.9 | 0 | 0 | 0 | 0 | 109.9 | L1976 H1979 P2083 V2085 | L1976-C1981 HydrophobicContact CD2-CB 3.74Å; L1976-C1981 PolarHBondContact O-N 3.23Å; H1979-C1981 PolarHBondContact O-N 2.72Å; C1981-P2083 WeakPolarHBondContact CB-O 3.34Å; C1981-V2085 HydrophobicContact CB-CG2 3.46Å; C1981-V2085 VanDerWaalsContact CB-CG2 3.46Å | ||
| 1982 | T | 96 | Very high | 96.1 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | trans | -105.9 | -1.1 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | N1980 V2044 R2045 Q2080 | N1980-T1982 PolarHBondContact O-N 2.89Å; T1982-V2044 CarbonylContact O-C 3.57Å; T1982-V2044 WeakPolarHBondContact O-CA 3.48Å; T1982-R2045 PolarHBondContact O-N 2.86Å; T1982-Q2080 VanDerWaalsContact CB-OE1 3.3Å; T1982-Q2080 PolarHBondContact OG1-OE1 2.75Å | ||
| 1983 | I | 97.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.2 | 178.1 | -59.6 | 178.9 | 0 | 0 | 0 | 108.9 | V1985 R2045 F2047 V2071 T2074 R2075 Q2080 I2084 V2085 | I1983-V1985 HydrophobicContact CG2-CG2 4.47Å; I1983-R2045 CarbonylContact C-O 3.58Å; I1983-R2045 WeakPolarHBondContact CA-O 3.24Å; I1983-F2047 HydrophobicContact CG2-CD2 4.15Å; I1983-F2047 HydrophobicContact CG2-CE2 4.23Å; I1983-V2071 HydrophobicContact CG2-CG1 4.07Å; I1983-T2074 HydrophobicContact CD1-CG2 4.32Å; I1983-R2075 HydrophobicContact CD1-CB 3.71Å; I1983-R2075 HydrophobicContact CD1-CG 4.16Å; I1983-Q2080 HydrophobicContact CD1-CB 4.34Å; I1983-Q2080 HydrophobicContact CD1-CG 4.49Å; I1983-I2084 HydrophobicContact CG2-CG2 4.09Å; I1983-V2085 PolarHBondContact O-N 3.12Å |
| 1984 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.5 | 174.9 | -48.9 | 165.4 | 0 | 0 | 0 | 108.3 | F1972 L1976 Y2001 V2044 R2045 H2046 F2047 V2085 | F1972-I1984 HydrophobicContact CE1-CD1 4.17Å; F1972-I1984 HydrophobicContact CZ-CD1 4.37Å; F1972-I1984 HydrophobicContact CZ-CG2 4.04Å; L1976-I1984 HydrophobicContact CD1-CD1 3.58Å; L1976-I1984 HydrophobicContact CD1-CG1 4.01Å; L1976-I1984 HydrophobicContact CD2-CG1 4.21Å; I1984-Y2001 HydrophobicContact CD1-CE2 4.5Å; I1984-V2044 HydrophobicContact CD1-CG1 3.69Å; I1984-V2044 HydrophobicContact CG1-CG1 4Å; I1984-R2045 PolarHBondContact N-O 3.29Å; I1984-H2046 HydrophobicContact CB-CB 4.41Å; I1984-H2046 HydrophobicContact CD1-CB 4.36Å; I1984-F2047 PolarHBondContact O-N 2.88Å; I1984-V2085 CarbonylContact C-O 3.54Å; I1984-V2085 WeakPolarHBondContact CA-O 3.5Å |
| 1985 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 111.9 | 175.3 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | I1983 L1987 F2047 F2067 V2071 I2084 V2085 V2086 H2087 F2098 | I1983-V1985 HydrophobicContact CG2-CG2 4.47Å; V1985-L1987 HydrophobicContact CG1-CD2 3.7Å; V1985-L1987 HydrophobicContact CG1-CG 4.02Å; V1985-F2047 CarbonylContact C-O 3.56Å; V1985-F2047 WeakPolarHBondContact CA-O 3.27Å; V1985-F2067 HydrophobicContact CG1-CE1 3.75Å; V1985-F2067 HydrophobicContact CG1-CZ 3.97Å; V1985-V2071 HydrophobicContact CG2-CG1 3.89Å; V1985-V2071 HydrophobicContact CG2-CG2 4.05Å; V1985-I2084 HydrophobicContact CG2-CG2 3.73Å; V1985-V2085 PolarHBondContact N-O 3.37Å; V1985-V2086 HydrophobicContact CB-CB 4.48Å; V1985-V2086 HydrophobicContact CB-CG1 4.3Å; V1985-V2086 HydrophobicContact CB-CG2 4.24Å; V1985-V2086 HydrophobicContact CG1-CG1 4.2Å; V1985-V2086 WeakPolarHBondContact O-CA 3.25Å; V1985-H2087 PolarHBondContact O-N 3.15Å; V1985-F2098 HydrophobicContact CG1-CD2 4.13Å; V1985-F2098 HydrophobicContact CG1-CE1 4.36Å; V1985-F2098 HydrophobicContact CG1-CE2 3.85Å; V1985-F2098 HydrophobicContact CG1-CG 4.5Å; V1985-F2098 HydrophobicContact CG1-CZ 3.99Å; V1985-F2098 HydrophobicContact CG2-CE1 4.38Å; V1985-F2098 HydrophobicContact CG2-CZ 4Å |
| 1986 | M | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.4 | 179.4 | 177.5 | 170.1 | -171.4 | 0 | 0 | 109.8 | T1988 L1990 C1998 W2002 F2047 Q2048 Y2049 H2087 | M1986-T1988 HydrophobicContact CE-CG2 3.93Å; M1986-T1988 WeakPolarHBondContact CE-O 3.33Å; M1986-T1988 HydrophobicContact CG-CG2 4.21Å; M1986-L1990 HydrophobicContact CE-CD2 4.09Å; M1986-C1998 HydrophobicContact CE-CB 3.79Å; M1986-W2002 HydrophobicContact CE-CH2 3.97Å; M1986-W2002 HydrophobicContact CE-CZ3 4.05Å; M1986-W2002 HydrophobicContact SD-CH2 3.76Å; M1986-W2002 HydrophobicContact SD-CZ3 3.69Å; M1986-F2047 PolarHBondContact N-O 3.09Å; M1986-Q2048 HydrophobicContact CB-CB 4.23Å; M1986-Q2048 HydrophobicContact CB-CG 4.21Å; M1986-Q2048 HydrophobicContact CG-CG 3.99Å; M1986-Q2048 CarbonylContact O-C 3.57Å; M1986-Q2048 WeakPolarHBondContact O-CA 3.49Å; M1986-Q2048 HydrophobicContact SD-CG 4.06Å; M1986-Y2049 PolarHBondContact O-N 2.89Å; M1986-H2087 WeakPolarHBondContact CG-CE1 3.31Å |
| 1987 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -104.5 | 37 | -174 | -56 | 171.8 | 0 | 0 | 0 | 111.7 | V1985 F2067 V2086 H2087 C2088 R2094 F2098 | V1985-L1987 HydrophobicContact CG1-CD2 3.7Å; V1985-L1987 HydrophobicContact CG1-CG 4.02Å; L1987-F2067 HydrophobicContact CD2-CE1 3.97Å; L1987-V2086 HydrophobicContact CD1-CG1 3.74Å; L1987-V2086 HydrophobicContact CG-CG1 4.49Å; L1987-H2087 WeakPolarHBondContact CB-O 3.35Å; L1987-H2087 PolarHBondContact N-O 3.24Å; L1987-C2088 HydrophobicContact CB-CB 4.15Å; L1987-R2094 HydrophobicContact CB-CB 3.98Å; L1987-R2094 HydrophobicContact CD1-CB 4.12Å; L1987-R2094 WeakPolarHBondContact CD1-O 3.4Å; L1987-R2094 WeakPolarHBondContact O-CD 3.33Å; L1987-R2094 PolarHBondContact O-NH1 3.24Å; L1987-F2098 HydrophobicContact CD1-CB 3.66Å; L1987-F2098 HydrophobicContact CD1-CG 4.23Å; L1987-F2098 HydrophobicContact CD2-CD2 4.19Å | ||
| 1988 | T | 96 | Very high | 94.7 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -159.6 | 152.5 | -174.3 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | M1986 E1992 K1997 C1998 Q2048 R2094 | M1986-T1988 HydrophobicContact CE-CG2 3.93Å; M1986-T1988 WeakPolarHBondContact CE-O 3.33Å; M1986-T1988 HydrophobicContact CG-CG2 4.21Å; T1988-E1992 VanDerWaalsContact CA-OE1 3.25Å; T1988-E1992 WeakPolarHBondContact CA-OE1 3.5Å; T1988-E1992 WeakPolarHBondContact CB-OE1 3.01Å; T1988-E1992 PolarHBondContact OG1-OE1 3.02Å; T1988-K1997 HydrophobicContact CG2-CB 4.36Å; T1988-K1997 VanDerWaalsContact OG1-CB 3.29Å; T1988-K1997 WeakPolarHBondContact OG1-CB 3.24Å; T1988-C1998 HydrophobicContact CG2-CB 4.07Å; T1988-Q2048 PolarHBondContact O-NE2 3.01Å; T1988-Q2048 VanDerWaalsContact O-NE2 3.11Å; T1988-R2094 PolarHBondContact OG1-NH1 2.92Å |
| 1989 | K | 94.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 44 Ų | 44 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | trans | -76.3 | 163.5 | 163.4 | -54.6 | 178.4 | -169.2 | 174 | 0 | 108.9 | R1991 E1992 E2054 | K1989-R1991 WeakPolarHBondContact CB-O 3.48Å; K1989-R1991 PolarHBondContact O-N 2.81Å; K1989-E1992 HydrophobicContact CB-CG 3.84Å; K1989-E1992 HydrophobicContact CD-CG 4.35Å; K1989-E1992 HydrophobicContact CG-CG 4.25Å; K1989-E1992 PolarHBondContact N-OE1 2.71Å; K1989-E2054 IonicContact NZ-OE1 3.84Å; K1989-E2054 PolarHBondContact NZ-OE1 2.89Å | ||
| 1990 | L | 95.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 27% | 0.267 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -59.6 | -37.9 | 174.3 | -70 | 171.9 | 0 | 0 | 0 | 111.7 | M1986 K1997 C1998 Q2000 W2002 | M1986-L1990 HydrophobicContact CE-CD2 4.09Å; L1990-K1997 PolarHBondContact O-N 3.04Å; L1990-C1998 WeakPolarHBondContact CD2-O 3.05Å; L1990-C1998 PolarHBondContact O-N 2.89Å; L1990-Q2000 HydrophobicContact CD1-CB 4.2Å; L1990-Q2000 HydrophobicContact CD2-CB 4.04Å; L1990-W2002 HydrophobicContact CD2-CH2 3.76Å; L1990-W2002 HydrophobicContact CD2-CZ3 4.15Å; L1990-W2002 HydrophobicContact CG-CH2 4.24Å |
| 1991 | R | 93.6 | Very high | 94.7 | Very high | 164 Ų | 164 | 41.8 Ų | 41.8 | 62% | 0.619 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.9 | 173.6 | -52.3 | -178.1 | 77.3 | 122.3 | -2.4 | 110.1 | K1989 G1994 R1995 | K1989-R1991 WeakPolarHBondContact CB-O 3.48Å; K1989-R1991 PolarHBondContact O-N 2.81Å; R1991-G1994 PolarHBondContact NE-O 3.25Å; R1991-G1994 PolarHBondContact NH2-O 2.74Å; R1991-R1995 WeakPolarHBondContact CA-O 3.25Å; R1991-R1995 WeakPolarHBondContact CB-O 3.4Å |
| 1992 | E | 92.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 139.1 | 173.5 | -57.4 | 168.9 | -165.6 | 0 | 0 | 107.9 | T1988 K1989 G1994 R1995 K1997 E2054 R2094 | T1988-E1992 VanDerWaalsContact CA-OE1 3.25Å; T1988-E1992 WeakPolarHBondContact CA-OE1 3.5Å; T1988-E1992 WeakPolarHBondContact CB-OE1 3.01Å; T1988-E1992 PolarHBondContact OG1-OE1 3.02Å; K1989-E1992 HydrophobicContact CB-CG 3.84Å; K1989-E1992 HydrophobicContact CD-CG 4.35Å; K1989-E1992 HydrophobicContact CG-CG 4.25Å; K1989-E1992 PolarHBondContact N-OE1 2.71Å; E1992-G1994 PolarHBondContact O-N 3.48Å; E1992-R1995 PolarHBondContact N-O 3.04Å; E1992-R1995 VanDerWaalsContact N-O 3.09Å; E1992-R1995 PolarHBondContact O-N 2.79Å; E1992-R1995 VanDerWaalsContact O-N 3.13Å; E1992-K1997 HydrophobicContact CB-CD 4.42Å; E1992-K1997 HydrophobicContact CB-CG 3.89Å; E1992-K1997 HydrophobicContact CG-CG 3.9Å; E1992-E2054 VanDerWaalsContact CA-OE2 3.23Å; E1992-E2054 WeakPolarHBondContact CA-OE2 3.41Å; E1992-E2054 HydrophobicContact CB-CB 4.15Å; E1992-E2054 HydrophobicContact CB-CG 3.87Å; E1992-E2054 HydrophobicContact CG-CG 4.02Å; E1992-R2094 IonicContact OE1-CZ 2.59Å; E1992-R2094 IonicContact OE1-NH1 3.13Å; E1992-R2094 PolarHBondContact OE1-NH1 2.93Å; E1992-R2094 IonicContact OE1-NH2 2.68Å; E1992-R2094 IonicContact OE2-CZ 2.82Å; E1992-R2094 IonicContact OE2-NH1 3.48Å; E1992-R2094 PolarHBondContact OE2-NH1 2.83Å; E1992-R2094 VanDerWaalsContact OE2-NH1 3.13Å; E1992-R2094 IonicContact OE2-NH2 3.02Å; E1992-R2094 PolarHBondContact OE2-NH2 3.03Å |
| 1993 | L | 91.1 | Very high | 94.6 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 51% | 0.508 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.6 | -169.3 | -53.1 | -179.6 | 0 | 0 | 0 | 112.2 | R1995 E2054 Q2055 | L1993-R1995 PolarHBondContact O-N 2.85Å; L1993-E2054 HydrophobicContact CD2-CB 3.97Å; L1993-E2054 HydrophobicContact CG-CB 4.14Å; L1993-E2054 PolarHBondContact N-OE2 2.84Å; L1993-Q2055 HydrophobicContact CD1-CG 3.92Å; L1993-Q2055 HydrophobicContact CD2-CG 4.38Å |
| 1994 | G | 85.8 | Confident | 94 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | -17.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1991 E1992 | R1991-G1994 PolarHBondContact NE-O 3.25Å; R1991-G1994 PolarHBondContact NH2-O 2.74Å; E1992-G1994 PolarHBondContact O-N 3.48Å |
| 1995 | R | 90.2 | Very high | 93.4 | Very high | 191 Ų | 191 | 55.3 Ų | 55.3 | 72% | 0.721 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 144.4 | -176.2 | -58.2 | -178.1 | -170.9 | -172.7 | 2.4 | 111.3 | R1991 E1992 L1993 K1997 | R1991-R1995 WeakPolarHBondContact CA-O 3.25Å; R1991-R1995 WeakPolarHBondContact CB-O 3.4Å; E1992-R1995 PolarHBondContact N-O 3.04Å; E1992-R1995 VanDerWaalsContact N-O 3.09Å; E1992-R1995 PolarHBondContact O-N 2.79Å; E1992-R1995 VanDerWaalsContact O-N 3.13Å; L1993-R1995 PolarHBondContact O-N 2.85Å; R1995-K1997 PolarHBondContact O-N 2.98Å |
| 1996 | E | 92.6 | Very high | 92.9 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.4 | 169.9 | -165.9 | -153.1 | 94.5 | 0 | 0 | 109.8 | R1918 | R1918-E1996 IonicContact CZ-OE1 4Å; R1918-E1996 VanDerWaalsContact CZ-OE1 3.23Å; R1918-E1996 IonicContact NH1-OE1 2.78Å; R1918-E1996 PolarHBondContact NH1-OE1 3.03Å; R1918-E1996 IonicContact NH2-OE1 2.73Å; R1918-E1996 PolarHBondContact NH2-OE1 3.4Å |
| 1997 | K | 94.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 23% | 0.226 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -103 | -36.4 | 173.3 | -63.3 | -62.2 | -168 | 172.5 | 0 | 111.5 | R1918 T1988 L1990 E1992 R1995 S2089 | R1918-K1997 PolarHBondContact NE-O 3.47Å; T1988-K1997 HydrophobicContact CG2-CB 4.36Å; T1988-K1997 VanDerWaalsContact OG1-CB 3.29Å; T1988-K1997 WeakPolarHBondContact OG1-CB 3.24Å; L1990-K1997 PolarHBondContact O-N 3.04Å; E1992-K1997 HydrophobicContact CB-CD 4.42Å; E1992-K1997 HydrophobicContact CB-CG 3.89Å; E1992-K1997 HydrophobicContact CG-CG 3.9Å; R1995-K1997 PolarHBondContact O-N 2.98Å; K1997-S2089 WeakPolarHBondContact CA-OG 3.45Å; K1997-S2089 VanDerWaalsContact O-CA 3.27Å; K1997-S2089 WeakPolarHBondContact O-CA 3.46Å; K1997-S2089 VanDerWaalsContact O-CB 3.31Å; K1997-S2089 WeakPolarHBondContact O-CB 3.35Å; K1997-S2089 PolarHBondContact O-OG 3.08Å |
| 1998 | C | 96.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -148.9 | 139 | 179 | -174.3 | 0 | 0 | 0 | 0 | 108 | M1986 T1988 L1990 | M1986-C1998 HydrophobicContact CE-CB 3.79Å; T1988-C1998 HydrophobicContact CG2-CB 4.07Å; L1990-C1998 WeakPolarHBondContact CD2-O 3.05Å; L1990-C1998 PolarHBondContact O-N 2.89Å |
| 1999 | C | 94.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 73.2 Ų | 73.2 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | trans | -73.3 | 158 | 167.7 | 83 | 0 | 0 | 0 | 0 | 109.6 | P1964 Y2001 | P1964-C1999 PolarHBondContact O-N 2.78Å; P1964-C1999 PolarHBondContact O-SG 2.94Å; P1964-C1999 VanDerWaalsContact O-SG 3.32Å; C1999-Y2001 PolarHBondContact O-N 2.85Å | ||
| 2000 | Q | 95.6 | Very high | 92.2 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | trans | -73 | 118.5 | 167 | -172 | 172.3 | -36.3 | 0 | 0 | 108.2 | L1990 W2002 Q2004 | L1990-Q2000 HydrophobicContact CD1-CB 4.2Å; L1990-Q2000 HydrophobicContact CD2-CB 4.04Å; Q2000-W2002 HydrophobicContact CG-CD2 4.03Å; Q2000-W2002 HydrophobicContact CG-CE3 4.27Å; Q2000-W2002 HydrophobicContact CG-CH2 4.48Å; Q2000-W2002 HydrophobicContact CG-CZ2 4.23Å; Q2000-W2002 HydrophobicContact CG-CZ3 4.48Å; Q2000-W2002 WeakPolarHBondContact CG-O 3.19Å; Q2000-W2002 PolarHBondContact NE2-O 2.75Å; Q2000-W2002 VanDerWaalsContact NE2-O 3.08Å; Q2000-Q2004 VanDerWaalsContact NE2-CD 3.33Å | ||
| 2001 | Y | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -111.6 | 2.7 | 179.3 | 59 | -99 | 0 | 0 | 0 | 112.7 | P1964 F1972 W1973 I1984 C1999 F2010 H2046 H2087 | P1964-Y2001 HydrophobicContact CB-CD1 3.78Å; P1964-Y2001 HydrophobicContact CB-CG 4.22Å; P1964-Y2001 HydrophobicContact CG-CD1 3.54Å; P1964-Y2001 HydrophobicContact CG-CE1 3.89Å; P1964-Y2001 HydrophobicContact CG-CG 4.05Å; F1972-Y2001 AromaticContact CD1-CD2 3.97Å; F1972-Y2001 HydrophobicContact CD1-CD2 3.97Å; F1972-Y2001 HydrophobicContact CD1-CE2 4.2Å; F1972-Y2001 HydrophobicContact CD1-CG 4.39Å; F1972-Y2001 AromaticContact CE1-CD2 3.73Å; F1972-Y2001 HydrophobicContact CE1-CD2 3.73Å; F1972-Y2001 AromaticContact CE1-CE2 3.48Å; F1972-Y2001 HydrophobicContact CE1-CE2 3.48Å; F1972-Y2001 VanDerWaalsContact CE1-CE2 3.48Å; F1972-Y2001 HydrophobicContact CE1-CG 4.41Å; F1972-Y2001 AromaticContact CE1-CZ 3.92Å; F1972-Y2001 HydrophobicContact CZ-CE2 4.13Å; W1973-Y2001 HydrophobicContact CZ2-CD2 4.09Å; W1973-Y2001 HydrophobicContact CZ2-CE2 4.5Å; W1973-Y2001 PolarHBondContact NE1-O 2.77Å; I1984-Y2001 HydrophobicContact CD1-CE2 4.5Å; C1999-Y2001 PolarHBondContact O-N 2.85Å; Y2001-F2010 WeakPolarHBondContact O-CE1 3.5Å; Y2001-F2010 WeakPolarHBondContact O-CZ 3.34Å; Y2001-H2046 AromaticContact CE2-CD2 3.99Å; Y2001-H2046 AromaticContact CE2-NE2 3.97Å; Y2001-H2046 AromaticContact CZ-CD2 3.96Å; Y2001-H2046 AromaticContact CZ-NE2 3.56Å; Y2001-H2046 PolarHBondContact OH-CD2 3.09Å; Y2001-H2046 PolarHBondContact OH-NE2 2.83Å; Y2001-H2087 AromaticContact CE1-CE1 3.8Å; Y2001-H2087 AromaticContact CE1-NE2 3.74Å; Y2001-H2087 AromaticContact CZ-NE2 3.65Å; Y2001-H2087 PolarHBondContact OH-NE2 2.82Å | ||
| 2002 | W | 95.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -119.7 | 144.9 | 179.5 | 67.6 | 90.4 | 0 | 0 | 0 | 111.2 | W1973 M1986 L1990 Q2000 R2029 F2031 H2046 | W1973-W2002 HydrophobicContact CZ2-CB 4.29Å; M1986-W2002 HydrophobicContact CE-CH2 3.97Å; M1986-W2002 HydrophobicContact CE-CZ3 4.05Å; M1986-W2002 HydrophobicContact SD-CH2 3.76Å; M1986-W2002 HydrophobicContact SD-CZ3 3.69Å; L1990-W2002 HydrophobicContact CD2-CH2 3.76Å; L1990-W2002 HydrophobicContact CD2-CZ3 4.15Å; L1990-W2002 HydrophobicContact CG-CH2 4.24Å; Q2000-W2002 HydrophobicContact CG-CD2 4.03Å; Q2000-W2002 HydrophobicContact CG-CE3 4.27Å; Q2000-W2002 HydrophobicContact CG-CH2 4.48Å; Q2000-W2002 HydrophobicContact CG-CZ2 4.23Å; Q2000-W2002 HydrophobicContact CG-CZ3 4.48Å; Q2000-W2002 WeakPolarHBondContact CG-O 3.19Å; Q2000-W2002 PolarHBondContact NE2-O 2.75Å; Q2000-W2002 VanDerWaalsContact NE2-O 3.08Å; W2002-R2029 VanDerWaalsContact CZ2-NH1 3.35Å; W2002-F2031 HydrophobicContact CB-CE1 3.97Å; W2002-F2031 HydrophobicContact CB-CE2 4.16Å; W2002-F2031 HydrophobicContact CB-CZ 3.52Å; W2002-F2031 AromaticContact CD1-CZ 3.68Å; W2002-F2031 HydrophobicContact CG-CE1 4.46Å; W2002-F2031 AromaticContact CG-CZ 3.77Å; W2002-F2031 HydrophobicContact CG-CZ 3.77Å; W2002-H2046 AromaticContact CE3-NE2 3.99Å |
| 2003 | P | 92.1 | Very high | 92 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | trans | -69.9 | 153.6 | 171.8 | 27 | -32.2 | 0 | 0 | 0 | 112 | S2006 E2008 V2015 F2031 | P2003-S2006 WeakPolarHBondContact CB-O 3.49Å; P2003-E2008 HydrophobicContact CB-CB 4Å; P2003-E2008 HydrophobicContact CG-CB 4.28Å; P2003-V2015 HydrophobicContact CG-CB 4.17Å; P2003-V2015 HydrophobicContact CG-CG1 3.8Å; P2003-F2031 HydrophobicContact CG-CE1 4.37Å | ||
| 2004 | Q | 85.3 | Confident | 92.2 | Very high | 121 Ų | 121 | 60.3 Ų | 60.3 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -97.5 | -69 | 168.9 | -77.6 | 160.8 | -60.5 | 0 | 0 | 110.7 | Q2000 P2017 | Q2000-Q2004 VanDerWaalsContact NE2-CD 3.33Å; Q2004-P2017 WeakPolarHBondContact O-CG 3.38Å |
| 2005 | D | 85.7 | Confident | 92.8 | Very high | 157 Ų | 157 | 57.7 Ų | 57.7 | 84% | 0.84 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -101.1 | -12.8 | -164.1 | -42.5 | -72.4 | 0 | 0 | 0 | 115.5 | ||
| 2006 | S | 88.6 | Confident | 93 | Very high | 88 Ų | 88 | 51.9 Ų | 51.9 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -151.4 | 161.7 | -173.7 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | P2003 E2008 | P2003-S2006 WeakPolarHBondContact CB-O 3.49Å; S2006-E2008 PolarHBondContact O-N 2.9Å |
| 2007 | S | 92.3 | Very high | 93.1 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | trans | -70.7 | 125 | -177.1 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | V2015 E2016 | S2007-V2015 CarbonylContact C-O 3.48Å; S2007-V2015 VanDerWaalsContact CA-O 3.27Å; S2007-V2015 WeakPolarHBondContact CA-O 3.39Å; S2007-E2016 WeakPolarHBondContact OG-CB 3.38Å | ||
| 2008 | E | 93.7 | Very high | 93.1 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.3 | 177.5 | -174 | 177.4 | -175.1 | 0 | 0 | 111 | R1969 P2003 S2006 F2010 V2015 | R1969-E2008 IonicContact CZ-OE1 4Å; R1969-E2008 IonicContact NH1-OE1 3.26Å; R1969-E2008 PolarHBondContact NH1-OE1 2.8Å; R1969-E2008 IonicContact NH1-OE2 2.78Å; R1969-E2008 PolarHBondContact NH1-OE2 3.46Å; R1969-E2008 IonicContact NH2-OE1 3.96Å; R1969-E2008 PolarHBondContact NH2-OE1 3Å; P2003-E2008 HydrophobicContact CB-CB 4Å; P2003-E2008 HydrophobicContact CG-CB 4.28Å; S2006-E2008 PolarHBondContact O-N 2.9Å; E2008-F2010 HydrophobicContact CB-CE2 3.74Å; E2008-F2010 HydrophobicContact CB-CZ 4.15Å; E2008-F2010 HydrophobicContact CG-CD2 4.36Å; E2008-F2010 HydrophobicContact CG-CE2 3.68Å; E2008-F2010 HydrophobicContact CG-CZ 3.77Å; E2008-F2010 VanDerWaalsContact OE2-CZ 3.25Å; E2008-F2010 WeakPolarHBondContact OE2-CZ 3.38Å; E2008-V2015 PolarHBondContact N-O 3.35Å; E2008-V2015 PolarHBondContact O-N 2.9Å |
| 2009 | R | 93.4 | Very high | 92.9 | Very high | 163 Ų | 163 | 52.7 Ų | 52.7 | 62% | 0.615 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.8 | -179 | -178.7 | 178.7 | 171.1 | 169.9 | 0.1 | 111.4 | G2011 L2013 V2014 | R2009-G2011 PolarHBondContact NE-O 2.8Å; R2009-G2011 PolarHBondContact NH2-O 3.17Å; R2009-G2011 VanDerWaalsContact NH2-O 3.09Å; R2009-L2013 CarbonylContact C-O 3.42Å; R2009-L2013 WeakPolarHBondContact CA-O 3.12Å; R2009-V2014 HydrophobicContact CG-CG2 4.41Å |
| 2010 | F | 92.3 | Very high | 93 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 99.7 | 178.3 | -58.2 | -96.2 | 0 | 0 | 0 | 108 | R1969 W1973 Y2001 E2008 Y2012 L2013 V2015 | R1969-F2010 HydrophobicContact CB-CD1 3.88Å; R1969-F2010 HydrophobicContact CB-CE1 3.88Å; R1969-F2010 VanDerWaalsContact CZ-CE1 3.41Å; W1973-F2010 HydrophobicContact CB-CB 4.31Å; W1973-F2010 AromaticContact CD1-CD1 3.49Å; W1973-F2010 VanDerWaalsContact CD1-CD1 3.49Å; W1973-F2010 AromaticContact CD1-CD2 3.73Å; W1973-F2010 AromaticContact CD1-CE1 3.78Å; W1973-F2010 AromaticContact CD1-CG 3.45Å; W1973-F2010 VanDerWaalsContact CD1-CG 3.45Å; W1973-F2010 HydrophobicContact CG-CB 4.37Å; W1973-F2010 HydrophobicContact CG-CD2 4.36Å; W1973-F2010 HydrophobicContact CG-CG 4.2Å; W1973-F2010 AromaticContact NE1-CD1 3.93Å; W1973-F2010 AromaticContact NE1-CD2 3.89Å; W1973-F2010 AromaticContact NE1-CE1 3.72Å; W1973-F2010 AromaticContact NE1-CE2 3.71Å; W1973-F2010 AromaticContact NE1-CZ 3.62Å; Y2001-F2010 WeakPolarHBondContact O-CE1 3.5Å; Y2001-F2010 WeakPolarHBondContact O-CZ 3.34Å; E2008-F2010 HydrophobicContact CB-CE2 3.74Å; E2008-F2010 HydrophobicContact CB-CZ 4.15Å; E2008-F2010 HydrophobicContact CG-CD2 4.36Å; E2008-F2010 HydrophobicContact CG-CE2 3.68Å; E2008-F2010 HydrophobicContact CG-CZ 3.77Å; E2008-F2010 VanDerWaalsContact OE2-CZ 3.25Å; E2008-F2010 WeakPolarHBondContact OE2-CZ 3.38Å; F2010-Y2012 PolarHBondContact O-N 3.25Å; F2010-L2013 PolarHBondContact N-O 3.24Å; F2010-L2013 PolarHBondContact O-N 2.68Å; F2010-V2015 HydrophobicContact CD2-CB 4.23Å; F2010-V2015 HydrophobicContact CD2-CG2 3.55Å; F2010-V2015 HydrophobicContact CE2-CB 3.94Å; F2010-V2015 HydrophobicContact CE2-CG2 3.66Å |
| 2011 | G | 89.6 | Confident | 92.9 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -104.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1970 R2009 | D1970-G2011 PolarHBondContact OD2-N 2.92Å; R2009-G2011 PolarHBondContact NE-O 2.8Å; R2009-G2011 PolarHBondContact NH2-O 3.17Å; R2009-G2011 VanDerWaalsContact NH2-O 3.09Å |
| 2012 | Y | 91.9 | Very high | 92.8 | Very high | 39 Ų | 39 | 64.6 Ų | 64.6 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 1.5 | 175.2 | 60.2 | -101.4 | 0 | 0 | 0 | 113.6 | R1974 E1978 F2010 C2036 R2037 | R1974-Y2012 WeakPolarHBondContact CD-OH 3.47Å; R1974-Y2012 WeakPolarHBondContact CG-OH 3.34Å; E1978-Y2012 PolarHBondContact OE1-OH 2.99Å; F2010-Y2012 PolarHBondContact O-N 3.25Å; Y2012-C2036 PolarHBondContact O-N 2.63Å; Y2012-C2036 PolarHBondContact O-SG 2.54Å; Y2012-R2037 VanDerWaalsContact CD2-CZ 3.47Å; Y2012-R2037 HydrophobicContact CG-CG 4.46Å |
| 2013 | L | 96.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 138.4 | 177.8 | -64.4 | 167.9 | 0 | 0 | 0 | 109.8 | W1973 W1977 R2009 F2010 L2033 A2034 D2035 | W1973-L2013 VanDerWaalsContact C-CD1 3.43Å; W1973-L2013 HydrophobicContact CB-CD1 3.98Å; W1973-L2013 VanDerWaalsContact O-CD1 3.3Å; W1973-L2013 WeakPolarHBondContact O-CD1 3.48Å; W1977-L2013 HydrophobicContact CB-CD1 3.83Å; W1977-L2013 HydrophobicContact CB-CD2 4Å; W1977-L2013 HydrophobicContact CD2-CD2 3.77Å; W1977-L2013 HydrophobicContact CE3-CD2 4Å; W1977-L2013 HydrophobicContact CG-CD1 4.43Å; W1977-L2013 HydrophobicContact CG-CD2 3.75Å; R2009-L2013 CarbonylContact C-O 3.42Å; R2009-L2013 WeakPolarHBondContact CA-O 3.12Å; F2010-L2013 PolarHBondContact N-O 3.24Å; F2010-L2013 PolarHBondContact O-N 2.68Å; L2013-L2033 HydrophobicContact CB-CD1 3.88Å; L2013-L2033 HydrophobicContact CD1-CD1 4.25Å; L2013-L2033 HydrophobicContact CD2-CD1 4.19Å; L2013-L2033 HydrophobicContact CD2-CG 4.39Å; L2013-L2033 HydrophobicContact CG-CD1 4.32Å; L2013-A2034 CarbonylContact C-O 3.51Å; L2013-A2034 WeakPolarHBondContact CA-O 3.15Å; L2013-D2035 HydrophobicContact CD2-CB 4.1Å |
| 2014 | V | 96 | Very high | 92.1 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 26% | 0.261 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.9 | 169.7 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | R2009 L2033 A2034 | R2009-V2014 HydrophobicContact CG-CG2 4.41Å; V2014-L2033 WeakPolarHBondContact O-CA 3.26Å; V2014-A2034 PolarHBondContact N-O 2.89Å; V2014-A2034 PolarHBondContact O-N 2.9Å |
| 2015 | V | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.5 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | W1973 P2003 S2007 E2008 F2010 F2031 L2033 | W1973-V2015 HydrophobicContact CD2-CG2 3.61Å; W1973-V2015 HydrophobicContact CE3-CG2 3.81Å; W1973-V2015 HydrophobicContact CG-CG2 4.16Å; W1973-V2015 HydrophobicContact CH2-CG1 3.71Å; W1973-V2015 HydrophobicContact CH2-CG2 4.07Å; W1973-V2015 HydrophobicContact CZ2-CB 4.44Å; W1973-V2015 HydrophobicContact CZ2-CG1 3.77Å; W1973-V2015 HydrophobicContact CZ2-CG2 3.87Å; W1973-V2015 HydrophobicContact CZ3-CG1 4.26Å; W1973-V2015 HydrophobicContact CZ3-CG2 4.03Å; P2003-V2015 HydrophobicContact CG-CB 4.17Å; P2003-V2015 HydrophobicContact CG-CG1 3.8Å; S2007-V2015 CarbonylContact C-O 3.48Å; S2007-V2015 VanDerWaalsContact CA-O 3.27Å; S2007-V2015 WeakPolarHBondContact CA-O 3.39Å; E2008-V2015 PolarHBondContact N-O 3.35Å; E2008-V2015 PolarHBondContact O-N 2.9Å; F2010-V2015 HydrophobicContact CD2-CB 4.23Å; F2010-V2015 HydrophobicContact CD2-CG2 3.55Å; F2010-V2015 HydrophobicContact CE2-CB 3.94Å; F2010-V2015 HydrophobicContact CE2-CG2 3.66Å; V2015-F2031 HydrophobicContact CG1-CB 4.03Å; V2015-F2031 HydrophobicContact CG1-CD1 3.72Å; V2015-F2031 HydrophobicContact CG1-CE1 4.46Å; V2015-F2031 HydrophobicContact CG1-CG 4.01Å; V2015-L2033 HydrophobicContact CG2-CD1 3.84Å |
| 2016 | E | 94.7 | Very high | 92.6 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.4 | -179 | 174.7 | -179 | 166.2 | 0 | 0 | 108.8 | S2007 F2031 K2032 | S2007-E2016 WeakPolarHBondContact OG-CB 3.38Å; E2016-F2031 CarbonylContact O-C 3.51Å; E2016-F2031 WeakPolarHBondContact O-CA 3.32Å; E2016-K2032 HydrophobicContact CB-CB 4.14Å; E2016-K2032 PolarHBondContact N-O 3.15Å; E2016-K2032 PolarHBondContact O-N 2.87Å; E2016-K2032 IonicContact OE1-NZ 3.2Å; E2016-K2032 PolarHBondContact OE1-NZ 2.65Å; E2016-K2032 VanDerWaalsContact OE2-CD 3.31Å; E2016-K2032 WeakPolarHBondContact OE2-CD 3.35Å; E2016-K2032 WeakPolarHBondContact OE2-CE 3.31Å; E2016-K2032 IonicContact OE2-NZ 2.73Å; E2016-K2032 PolarHBondContact OE2-NZ 3.11Å |
| 2017 | P | 96.1 | Very high | 93 | Very high | 43 Ų | 43 | 57.8 Ų | 57.8 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 131 | 176.4 | 28.5 | -32.4 | 0 | 0 | 0 | 110.5 | Q2004 F2031 | Q2004-P2017 WeakPolarHBondContact O-CG 3.38Å; P2017-F2031 HydrophobicContact CB-CD1 4.31Å; P2017-F2031 HydrophobicContact CB-CE1 4.29Å |
| 2018 | I | 94.5 | Very high | 93.2 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 46% | 0.456 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -51.1 | 178.3 | -50.5 | 174.1 | 0 | 0 | 0 | 110.5 | E2030 K2032 T2043 | I2018-E2030 HydrophobicContact CB-CB 4.14Å; I2018-E2030 WeakPolarHBondContact CB-O 3.26Å; I2018-E2030 HydrophobicContact CD1-CB 4.32Å; I2018-E2030 PolarHBondContact N-O 3.33Å; I2018-K2032 HydrophobicContact CD1-CB 3.92Å; I2018-K2032 HydrophobicContact CG1-CB 4.05Å; I2018-T2043 HydrophobicContact CD1-CG2 4.19Å |
| 2019 | A | 92.5 | Very high | 93.3 | Very high | 28 Ų | 28 | 54 Ų | 54 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 153.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y2021 R2029 E2030 | A2019-Y2021 HydrophobicContact CB-CD2 4.47Å; A2019-Y2021 HydrophobicContact CB-CE2 3.68Å; A2019-R2029 CarbonylContact O-C 3.44Å; A2019-R2029 WeakPolarHBondContact O-CA 3.28Å; A2019-E2030 PolarHBondContact N-O 3.02Å; A2019-E2030 PolarHBondContact O-N 3.18Å |
| 2020 | E | 94.7 | Very high | 93.4 | Very high | 94 Ų | 94 | 47.7 Ų | 47.7 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.2 | 164.9 | -176.2 | 177 | 107.2 | 0 | 0 | 109.9 | N2022 V2027 L2028 R2029 | E2020-N2022 PolarHBondContact OE1-ND2 2.85Å; E2020-V2027 HydrophobicContact CG-CG1 3.48Å; E2020-V2027 VanDerWaalsContact CG-CG1 3.48Å; E2020-L2028 CarbonylContact C-O 3.54Å; E2020-L2028 WeakPolarHBondContact CA-O 3.35Å; E2020-R2029 HydrophobicContact CB-CG 4.25Å; E2020-R2029 HydrophobicContact CG-CG 3.91Å; E2020-R2029 IonicContact OE2-CZ 3.77Å; E2020-R2029 IonicContact OE2-NE 2.77Å; E2020-R2029 PolarHBondContact OE2-NE 2.88Å; E2020-R2029 IonicContact OE2-NH2 2.82Å; E2020-R2029 PolarHBondContact OE2-NH2 2.87Å |
| 2021 | Y | 94.1 | Very high | 93.6 | Very high | 122 Ų | 122 | 47.8 Ų | 47.8 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 115.7 | 176.3 | -53.8 | -81.1 | 0 | 0 | 0 | 108.8 | A2019 L2028 E2030 | A2019-Y2021 HydrophobicContact CB-CD2 4.47Å; A2019-Y2021 HydrophobicContact CB-CE2 3.68Å; Y2021-L2028 HydrophobicContact CD2-CD2 4.28Å; Y2021-L2028 HydrophobicContact CD2-CG 4.21Å; Y2021-L2028 PolarHBondContact N-O 3.11Å; Y2021-L2028 PolarHBondContact O-N 3.43Å; Y2021-E2030 HydrophobicContact CE2-CG 4.42Å |
| 2022 | N | 92 | Very high | 93.9 | Very high | 111 Ų | 111 | 49.5 Ų | 49.5 | 59% | 0.594 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 110.6 | 176.7 | -75.3 | -82.2 | 0 | 0 | 0 | 109 | E2020 V2027 | E2020-N2022 PolarHBondContact OE1-ND2 2.85Å; N2022-V2027 WeakPolarHBondContact OD1-CG1 3.19Å; N2022-V2027 VanDerWaalsContact OD1-CG2 3.25Å; N2022-V2027 WeakPolarHBondContact OD1-CG2 3.41Å |
| 2023 | M | 91 | Very high | 94.1 | Very high | 89 Ų | 89 | 47.7 Ų | 47.7 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 161.8 | 177.5 | -59.2 | -67 | -72 | 0 | 0 | 109.6 | Q2025 Y2026 | M2023-Q2025 PolarHBondContact O-N 2.95Å; M2023-Y2026 CarbonylContact C-O 3.51Å; M2023-Y2026 WeakPolarHBondContact CA-O 3.28Å; M2023-Y2026 HydrophobicContact CB-CD1 3.93Å; M2023-Y2026 HydrophobicContact CB-CD2 4.24Å; M2023-Y2026 HydrophobicContact CB-CE1 3.79Å; M2023-Y2026 HydrophobicContact CB-CE2 4.1Å; M2023-Y2026 HydrophobicContact CB-CG 4.16Å; M2023-Y2026 VanDerWaalsContact CB-O 3.26Å; M2023-Y2026 WeakPolarHBondContact CB-O 3.21Å; M2023-Y2026 HydrophobicContact CG-CD2 4.28Å; M2023-Y2026 HydrophobicContact CG-CE1 4.09Å; M2023-Y2026 HydrophobicContact CG-CE2 3.74Å; M2023-Y2026 PolarHBondContact N-O 3.26Å; M2023-Y2026 PolarHBondContact O-N 2.59Å |
| 2024 | P | 83.4 | Confident | 94 | Very high | 114 Ų | 114 | 48.7 Ų | 48.7 | 74% | 0.74 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.1 | -171.3 | -28.1 | 36.7 | 0 | 0 | 0 | 115.6 | ||
| 2025 | Q | 87.7 | Confident | 94 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 3 | -177.8 | 80.3 | -74.6 | 28.4 | 0 | 0 | 115 | M2023 Y2049 T2050 E2051 L2063 D2066 | M2023-Q2025 PolarHBondContact O-N 2.95Å; Q2025-Y2049 HydrophobicContact CB-CE2 4.43Å; Q2025-Y2049 HydrophobicContact CG-CE2 4.06Å; Q2025-Y2049 WeakPolarHBondContact O-CD2 3.3Å; Q2025-T2050 VanDerWaalsContact C-OG1 3.24Å; Q2025-T2050 PolarHBondContact O-N 2.75Å; Q2025-T2050 VanDerWaalsContact O-N 3.11Å; Q2025-T2050 PolarHBondContact O-OG1 2.75Å; Q2025-E2051 HydrophobicContact CB-CG 3.67Å; Q2025-L2063 HydrophobicContact CB-CB 4.33Å; Q2025-L2063 HydrophobicContact CB-CD1 4.33Å; Q2025-L2063 HydrophobicContact CB-CD2 4.24Å; Q2025-L2063 HydrophobicContact CG-CB 4.12Å; Q2025-L2063 HydrophobicContact CG-CD2 4.24Å; Q2025-D2066 PolarHBondContact NE2-OD2 3.04Å |
| 2026 | Y | 93.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 159.8 | 177.5 | 68 | -86.5 | 0 | 0 | 0 | 113.4 | M2023 L2028 F2047 Q2048 F2067 | M2023-Y2026 CarbonylContact C-O 3.51Å; M2023-Y2026 WeakPolarHBondContact CA-O 3.28Å; M2023-Y2026 HydrophobicContact CB-CD1 3.93Å; M2023-Y2026 HydrophobicContact CB-CD2 4.24Å; M2023-Y2026 HydrophobicContact CB-CE1 3.79Å; M2023-Y2026 HydrophobicContact CB-CE2 4.1Å; M2023-Y2026 HydrophobicContact CB-CG 4.16Å; M2023-Y2026 VanDerWaalsContact CB-O 3.26Å; M2023-Y2026 WeakPolarHBondContact CB-O 3.21Å; M2023-Y2026 HydrophobicContact CG-CD2 4.28Å; M2023-Y2026 HydrophobicContact CG-CE1 4.09Å; M2023-Y2026 HydrophobicContact CG-CE2 3.74Å; M2023-Y2026 PolarHBondContact N-O 3.26Å; M2023-Y2026 PolarHBondContact O-N 2.59Å; Y2026-L2028 HydrophobicContact CD2-CB 4.33Å; Y2026-L2028 HydrophobicContact CE2-CB 4.06Å; Y2026-F2047 AromaticContact CD2-CD1 3.93Å; Y2026-F2047 HydrophobicContact CD2-CD1 3.93Å; Y2026-F2047 AromaticContact CE2-CD1 3.74Å; Y2026-F2047 HydrophobicContact CE2-CD1 3.74Å; Y2026-F2047 AromaticContact CE2-CE1 3.94Å; Y2026-F2047 HydrophobicContact CE2-CE1 3.94Å; Y2026-Q2048 CarbonylContact C-O 3.56Å; Y2026-Q2048 WeakPolarHBondContact CA-O 3.44Å; Y2026-Q2048 VanDerWaalsContact CB-O 3.26Å; Y2026-Q2048 WeakPolarHBondContact CB-O 3.49Å; Y2026-F2067 AromaticContact CD1-CD2 3.7Å; Y2026-F2067 HydrophobicContact CD1-CD2 3.7Å; Y2026-F2067 HydrophobicContact CD1-CE2 4.27Å; Y2026-F2067 HydrophobicContact CD2-CD2 4.32Å; Y2026-F2067 HydrophobicContact CD2-CE2 4.14Å; Y2026-F2067 HydrophobicContact CE1-CD2 4.33Å; Y2026-F2067 AromaticContact CG-CD2 3.68Å; Y2026-F2067 HydrophobicContact CG-CD2 3.68Å; Y2026-F2067 AromaticContact CG-CE2 3.77Å; Y2026-F2067 HydrophobicContact CG-CE2 3.77Å |
| 2027 | V | 95.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.8 | 169.6 | -168.9 | 0 | 0 | 0 | 0 | 109.7 | E2020 N2022 F2047 Q2048 T2050 | E2020-V2027 HydrophobicContact CG-CG1 3.48Å; E2020-V2027 VanDerWaalsContact CG-CG1 3.48Å; N2022-V2027 WeakPolarHBondContact OD1-CG1 3.19Å; N2022-V2027 VanDerWaalsContact OD1-CG2 3.25Å; N2022-V2027 WeakPolarHBondContact OD1-CG2 3.41Å; V2027-F2047 CarbonylContact O-C 3.6Å; V2027-Q2048 HydrophobicContact CB-CB 4.49Å; V2027-Q2048 PolarHBondContact N-O 2.71Å; V2027-Q2048 PolarHBondContact O-N 3.34Å; V2027-T2050 HydrophobicContact CG2-CG2 4.19Å |
| 2028 | L | 96.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 119 | 173.9 | 169.4 | 59.4 | 0 | 0 | 0 | 109.9 | E2020 Y2021 Y2026 R2045 H2046 F2047 | E2020-L2028 CarbonylContact C-O 3.54Å; E2020-L2028 WeakPolarHBondContact CA-O 3.35Å; Y2021-L2028 HydrophobicContact CD2-CD2 4.28Å; Y2021-L2028 HydrophobicContact CD2-CG 4.21Å; Y2021-L2028 PolarHBondContact N-O 3.11Å; Y2021-L2028 PolarHBondContact O-N 3.43Å; Y2026-L2028 HydrophobicContact CD2-CB 4.33Å; Y2026-L2028 HydrophobicContact CE2-CB 4.06Å; L2028-R2045 HydrophobicContact CD1-CB 4.16Å; L2028-H2046 CarbonylContact C-O 3.58Å; L2028-H2046 WeakPolarHBondContact CA-O 3.22Å; L2028-F2047 HydrophobicContact CD1-CD1 4.16Å; L2028-F2047 HydrophobicContact CD1-CD2 3.99Å; L2028-F2047 HydrophobicContact CD1-CE1 3.94Å; L2028-F2047 HydrophobicContact CD1-CE2 3.75Å; L2028-F2047 HydrophobicContact CD1-CG 4.18Å; L2028-F2047 HydrophobicContact CD1-CZ 3.7Å; L2028-F2047 HydrophobicContact CD2-CE1 4.13Å; L2028-F2047 HydrophobicContact CD2-CZ 4.15Å; L2028-F2047 HydrophobicContact CG-CE1 4.44Å |
| 2029 | R | 96.9 | Very high | 92.7 | Very high | 25 Ų | 25 | 55 Ų | 55 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.1 | 171.4 | -60.4 | 172.3 | -179.4 | 93.8 | 25.3 | 110.5 | W2002 A2019 E2020 F2031 H2046 | W2002-R2029 VanDerWaalsContact CZ2-NH1 3.35Å; A2019-R2029 CarbonylContact O-C 3.44Å; A2019-R2029 WeakPolarHBondContact O-CA 3.28Å; E2020-R2029 HydrophobicContact CB-CG 4.25Å; E2020-R2029 HydrophobicContact CG-CG 3.91Å; E2020-R2029 IonicContact OE2-CZ 3.77Å; E2020-R2029 IonicContact OE2-NE 2.77Å; E2020-R2029 PolarHBondContact OE2-NE 2.88Å; E2020-R2029 IonicContact OE2-NH2 2.82Å; E2020-R2029 PolarHBondContact OE2-NH2 2.87Å; R2029-F2031 HydrophobicContact CB-CD2 4.35Å; R2029-F2031 HydrophobicContact CB-CE2 3.54Å; R2029-F2031 HydrophobicContact CB-CZ 3.69Å; R2029-F2031 HydrophobicContact CG-CZ 4.31Å; R2029-H2046 HydrophobicContact CB-CB 4.19Å; R2029-H2046 PolarHBondContact N-O 3.03Å; R2029-H2046 PolarHBondContact O-N 3.01Å |
| 2030 | E | 95.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 15% | 0.15 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.3 | 167.5 | -60.9 | -149.9 | 158.9 | 0 | 0 | 110.3 | I2018 A2019 Y2021 R2045 | I2018-E2030 HydrophobicContact CB-CB 4.14Å; I2018-E2030 WeakPolarHBondContact CB-O 3.26Å; I2018-E2030 HydrophobicContact CD1-CB 4.32Å; I2018-E2030 PolarHBondContact N-O 3.33Å; A2019-E2030 PolarHBondContact N-O 3.02Å; A2019-E2030 PolarHBondContact O-N 3.18Å; Y2021-E2030 HydrophobicContact CE2-CG 4.42Å; E2030-R2045 HydrophobicContact CG-CG 4.28Å; E2030-R2045 IonicContact OE1-CZ 2.72Å; E2030-R2045 IonicContact OE1-NE 2.7Å; E2030-R2045 PolarHBondContact OE1-NE 2.81Å; E2030-R2045 IonicContact OE1-NH2 2.7Å; E2030-R2045 PolarHBondContact OE1-NH2 3.03Å; E2030-R2045 IonicContact OE2-NH2 3.31Å; E2030-R2045 PolarHBondContact OE2-NH2 2.85Å |
| 2031 | F | 96.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.2 | 177.8 | -58.9 | -78.8 | 0 | 0 | 0 | 111 | W1973 W2002 P2003 V2015 E2016 P2017 R2029 T2043 V2044 H2046 | W1973-F2031 HydrophobicContact CH2-CD2 4.22Å; W1973-F2031 HydrophobicContact CH2-CG 4.38Å; W2002-F2031 HydrophobicContact CB-CE1 3.97Å; W2002-F2031 HydrophobicContact CB-CE2 4.16Å; W2002-F2031 HydrophobicContact CB-CZ 3.52Å; W2002-F2031 AromaticContact CD1-CZ 3.68Å; W2002-F2031 HydrophobicContact CG-CE1 4.46Å; W2002-F2031 AromaticContact CG-CZ 3.77Å; W2002-F2031 HydrophobicContact CG-CZ 3.77Å; P2003-F2031 HydrophobicContact CG-CE1 4.37Å; V2015-F2031 HydrophobicContact CG1-CB 4.03Å; V2015-F2031 HydrophobicContact CG1-CD1 3.72Å; V2015-F2031 HydrophobicContact CG1-CE1 4.46Å; V2015-F2031 HydrophobicContact CG1-CG 4.01Å; E2016-F2031 CarbonylContact O-C 3.51Å; E2016-F2031 WeakPolarHBondContact O-CA 3.32Å; P2017-F2031 HydrophobicContact CB-CD1 4.31Å; P2017-F2031 HydrophobicContact CB-CE1 4.29Å; R2029-F2031 HydrophobicContact CB-CD2 4.35Å; R2029-F2031 HydrophobicContact CB-CE2 3.54Å; R2029-F2031 HydrophobicContact CB-CZ 3.69Å; R2029-F2031 HydrophobicContact CG-CZ 4.31Å; F2031-T2043 CarbonylContact O-C 3.55Å; F2031-T2043 WeakPolarHBondContact O-CA 3.39Å; F2031-V2044 PolarHBondContact N-O 3.25Å; F2031-V2044 PolarHBondContact O-N 3.46Å; F2031-H2046 HydrophobicContact CD2-CB 4.26Å; F2031-H2046 HydrophobicContact CE2-CB 3.8Å |
| 2032 | K | 95.5 | Very high | 92.6 | Very high | 77 Ų | 77 | 54.8 Ų | 54.8 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 110.3 | 165.9 | 168.1 | 173 | 155.6 | -139.8 | 0 | 107.6 | E2016 I2018 | E2016-K2032 HydrophobicContact CB-CB 4.14Å; E2016-K2032 PolarHBondContact N-O 3.15Å; E2016-K2032 PolarHBondContact O-N 2.87Å; E2016-K2032 IonicContact OE1-NZ 3.2Å; E2016-K2032 PolarHBondContact OE1-NZ 2.65Å; E2016-K2032 VanDerWaalsContact OE2-CD 3.31Å; E2016-K2032 WeakPolarHBondContact OE2-CD 3.35Å; E2016-K2032 WeakPolarHBondContact OE2-CE 3.31Å; E2016-K2032 IonicContact OE2-NZ 2.73Å; E2016-K2032 PolarHBondContact OE2-NZ 3.11Å; I2018-K2032 HydrophobicContact CD1-CB 3.92Å; I2018-K2032 HydrophobicContact CG1-CB 4.05Å |
| 2033 | L | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.3 | 177.2 | 179.5 | 64.4 | 0 | 0 | 0 | 108.4 | W1973 L1976 W1977 L2013 V2014 V2015 S2041 K2042 V2044 | W1973-L2033 HydrophobicContact CD2-CD1 4.41Å; W1973-L2033 HydrophobicContact CE3-CD1 3.66Å; W1973-L2033 HydrophobicContact CE3-CD2 4.1Å; W1973-L2033 HydrophobicContact CE3-CG 4.44Å; W1973-L2033 HydrophobicContact CZ3-CD1 4.2Å; W1973-L2033 HydrophobicContact CZ3-CD2 4.47Å; L1976-L2033 HydrophobicContact CB-CD2 4.39Å; W1977-L2033 HydrophobicContact CB-CD2 4.38Å; W1977-L2033 HydrophobicContact CE3-CD2 3.9Å; W1977-L2033 HydrophobicContact CE3-CG 3.96Å; W1977-L2033 HydrophobicContact CZ3-CG 4.44Å; L2013-L2033 HydrophobicContact CB-CD1 3.88Å; L2013-L2033 HydrophobicContact CD1-CD1 4.25Å; L2013-L2033 HydrophobicContact CD2-CD1 4.19Å; L2013-L2033 HydrophobicContact CD2-CG 4.39Å; L2013-L2033 HydrophobicContact CG-CD1 4.32Å; V2014-L2033 WeakPolarHBondContact O-CA 3.26Å; V2015-L2033 HydrophobicContact CG2-CD1 3.84Å; L2033-S2041 CarbonylContact O-C 3.57Å; L2033-S2041 WeakPolarHBondContact O-CA 3.41Å; L2033-S2041 WeakPolarHBondContact O-CB 3.47Å; L2033-K2042 PolarHBondContact N-O 3.36Å; L2033-K2042 PolarHBondContact O-N 3Å; L2033-V2044 HydrophobicContact CB-CG2 3.81Å; L2033-V2044 HydrophobicContact CD2-CG2 3.93Å |
| 2034 | A | 94.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 48 Ų | 48 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2013 V2014 Q2040 | L2013-A2034 CarbonylContact C-O 3.51Å; L2013-A2034 WeakPolarHBondContact CA-O 3.15Å; V2014-A2034 PolarHBondContact N-O 2.89Å; V2014-A2034 PolarHBondContact O-N 2.9Å; A2034-Q2040 WeakPolarHBondContact CA-O 3.44Å |
| 2035 | D | 94.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.011 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 110.4 | 175.5 | -176.9 | -16.3 | 0 | 0 | 0 | 110.1 | W1977 L2013 R2037 N2038 G2039 Q2040 | W1977-D2035 HydrophobicContact CD2-CB 4.44Å; W1977-D2035 HydrophobicContact CH2-CB 3.93Å; W1977-D2035 HydrophobicContact CZ2-CB 3.45Å; W1977-D2035 VanDerWaalsContact CZ2-CB 3.45Å; W1977-D2035 PolarHBondContact NE1-OD2 2.9Å; L2013-D2035 HydrophobicContact CD2-CB 4.1Å; D2035-R2037 PolarHBondContact O-N 3.47Å; D2035-R2037 VanDerWaalsContact OD1-CB 3.24Å; D2035-R2037 WeakPolarHBondContact OD1-CB 2.8Å; D2035-R2037 VanDerWaalsContact OD1-CG 3.31Å; D2035-R2037 WeakPolarHBondContact OD1-CG 3.31Å; D2035-R2037 IonicContact OD1-CZ 3.8Å; D2035-R2037 PolarHBondContact OD1-N 3.23Å; D2035-R2037 IonicContact OD1-NE 2.73Å; D2035-R2037 PolarHBondContact OD1-NE 2.77Å; D2035-R2037 IonicContact OD1-NH2 2.68Å; D2035-R2037 IonicContact OD2-CZ 2.77Å; D2035-R2037 IonicContact OD2-NE 3.93Å; D2035-R2037 PolarHBondContact OD2-NE 2.92Å; D2035-R2037 IonicContact OD2-NH2 2.67Å; D2035-R2037 PolarHBondContact OD2-NH2 2.84Å; D2035-N2038 PolarHBondContact O-N 2.82Å; D2035-N2038 PolarHBondContact O-OD1 3.31Å; D2035-G2039 PolarHBondContact O-N 3.05Å; D2035-Q2040 PolarHBondContact N-O 2.87Å |
| 2036 | C | 92 | Very high | 94 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 48% | 0.48 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -4.5 | -174.5 | 78.4 | 0 | 0 | 0 | 0 | 113.7 | Y2012 | Y2012-C2036 PolarHBondContact O-N 2.63Å; Y2012-C2036 PolarHBondContact O-SG 2.54Å |
| 2037 | R | 89.9 | Confident | 94.2 | Very high | 151 Ų | 151 | 42.6 Ų | 42.6 | 57% | 0.57 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -23.8 | 178.1 | -53.4 | 171.2 | -62.9 | 176 | 7.1 | 112.8 | Y2012 D2035 | Y2012-R2037 VanDerWaalsContact CD2-CZ 3.47Å; Y2012-R2037 HydrophobicContact CG-CG 4.46Å; D2035-R2037 PolarHBondContact O-N 3.47Å; D2035-R2037 VanDerWaalsContact OD1-CB 3.24Å; D2035-R2037 WeakPolarHBondContact OD1-CB 2.8Å; D2035-R2037 VanDerWaalsContact OD1-CG 3.31Å; D2035-R2037 WeakPolarHBondContact OD1-CG 3.31Å; D2035-R2037 IonicContact OD1-CZ 3.8Å; D2035-R2037 PolarHBondContact OD1-N 3.23Å; D2035-R2037 IonicContact OD1-NE 2.73Å; D2035-R2037 PolarHBondContact OD1-NE 2.77Å; D2035-R2037 IonicContact OD1-NH2 2.68Å; D2035-R2037 IonicContact OD2-CZ 2.77Å; D2035-R2037 IonicContact OD2-NE 3.93Å; D2035-R2037 PolarHBondContact OD2-NE 2.92Å; D2035-R2037 IonicContact OD2-NH2 2.67Å; D2035-R2037 PolarHBondContact OD2-NH2 2.84Å |
| 2038 | N | 89.4 | Confident | 94.3 | Very high | 85 Ų | 85 | 43 Ų | 43 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.6 | -4.7 | -175.5 | 70.8 | 11.7 | 0 | 0 | 0 | 115 | D2035 Q2040 | D2035-N2038 PolarHBondContact O-N 2.82Å; D2035-N2038 PolarHBondContact O-OD1 3.31Å; N2038-Q2040 PolarHBondContact ND2-OE1 2.05Å; N2038-Q2040 PolarHBondContact O-N 2.9Å; N2038-Q2040 VanDerWaalsContact OD1-CB 3.31Å; N2038-Q2040 WeakPolarHBondContact OD1-CB 3.43Å; N2038-Q2040 WeakPolarHBondContact OD1-CG 3.47Å; N2038-Q2040 PolarHBondContact OD1-N 3.23Å |
| 2039 | G | 83.9 | Confident | 94.3 | Very high | 65 Ų | 65 | 42 Ų | 42 | 67% | 0.67 | 23% | 0.229 | S | C | * | . | trans | 74.3 | 2.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D2035 | D2035-G2039 PolarHBondContact O-N 3.05Š| ||
| 2040 | Q | 92.9 | Very high | 94.1 | Very high | 120 Ų | 120 | 42.8 Ų | 42.8 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | trans | -68.9 | 146.9 | 173.8 | -65.3 | -177.7 | -12.8 | 0 | 0 | 110.2 | W1977 A2034 D2035 N2038 | W1977-Q2040 HydrophobicContact CH2-CB 3.84Å; W1977-Q2040 WeakPolarHBondContact CH2-O 3.41Å; W1977-Q2040 HydrophobicContact CZ2-CB 4.07Å; A2034-Q2040 WeakPolarHBondContact CA-O 3.44Å; D2035-Q2040 PolarHBondContact N-O 2.87Å; N2038-Q2040 PolarHBondContact ND2-OE1 2.05Å; N2038-Q2040 PolarHBondContact O-N 2.9Å; N2038-Q2040 VanDerWaalsContact OD1-CB 3.31Å; N2038-Q2040 WeakPolarHBondContact OD1-CB 3.43Å; N2038-Q2040 WeakPolarHBondContact OD1-CG 3.47Å; N2038-Q2040 PolarHBondContact OD1-N 3.23Å | ||
| 2041 | S | 92.4 | Very high | 94 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 48% | 0.483 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.6 | 175 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | L2033 | L2033-S2041 CarbonylContact O-C 3.57Å; L2033-S2041 WeakPolarHBondContact O-CA 3.41Å; L2033-S2041 WeakPolarHBondContact O-CB 3.47Å |
| 2042 | K | 93.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 22% | 0.222 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | 179 | -60.6 | 177.1 | -168.3 | -171.3 | 0 | 109.2 | W1977 N1980 L2033 | W1977-K2042 HydrophobicContact CE3-CD 3.85Å; W1977-K2042 HydrophobicContact CE3-CG 4.24Å; W1977-K2042 HydrophobicContact CH2-CD 4.37Å; W1977-K2042 HydrophobicContact CH2-CG 4.18Å; W1977-K2042 HydrophobicContact CZ3-CB 4.21Å; W1977-K2042 HydrophobicContact CZ3-CD 3.71Å; W1977-K2042 HydrophobicContact CZ3-CG 3.6Å; W1977-K2042 PolarHBondContact O-NZ 3.1Å; N1980-K2042 WeakPolarHBondContact OD1-CE 3.37Å; N1980-K2042 PolarHBondContact OD1-NZ 2.65Å; L2033-K2042 PolarHBondContact N-O 3.36Å; L2033-K2042 PolarHBondContact O-N 3Å |
| 2043 | T | 94.2 | Very high | 93.7 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126.8 | 167.3 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | I2018 F2031 | I2018-T2043 HydrophobicContact CD1-CG2 4.19Å; F2031-T2043 CarbonylContact O-C 3.55Å; F2031-T2043 WeakPolarHBondContact O-CA 3.39Å |
| 2044 | V | 96.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.3 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 109 | W1973 L1976 T1982 I1984 F2031 L2033 | W1973-V2044 HydrophobicContact CZ3-CG1 4.33Å; L1976-V2044 HydrophobicContact CD1-CG1 4.38Å; T1982-V2044 CarbonylContact O-C 3.57Å; T1982-V2044 WeakPolarHBondContact O-CA 3.48Å; I1984-V2044 HydrophobicContact CD1-CG1 3.69Å; I1984-V2044 HydrophobicContact CG1-CG1 4Å; F2031-V2044 PolarHBondContact N-O 3.25Å; F2031-V2044 PolarHBondContact O-N 3.46Å; L2033-V2044 HydrophobicContact CB-CG2 3.81Å; L2033-V2044 HydrophobicContact CD2-CG2 3.93Å |
| 2045 | R | 96.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.2 | -179.5 | -67.4 | -176.6 | 167.4 | 80.7 | 22.9 | 110.1 | T1982 I1983 I1984 L2028 E2030 F2047 | T1982-R2045 PolarHBondContact O-N 2.86Å; I1983-R2045 CarbonylContact C-O 3.58Å; I1983-R2045 WeakPolarHBondContact CA-O 3.24Å; I1984-R2045 PolarHBondContact N-O 3.29Å; L2028-R2045 HydrophobicContact CD1-CB 4.16Å; E2030-R2045 HydrophobicContact CG-CG 4.28Å; E2030-R2045 IonicContact OE1-CZ 2.72Å; E2030-R2045 IonicContact OE1-NE 2.7Å; E2030-R2045 PolarHBondContact OE1-NE 2.81Å; E2030-R2045 IonicContact OE1-NH2 2.7Å; E2030-R2045 PolarHBondContact OE1-NH2 3.03Å; E2030-R2045 IonicContact OE2-NH2 3.31Å; E2030-R2045 PolarHBondContact OE2-NH2 2.85Å; R2045-F2047 HydrophobicContact CB-CE2 4.01Å |
| 2046 | H | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 104 | -172.1 | 174 | -71.7 | 0 | 0 | 0 | 110.6 | I1984 Y2001 W2002 L2028 R2029 F2031 | I1984-H2046 HydrophobicContact CB-CB 4.41Å; I1984-H2046 HydrophobicContact CD1-CB 4.36Å; Y2001-H2046 AromaticContact CE2-CD2 3.99Å; Y2001-H2046 AromaticContact CE2-NE2 3.97Å; Y2001-H2046 AromaticContact CZ-CD2 3.96Å; Y2001-H2046 AromaticContact CZ-NE2 3.56Å; Y2001-H2046 PolarHBondContact OH-CD2 3.09Å; Y2001-H2046 PolarHBondContact OH-NE2 2.83Å; W2002-H2046 AromaticContact CE3-NE2 3.99Å; L2028-H2046 CarbonylContact C-O 3.58Å; L2028-H2046 WeakPolarHBondContact CA-O 3.22Å; R2029-H2046 HydrophobicContact CB-CB 4.19Å; R2029-H2046 PolarHBondContact N-O 3.03Å; R2029-H2046 PolarHBondContact O-N 3.01Å; F2031-H2046 HydrophobicContact CD2-CB 4.26Å; F2031-H2046 HydrophobicContact CE2-CB 3.8Å |
| 2047 | F | 98 | Very high | 92.9 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.2 | 177.9 | -67.8 | -97.6 | 0 | 0 | 0 | 109.9 | I1983 I1984 V1985 M1986 Y2026 V2027 L2028 R2045 F2067 V2071 T2074 | I1983-F2047 HydrophobicContact CG2-CD2 4.15Å; I1983-F2047 HydrophobicContact CG2-CE2 4.23Å; I1984-F2047 PolarHBondContact O-N 2.88Å; V1985-F2047 CarbonylContact C-O 3.56Å; V1985-F2047 WeakPolarHBondContact CA-O 3.27Å; M1986-F2047 PolarHBondContact N-O 3.09Å; Y2026-F2047 AromaticContact CD2-CD1 3.93Å; Y2026-F2047 HydrophobicContact CD2-CD1 3.93Å; Y2026-F2047 AromaticContact CE2-CD1 3.74Å; Y2026-F2047 HydrophobicContact CE2-CD1 3.74Å; Y2026-F2047 AromaticContact CE2-CE1 3.94Å; Y2026-F2047 HydrophobicContact CE2-CE1 3.94Å; V2027-F2047 CarbonylContact O-C 3.6Å; L2028-F2047 HydrophobicContact CD1-CD1 4.16Å; L2028-F2047 HydrophobicContact CD1-CD2 3.99Å; L2028-F2047 HydrophobicContact CD1-CE1 3.94Å; L2028-F2047 HydrophobicContact CD1-CE2 3.75Å; L2028-F2047 HydrophobicContact CD1-CG 4.18Å; L2028-F2047 HydrophobicContact CD1-CZ 3.7Å; L2028-F2047 HydrophobicContact CD2-CE1 4.13Å; L2028-F2047 HydrophobicContact CD2-CZ 4.15Å; L2028-F2047 HydrophobicContact CG-CE1 4.44Å; R2045-F2047 HydrophobicContact CB-CE2 4.01Å; F2047-F2067 HydrophobicContact CB-CE2 3.8Å; F2047-F2067 HydrophobicContact CB-CZ 3.78Å; F2047-F2067 HydrophobicContact CD1-CE2 4.21Å; F2047-F2067 HydrophobicContact CG-CE2 4.46Å; F2047-V2071 HydrophobicContact CB-CG2 4.24Å; F2047-V2071 HydrophobicContact CD1-CG2 3.94Å; F2047-V2071 HydrophobicContact CD2-CG2 4.16Å; F2047-V2071 HydrophobicContact CE1-CG2 4.33Å; F2047-V2071 HydrophobicContact CG-CG2 3.85Å; F2047-T2074 HydrophobicContact CE2-CG2 4.03Å; F2047-T2074 HydrophobicContact CZ-CG2 3.86Å; F2047-T2074 WeakPolarHBondContact CZ-OG1 3.44Å |
| 2048 | Q | 97.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.7 | 175 | -177.8 | 174.3 | 14.2 | 0 | 0 | 110.4 | M1986 T1988 Y2026 V2027 | M1986-Q2048 HydrophobicContact CB-CB 4.23Å; M1986-Q2048 HydrophobicContact CB-CG 4.21Å; M1986-Q2048 HydrophobicContact CG-CG 3.99Å; M1986-Q2048 CarbonylContact O-C 3.57Å; M1986-Q2048 WeakPolarHBondContact O-CA 3.49Å; M1986-Q2048 HydrophobicContact SD-CG 4.06Å; T1988-Q2048 PolarHBondContact O-NE2 3.01Å; T1988-Q2048 VanDerWaalsContact O-NE2 3.11Å; Y2026-Q2048 CarbonylContact C-O 3.56Å; Y2026-Q2048 WeakPolarHBondContact CA-O 3.44Å; Y2026-Q2048 VanDerWaalsContact CB-O 3.26Å; Y2026-Q2048 WeakPolarHBondContact CB-O 3.49Å; V2027-Q2048 HydrophobicContact CB-CB 4.49Å; V2027-Q2048 PolarHBondContact N-O 2.71Å; V2027-Q2048 PolarHBondContact O-N 3.34Å |
| 2049 | Y | 96.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.3 | 176.2 | -170.9 | -100.6 | 0 | 0 | 0 | 110.2 | M1986 Q2025 E2051 W2052 L2064 F2067 | M1986-Y2049 PolarHBondContact O-N 2.89Å; Q2025-Y2049 HydrophobicContact CB-CE2 4.43Å; Q2025-Y2049 HydrophobicContact CG-CE2 4.06Å; Q2025-Y2049 WeakPolarHBondContact O-CD2 3.3Å; Y2049-E2051 VanDerWaalsContact CE1-C 3.43Å; Y2049-E2051 HydrophobicContact CE1-CB 4.08Å; Y2049-W2052 HydrophobicContact CD1-CB 4.1Å; Y2049-W2052 HydrophobicContact CE1-CB 4.15Å; Y2049-L2064 HydrophobicContact CD1-CD1 4.42Å; Y2049-L2064 HydrophobicContact CD2-CD1 4.27Å; Y2049-L2064 HydrophobicContact CE1-CD1 4.22Å; Y2049-L2064 HydrophobicContact CE2-CB 4.47Å; Y2049-L2064 HydrophobicContact CE2-CD1 4.07Å; Y2049-L2064 HydrophobicContact CG-CD1 4.44Å; Y2049-F2067 HydrophobicContact CD2-CB 3.98Å; Y2049-F2067 AromaticContact CD2-CD1 3.83Å; Y2049-F2067 HydrophobicContact CD2-CD1 3.83Å; Y2049-F2067 AromaticContact CD2-CD2 3.89Å; Y2049-F2067 HydrophobicContact CD2-CD2 3.89Å; Y2049-F2067 HydrophobicContact CD2-CE1 4.24Å; Y2049-F2067 HydrophobicContact CD2-CE2 4.28Å; Y2049-F2067 AromaticContact CD2-CG 3.63Å; Y2049-F2067 HydrophobicContact CD2-CG 3.63Å; Y2049-F2067 HydrophobicContact CD2-CZ 4.45Å; Y2049-F2067 HydrophobicContact CE2-CB 4.08Å; Y2049-F2067 HydrophobicContact CE2-CG 4.24Å; Y2049-F2067 HydrophobicContact CG-CD1 4.4Å; Y2049-F2067 HydrophobicContact CG-CE1 4.43Å |
| 2050 | T | 93.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | trans | -97.3 | -29.5 | -173.5 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | Q2025 V2027 W2052 | Q2025-T2050 VanDerWaalsContact C-OG1 3.24Å; Q2025-T2050 PolarHBondContact O-N 2.75Å; Q2025-T2050 VanDerWaalsContact O-N 3.11Å; Q2025-T2050 PolarHBondContact O-OG1 2.75Å; V2027-T2050 HydrophobicContact CG2-CG2 4.19Å; T2050-W2052 VanDerWaalsContact C-N 3.29Å; T2050-W2052 PolarHBondContact O-N 3.33Å | ||
| 2051 | E | 92.7 | Very high | 92.3 | Very high | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | trans | -89.1 | 24.1 | -167.5 | -52.3 | -47.1 | 110.3 | 0 | 0 | 114.6 | Q2025 Y2049 L2063 | Q2025-E2051 HydrophobicContact CB-CG 3.67Å; Y2049-E2051 VanDerWaalsContact CE1-C 3.43Å; Y2049-E2051 HydrophobicContact CE1-CB 4.08Å; E2051-L2063 HydrophobicContact CB-CD1 4.48Å; E2051-L2063 HydrophobicContact CG-CD1 4.47Å | ||
| 2052 | W | 93.8 | Very high | 92 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -86.5 | 120.9 | 167.5 | -156 | -54.7 | 0 | 0 | 0 | 109 | Y2049 T2050 G2056 V2057 P2058 L2064 R2094 V2097 | Y2049-W2052 HydrophobicContact CD1-CB 4.1Å; Y2049-W2052 HydrophobicContact CE1-CB 4.15Å; T2050-W2052 VanDerWaalsContact C-N 3.29Å; T2050-W2052 PolarHBondContact O-N 3.33Å; W2052-G2056 PolarHBondContact NE1-O 2.89Å; W2052-V2057 HydrophobicContact CZ2-CG1 4.31Å; W2052-P2058 HydrophobicContact CD2-CG 4.25Å; W2052-P2058 HydrophobicContact CE3-CG 4.48Å; W2052-L2064 HydrophobicContact CZ3-CD2 4.14Å; W2052-R2094 HydrophobicContact CD2-CB 4.37Å; W2052-R2094 VanDerWaalsContact CD2-CD 3.42Å; W2052-R2094 HydrophobicContact CD2-CG 3.73Å; W2052-R2094 HydrophobicContact CE3-CB 4.06Å; W2052-R2094 HydrophobicContact CE3-CG 3.95Å; W2052-R2094 HydrophobicContact CG-CG 4.38Å; W2052-R2094 HydrophobicContact CH2-CB 3.95Å; W2052-R2094 HydrophobicContact CH2-CG 3.92Å; W2052-R2094 HydrophobicContact CZ2-CB 4.26Å; W2052-R2094 HydrophobicContact CZ2-CG 3.7Å; W2052-R2094 HydrophobicContact CZ3-CB 3.84Å; W2052-R2094 HydrophobicContact CZ3-CG 4.04Å; W2052-V2097 HydrophobicContact CH2-CB 3.88Å; W2052-V2097 HydrophobicContact CH2-CG1 3.9Å; W2052-V2097 HydrophobicContact CH2-CG2 4.1Å |
| 2053 | P | 92.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | trans | -63.8 | 150.4 | -179.8 | 27.5 | -36.2 | 0 | 0 | 0 | 112.3 | Q2055 V2057 R2094 | P2053-Q2055 WeakPolarHBondContact CB-O 3.37Å; P2053-Q2055 WeakPolarHBondContact CG-O 3.37Å; P2053-Q2055 PolarHBondContact O-N 3.26Å; P2053-Q2055 VanDerWaalsContact O-N 3.14Å; P2053-V2057 WeakPolarHBondContact CG-O 3.37Å; P2053-R2094 PolarHBondContact O-NH2 2.8Å; P2053-R2094 VanDerWaalsContact O-NH2 3.11Å | ||
| 2054 | E | 89.8 | Confident | 91.9 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -71 | -10.5 | -177 | -58 | -170.4 | -161.8 | 0 | 0 | 112.7 | K1989 E1992 L1993 | K1989-E2054 IonicContact NZ-OE1 3.84Å; K1989-E2054 PolarHBondContact NZ-OE1 2.89Å; E1992-E2054 VanDerWaalsContact CA-OE2 3.23Å; E1992-E2054 WeakPolarHBondContact CA-OE2 3.41Å; E1992-E2054 HydrophobicContact CB-CB 4.15Å; E1992-E2054 HydrophobicContact CB-CG 3.87Å; E1992-E2054 HydrophobicContact CG-CG 4.02Å; L1993-E2054 HydrophobicContact CD2-CB 3.97Å; L1993-E2054 HydrophobicContact CG-CB 4.14Å; L1993-E2054 PolarHBondContact N-OE2 2.84Å |
| 2055 | Q | 87 | Confident | 91.7 | Very high | 150 Ų | 150 | 46.9 Ų | 46.9 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -136.4 | 138.8 | 170 | -65.2 | 175.5 | -23.4 | 0 | 0 | 108.7 | L1993 P2053 | L1993-Q2055 HydrophobicContact CD1-CG 3.92Å; L1993-Q2055 HydrophobicContact CD2-CG 4.38Å; P2053-Q2055 WeakPolarHBondContact CB-O 3.37Å; P2053-Q2055 WeakPolarHBondContact CG-O 3.37Å; P2053-Q2055 PolarHBondContact O-N 3.26Å; P2053-Q2055 VanDerWaalsContact O-N 3.14Å |
| 2056 | G | 89.4 | Confident | 91.4 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 46% | 0.464 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 74.4 | -149.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | W2052 | W2052-G2056 PolarHBondContact NE1-O 2.89Š|
| 2057 | V | 93.3 | Very high | 91.2 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | trans | -124.8 | 159.3 | -173.8 | -66 | 0 | 0 | 0 | 0 | 111.5 | W2052 P2053 D2135 Q2136 F2139 | W2052-V2057 HydrophobicContact CZ2-CG1 4.31Å; P2053-V2057 WeakPolarHBondContact CG-O 3.37Å; V2057-D2135 HydrophobicContact CG1-CB 3.97Å; V2057-D2135 HydrophobicContact CG2-CB 4.45Å; V2057-Q2136 HydrophobicContact CG1-CG 3.95Å; V2057-F2139 HydrophobicContact CB-CB 4.2Å; V2057-F2139 HydrophobicContact CB-CD2 4.04Å; V2057-F2139 HydrophobicContact CB-CG 4.14Å; V2057-F2139 HydrophobicContact CG1-CB 4.18Å; V2057-F2139 HydrophobicContact CG1-CG 4.46Å; V2057-F2139 HydrophobicContact CG2-CB 4.2Å; V2057-F2139 HydrophobicContact CG2-CD2 4.13Å; V2057-F2139 HydrophobicContact CG2-CG 4.42Å | ||
| 2058 | P | 90.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | trans | -56.4 | 146.6 | 174.6 | -24.9 | 35.6 | 0 | 0 | 0 | 113 | W2052 S2060 F2139 | W2052-P2058 HydrophobicContact CD2-CG 4.25Å; W2052-P2058 HydrophobicContact CE3-CG 4.48Å; P2058-S2060 WeakPolarHBondContact CB-O 3.42Å; P2058-F2139 HydrophobicContact CB-CE2 3.9Å; P2058-F2139 HydrophobicContact CB-CZ 4.08Å; P2058-F2139 HydrophobicContact CG-CE2 4.23Å; P2058-F2139 HydrophobicContact CG-CZ 4.05Å; P2058-F2139 WeakPolarHBondContact O-CE2 3.21Å | ||
| 2059 | K | 81.4 | Confident | 90.8 | Very high | 199 Ų | 199 | 49.8 Ų | 49.8 | 87% | 0.865 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -73.6 | -33 | -175.2 | -75 | -169.8 | 175.8 | -175.6 | 0 | 114 | K2142 | K2059-K2142 PolarHBondContact O-NZ 3.29Š|
| 2060 | S | 82.6 | Confident | 90.7 | Very high | 41 Ų | 41 | 51.8 Ų | 51.8 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -128.1 | 165.2 | 160.7 | 74.4 | 0 | 0 | 0 | 0 | 109 | P2058 D2062 | P2058-S2060 WeakPolarHBondContact CB-O 3.42Å; S2060-D2062 WeakPolarHBondContact CB-OD2 3.37Å; S2060-D2062 PolarHBondContact OG-OD2 3.48Å |
| 2061 | S | 89.4 | Confident | 90.8 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -89.2 | -15 | 179.9 | 65.1 | 0 | 0 | 0 | 0 | 114.1 | L2063 L2064 V2065 A2143 E2146 | S2061-L2063 VanDerWaalsContact C-N 3.31Å; S2061-L2063 PolarHBondContact O-N 3.32Å; S2061-L2063 VanDerWaalsContact O-N 3.13Å; S2061-L2064 CarbonylContact O-C 3.54Å; S2061-L2064 WeakPolarHBondContact O-CA 3.44Å; S2061-L2064 WeakPolarHBondContact O-CB 3.47Å; S2061-L2064 PolarHBondContact O-N 2.82Å; S2061-V2065 WeakPolarHBondContact O-CG2 3.39Å; S2061-V2065 PolarHBondContact O-N 3Å; S2061-A2143 VanDerWaalsContact CB-CB 3.43Å; S2061-A2143 WeakPolarHBondContact OG-CA 3.36Å; S2061-E2146 VanDerWaalsContact CB-OE2 3.23Å; S2061-E2146 WeakPolarHBondContact CB-OE2 3.45Å; S2061-E2146 PolarHBondContact N-OE2 2.93Å; S2061-E2146 WeakPolarHBondContact OG-CB 3.36Å; S2061-E2146 PolarHBondContact OG-OE2 2.89Å |
| 2062 | D | 87.2 | Confident | 90.8 | Very high | 94 Ų | 94 | 46.5 Ų | 46.5 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -47.4 | -49.8 | -170.2 | -49.1 | -66.4 | 0 | 0 | 0 | 113.2 | S2060 L2064 V2065 D2066 | S2060-D2062 WeakPolarHBondContact CB-OD2 3.37Å; S2060-D2062 PolarHBondContact OG-OD2 3.48Å; D2062-L2064 VanDerWaalsContact C-N 3.31Å; D2062-L2064 PolarHBondContact O-N 2.74Å; D2062-V2065 PolarHBondContact O-N 2.82Å; D2062-D2066 PolarHBondContact O-N 3.2Å |
| 2063 | L | 90.5 | Very high | 90.7 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 42% | 0.419 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.7 | -32.9 | -179.4 | -65.8 | -178.4 | 0 | 0 | 0 | 113.1 | Q2025 E2051 S2061 F2067 | Q2025-L2063 HydrophobicContact CB-CB 4.33Å; Q2025-L2063 HydrophobicContact CB-CD1 4.33Å; Q2025-L2063 HydrophobicContact CB-CD2 4.24Å; Q2025-L2063 HydrophobicContact CG-CB 4.12Å; Q2025-L2063 HydrophobicContact CG-CD2 4.24Å; E2051-L2063 HydrophobicContact CB-CD1 4.48Å; E2051-L2063 HydrophobicContact CG-CD1 4.47Å; S2061-L2063 VanDerWaalsContact C-N 3.31Å; S2061-L2063 PolarHBondContact O-N 3.32Å; S2061-L2063 VanDerWaalsContact O-N 3.13Å; L2063-F2067 VanDerWaalsContact O-CB 3.22Å; L2063-F2067 WeakPolarHBondContact O-CB 3.45Å; L2063-F2067 PolarHBondContact O-N 2.79Å |
| 2064 | L | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.2 | -34.4 | 177.5 | -171.7 | 70.4 | 0 | 0 | 0 | 111.6 | Y2049 W2052 S2061 D2062 F2067 I2068 V2097 L2101 F2139 | Y2049-L2064 HydrophobicContact CD1-CD1 4.42Å; Y2049-L2064 HydrophobicContact CD2-CD1 4.27Å; Y2049-L2064 HydrophobicContact CE1-CD1 4.22Å; Y2049-L2064 HydrophobicContact CE2-CB 4.47Å; Y2049-L2064 HydrophobicContact CE2-CD1 4.07Å; Y2049-L2064 HydrophobicContact CG-CD1 4.44Å; W2052-L2064 HydrophobicContact CZ3-CD2 4.14Å; S2061-L2064 CarbonylContact O-C 3.54Å; S2061-L2064 WeakPolarHBondContact O-CA 3.44Å; S2061-L2064 WeakPolarHBondContact O-CB 3.47Å; S2061-L2064 PolarHBondContact O-N 2.82Å; D2062-L2064 VanDerWaalsContact C-N 3.31Å; D2062-L2064 PolarHBondContact O-N 2.74Å; L2064-F2067 HydrophobicContact CD1-CD1 4.17Å; L2064-F2067 PolarHBondContact O-N 3.47Å; L2064-I2068 HydrophobicContact CG-CD1 4.24Å; L2064-I2068 WeakPolarHBondContact O-CB 3.16Å; L2064-I2068 VanDerWaalsContact O-CG1 3.26Å; L2064-I2068 WeakPolarHBondContact O-CG1 3.43Å; L2064-I2068 PolarHBondContact O-N 3.39Å; L2064-V2097 HydrophobicContact CD2-CG1 4.42Å; L2064-L2101 HydrophobicContact CD2-CD2 4.17Å; L2064-F2139 HydrophobicContact CD2-CE1 3.7Å; L2064-F2139 HydrophobicContact CD2-CZ 4.05Å |
| 2065 | V | 91.9 | Very high | 90.7 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 176 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | S2061 D2062 I2068 G2069 L2101 L2105 Y2147 | S2061-V2065 WeakPolarHBondContact O-CG2 3.39Å; S2061-V2065 PolarHBondContact O-N 3Å; D2062-V2065 PolarHBondContact O-N 2.82Å; V2065-I2068 PolarHBondContact O-N 2.94Å; V2065-G2069 PolarHBondContact O-N 3.09Å; V2065-L2101 HydrophobicContact CG2-CD2 4.15Å; V2065-L2105 HydrophobicContact CG1-CD1 4.31Å; V2065-L2105 HydrophobicContact CG1-CD2 4.48Å; V2065-Y2147 HydrophobicContact CG1-CD2 3.72Å; V2065-Y2147 HydrophobicContact CG1-CE2 4.1Å |
| 2066 | D | 90.2 | Very high | 90.7 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 169.4 | 175.3 | 58.4 | 0 | 0 | 0 | 111 | Q2025 D2062 I2068 G2069 Q2070 | Q2025-D2066 PolarHBondContact NE2-OD2 3.04Å; D2062-D2066 PolarHBondContact O-N 3.2Å; D2066-I2068 PolarHBondContact O-N 3.43Å; D2066-G2069 CarbonylContact O-C 3.37Å; D2066-G2069 VanDerWaalsContact O-CA 3.27Å; D2066-G2069 WeakPolarHBondContact O-CA 3.34Å; D2066-G2069 PolarHBondContact O-N 2.73Å; D2066-Q2070 WeakPolarHBondContact O-CG 3.39Å; D2066-Q2070 PolarHBondContact O-N 2.99Å; D2066-Q2070 PolarHBondContact OD1-NE2 3.14Å |
| 2067 | F | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -45 | 178.4 | 176.8 | -103.8 | 0 | 0 | 0 | 113 | V1985 L1987 Y2026 F2047 Y2049 L2063 L2064 G2069 Q2070 V2071 F2098 | V1985-F2067 HydrophobicContact CG1-CE1 3.75Å; V1985-F2067 HydrophobicContact CG1-CZ 3.97Å; L1987-F2067 HydrophobicContact CD2-CE1 3.97Å; Y2026-F2067 AromaticContact CD1-CD2 3.7Å; Y2026-F2067 HydrophobicContact CD1-CD2 3.7Å; Y2026-F2067 HydrophobicContact CD1-CE2 4.27Å; Y2026-F2067 HydrophobicContact CD2-CD2 4.32Å; Y2026-F2067 HydrophobicContact CD2-CE2 4.14Å; Y2026-F2067 HydrophobicContact CE1-CD2 4.33Å; Y2026-F2067 AromaticContact CG-CD2 3.68Å; Y2026-F2067 HydrophobicContact CG-CD2 3.68Å; Y2026-F2067 AromaticContact CG-CE2 3.77Å; Y2026-F2067 HydrophobicContact CG-CE2 3.77Å; F2047-F2067 HydrophobicContact CB-CE2 3.8Å; F2047-F2067 HydrophobicContact CB-CZ 3.78Å; F2047-F2067 HydrophobicContact CD1-CE2 4.21Å; F2047-F2067 HydrophobicContact CG-CE2 4.46Å; Y2049-F2067 HydrophobicContact CD2-CB 3.98Å; Y2049-F2067 AromaticContact CD2-CD1 3.83Å; Y2049-F2067 HydrophobicContact CD2-CD1 3.83Å; Y2049-F2067 AromaticContact CD2-CD2 3.89Å; Y2049-F2067 HydrophobicContact CD2-CD2 3.89Å; Y2049-F2067 HydrophobicContact CD2-CE1 4.24Å; Y2049-F2067 HydrophobicContact CD2-CE2 4.28Å; Y2049-F2067 AromaticContact CD2-CG 3.63Å; Y2049-F2067 HydrophobicContact CD2-CG 3.63Å; Y2049-F2067 HydrophobicContact CD2-CZ 4.45Å; Y2049-F2067 HydrophobicContact CE2-CB 4.08Å; Y2049-F2067 HydrophobicContact CE2-CG 4.24Å; Y2049-F2067 HydrophobicContact CG-CD1 4.4Å; Y2049-F2067 HydrophobicContact CG-CE1 4.43Å; L2063-F2067 VanDerWaalsContact O-CB 3.22Å; L2063-F2067 WeakPolarHBondContact O-CB 3.45Å; L2063-F2067 PolarHBondContact O-N 2.79Å; L2064-F2067 HydrophobicContact CD1-CD1 4.17Å; L2064-F2067 PolarHBondContact O-N 3.47Å; F2067-G2069 VanDerWaalsContact C-N 3.3Å; F2067-G2069 PolarHBondContact O-N 2.76Å; F2067-Q2070 PolarHBondContact O-N 3.35Å; F2067-V2071 HydrophobicContact CE1-CG2 4.4Å; F2067-V2071 HydrophobicContact CE2-CG2 4.47Å; F2067-V2071 HydrophobicContact CZ-CG2 4.29Å; F2067-V2071 WeakPolarHBondContact O-CG2 3.49Å; F2067-V2071 PolarHBondContact O-N 3.4Å; F2067-F2098 HydrophobicContact CD1-CD2 4.28Å; F2067-F2098 AromaticContact CD1-CE2 3.85Å; F2067-F2098 HydrophobicContact CD1-CE2 3.85Å; F2067-F2098 HydrophobicContact CE1-CD2 4.15Å; F2067-F2098 AromaticContact CE1-CE2 3.7Å; F2067-F2098 HydrophobicContact CE1-CE2 3.7Å |
| 2068 | I | 94.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 171.3 | -73.2 | 164.3 | 0 | 0 | 0 | 110.1 | L2064 V2065 D2066 V2071 H2072 F2098 L2101 S2102 L2105 | L2064-I2068 HydrophobicContact CG-CD1 4.24Å; L2064-I2068 WeakPolarHBondContact O-CB 3.16Å; L2064-I2068 VanDerWaalsContact O-CG1 3.26Å; L2064-I2068 WeakPolarHBondContact O-CG1 3.43Å; L2064-I2068 PolarHBondContact O-N 3.39Å; V2065-I2068 PolarHBondContact O-N 2.94Å; D2066-I2068 PolarHBondContact O-N 3.43Å; I2068-V2071 PolarHBondContact O-N 3.3Å; I2068-H2072 PolarHBondContact O-CD2 3.45Å; I2068-H2072 VanDerWaalsContact O-CD2 3.24Å; I2068-H2072 PolarHBondContact O-N 2.82Å; I2068-F2098 HydrophobicContact CB-CE2 4.38Å; I2068-F2098 HydrophobicContact CD1-CD2 4.24Å; I2068-F2098 HydrophobicContact CG1-CD2 3.61Å; I2068-F2098 HydrophobicContact CG1-CE2 3.44Å; I2068-F2098 VanDerWaalsContact CG1-CE2 3.44Å; I2068-F2098 HydrophobicContact CG1-CG 4.43Å; I2068-F2098 HydrophobicContact CG1-CZ 4.14Å; I2068-L2101 HydrophobicContact CD1-CB 3.93Å; I2068-L2101 HydrophobicContact CD1-CD2 3.7Å; I2068-L2101 HydrophobicContact CD1-CG 3.82Å; I2068-S2102 WeakPolarHBondContact CG2-OG 3.48Å; I2068-L2105 HydrophobicContact CD1-CD1 4.4Å; I2068-L2105 HydrophobicContact CG2-CD1 4.04Å |
| 2069 | G | 91.6 | Very high | 89.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.1 | -49.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V2065 D2066 F2067 V2071 H2072 K2073 | V2065-G2069 PolarHBondContact O-N 3.09Å; D2066-G2069 CarbonylContact O-C 3.37Å; D2066-G2069 VanDerWaalsContact O-CA 3.27Å; D2066-G2069 WeakPolarHBondContact O-CA 3.34Å; D2066-G2069 PolarHBondContact O-N 2.73Å; F2067-G2069 VanDerWaalsContact C-N 3.3Å; F2067-G2069 PolarHBondContact O-N 2.76Å; G2069-V2071 PolarHBondContact O-N 3.06Å; G2069-H2072 PolarHBondContact O-N 3.13Å; G2069-K2073 WeakPolarHBondContact O-CB 3.47Å; G2069-K2073 PolarHBondContact O-N 2.78Å |
| 2070 | Q | 94 | Very high | 89.8 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66 | -36.3 | 179 | -57.3 | -51.5 | -29.3 | 0 | 0 | 112 | D2066 F2067 T2074 | D2066-Q2070 WeakPolarHBondContact O-CG 3.39Å; D2066-Q2070 PolarHBondContact O-N 2.99Å; D2066-Q2070 PolarHBondContact OD1-NE2 3.14Å; F2067-Q2070 PolarHBondContact O-N 3.35Å; Q2070-T2074 VanDerWaalsContact O-CB 3.27Å; Q2070-T2074 WeakPolarHBondContact O-CB 3.09Å; Q2070-T2074 PolarHBondContact O-N 2.78Å; Q2070-T2074 PolarHBondContact O-OG1 3.37Å |
| 2071 | V | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -49.1 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | I1983 V1985 F2047 F2067 I2068 G2069 T2074 R2075 I2084 F2098 | I1983-V2071 HydrophobicContact CG2-CG1 4.07Å; V1985-V2071 HydrophobicContact CG2-CG1 3.89Å; V1985-V2071 HydrophobicContact CG2-CG2 4.05Å; F2047-V2071 HydrophobicContact CB-CG2 4.24Å; F2047-V2071 HydrophobicContact CD1-CG2 3.94Å; F2047-V2071 HydrophobicContact CD2-CG2 4.16Å; F2047-V2071 HydrophobicContact CE1-CG2 4.33Å; F2047-V2071 HydrophobicContact CG-CG2 3.85Å; F2067-V2071 HydrophobicContact CE1-CG2 4.4Å; F2067-V2071 HydrophobicContact CE2-CG2 4.47Å; F2067-V2071 HydrophobicContact CZ-CG2 4.29Å; F2067-V2071 WeakPolarHBondContact O-CG2 3.49Å; F2067-V2071 PolarHBondContact O-N 3.4Å; I2068-V2071 PolarHBondContact O-N 3.3Å; G2069-V2071 PolarHBondContact O-N 3.06Å; V2071-T2074 WeakPolarHBondContact O-CB 3.34Å; V2071-T2074 PolarHBondContact O-N 2.78Å; V2071-R2075 PolarHBondContact O-N 3.02Å; V2071-I2084 HydrophobicContact CG1-CD1 4.06Å; V2071-I2084 HydrophobicContact CG1-CG2 4.21Å; V2071-F2098 HydrophobicContact CB-CZ 4.34Å; V2071-F2098 HydrophobicContact CG1-CZ 4.13Å; V2071-F2098 HydrophobicContact CG2-CZ 4.44Å |
| 2072 | H | 92.7 | Very high | 89.6 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 178.3 | -75.1 | -64.8 | 0 | 0 | 0 | 112.7 | Y1958 I2068 G2069 T2074 R2075 Q2076 S2102 | Y1958-H2072 PolarHBondContact OH-CE1 2.77Å; Y1958-H2072 PolarHBondContact OH-NE2 2.85Å; I2068-H2072 PolarHBondContact O-CD2 3.45Å; I2068-H2072 VanDerWaalsContact O-CD2 3.24Å; I2068-H2072 PolarHBondContact O-N 2.82Å; G2069-H2072 PolarHBondContact O-N 3.13Å; H2072-T2074 VanDerWaalsContact C-N 3.31Å; H2072-T2074 PolarHBondContact O-N 2.88Å; H2072-R2075 WeakPolarHBondContact O-CB 3.28Å; H2072-R2075 PolarHBondContact O-N 3.37Å; H2072-Q2076 WeakPolarHBondContact O-CG 3.35Å; H2072-Q2076 PolarHBondContact O-N 3.08Å; H2072-S2102 PolarHBondContact NE2-OG 2.79Å |
| 2073 | K | 91.1 | Very high | 90 | Very high | 109 Ų | 109 | 51.7 Ų | 51.7 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 171.5 | 177.6 | -177.9 | 167.4 | -165.5 | 0 | 111.3 | G2069 Q2076 Q2077 | G2069-K2073 WeakPolarHBondContact O-CB 3.47Å; G2069-K2073 PolarHBondContact O-N 2.78Å; K2073-Q2076 PolarHBondContact O-N 3.15Å; K2073-Q2077 WeakPolarHBondContact O-CB 3.32Å; K2073-Q2077 PolarHBondContact O-N 2.88Å |
| 2074 | T | 92 | Very high | 90.3 | Very high | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.5 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | I1983 F2047 Q2070 V2071 H2072 Q2076 Q2077 F2078 | I1983-T2074 HydrophobicContact CD1-CG2 4.32Å; F2047-T2074 HydrophobicContact CE2-CG2 4.03Å; F2047-T2074 HydrophobicContact CZ-CG2 3.86Å; F2047-T2074 WeakPolarHBondContact CZ-OG1 3.44Å; Q2070-T2074 VanDerWaalsContact O-CB 3.27Å; Q2070-T2074 WeakPolarHBondContact O-CB 3.09Å; Q2070-T2074 PolarHBondContact O-N 2.78Å; Q2070-T2074 PolarHBondContact O-OG1 3.37Å; V2071-T2074 WeakPolarHBondContact O-CB 3.34Å; V2071-T2074 PolarHBondContact O-N 2.78Å; H2072-T2074 VanDerWaalsContact C-N 3.31Å; H2072-T2074 PolarHBondContact O-N 2.88Å; T2074-Q2076 VanDerWaalsContact C-N 3.35Å; T2074-Q2076 PolarHBondContact O-N 2.81Å; T2074-Q2077 PolarHBondContact O-N 2.82Å; T2074-F2078 HydrophobicContact CG2-CD2 3.74Å; T2074-F2078 HydrophobicContact CG2-CE2 4.03Å; T2074-F2078 WeakPolarHBondContact O-CD2 3.38Å; T2074-F2078 PolarHBondContact O-N 2.88Å; T2074-F2078 VanDerWaalsContact O-N 3.1Å |
| 2075 | R | 90.9 | Very high | 90.6 | Very high | 41 Ų | 41 | 48 Ų | 48 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 175.7 | -170 | -166.3 | 175.6 | -136.2 | 1.7 | 111.7 | M1957 I1983 V2071 H2072 G2079 Q2080 E2081 | M1957-R2075 VanDerWaalsContact SD-CZ 3.51Å; M1957-R2075 PolarHBondContact SD-NH1 3.09Å; I1983-R2075 HydrophobicContact CD1-CB 3.71Å; I1983-R2075 HydrophobicContact CD1-CG 4.16Å; V2071-R2075 PolarHBondContact O-N 3.02Å; H2072-R2075 WeakPolarHBondContact O-CB 3.28Å; H2072-R2075 PolarHBondContact O-N 3.37Å; R2075-G2079 PolarHBondContact O-N 3.05Å; R2075-G2079 VanDerWaalsContact O-N 3.16Å; R2075-Q2080 HydrophobicContact CG-CB 4.05Å; R2075-Q2080 WeakPolarHBondContact CG-O 3.46Å; R2075-Q2080 PolarHBondContact NE-O 3.04Å; R2075-Q2080 PolarHBondContact O-N 3.05Å; R2075-E2081 PolarHBondContact NH2-O 3.03Å |
| 2076 | Q | 87 | Confident | 90.9 | Very high | 146 Ų | 146 | 46.9 Ų | 46.9 | 68% | 0.682 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.6 | -49.9 | -179.9 | -67.8 | 173.7 | 7.7 | 0 | 0 | 111.9 | H2072 K2073 T2074 F2078 G2079 | H2072-Q2076 WeakPolarHBondContact O-CG 3.35Å; H2072-Q2076 PolarHBondContact O-N 3.08Å; K2073-Q2076 PolarHBondContact O-N 3.15Å; T2074-Q2076 VanDerWaalsContact C-N 3.35Å; T2074-Q2076 PolarHBondContact O-N 2.81Å; Q2076-F2078 VanDerWaalsContact C-N 3.26Å; Q2076-F2078 PolarHBondContact O-N 3.02Å; Q2076-G2079 PolarHBondContact O-N 2.85Å; Q2076-G2079 VanDerWaalsContact O-N 3.1Å |
| 2077 | Q | 88.9 | Confident | 91.3 | Very high | 131 Ų | 131 | 43.7 Ų | 43.7 | 61% | 0.612 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59 | -34.3 | -177.5 | 178.4 | 175.2 | -24 | 0 | 0 | 113.1 | K2073 T2074 | K2073-Q2077 WeakPolarHBondContact O-CB 3.32Å; K2073-Q2077 PolarHBondContact O-N 2.88Å; T2074-Q2077 PolarHBondContact O-N 2.82Å |
| 2078 | F | 87.7 | Confident | 91.3 | Very high | 84 Ų | 84 | 44 Ų | 44 | 37% | 0.368 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 8.6 | 178.6 | -63.9 | -69.7 | 0 | 0 | 0 | 113.9 | T2074 Q2076 Q2080 | T2074-F2078 HydrophobicContact CG2-CD2 3.74Å; T2074-F2078 HydrophobicContact CG2-CE2 4.03Å; T2074-F2078 WeakPolarHBondContact O-CD2 3.38Å; T2074-F2078 PolarHBondContact O-N 2.88Å; T2074-F2078 VanDerWaalsContact O-N 3.1Å; Q2076-F2078 VanDerWaalsContact C-N 3.26Å; Q2076-F2078 PolarHBondContact O-N 3.02Å; F2078-Q2080 HydrophobicContact CB-CG 3.94Å; F2078-Q2080 PolarHBondContact O-N 3.19Å; F2078-Q2080 PolarHBondContact O-NE2 2.87Å |
| 2079 | G | 78.3 | Confident | 91.4 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 58% | 0.577 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R2075 Q2076 E2081 | R2075-G2079 PolarHBondContact O-N 3.05Å; R2075-G2079 VanDerWaalsContact O-N 3.16Å; Q2076-G2079 PolarHBondContact O-N 2.85Å; Q2076-G2079 VanDerWaalsContact O-N 3.1Å; G2079-E2081 PolarHBondContact O-N 2.85Å |
| 2080 | Q | 80.4 | Confident | 91.5 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | trans | -87.4 | 96.3 | -171.1 | -60.8 | -58.5 | -48.2 | 0 | 0 | 111.5 | T1982 I1983 R2075 F2078 | T1982-Q2080 VanDerWaalsContact CB-OE1 3.3Å; T1982-Q2080 PolarHBondContact OG1-OE1 2.75Å; I1983-Q2080 HydrophobicContact CD1-CB 4.34Å; I1983-Q2080 HydrophobicContact CD1-CG 4.49Å; R2075-Q2080 HydrophobicContact CG-CB 4.05Å; R2075-Q2080 WeakPolarHBondContact CG-O 3.46Å; R2075-Q2080 PolarHBondContact NE-O 3.04Å; R2075-Q2080 PolarHBondContact O-N 3.05Å; F2078-Q2080 HydrophobicContact CB-CG 3.94Å; F2078-Q2080 PolarHBondContact O-N 3.19Å; F2078-Q2080 PolarHBondContact O-NE2 2.87Å | ||
| 2081 | E | 80.5 | Confident | 91.6 | Very high | 157 Ų | 157 | 41.9 Ų | 41.9 | 73% | 0.734 | 22% | 0.216 | S | C | * | . | trans | -68 | -32 | -178.5 | -62.5 | -177.1 | 161.7 | 0 | 0 | 113.6 | R2075 G2079 | R2075-E2081 PolarHBondContact NH2-O 3.03Å; G2079-E2081 PolarHBondContact O-N 2.85Å | ||
| 2082 | G | 87.2 | Confident | 91.6 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -69.8 | 168.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 2083 | P | 95.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 146.3 | -174.2 | -18.8 | 30.9 | 0 | 0 | 0 | 114.1 | F1948 K1956 M1957 V1959 H1979 C1981 | F1948-P2083 HydrophobicContact CE1-CG 4.35Å; K1956-P2083 WeakPolarHBondContact O-CB 3.33Å; K1956-P2083 WeakPolarHBondContact O-CG 3.46Å; M1957-P2083 WeakPolarHBondContact O-CA 3.2Å; V1959-P2083 HydrophobicContact CG2-CB 3.85Å; V1959-P2083 HydrophobicContact CG2-CG 4.27Å; H1979-P2083 VanDerWaalsContact O-CD 3.25Å; H1979-P2083 WeakPolarHBondContact O-CD 3.26Å; C1981-P2083 WeakPolarHBondContact CB-O 3.34Å |
| 2084 | I | 97.7 | Very high | 92 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118.4 | 166 | -57.9 | 174.8 | 0 | 0 | 0 | 108.4 | M1957 Y1958 V1959 I1983 V1985 V2071 V2086 | M1957-I2084 HydrophobicContact CE-CD1 3.85Å; M1957-I2084 PolarHBondContact O-N 2.79Å; Y1958-I2084 CarbonylContact C-O 3.54Å; Y1958-I2084 WeakPolarHBondContact CA-O 3.44Å; Y1958-I2084 HydrophobicContact CD1-CB 3.87Å; Y1958-I2084 HydrophobicContact CD1-CD1 4.44Å; Y1958-I2084 HydrophobicContact CD1-CG2 4.31Å; Y1958-I2084 HydrophobicContact CE1-CB 4.35Å; Y1958-I2084 HydrophobicContact CE1-CD1 4.06Å; V1959-I2084 PolarHBondContact N-O 2.88Å; I1983-I2084 HydrophobicContact CG2-CG2 4.09Å; V1985-I2084 HydrophobicContact CG2-CG2 3.73Å; V2071-I2084 HydrophobicContact CG1-CD1 4.06Å; V2071-I2084 HydrophobicContact CG1-CG2 4.21Å; I2084-V2086 HydrophobicContact CG2-CG2 3.85Å; I2084-V2086 PolarHBondContact O-N 2.78Å |
| 2085 | V | 98.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.6 | 179.1 | 169.9 | 0 | 0 | 0 | 0 | 109.4 | V1959 T1961 F1972 M1975 L1976 C1981 I1983 I1984 V1985 | V1959-V2085 HydrophobicContact CB-CG2 3.83Å; V1959-V2085 HydrophobicContact CG1-CG2 4.15Å; V1959-V2085 HydrophobicContact CG2-CG2 4.49Å; V1959-V2085 WeakPolarHBondContact O-CA 3.16Å; T1961-V2085 HydrophobicContact CG2-CG1 3.73Å; F1972-V2085 HydrophobicContact CE2-CG1 3.86Å; F1972-V2085 HydrophobicContact CZ-CG1 4.12Å; M1975-V2085 HydrophobicContact CE-CG1 3.84Å; M1975-V2085 HydrophobicContact CE-CG2 4Å; L1976-V2085 HydrophobicContact CD2-CB 4.11Å; L1976-V2085 HydrophobicContact CD2-CG1 4.24Å; L1976-V2085 HydrophobicContact CD2-CG2 3.66Å; C1981-V2085 HydrophobicContact CB-CG2 3.46Å; C1981-V2085 VanDerWaalsContact CB-CG2 3.46Å; I1983-V2085 PolarHBondContact O-N 3.12Å; I1984-V2085 CarbonylContact C-O 3.54Å; I1984-V2085 WeakPolarHBondContact CA-O 3.5Å; V1985-V2085 PolarHBondContact N-O 3.37Å |
| 2086 | V | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122.8 | -174.3 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | Y1958 V1959 T1961 V1985 L1987 I2084 T2095 F2098 I2099 | Y1958-V2086 HydrophobicContact CD1-CG2 3.94Å; V1959-V2086 PolarHBondContact O-N 2.97Å; T1961-V2086 PolarHBondContact N-O 3.15Å; T1961-V2086 VanDerWaalsContact N-O 3.14Å; V1985-V2086 HydrophobicContact CB-CB 4.48Å; V1985-V2086 HydrophobicContact CB-CG1 4.3Å; V1985-V2086 HydrophobicContact CB-CG2 4.24Å; V1985-V2086 HydrophobicContact CG1-CG1 4.2Å; V1985-V2086 WeakPolarHBondContact O-CA 3.25Å; L1987-V2086 HydrophobicContact CD1-CG1 3.74Å; L1987-V2086 HydrophobicContact CG-CG1 4.49Å; I2084-V2086 HydrophobicContact CG2-CG2 3.85Å; I2084-V2086 PolarHBondContact O-N 2.78Å; V2086-T2095 HydrophobicContact CB-CG2 4.11Å; V2086-T2095 HydrophobicContact CG1-CG2 3.92Å; V2086-T2095 WeakPolarHBondContact O-CG2 3.27Å; V2086-F2098 HydrophobicContact CB-CD1 4.41Å; V2086-F2098 HydrophobicContact CG1-CB 4.21Å; V2086-F2098 HydrophobicContact CG1-CD1 3.71Å; V2086-F2098 HydrophobicContact CG1-CE1 4.39Å; V2086-F2098 HydrophobicContact CG1-CG 4.09Å; V2086-F2098 HydrophobicContact CG2-CD1 3.76Å; V2086-F2098 HydrophobicContact CG2-CE1 3.76Å; V2086-I2099 HydrophobicContact CB-CD1 4.25Å; V2086-I2099 HydrophobicContact CB-CG1 4.48Å; V2086-I2099 HydrophobicContact CG2-CD1 4.27Å; V2086-I2099 HydrophobicContact CG2-CG1 4.2Å |
| 2087 | H | 98.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.7 | 177.6 | 76.1 | 94.6 | 0 | 0 | 0 | 113.7 | T1961 V1985 M1986 L1987 Y2001 T2095 | T1961-H2087 HydrophobicContact CG2-CB 3.79Å; T1961-H2087 WeakPolarHBondContact O-CA 3.3Å; T1961-H2087 WeakPolarHBondContact O-CB 3.47Å; V1985-H2087 PolarHBondContact O-N 3.15Å; M1986-H2087 WeakPolarHBondContact CG-CE1 3.31Å; L1987-H2087 WeakPolarHBondContact CB-O 3.35Å; L1987-H2087 PolarHBondContact N-O 3.24Å; Y2001-H2087 AromaticContact CE1-CE1 3.8Å; Y2001-H2087 AromaticContact CE1-NE2 3.74Å; Y2001-H2087 AromaticContact CZ-NE2 3.65Å; Y2001-H2087 PolarHBondContact OH-NE2 2.82Å; H2087-T2095 WeakPolarHBondContact CA-OG1 3.48Å |
| 2088 | C | 96.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | -161.3 | 158.4 | 70.6 | 0 | 0 | 0 | 0 | 105.9 | G1963 L1987 T2090 G2091 R2094 T2095 | G1963-C2088 WeakPolarHBondContact CA-O 3.27Å; G1963-C2088 PolarHBondContact N-O 2.91Å; L1987-C2088 HydrophobicContact CB-CB 4.15Å; C2088-T2090 PolarHBondContact O-N 2.83Å; C2088-G2091 PolarHBondContact SG-N 2.91Å; C2088-G2091 VanDerWaalsContact SG-N 3.39Å; C2088-R2094 HydrophobicContact CB-CB 3.88Å; C2088-R2094 HydrophobicContact CB-CG 4.42Å; C2088-T2095 PolarHBondContact N-OG1 2.69Å |
| 2089 | S | 96.2 | Very high | 94.1 | Very high | 20 Ų | 20 | 17.2 Ų | 17.2 | 14% | 0.14 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -54.8 | -53.5 | 178.1 | -165.6 | 0 | 0 | 0 | 0 | 113.4 | R1918 G1963 K1997 | R1918-S2089 VanDerWaalsContact CD-O 3.3Å; R1918-S2089 WeakPolarHBondContact CD-O 3.44Å; R1918-S2089 WeakPolarHBondContact CD-OG 3.24Å; G1963-S2089 PolarHBondContact N-O 2.89Å; K1997-S2089 WeakPolarHBondContact CA-OG 3.45Å; K1997-S2089 VanDerWaalsContact O-CA 3.27Å; K1997-S2089 WeakPolarHBondContact O-CA 3.46Å; K1997-S2089 VanDerWaalsContact O-CB 3.31Å; K1997-S2089 WeakPolarHBondContact O-CB 3.35Å; K1997-S2089 PolarHBondContact O-OG 3.08Å |
| 2090 | T | 94 | Very high | 95 | Very high | 22 Ų | 22 | 14.6 Ų | 14.6 | 14% | 0.135 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -97.8 | -13.9 | -174.8 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | L1919 V1922 C2088 R2127 | L1919-T2090 HydrophobicContact CD1-CG2 3.47Å; L1919-T2090 VanDerWaalsContact CD1-CG2 3.47Å; L1919-T2090 HydrophobicContact CG-CG2 4.1Å; V1922-T2090 WeakPolarHBondContact CG1-O 3.42Å; C2088-T2090 PolarHBondContact O-N 2.83Å; T2090-R2127 PolarHBondContact O-NH2 2.95Å |
| 2091 | G | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 73.4 | 25.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1961 C2088 R2127 | T1961-G2091 WeakPolarHBondContact O-CA 3.22Å; C2088-G2091 PolarHBondContact SG-N 2.91Å; C2088-G2091 VanDerWaalsContact SG-N 3.39Å; G2091-R2127 PolarHBondContact O-NE 3.04Å |
| 2092 | V | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -136.2 | -43.5 | -179.6 | -62.3 | 0 | 0 | 0 | 0 | 115.3 | V1922 G2096 R2127 P2128 N2129 M2130 V2131 | V1922-V2092 HydrophobicContact CG1-CB 4.26Å; V1922-V2092 HydrophobicContact CG1-CG1 3.44Å; V1922-V2092 VanDerWaalsContact CG1-CG1 3.44Å; V1922-V2092 HydrophobicContact CG1-CG2 3.75Å; V2092-G2096 VanDerWaalsContact O-CA 3.29Å; V2092-G2096 WeakPolarHBondContact O-CA 3.37Å; V2092-G2096 PolarHBondContact O-N 2.78Å; V2092-R2127 HydrophobicContact CG1-CG 4.04Å; V2092-P2128 VanDerWaalsContact CG1-O 3.25Å; V2092-P2128 WeakPolarHBondContact CG1-O 3.32Å; V2092-N2129 WeakPolarHBondContact CB-O 3.39Å; V2092-N2129 HydrophobicContact CG2-CB 4.22Å; V2092-M2130 HydrophobicContact CB-SD 4.32Å; V2092-M2130 HydrophobicContact CG1-SD 4.33Å; V2092-M2130 WeakPolarHBondContact O-CA 3.44Å; V2092-V2131 PolarHBondContact O-N 2.84Å |
| 2093 | G | 95.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 5.3 Ų | 5.3 | 3% | 0.031 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -68.2 | -87.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T2095 G2096 V2097 Q2136 | G2093-T2095 PolarHBondContact O-N 2.87Å; G2093-G2096 WeakPolarHBondContact O-CA 3.37Å; G2093-G2096 PolarHBondContact O-N 2.75Å; G2093-V2097 PolarHBondContact O-N 2.93Å; G2093-Q2136 VanDerWaalsContact C-OE1 3.23Å; G2093-Q2136 PolarHBondContact O-OE1 3.32Å |
| 2094 | R | 97.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 4.8 Ų | 4.8 | 11% | 0.109 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.3 | -38.1 | 176.3 | -54.5 | -176.6 | 176.5 | 148.5 | 1.7 | 112.9 | L1987 T1988 E1992 W2052 P2053 C2088 G2096 V2097 F2098 | L1987-R2094 HydrophobicContact CB-CB 3.98Å; L1987-R2094 HydrophobicContact CD1-CB 4.12Å; L1987-R2094 WeakPolarHBondContact CD1-O 3.4Å; L1987-R2094 WeakPolarHBondContact O-CD 3.33Å; L1987-R2094 PolarHBondContact O-NH1 3.24Å; T1988-R2094 PolarHBondContact OG1-NH1 2.92Å; E1992-R2094 IonicContact OE1-CZ 2.59Å; E1992-R2094 IonicContact OE1-NH1 3.13Å; E1992-R2094 PolarHBondContact OE1-NH1 2.93Å; E1992-R2094 IonicContact OE1-NH2 2.68Å; E1992-R2094 IonicContact OE2-CZ 2.82Å; E1992-R2094 IonicContact OE2-NH1 3.48Å; E1992-R2094 PolarHBondContact OE2-NH1 2.83Å; E1992-R2094 VanDerWaalsContact OE2-NH1 3.13Å; E1992-R2094 IonicContact OE2-NH2 3.02Å; E1992-R2094 PolarHBondContact OE2-NH2 3.03Å; W2052-R2094 HydrophobicContact CD2-CB 4.37Å; W2052-R2094 VanDerWaalsContact CD2-CD 3.42Å; W2052-R2094 HydrophobicContact CD2-CG 3.73Å; W2052-R2094 HydrophobicContact CE3-CB 4.06Å; W2052-R2094 HydrophobicContact CE3-CG 3.95Å; W2052-R2094 HydrophobicContact CG-CG 4.38Å; W2052-R2094 HydrophobicContact CH2-CB 3.95Å; W2052-R2094 HydrophobicContact CH2-CG 3.92Å; W2052-R2094 HydrophobicContact CZ2-CB 4.26Å; W2052-R2094 HydrophobicContact CZ2-CG 3.7Å; W2052-R2094 HydrophobicContact CZ3-CB 3.84Å; W2052-R2094 HydrophobicContact CZ3-CG 4.04Å; P2053-R2094 PolarHBondContact O-NH2 2.8Å; P2053-R2094 VanDerWaalsContact O-NH2 3.11Å; C2088-R2094 HydrophobicContact CB-CB 3.88Å; C2088-R2094 HydrophobicContact CB-CG 4.42Å; R2094-G2096 PolarHBondContact O-N 2.85Å; R2094-V2097 PolarHBondContact O-N 2.76Å; R2094-F2098 PolarHBondContact O-N 2.81Å |
| 2095 | T | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 172.6 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | A1960 V2086 H2087 C2088 G2093 I2099 | A1960-T2095 HydrophobicContact CB-CG2 3.62Å; V2086-T2095 HydrophobicContact CB-CG2 4.11Å; V2086-T2095 HydrophobicContact CG1-CG2 3.92Å; V2086-T2095 WeakPolarHBondContact O-CG2 3.27Å; H2087-T2095 WeakPolarHBondContact CA-OG1 3.48Å; C2088-T2095 PolarHBondContact N-OG1 2.69Å; G2093-T2095 PolarHBondContact O-N 2.87Å; T2095-I2099 HydrophobicContact CG2-CD1 4.08Å; T2095-I2099 WeakPolarHBondContact O-CG1 3.29Å; T2095-I2099 PolarHBondContact O-N 2.76Å |
| 2096 | G | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2092 G2093 R2094 I2099 A2100 | V2092-G2096 VanDerWaalsContact O-CA 3.29Å; V2092-G2096 WeakPolarHBondContact O-CA 3.37Å; V2092-G2096 PolarHBondContact O-N 2.78Å; G2093-G2096 WeakPolarHBondContact O-CA 3.37Å; G2093-G2096 PolarHBondContact O-N 2.75Å; R2094-G2096 PolarHBondContact O-N 2.85Å; G2096-I2099 PolarHBondContact O-N 3.47Å; G2096-A2100 WeakPolarHBondContact O-CB 3.27Å; G2096-A2100 PolarHBondContact O-N 3.44Å |
| 2097 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 177.1 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | W2052 L2064 G2093 R2094 I2099 A2100 L2101 V2131 Q2136 F2139 L2140 | W2052-V2097 HydrophobicContact CH2-CB 3.88Å; W2052-V2097 HydrophobicContact CH2-CG1 3.9Å; W2052-V2097 HydrophobicContact CH2-CG2 4.1Å; L2064-V2097 HydrophobicContact CD2-CG1 4.42Å; G2093-V2097 PolarHBondContact O-N 2.93Å; R2094-V2097 PolarHBondContact O-N 2.76Å; V2097-I2099 VanDerWaalsContact C-N 3.34Å; V2097-I2099 PolarHBondContact O-N 3.17Å; V2097-A2100 PolarHBondContact O-N 3Å; V2097-L2101 WeakPolarHBondContact O-CB 3.03Å; V2097-L2101 PolarHBondContact O-N 2.78Å; V2097-V2131 HydrophobicContact CG2-CG1 4.5Å; V2097-V2131 HydrophobicContact CG2-CG2 4.43Å; V2097-Q2136 HydrophobicContact CG2-CB 3.65Å; V2097-Q2136 HydrophobicContact CG2-CG 4.03Å; V2097-F2139 HydrophobicContact CG1-CD1 3.79Å; V2097-F2139 HydrophobicContact CG1-CE1 3.96Å; V2097-L2140 HydrophobicContact CG1-CD2 3.97Å; V2097-L2140 HydrophobicContact CG1-CG 4.39Å |
| 2098 | F | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 179.4 | 177.6 | -85.3 | 0 | 0 | 0 | 112.5 | Y1958 V1985 L1987 F2067 I2068 V2071 V2086 R2094 S2102 | Y1958-F2098 HydrophobicContact CE1-CE1 4.26Å; V1985-F2098 HydrophobicContact CG1-CD2 4.13Å; V1985-F2098 HydrophobicContact CG1-CE1 4.36Å; V1985-F2098 HydrophobicContact CG1-CE2 3.85Å; V1985-F2098 HydrophobicContact CG1-CG 4.5Å; V1985-F2098 HydrophobicContact CG1-CZ 3.99Å; V1985-F2098 HydrophobicContact CG2-CE1 4.38Å; V1985-F2098 HydrophobicContact CG2-CZ 4Å; L1987-F2098 HydrophobicContact CD1-CB 3.66Å; L1987-F2098 HydrophobicContact CD1-CG 4.23Å; L1987-F2098 HydrophobicContact CD2-CD2 4.19Å; F2067-F2098 HydrophobicContact CD1-CD2 4.28Å; F2067-F2098 AromaticContact CD1-CE2 3.85Å; F2067-F2098 HydrophobicContact CD1-CE2 3.85Å; F2067-F2098 HydrophobicContact CE1-CD2 4.15Å; F2067-F2098 AromaticContact CE1-CE2 3.7Å; F2067-F2098 HydrophobicContact CE1-CE2 3.7Å; I2068-F2098 HydrophobicContact CB-CE2 4.38Å; I2068-F2098 HydrophobicContact CD1-CD2 4.24Å; I2068-F2098 HydrophobicContact CG1-CD2 3.61Å; I2068-F2098 HydrophobicContact CG1-CE2 3.44Å; I2068-F2098 VanDerWaalsContact CG1-CE2 3.44Å; I2068-F2098 HydrophobicContact CG1-CG 4.43Å; I2068-F2098 HydrophobicContact CG1-CZ 4.14Å; V2071-F2098 HydrophobicContact CB-CZ 4.34Å; V2071-F2098 HydrophobicContact CG1-CZ 4.13Å; V2071-F2098 HydrophobicContact CG2-CZ 4.44Å; V2086-F2098 HydrophobicContact CB-CD1 4.41Å; V2086-F2098 HydrophobicContact CG1-CB 4.21Å; V2086-F2098 HydrophobicContact CG1-CD1 3.71Å; V2086-F2098 HydrophobicContact CG1-CE1 4.39Å; V2086-F2098 HydrophobicContact CG1-CG 4.09Å; V2086-F2098 HydrophobicContact CG2-CD1 3.76Å; V2086-F2098 HydrophobicContact CG2-CE1 3.76Å; R2094-F2098 PolarHBondContact O-N 2.81Å; F2098-S2102 WeakPolarHBondContact O-CB 3.42Å; F2098-S2102 PolarHBondContact O-N 3.23Å; F2098-S2102 PolarHBondContact O-OG 3.41Å |
| 2099 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -76.1 | -43.8 | -179.5 | -62.2 | 172.4 | 0 | 0 | 0 | 111.1 | I1949 Y1958 A1960 V2086 T2095 G2096 V2097 L2101 S2102 I2103 L2123 M2130 | I1949-I2099 HydrophobicContact CG1-CD1 4.42Å; I1949-I2099 HydrophobicContact CG2-CG2 3.97Å; Y1958-I2099 HydrophobicContact CD1-CD1 4.32Å; Y1958-I2099 HydrophobicContact CD1-CG1 3.93Å; Y1958-I2099 HydrophobicContact CD2-CD1 4.45Å; Y1958-I2099 HydrophobicContact CD2-CG1 4.27Å; Y1958-I2099 HydrophobicContact CD2-CG2 3.64Å; Y1958-I2099 HydrophobicContact CE1-CG1 4.34Å; Y1958-I2099 HydrophobicContact CE2-CG2 3.73Å; Y1958-I2099 HydrophobicContact CG-CD1 3.94Å; Y1958-I2099 HydrophobicContact CG-CG1 3.9Å; Y1958-I2099 HydrophobicContact CG-CG2 4.15Å; A1960-I2099 HydrophobicContact CB-CD1 4.22Å; V2086-I2099 HydrophobicContact CB-CD1 4.25Å; V2086-I2099 HydrophobicContact CB-CG1 4.48Å; V2086-I2099 HydrophobicContact CG2-CD1 4.27Å; V2086-I2099 HydrophobicContact CG2-CG1 4.2Å; T2095-I2099 HydrophobicContact CG2-CD1 4.08Å; T2095-I2099 WeakPolarHBondContact O-CG1 3.29Å; T2095-I2099 PolarHBondContact O-N 2.76Å; G2096-I2099 PolarHBondContact O-N 3.47Å; V2097-I2099 VanDerWaalsContact C-N 3.34Å; V2097-I2099 PolarHBondContact O-N 3.17Å; I2099-L2101 PolarHBondContact O-N 3.2Å; I2099-S2102 WeakPolarHBondContact O-CB 3.38Å; I2099-S2102 PolarHBondContact O-N 2.79Å; I2099-I2103 HydrophobicContact CG2-CD1 3.98Å; I2099-I2103 WeakPolarHBondContact O-CG1 3.46Å; I2099-I2103 PolarHBondContact O-N 3.04Å; I2099-L2123 HydrophobicContact CB-CD2 4.35Å; I2099-L2123 HydrophobicContact CG2-CD2 3.59Å; I2099-M2130 HydrophobicContact CD1-CE 4.15Å |
| 2100 | A | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G2096 V2097 I2103 V2104 V2119 V2120 L2123 V2131 L2140 | G2096-A2100 WeakPolarHBondContact O-CB 3.27Å; G2096-A2100 PolarHBondContact O-N 3.44Å; V2097-A2100 PolarHBondContact O-N 3Å; A2100-I2103 PolarHBondContact O-N 2.78Å; A2100-V2104 VanDerWaalsContact O-CG2 3.3Å; A2100-V2104 WeakPolarHBondContact O-CG2 3.44Å; A2100-V2104 PolarHBondContact O-N 2.85Å; A2100-V2119 HydrophobicContact CB-CG1 4.07Å; A2100-V2120 HydrophobicContact CB-CG2 4.34Å; A2100-L2123 HydrophobicContact CB-CD1 3.58Å; A2100-V2131 HydrophobicContact CB-CG2 4.32Å; A2100-L2140 HydrophobicContact CB-CD1 3.67Å; A2100-L2140 HydrophobicContact CB-CD2 3.85Å; A2100-L2140 HydrophobicContact CB-CG 4.45Å |
| 2101 | L | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 177.8 | -170.1 | 53.3 | 0 | 0 | 0 | 110.7 | L2064 V2065 I2068 V2097 I2099 I2103 V2104 L2105 L2140 A2143 | L2064-L2101 HydrophobicContact CD2-CD2 4.17Å; V2065-L2101 HydrophobicContact CG2-CD2 4.15Å; I2068-L2101 HydrophobicContact CD1-CB 3.93Å; I2068-L2101 HydrophobicContact CD1-CD2 3.7Å; I2068-L2101 HydrophobicContact CD1-CG 3.82Å; V2097-L2101 WeakPolarHBondContact O-CB 3.03Å; V2097-L2101 PolarHBondContact O-N 2.78Å; I2099-L2101 PolarHBondContact O-N 3.2Å; L2101-I2103 VanDerWaalsContact C-N 3.27Å; L2101-I2103 PolarHBondContact O-N 2.67Å; L2101-V2104 PolarHBondContact O-N 2.73Å; L2101-L2105 HydrophobicContact CD1-CD1 4.24Å; L2101-L2105 HydrophobicContact CD1-CD2 4.09Å; L2101-L2105 HydrophobicContact CD1-CG 3.92Å; L2101-L2105 HydrophobicContact CG-CD1 3.88Å; L2101-L2105 HydrophobicContact CG-CG 4.08Å; L2101-L2105 WeakPolarHBondContact O-CB 3.41Å; L2101-L2105 WeakPolarHBondContact O-CG 3.35Å; L2101-L2105 PolarHBondContact O-N 3.26Å; L2101-L2140 HydrophobicContact CB-CD2 3.71Å; L2101-L2140 HydrophobicContact CD1-CD2 4.4Å; L2101-A2143 HydrophobicContact CD1-CB 3.64Å; L2101-A2143 HydrophobicContact CD2-CB 3.8Å; L2101-A2143 HydrophobicContact CG-CB 4.41Å |
| 2102 | S | 95.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54.9 | -41.1 | 173.9 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | Y1958 I2068 H2072 F2098 I2099 E2106 | Y1958-S2102 WeakPolarHBondContact OH-CB 3.17Å; I2068-S2102 WeakPolarHBondContact CG2-OG 3.48Å; H2072-S2102 PolarHBondContact NE2-OG 2.79Å; F2098-S2102 WeakPolarHBondContact O-CB 3.42Å; F2098-S2102 PolarHBondContact O-N 3.23Å; F2098-S2102 PolarHBondContact O-OG 3.41Å; I2099-S2102 WeakPolarHBondContact O-CB 3.38Å; I2099-S2102 PolarHBondContact O-N 2.79Å; S2102-E2106 PolarHBondContact O-N 2.84Å |
| 2103 | I | 94.7 | Very high | 91.1 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 8% | 0.082 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.2 | -46.9 | 177.4 | -68.8 | 167.1 | 0 | 0 | 0 | 110.8 | I2099 A2100 L2101 L2105 E2106 R2107 V2119 L2123 | I2099-I2103 HydrophobicContact CG2-CD1 3.98Å; I2099-I2103 WeakPolarHBondContact O-CG1 3.46Å; I2099-I2103 PolarHBondContact O-N 3.04Å; A2100-I2103 PolarHBondContact O-N 2.78Å; L2101-I2103 VanDerWaalsContact C-N 3.27Å; L2101-I2103 PolarHBondContact O-N 2.67Å; I2103-L2105 PolarHBondContact O-N 2.97Å; I2103-E2106 PolarHBondContact O-N 2.88Å; I2103-R2107 HydrophobicContact CG2-CG 4.47Å; I2103-R2107 WeakPolarHBondContact O-CG 3.33Å; I2103-R2107 PolarHBondContact O-N 2.73Å; I2103-V2119 HydrophobicContact CB-CG1 4Å; I2103-V2119 HydrophobicContact CD1-CG1 4.28Å; I2103-V2119 HydrophobicContact CG2-CB 4.41Å; I2103-V2119 HydrophobicContact CG2-CG1 3.82Å; I2103-V2119 HydrophobicContact CG2-CG2 3.64Å; I2103-L2123 HydrophobicContact CD1-CD2 4.28Å |
| 2104 | V | 93.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | -179.3 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | A2100 L2101 E2106 R2107 I2108 V2114 I2116 V2119 A2144 | A2100-V2104 VanDerWaalsContact O-CG2 3.3Å; A2100-V2104 WeakPolarHBondContact O-CG2 3.44Å; A2100-V2104 PolarHBondContact O-N 2.85Å; L2101-V2104 PolarHBondContact O-N 2.73Å; V2104-E2106 VanDerWaalsContact C-N 3.33Å; V2104-E2106 PolarHBondContact O-N 2.93Å; V2104-R2107 PolarHBondContact O-N 3.1Å; V2104-I2108 HydrophobicContact CG1-CD1 3.89Å; V2104-I2108 HydrophobicContact CG1-CG1 4.41Å; V2104-I2108 VanDerWaalsContact O-CG1 3.32Å; V2104-I2108 WeakPolarHBondContact O-CG1 3.27Å; V2104-I2108 PolarHBondContact O-N 2.86Å; V2104-V2114 HydrophobicContact CG1-CG1 4.17Å; V2104-V2114 HydrophobicContact CG1-CG2 4.47Å; V2104-I2116 HydrophobicContact CG1-CG1 4.34Å; V2104-I2116 HydrophobicContact CG2-CG1 3.84Å; V2104-V2119 HydrophobicContact CG2-CB 4.41Å; V2104-V2119 HydrophobicContact CG2-CG1 4.33Å; V2104-V2119 HydrophobicContact CG2-CG2 4.22Å; V2104-A2144 HydrophobicContact CG1-CB 4.05Å |
| 2105 | L | 91.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 20.8 Ų | 20.8 | 7% | 0.073 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.1 | -64.6 | 171.7 | 0 | 0 | 0 | 111.9 | V2065 I2068 L2101 I2103 R2109 Y2147 | V2065-L2105 HydrophobicContact CG1-CD1 4.31Å; V2065-L2105 HydrophobicContact CG1-CD2 4.48Å; I2068-L2105 HydrophobicContact CD1-CD1 4.4Å; I2068-L2105 HydrophobicContact CG2-CD1 4.04Å; L2101-L2105 HydrophobicContact CD1-CD1 4.24Å; L2101-L2105 HydrophobicContact CD1-CD2 4.09Å; L2101-L2105 HydrophobicContact CD1-CG 3.92Å; L2101-L2105 HydrophobicContact CG-CD1 3.88Å; L2101-L2105 HydrophobicContact CG-CG 4.08Å; L2101-L2105 WeakPolarHBondContact O-CB 3.41Å; L2101-L2105 WeakPolarHBondContact O-CG 3.35Å; L2101-L2105 PolarHBondContact O-N 3.26Å; I2103-L2105 PolarHBondContact O-N 2.97Å; L2105-R2109 WeakPolarHBondContact O-CB 3.46Å; L2105-R2109 PolarHBondContact O-N 2.85Å; L2105-Y2147 HydrophobicContact CB-CE1 4.17Å; L2105-Y2147 HydrophobicContact CD2-CD1 3.17Å; L2105-Y2147 HydrophobicContact CD2-CD2 3.74Å; L2105-Y2147 HydrophobicContact CD2-CE1 3.55Å; L2105-Y2147 HydrophobicContact CD2-CE2 4.08Å; L2105-Y2147 HydrophobicContact CD2-CG 3.24Å; L2105-Y2147 HydrophobicContact CG-CD1 4.42Å; L2105-Y2147 HydrophobicContact CG-CE1 4.44Å |
| 2106 | E | 87.3 | Confident | 90.4 | Very high | 42 Ų | 42 | 21 Ų | 21 | 20% | 0.196 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.7 | -40.2 | 172 | -70.4 | -160.5 | 147.9 | 0 | 0 | 112.4 | Y1952 S2102 I2103 V2104 R2109 F2110 | Y1952-E2106 HydrophobicContact CD1-CB 3.55Å; Y1952-E2106 WeakPolarHBondContact CD1-OE2 3.39Å; Y1952-E2106 HydrophobicContact CE1-CB 4.19Å; Y1952-E2106 HydrophobicContact CG-CB 4.24Å; S2102-E2106 PolarHBondContact O-N 2.84Å; I2103-E2106 PolarHBondContact O-N 2.88Å; V2104-E2106 VanDerWaalsContact C-N 3.33Å; V2104-E2106 PolarHBondContact O-N 2.93Å; E2106-R2109 PolarHBondContact O-N 3.43Å; E2106-F2110 HydrophobicContact CB-CD2 4.22Å; E2106-F2110 HydrophobicContact CB-CE2 4.43Å; E2106-F2110 WeakPolarHBondContact O-CD2 3.21Å; E2106-F2110 PolarHBondContact O-N 3.27Å |
| 2107 | R | 87.6 | Confident | 90.3 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 3% | 0.03 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 176.4 | -68.2 | -162.8 | 77.5 | -162.9 | -1.7 | 112.2 | E1863 Y1952 I2103 V2104 R2109 F2110 E2111 C2112 | E1863-R2107 IonicContact OE2-CZ 2.97Å; E1863-R2107 VanDerWaalsContact OE2-CZ 3.31Å; E1863-R2107 IonicContact OE2-NH1 3.46Å; E1863-R2107 PolarHBondContact OE2-NH1 2.84Å; E1863-R2107 IonicContact OE2-NH2 2.72Å; E1863-R2107 PolarHBondContact OE2-NH2 2.89Å; Y1952-R2107 HydrophobicContact CD2-CG 3.75Å; Y1952-R2107 HydrophobicContact CE2-CG 3.72Å; Y1952-R2107 HydrophobicContact CG-CG 4.33Å; I2103-R2107 HydrophobicContact CG2-CG 4.47Å; I2103-R2107 WeakPolarHBondContact O-CG 3.33Å; I2103-R2107 PolarHBondContact O-N 2.73Å; V2104-R2107 PolarHBondContact O-N 3.1Å; R2107-R2109 PolarHBondContact O-N 2.77Å; R2107-F2110 PolarHBondContact O-N 3.31Å; R2107-E2111 IonicContact CZ-OE2 3.76Å; R2107-E2111 IonicContact NE-OE2 3.22Å; R2107-E2111 PolarHBondContact NE-OE2 3.32Å; R2107-E2111 IonicContact NH2-OE1 2.73Å; R2107-E2111 IonicContact NH2-OE2 3.71Å; R2107-E2111 PolarHBondContact NH2-OE2 3.05Å; R2107-E2111 PolarHBondContact O-N 3.03Å; R2107-C2112 PolarHBondContact O-N 3.17Å |
| 2108 | I | 87.6 | Confident | 90 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -52.6 | -44.3 | 172.9 | -73 | 167.3 | 0 | 0 | 0 | 110.7 | V1866 V2104 C2112 V2114 A2144 Y2147 L2148 | V1866-I2108 HydrophobicContact CG2-CG1 4.31Å; V1866-I2108 HydrophobicContact CG2-CG2 4.31Å; V2104-I2108 HydrophobicContact CG1-CD1 3.89Å; V2104-I2108 HydrophobicContact CG1-CG1 4.41Å; V2104-I2108 VanDerWaalsContact O-CG1 3.32Å; V2104-I2108 WeakPolarHBondContact O-CG1 3.27Å; V2104-I2108 PolarHBondContact O-N 2.86Å; I2108-C2112 WeakPolarHBondContact O-CA 3.38Å; I2108-C2112 PolarHBondContact O-N 2.97Å; I2108-V2114 HydrophobicContact CD1-CG2 3.78Å; I2108-V2114 HydrophobicContact CG1-CG2 3.43Å; I2108-V2114 VanDerWaalsContact CG1-CG2 3.43Å; I2108-A2144 HydrophobicContact CD1-CB 4.07Å; I2108-Y2147 HydrophobicContact CD1-CD1 4.14Å; I2108-Y2147 HydrophobicContact CG2-CD1 4.12Å; I2108-Y2147 HydrophobicContact CG2-CE1 4.15Å; I2108-L2148 HydrophobicContact CG2-CD2 3.59Å; I2108-L2148 HydrophobicContact CG2-CG 4.43Å |
| 2109 | R | 81 | Confident | 89.7 | Confident | 168 Ų | 168 | 21.8 Ų | 21.8 | 63% | 0.634 | 10% | 0.099 | S | C | * | . | H | α-helix | trans | -77.1 | -20.5 | -175.2 | -174.9 | 172.8 | 179.2 | -177.1 | 1.2 | 114.9 | L2105 E2106 R2107 | L2105-R2109 WeakPolarHBondContact O-CB 3.46Å; L2105-R2109 PolarHBondContact O-N 2.85Å; E2106-R2109 PolarHBondContact O-N 3.43Å; R2107-R2109 PolarHBondContact O-N 2.77Å |
| 2110 | F | 74.3 | Confident | 89.6 | Confident | 91 Ų | 91 | 21.8 Ų | 21.8 | 40% | 0.399 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -123.8 | -17.8 | -172.2 | -66.5 | -59 | 0 | 0 | 0 | 115.7 | Y1952 R1953 E2106 R2107 | Y1952-F2110 HydrophobicContact CE1-CB 4.05Å; Y1952-F2110 AromaticContact CE1-CD2 3.89Å; Y1952-F2110 HydrophobicContact CE1-CD2 3.89Å; Y1952-F2110 HydrophobicContact CE1-CG 4.38Å; R1953-F2110 VanDerWaalsContact NH2-CD1 3.29Å; R1953-F2110 VanDerWaalsContact NH2-CE2 3.3Å; E2106-F2110 HydrophobicContact CB-CD2 4.22Å; E2106-F2110 HydrophobicContact CB-CE2 4.43Å; E2106-F2110 WeakPolarHBondContact O-CD2 3.21Å; E2106-F2110 PolarHBondContact O-N 3.27Å; R2107-F2110 PolarHBondContact O-N 3.31Å |
| 2111 | E | 74.4 | Confident | 89.4 | Confident | 41 Ų | 41 | 21.8 Ų | 21.8 | 19% | 0.192 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -126.6 | -9.1 | 177.5 | -69.7 | 169.9 | 152.7 | 0 | 0 | 112.7 | H1781 Y1952 R2107 V2113 | H1781-E2111 IonicContact ND1-OE1 3.4Å; Y1952-E2111 VanDerWaalsContact OH-CG 3.25Å; Y1952-E2111 WeakPolarHBondContact OH-CG 3.16Å; Y1952-E2111 PolarHBondContact OH-OE1 3.33Å; R2107-E2111 IonicContact CZ-OE2 3.76Å; R2107-E2111 IonicContact NE-OE2 3.22Å; R2107-E2111 PolarHBondContact NE-OE2 3.32Å; R2107-E2111 IonicContact NH2-OE1 2.73Å; R2107-E2111 IonicContact NH2-OE2 3.71Å; R2107-E2111 PolarHBondContact NH2-OE2 3.05Å; R2107-E2111 PolarHBondContact O-N 3.03Å; E2111-V2113 HydrophobicContact CB-CG2 3.87Å; E2111-V2113 PolarHBondContact O-N 3.2Å; E2111-V2113 VanDerWaalsContact O-N 3.15Å |
| 2112 | C | 82.8 | Confident | 89.1 | Confident | 21 Ų | 21 | 22.9 Ų | 22.9 | 14% | 0.142 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 53.3 | 29.3 | -174.5 | -56.2 | 0 | 0 | 0 | 0 | 114.6 | V1866 R2107 I2108 C2159 | V1866-C2112 WeakPolarHBondContact CB-O 3.45Å; V1866-C2112 VanDerWaalsContact CG2-O 3.3Å; V1866-C2112 WeakPolarHBondContact CG2-O 3.4Å; V1866-C2112 PolarHBondContact N-O 3.11Å; R2107-C2112 PolarHBondContact O-N 3.17Å; I2108-C2112 WeakPolarHBondContact O-CA 3.38Å; I2108-C2112 PolarHBondContact O-N 2.97Å; C2112-C2159 HydrophobicContact CB-CB 3.48Å; C2112-C2159 VanDerWaalsContact CB-CB 3.48Å; C2112-C2159 WeakPolarHBondContact CB-SG 3.44Å; C2112-C2159 VanDerWaalsContact SG-CA 3.54Å; C2112-C2159 WeakPolarHBondContact SG-CB 3.29Å; C2112-C2159 CovalentContact SG-SG 2.03Å; C2112-C2159 PolarHBondContact SG-SG 2.79Å |
| 2113 | V | 86 | Confident | 89 | Confident | 25 Ų | 25 | 22.8 Ų | 22.8 | 15% | 0.152 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 159.2 | 172.9 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | E1863 V1864 E2111 | E1863-V2113 HydrophobicContact CG-CB 3.95Å; E1863-V2113 HydrophobicContact CG-CG1 4.36Å; E1863-V2113 HydrophobicContact CG-CG2 3.96Å; V1864-V2113 CarbonylContact O-C 3.52Å; V1864-V2113 WeakPolarHBondContact O-CA 3.37Å; E2111-V2113 HydrophobicContact CB-CG2 3.87Å; E2111-V2113 PolarHBondContact O-N 3.2Å; E2111-V2113 VanDerWaalsContact O-N 3.15Å |
| 2114 | V | 90.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.6 | 172.6 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | V1864 V1866 L1869 V2104 I2108 I2116 A2144 | V1864-V2114 PolarHBondContact N-O 2.98Å; V1864-V2114 PolarHBondContact O-N 3.12Å; V1866-V2114 HydrophobicContact CG2-CG2 4.36Å; L1869-V2114 HydrophobicContact CD1-CB 3.98Å; L1869-V2114 HydrophobicContact CD1-CG1 3.91Å; L1869-V2114 HydrophobicContact CD1-CG2 4.4Å; L1869-V2114 HydrophobicContact CD2-CB 4.4Å; L1869-V2114 HydrophobicContact CD2-CG1 4.47Å; L1869-V2114 HydrophobicContact CD2-CG2 3.93Å; V2104-V2114 HydrophobicContact CG1-CG1 4.17Å; V2104-V2114 HydrophobicContact CG1-CG2 4.47Å; I2108-V2114 HydrophobicContact CD1-CG2 3.78Å; I2108-V2114 HydrophobicContact CG1-CG2 3.43Å; I2108-V2114 VanDerWaalsContact CG1-CG2 3.43Å; V2114-I2116 HydrophobicContact CG1-CD1 3.65Å; V2114-I2116 HydrophobicContact CG1-CG1 3.7Å; V2114-A2144 HydrophobicContact CG1-CB 4.5Å |
| 2115 | D | 90.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -144 | 78.8 | 173.9 | -170.6 | -21.2 | 0 | 0 | 0 | 107.5 | K1780 T1862 E1863 F2117 T2118 V2119 | K1780-D2115 IonicContact NZ-OD2 3.25Å; K1780-D2115 PolarHBondContact NZ-OD2 3Å; T1862-D2115 WeakPolarHBondContact CB-OD1 3.08Å; T1862-D2115 WeakPolarHBondContact O-CA 3.14Å; T1862-D2115 PolarHBondContact OG1-OD1 3.49Å; T1862-D2115 PolarHBondContact OG1-OD2 3.32Å; E1863-D2115 HydrophobicContact CB-CB 4.06Å; E1863-D2115 HydrophobicContact CG-CB 4.21Å; D2115-F2117 VanDerWaalsContact C-N 3.33Å; D2115-T2118 WeakPolarHBondContact OD1-CB 3.39Å; D2115-T2118 PolarHBondContact OD1-N 3.26Å; D2115-T2118 PolarHBondContact OD1-OG1 3.4Å; D2115-T2118 VanDerWaalsContact OD2-CB 3.26Å; D2115-T2118 WeakPolarHBondContact OD2-CB 3.34Å; D2115-T2118 PolarHBondContact OD2-OG1 2.59Å; D2115-V2119 VanDerWaalsContact O-CG2 3.28Å; D2115-V2119 WeakPolarHBondContact O-CG2 3.17Å; D2115-V2119 PolarHBondContact O-N 2.9Å; D2115-V2119 VanDerWaalsContact O-N 3.15Å | ||
| 2116 | I | 95 | Very high | 88.7 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.1 | -36.7 | -174.8 | -73 | 157.7 | 0 | 0 | 0 | 110.2 | V2104 V2114 V2119 V2120 Y2137 L2140 H2141 A2144 | V2104-I2116 HydrophobicContact CG1-CG1 4.34Å; V2104-I2116 HydrophobicContact CG2-CG1 3.84Å; V2114-I2116 HydrophobicContact CG1-CD1 3.65Å; V2114-I2116 HydrophobicContact CG1-CG1 3.7Å; I2116-V2119 PolarHBondContact O-N 2.75Å; I2116-V2120 HydrophobicContact CG2-CG2 4.27Å; I2116-V2120 WeakPolarHBondContact O-CG2 3.2Å; I2116-V2120 PolarHBondContact O-N 2.77Å; I2116-Y2137 HydrophobicContact CG2-CD2 4.12Å; I2116-Y2137 HydrophobicContact CG2-CE2 3.65Å; I2116-L2140 HydrophobicContact CD1-CB 4.33Å; I2116-L2140 HydrophobicContact CG2-CB 3.93Å; I2116-L2140 HydrophobicContact CG2-CD1 4.12Å; I2116-H2141 HydrophobicContact CD1-CB 4.26Å; I2116-H2141 VanDerWaalsContact CG2-CE1 3.46Å; I2116-H2141 WeakPolarHBondContact CG2-CE1 3.2Å; I2116-A2144 HydrophobicContact CD1-CB 4.25Å |
| 2117 | F | 94.1 | Very high | 89 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 2% | 0.022 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.2 | -56.8 | 173.1 | -179.7 | -88.7 | 0 | 0 | 0 | 111.9 | T1862 E1891 H1894 L1895 D2115 V2119 V2120 K2121 Y2137 | T1862-F2117 HydrophobicContact CG2-CB 3.68Å; T1862-F2117 HydrophobicContact CG2-CD1 3.85Å; T1862-F2117 HydrophobicContact CG2-CD2 4.41Å; T1862-F2117 HydrophobicContact CG2-CG 3.73Å; E1891-F2117 HydrophobicContact CB-CD2 4.35Å; H1894-F2117 AromaticContact CD2-CE2 3.68Å; H1894-F2117 AromaticContact CD2-CZ 3.47Å; H1894-F2117 VanDerWaalsContact CD2-CZ 3.47Å; H1894-F2117 WeakPolarHBondContact CD2-CZ 3.44Å; H1894-F2117 AromaticContact NE2-CZ 3.99Å; L1895-F2117 HydrophobicContact CD1-CD2 4.02Å; L1895-F2117 HydrophobicContact CD1-CE2 4.39Å; L1895-F2117 HydrophobicContact CD2-CD2 3.74Å; L1895-F2117 HydrophobicContact CD2-CE1 4.45Å; L1895-F2117 HydrophobicContact CD2-CE2 3.56Å; L1895-F2117 HydrophobicContact CD2-CG 4.26Å; L1895-F2117 HydrophobicContact CD2-CZ 3.92Å; L1895-F2117 HydrophobicContact CG-CD2 3.63Å; L1895-F2117 HydrophobicContact CG-CE2 3.5Å; L1895-F2117 HydrophobicContact CG-CZ 4.32Å; D2115-F2117 VanDerWaalsContact C-N 3.33Å; F2117-V2119 VanDerWaalsContact C-N 3.3Å; F2117-V2119 PolarHBondContact O-N 3.09Å; F2117-V2120 PolarHBondContact O-N 3.32Å; F2117-K2121 HydrophobicContact CE1-CD 3.82Å; F2117-K2121 HydrophobicContact CZ-CD 4.41Å; F2117-K2121 VanDerWaalsContact O-CB 3.24Å; F2117-K2121 WeakPolarHBondContact O-CB 3.21Å; F2117-K2121 PolarHBondContact O-N 2.83Å; F2117-Y2137 WeakPolarHBondContact CA-OH 3.27Å; F2117-Y2137 WeakPolarHBondContact CB-OH 3.44Å; F2117-Y2137 PolarHBondContact N-OH 2.92Å |
| 2118 | T | 91.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 22.4 Ų | 22.4 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.2 | -35 | -178.1 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | T1773 M1777 T1862 D2115 L2122 | T1773-T2118 HydrophobicContact CG2-CG2 3.53Å; M1777-T2118 HydrophobicContact CG-CG2 3.74Å; M1777-T2118 HydrophobicContact SD-CG2 3.51Å; M1777-T2118 VanDerWaalsContact SD-CG2 3.51Å; T1862-T2118 PolarHBondContact OG1-OG1 3.45Å; D2115-T2118 WeakPolarHBondContact OD1-CB 3.39Å; D2115-T2118 PolarHBondContact OD1-N 3.26Å; D2115-T2118 PolarHBondContact OD1-OG1 3.4Å; D2115-T2118 VanDerWaalsContact OD2-CB 3.26Å; D2115-T2118 WeakPolarHBondContact OD2-CB 3.34Å; D2115-T2118 PolarHBondContact OD2-OG1 2.59Å; T2118-L2122 HydrophobicContact CG2-CD1 4.48Å; T2118-L2122 WeakPolarHBondContact O-CB 3.4Å; T2118-L2122 WeakPolarHBondContact O-CG 3.19Å; T2118-L2122 PolarHBondContact O-N 2.81Å |
| 2119 | V | 93.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.036 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -49.6 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A2100 I2103 V2104 D2115 I2116 F2117 K2121 L2122 L2123 | A2100-V2119 HydrophobicContact CB-CG1 4.07Å; I2103-V2119 HydrophobicContact CB-CG1 4Å; I2103-V2119 HydrophobicContact CD1-CG1 4.28Å; I2103-V2119 HydrophobicContact CG2-CB 4.41Å; I2103-V2119 HydrophobicContact CG2-CG1 3.82Å; I2103-V2119 HydrophobicContact CG2-CG2 3.64Å; V2104-V2119 HydrophobicContact CG2-CB 4.41Å; V2104-V2119 HydrophobicContact CG2-CG1 4.33Å; V2104-V2119 HydrophobicContact CG2-CG2 4.22Å; D2115-V2119 VanDerWaalsContact O-CG2 3.28Å; D2115-V2119 WeakPolarHBondContact O-CG2 3.17Å; D2115-V2119 PolarHBondContact O-N 2.9Å; D2115-V2119 VanDerWaalsContact O-N 3.15Å; I2116-V2119 PolarHBondContact O-N 2.75Å; F2117-V2119 VanDerWaalsContact C-N 3.3Å; F2117-V2119 PolarHBondContact O-N 3.09Å; V2119-K2121 VanDerWaalsContact C-N 3.3Å; V2119-K2121 PolarHBondContact O-N 3.09Å; V2119-L2122 PolarHBondContact O-N 3.41Å; V2119-L2123 HydrophobicContact CG1-CD1 4.27Å; V2119-L2123 WeakPolarHBondContact O-CG 3.33Å; V2119-L2123 PolarHBondContact O-N 2.94Å |
| 2120 | V | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.2 | -35 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | L1895 A2100 I2116 F2117 L2123 R2124 V2131 Y2137 L2140 | L1895-V2120 HydrophobicContact CD1-CB 4.11Å; L1895-V2120 HydrophobicContact CD1-CG1 3.89Å; L1895-V2120 HydrophobicContact CD2-CG1 4.48Å; A2100-V2120 HydrophobicContact CB-CG2 4.34Å; I2116-V2120 HydrophobicContact CG2-CG2 4.27Å; I2116-V2120 WeakPolarHBondContact O-CG2 3.2Å; I2116-V2120 PolarHBondContact O-N 2.77Å; F2117-V2120 PolarHBondContact O-N 3.32Å; V2120-L2123 PolarHBondContact O-N 2.8Å; V2120-R2124 HydrophobicContact CG1-CG 4.39Å; V2120-R2124 WeakPolarHBondContact O-CB 3.48Å; V2120-R2124 WeakPolarHBondContact O-CG 3.46Å; V2120-R2124 PolarHBondContact O-N 2.74Å; V2120-V2131 HydrophobicContact CG1-CB 3.97Å; V2120-V2131 HydrophobicContact CG1-CG2 4.16Å; V2120-V2131 HydrophobicContact CG2-CB 4.35Å; V2120-V2131 HydrophobicContact CG2-CG2 3.85Å; V2120-Y2137 HydrophobicContact CB-CE2 4.36Å; V2120-Y2137 HydrophobicContact CG2-CD2 4.16Å; V2120-Y2137 HydrophobicContact CG2-CE2 4.13Å; V2120-L2140 HydrophobicContact CG2-CD1 3.89Å |
| 2121 | K | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 172.5 | -175.3 | 174 | -170.9 | -162.1 | 0 | 112.5 | H1771 T1773 D1855 S1859 L1895 L1898 F2117 V2119 L2123 R2124 A2125 | H1771-K2121 WeakPolarHBondContact NE2-CE 3.45Å; T1773-K2121 HydrophobicContact CG2-CD 4.44Å; T1773-K2121 WeakPolarHBondContact OG1-CD 3.4Å; T1773-K2121 VanDerWaalsContact OG1-CE 3.27Å; T1773-K2121 WeakPolarHBondContact OG1-CE 3.45Å; T1773-K2121 PolarHBondContact OG1-NZ 2.83Å; D1855-K2121 WeakPolarHBondContact OD1-CE 3.23Å; D1855-K2121 IonicContact OD1-NZ 2.76Å; D1855-K2121 PolarHBondContact OD1-NZ 3.38Å; D1855-K2121 IonicContact OD2-NZ 2.67Å; D1855-K2121 PolarHBondContact OD2-NZ 2.86Å; S1859-K2121 PolarHBondContact OG-NZ 2.82Å; L1895-K2121 HydrophobicContact CD2-CB 3.93Å; L1898-K2121 HydrophobicContact CD1-CB 4.44Å; L1898-K2121 HydrophobicContact CD1-CD 4.06Å; L1898-K2121 HydrophobicContact CD1-CG 3.74Å; F2117-K2121 HydrophobicContact CE1-CD 3.82Å; F2117-K2121 HydrophobicContact CZ-CD 4.41Å; F2117-K2121 VanDerWaalsContact O-CB 3.24Å; F2117-K2121 WeakPolarHBondContact O-CB 3.21Å; F2117-K2121 PolarHBondContact O-N 2.83Å; V2119-K2121 VanDerWaalsContact C-N 3.3Å; V2119-K2121 PolarHBondContact O-N 3.09Å; K2121-L2123 VanDerWaalsContact C-N 3.29Å; K2121-L2123 PolarHBondContact O-N 2.84Å; K2121-R2124 PolarHBondContact O-N 2.94Å; K2121-A2125 WeakPolarHBondContact O-CB 3.41Å; K2121-A2125 PolarHBondContact O-N 3.21Å |
| 2122 | L | 90.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 15.4 Ų | 15.4 | 12% | 0.115 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.1 | -32.5 | 174.8 | -79.5 | 175.7 | 0 | 0 | 0 | 113.1 | Y1736 T1773 A1774 M1777 T2118 V2119 Q2126 | Y1736-L2122 HydrophobicContact CE2-CD1 3.83Å; Y1736-L2122 HydrophobicContact CE2-CD2 4.5Å; T1773-L2122 HydrophobicContact CG2-CD1 4.43Å; T1773-L2122 HydrophobicContact CG2-CD2 3.79Å; T1773-L2122 HydrophobicContact CG2-CG 3.78Å; A1774-L2122 HydrophobicContact CB-CD2 4.29Å; M1777-L2122 HydrophobicContact SD-CD1 3.52Å; M1777-L2122 VanDerWaalsContact SD-CD1 3.52Å; T2118-L2122 HydrophobicContact CG2-CD1 4.48Å; T2118-L2122 WeakPolarHBondContact O-CB 3.4Å; T2118-L2122 WeakPolarHBondContact O-CG 3.19Å; T2118-L2122 PolarHBondContact O-N 2.81Å; V2119-L2122 PolarHBondContact O-N 3.41Å; L2122-Q2126 WeakPolarHBondContact O-CG 3.17Å; L2122-Q2126 PolarHBondContact O-NE2 2.9Å |
| 2123 | L | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.1 | -44.8 | 173 | -66.1 | 170.3 | 0 | 0 | 0 | 111.3 | I1949 I2099 A2100 I2103 V2119 V2120 K2121 A2125 Q2126 R2127 M2130 | I1949-L2123 HydrophobicContact CG2-CD2 3.31Å; I2099-L2123 HydrophobicContact CB-CD2 4.35Å; I2099-L2123 HydrophobicContact CG2-CD2 3.59Å; A2100-L2123 HydrophobicContact CB-CD1 3.58Å; I2103-L2123 HydrophobicContact CD1-CD2 4.28Å; V2119-L2123 HydrophobicContact CG1-CD1 4.27Å; V2119-L2123 WeakPolarHBondContact O-CG 3.33Å; V2119-L2123 PolarHBondContact O-N 2.94Å; V2120-L2123 PolarHBondContact O-N 2.8Å; K2121-L2123 VanDerWaalsContact C-N 3.29Å; K2121-L2123 PolarHBondContact O-N 2.84Å; L2123-A2125 VanDerWaalsContact C-N 3.28Å; L2123-A2125 PolarHBondContact O-N 2.94Å; L2123-Q2126 PolarHBondContact O-N 2.95Å; L2123-R2127 PolarHBondContact O-N 3.13Å; L2123-M2130 HydrophobicContact CB-CB 3.78Å; L2123-M2130 HydrophobicContact CB-CE 4.17Å; L2123-M2130 HydrophobicContact CB-CG 4.19Å; L2123-M2130 HydrophobicContact CD2-CE 3.97Å; L2123-M2130 HydrophobicContact CG-CE 4.45Å |
| 2124 | R | 92.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 5% | 0.053 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.4 | -30.6 | 177 | -74.8 | -174.6 | 175.5 | -160.8 | 3 | 112.8 | F1892 L1895 S1896 F1900 Y1925 V2120 K2121 Q2126 R2127 M2130 V2131 | F1892-R2124 VanDerWaalsContact CE2-NH2 3.28Å; L1895-R2124 PolarHBondContact O-NH1 2.86Å; S1896-R2124 VanDerWaalsContact CA-NH1 3.26Å; S1896-R2124 PolarHBondContact OG-NH1 2.81Å; F1900-R2124 VanDerWaalsContact CE2-C 3.45Å; F1900-R2124 HydrophobicContact CE2-CB 3.98Å; F1900-R2124 WeakPolarHBondContact CE2-O 3.39Å; F1900-R2124 HydrophobicContact CZ-CB 4.18Å; Y1925-R2124 WeakPolarHBondContact CE2-O 3.18Å; Y1925-R2124 PolarHBondContact OH-O 2.87Å; V2120-R2124 HydrophobicContact CG1-CG 4.39Å; V2120-R2124 WeakPolarHBondContact O-CB 3.48Å; V2120-R2124 WeakPolarHBondContact O-CG 3.46Å; V2120-R2124 PolarHBondContact O-N 2.74Å; K2121-R2124 PolarHBondContact O-N 2.94Å; R2124-Q2126 VanDerWaalsContact C-N 3.27Å; R2124-Q2126 PolarHBondContact O-N 2.87Å; R2124-R2127 WeakPolarHBondContact CA-O 3.4Å; R2124-R2127 CarbonylContact O-C 3.44Å; R2124-M2130 HydrophobicContact CG-CB 4.17Å; R2124-M2130 WeakPolarHBondContact CG-O 3.3Å; R2124-M2130 PolarHBondContact NE-O 2.83Å; R2124-V2131 PolarHBondContact NH2-O 3.05Å |
| 2125 | A | 88.6 | Confident | 93.1 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 19% | 0.19 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.7 | -22.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1900 Y1925 K2121 L2123 | F1900-A2125 HydrophobicContact CD1-CB 3.86Å; F1900-A2125 HydrophobicContact CE1-CB 3.58Å; F1900-A2125 HydrophobicContact CE2-CB 4.37Å; F1900-A2125 HydrophobicContact CG-CB 4.36Å; F1900-A2125 HydrophobicContact CZ-CB 3.87Å; Y1925-A2125 WeakPolarHBondContact CD2-O 3.48Å; Y1925-A2125 WeakPolarHBondContact CE2-O 3.49Å; K2121-A2125 WeakPolarHBondContact O-CB 3.41Å; K2121-A2125 PolarHBondContact O-N 3.21Å; L2123-A2125 VanDerWaalsContact C-N 3.28Å; L2123-A2125 PolarHBondContact O-N 2.94Å |
| 2126 | Q | 91.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 23.7 Ų | 23.7 | 12% | 0.121 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -103.1 | -27.7 | -179.4 | -66.9 | 172.9 | 84.2 | 0 | 0 | 113.1 | Y1925 S1928 I1949 L2122 L2123 R2124 | Y1925-Q2126 WeakPolarHBondContact CD2-O 3.27Å; S1928-Q2126 WeakPolarHBondContact CB-O 3.46Å; S1928-Q2126 PolarHBondContact OG-O 3.27Å; I1949-Q2126 HydrophobicContact CD1-CB 3.72Å; L2122-Q2126 WeakPolarHBondContact O-CG 3.17Å; L2122-Q2126 PolarHBondContact O-NE2 2.9Å; L2123-Q2126 PolarHBondContact O-N 2.95Å; R2124-Q2126 VanDerWaalsContact C-N 3.27Å; R2124-Q2126 PolarHBondContact O-N 2.87Å |
| 2127 | R | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -150.1 | 130.6 | 171.8 | -175.4 | 174.9 | 176.4 | 74.5 | 3.2 | 109.1 | N1945 S1947 I1949 T2090 G2091 V2092 L2123 R2124 M2130 | N1945-R2127 PolarHBondContact OD1-NH1 3.47Å; N1945-R2127 VanDerWaalsContact OD1-NH1 3.09Å; N1945-R2127 PolarHBondContact OD1-NH2 3.49Å; S1947-R2127 PolarHBondContact OG-NH1 2.88Å; I1949-R2127 HydrophobicContact CD1-CB 3.89Å; T2090-R2127 PolarHBondContact O-NH2 2.95Å; G2091-R2127 PolarHBondContact O-NE 3.04Å; V2092-R2127 HydrophobicContact CG1-CG 4.04Å; L2123-R2127 PolarHBondContact O-N 3.13Å; R2124-R2127 WeakPolarHBondContact CA-O 3.4Å; R2124-R2127 CarbonylContact O-C 3.44Å; R2127-M2130 HydrophobicContact CB-CG 3.89Å; R2127-M2130 HydrophobicContact CB-SD 4.3Å; R2127-M2130 HydrophobicContact CG-CG 4.36Å; R2127-M2130 HydrophobicContact CG-SD 4.43Å; R2127-M2130 WeakPolarHBondContact O-CG 3.37Å |
| 2128 | P | 90.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 26.7 Ų | 26.7 | 7% | 0.065 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 153.4 | -176.5 | 28.6 | -38.4 | 0 | 0 | 0 | 111.9 | F1905 V1923 Y1925 V2092 M2130 | F1905-P2128 HydrophobicContact CE1-CG 3.9Å; F1905-P2128 HydrophobicContact CZ-CB 4.38Å; F1905-P2128 HydrophobicContact CZ-CG 4.21Å; V1923-P2128 VanDerWaalsContact O-CD 3.31Å; V1923-P2128 WeakPolarHBondContact O-CD 3.34Å; V1923-P2128 VanDerWaalsContact O-CG 3.23Å; V1923-P2128 WeakPolarHBondContact O-CG 3.28Å; Y1925-P2128 HydrophobicContact CE1-CB 4.38Å; Y1925-P2128 HydrophobicContact CE1-CG 4.4Å; V2092-P2128 VanDerWaalsContact CG1-O 3.25Å; V2092-P2128 WeakPolarHBondContact CG1-O 3.32Å; P2128-M2130 PolarHBondContact O-N 2.88Å; P2128-M2130 VanDerWaalsContact O-N 3.1Å |
| 2129 | N | 90.9 | Very high | 93.7 | Very high | 65 Ų | 65 | 26.5 Ų | 26.5 | 35% | 0.348 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 16.9 | 171.2 | -51.8 | -37.5 | 0 | 0 | 0 | 116 | V2092 V2131 | V2092-N2129 WeakPolarHBondContact CB-O 3.39Å; V2092-N2129 HydrophobicContact CG2-CB 4.22Å; N2129-V2131 PolarHBondContact O-N 3.26Å |
| 2130 | M | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -58.4 | 130.1 | 171.4 | -70.7 | -75.7 | -82.3 | 0 | 0 | 110.2 | I1949 A1960 V2092 I2099 L2123 R2124 R2127 P2128 | I1949-M2130 HydrophobicContact CD1-CE 4.2Å; I1949-M2130 HydrophobicContact CG1-CE 4.35Å; A1960-M2130 HydrophobicContact CB-CE 4.2Å; A1960-M2130 HydrophobicContact CB-SD 4.35Å; V2092-M2130 HydrophobicContact CB-SD 4.32Å; V2092-M2130 HydrophobicContact CG1-SD 4.33Å; V2092-M2130 WeakPolarHBondContact O-CA 3.44Å; I2099-M2130 HydrophobicContact CD1-CE 4.15Å; L2123-M2130 HydrophobicContact CB-CB 3.78Å; L2123-M2130 HydrophobicContact CB-CE 4.17Å; L2123-M2130 HydrophobicContact CB-CG 4.19Å; L2123-M2130 HydrophobicContact CD2-CE 3.97Å; L2123-M2130 HydrophobicContact CG-CE 4.45Å; R2124-M2130 HydrophobicContact CG-CB 4.17Å; R2124-M2130 WeakPolarHBondContact CG-O 3.3Å; R2124-M2130 PolarHBondContact NE-O 2.83Å; R2127-M2130 HydrophobicContact CB-CG 3.89Å; R2127-M2130 HydrophobicContact CB-SD 4.3Å; R2127-M2130 HydrophobicContact CG-CG 4.36Å; R2127-M2130 HydrophobicContact CG-SD 4.43Å; R2127-M2130 WeakPolarHBondContact O-CG 3.37Å; P2128-M2130 PolarHBondContact O-N 2.88Å; P2128-M2130 VanDerWaalsContact O-N 3.1Å |
| 2131 | V | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 58.8 | 95.7 | -164.2 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | V2092 V2097 A2100 V2120 R2124 N2129 Q2136 L2140 | V2092-V2131 PolarHBondContact O-N 2.84Å; V2097-V2131 HydrophobicContact CG2-CG1 4.5Å; V2097-V2131 HydrophobicContact CG2-CG2 4.43Å; A2100-V2131 HydrophobicContact CB-CG2 4.32Å; V2120-V2131 HydrophobicContact CG1-CB 3.97Å; V2120-V2131 HydrophobicContact CG1-CG2 4.16Å; V2120-V2131 HydrophobicContact CG2-CB 4.35Å; V2120-V2131 HydrophobicContact CG2-CG2 3.85Å; R2124-V2131 PolarHBondContact NH2-O 3.05Å; N2129-V2131 PolarHBondContact O-N 3.26Å; V2131-Q2136 HydrophobicContact CG1-CB 3.74Å; V2131-L2140 HydrophobicContact CG1-CD1 4.21Å; V2131-L2140 HydrophobicContact CG2-CD1 3.88Å |
| 2132 | Q | 93.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 30 Ų | 30 | 42% | 0.421 | 15% | 0.153 | S | C | . | . | trans | -93.7 | -14.3 | -156.8 | -169.2 | 173.2 | -0.4 | 0 | 0 | 114.8 | ||||
| 2133 | S | 94.5 | Very high | 93.8 | Very high | 34 Ų | 34 | 29 Ų | 29 | 24% | 0.238 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -140.7 | 160.8 | 178 | 64.1 | 0 | 0 | 0 | 0 | 112 | F1892 D2135 Q2136 Y2137 | F1892-S2133 VanDerWaalsContact CZ-CA 3.48Å; S2133-D2135 VanDerWaalsContact C-N 3.3Å; S2133-D2135 PolarHBondContact O-N 3.25Å; S2133-Q2136 WeakPolarHBondContact O-CB 3.33Å; S2133-Q2136 PolarHBondContact O-N 2.8Å; S2133-Q2136 WeakPolarHBondContact OG-CG 3.35Å; S2133-Q2136 PolarHBondContact OG-NE2 3.29Å; S2133-Y2137 PolarHBondContact O-N 3.24Å |
| 2134 | E | 93.9 | Very high | 93.7 | Very high | 72 Ų | 72 | 29 Ų | 29 | 34% | 0.336 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -56.8 | -42.5 | 175.3 | -169.7 | -172.5 | 157.8 | 0 | 0 | 111.7 | F1892 Q2136 Y2137 H2138 | F1892-E2134 HydrophobicContact CB-CG 4.39Å; F1892-E2134 HydrophobicContact CD1-CB 3.96Å; F1892-E2134 HydrophobicContact CE1-CB 4.44Å; F1892-E2134 HydrophobicContact CG-CB 4.22Å; E2134-Q2136 PolarHBondContact O-N 2.86Å; E2134-Q2136 VanDerWaalsContact O-N 3.1Å; E2134-Y2137 CarbonylContact O-C 3.51Å; E2134-Y2137 WeakPolarHBondContact O-CA 3.38Å; E2134-Y2137 WeakPolarHBondContact O-CB 3.47Å; E2134-Y2137 PolarHBondContact O-N 2.8Å; E2134-H2138 PolarHBondContact O-N 2.88Å |
| 2135 | D | 94.2 | Very high | 93.4 | Very high | 93 Ų | 93 | 30.8 Ų | 30.8 | 50% | 0.497 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -50.3 | -39.2 | 172.7 | -59 | -50.2 | 0 | 0 | 0 | 112.7 | V2057 S2133 F2139 | V2057-D2135 HydrophobicContact CG1-CB 3.97Å; V2057-D2135 HydrophobicContact CG2-CB 4.45Å; S2133-D2135 VanDerWaalsContact C-N 3.3Å; S2133-D2135 PolarHBondContact O-N 3.25Å; D2135-F2139 WeakPolarHBondContact O-CB 3.34Å; D2135-F2139 PolarHBondContact O-N 2.84Å |
| 2136 | Q | 96.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.4 | -27.9 | -179.4 | -68.1 | 168.8 | 34.2 | 0 | 0 | 111.8 | V2057 G2093 V2097 V2131 S2133 E2134 L2140 | V2057-Q2136 HydrophobicContact CG1-CG 3.95Å; G2093-Q2136 VanDerWaalsContact C-OE1 3.23Å; G2093-Q2136 PolarHBondContact O-OE1 3.32Å; V2097-Q2136 HydrophobicContact CG2-CB 3.65Å; V2097-Q2136 HydrophobicContact CG2-CG 4.03Å; V2131-Q2136 HydrophobicContact CG1-CB 3.74Å; S2133-Q2136 WeakPolarHBondContact O-CB 3.33Å; S2133-Q2136 PolarHBondContact O-N 2.8Å; S2133-Q2136 WeakPolarHBondContact OG-CG 3.35Å; S2133-Q2136 PolarHBondContact OG-NE2 3.29Å; E2134-Q2136 PolarHBondContact O-N 2.86Å; E2134-Q2136 VanDerWaalsContact O-N 3.1Å; Q2136-L2140 WeakPolarHBondContact O-CG 3.5Å; Q2136-L2140 PolarHBondContact O-N 2.87Å |
| 2137 | Y | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78.2 | -43.7 | 175.5 | -170.8 | -108.8 | 0 | 0 | 0 | 111.8 | M1888 E1891 F1892 L1895 I2116 F2117 V2120 S2133 E2134 L2140 H2141 | M1888-Y2137 HydrophobicContact CE-CD1 4.12Å; M1888-Y2137 HydrophobicContact CE-CE1 3.9Å; M1888-Y2137 HydrophobicContact CG-CD1 4.39Å; M1888-Y2137 HydrophobicContact SD-CD1 4.22Å; E1891-Y2137 HydrophobicContact CB-CE1 3.79Å; E1891-Y2137 WeakPolarHBondContact OE2-CE1 3.43Å; E1891-Y2137 PolarHBondContact OE2-OH 2.93Å; F1892-Y2137 HydrophobicContact CB-CD1 4.12Å; F1892-Y2137 HydrophobicContact CB-CG 4.46Å; F1892-Y2137 HydrophobicContact CD2-CD1 4.38Å; F1892-Y2137 HydrophobicContact CD2-CD2 4.32Å; F1892-Y2137 AromaticContact CD2-CG 3.88Å; F1892-Y2137 HydrophobicContact CD2-CG 3.88Å; L1895-Y2137 HydrophobicContact CD1-CD2 3.87Å; L1895-Y2137 HydrophobicContact CD1-CE2 3.29Å; I2116-Y2137 HydrophobicContact CG2-CD2 4.12Å; I2116-Y2137 HydrophobicContact CG2-CE2 3.65Å; F2117-Y2137 WeakPolarHBondContact CA-OH 3.27Å; F2117-Y2137 WeakPolarHBondContact CB-OH 3.44Å; F2117-Y2137 PolarHBondContact N-OH 2.92Å; V2120-Y2137 HydrophobicContact CB-CE2 4.36Å; V2120-Y2137 HydrophobicContact CG2-CD2 4.16Å; V2120-Y2137 HydrophobicContact CG2-CE2 4.13Å; S2133-Y2137 PolarHBondContact O-N 3.24Å; E2134-Y2137 CarbonylContact O-C 3.51Å; E2134-Y2137 WeakPolarHBondContact O-CA 3.38Å; E2134-Y2137 WeakPolarHBondContact O-CB 3.47Å; E2134-Y2137 PolarHBondContact O-N 2.8Å; Y2137-L2140 WeakPolarHBondContact O-CB 3.46Å; Y2137-L2140 PolarHBondContact O-N 2.88Å; Y2137-H2141 AromaticContact CE1-CE1 3.57Å; Y2137-H2141 AromaticContact CZ-CE1 3.63Å; Y2137-H2141 PolarHBondContact O-N 2.72Å; Y2137-H2141 PolarHBondContact O-ND1 3.23Å |
| 2138 | H | 94.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 33% | 0.329 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.2 | -39 | 171 | 176.8 | -146.9 | 0 | 0 | 0 | 111.9 | M1888 E2134 L2140 H2141 K2142 | M1888-H2138 HydrophobicContact CG-CB 4.16Å; M1888-H2138 VanDerWaalsContact SD-CA 3.52Å; M1888-H2138 HydrophobicContact SD-CB 3.67Å; E2134-H2138 PolarHBondContact O-N 2.88Å; H2138-L2140 VanDerWaalsContact C-N 3.26Å; H2138-L2140 PolarHBondContact O-N 3.35Å; H2138-H2141 WeakPolarHBondContact O-CB 3.39Å; H2138-H2141 PolarHBondContact O-N 2.72Å; H2138-H2141 VanDerWaalsContact O-N 3.14Å; H2138-K2142 PolarHBondContact O-N 2.91Å |
| 2139 | F | 95.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -31.3 | 173.8 | 179.3 | -94.8 | 0 | 0 | 0 | 113.1 | V2057 P2058 L2064 V2097 D2135 A2143 | V2057-F2139 HydrophobicContact CB-CB 4.2Å; V2057-F2139 HydrophobicContact CB-CD2 4.04Å; V2057-F2139 HydrophobicContact CB-CG 4.14Å; V2057-F2139 HydrophobicContact CG1-CB 4.18Å; V2057-F2139 HydrophobicContact CG1-CG 4.46Å; V2057-F2139 HydrophobicContact CG2-CB 4.2Å; V2057-F2139 HydrophobicContact CG2-CD2 4.13Å; V2057-F2139 HydrophobicContact CG2-CG 4.42Å; P2058-F2139 HydrophobicContact CB-CE2 3.9Å; P2058-F2139 HydrophobicContact CB-CZ 4.08Å; P2058-F2139 HydrophobicContact CG-CE2 4.23Å; P2058-F2139 HydrophobicContact CG-CZ 4.05Å; P2058-F2139 WeakPolarHBondContact O-CE2 3.21Å; L2064-F2139 HydrophobicContact CD2-CE1 3.7Å; L2064-F2139 HydrophobicContact CD2-CZ 4.05Å; V2097-F2139 HydrophobicContact CG1-CD1 3.79Å; V2097-F2139 HydrophobicContact CG1-CE1 3.96Å; D2135-F2139 WeakPolarHBondContact O-CB 3.34Å; D2135-F2139 PolarHBondContact O-N 2.84Å; F2139-A2143 WeakPolarHBondContact O-CB 3.47Å; F2139-A2143 PolarHBondContact O-N 2.97Å |
| 2140 | L | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 172.9 | -73.3 | 168 | 0 | 0 | 0 | 112.2 | V2097 A2100 L2101 I2116 V2120 V2131 Q2136 Y2137 H2138 A2143 A2144 | V2097-L2140 HydrophobicContact CG1-CD2 3.97Å; V2097-L2140 HydrophobicContact CG1-CG 4.39Å; A2100-L2140 HydrophobicContact CB-CD1 3.67Å; A2100-L2140 HydrophobicContact CB-CD2 3.85Å; A2100-L2140 HydrophobicContact CB-CG 4.45Å; L2101-L2140 HydrophobicContact CB-CD2 3.71Å; L2101-L2140 HydrophobicContact CD1-CD2 4.4Å; I2116-L2140 HydrophobicContact CD1-CB 4.33Å; I2116-L2140 HydrophobicContact CG2-CB 3.93Å; I2116-L2140 HydrophobicContact CG2-CD1 4.12Å; V2120-L2140 HydrophobicContact CG2-CD1 3.89Å; V2131-L2140 HydrophobicContact CG1-CD1 4.21Å; V2131-L2140 HydrophobicContact CG2-CD1 3.88Å; Q2136-L2140 WeakPolarHBondContact O-CG 3.5Å; Q2136-L2140 PolarHBondContact O-N 2.87Å; Y2137-L2140 WeakPolarHBondContact O-CB 3.46Å; Y2137-L2140 PolarHBondContact O-N 2.88Å; H2138-L2140 VanDerWaalsContact C-N 3.26Å; H2138-L2140 PolarHBondContact O-N 3.35Å; L2140-A2143 PolarHBondContact O-N 2.69Å; L2140-A2144 WeakPolarHBondContact O-CB 3.16Å; L2140-A2144 PolarHBondContact O-N 2.87Å |
| 2141 | H | 93.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -46 | 175.4 | -73.5 | 86.7 | 0 | 0 | 0 | 111.6 | I1873 M1888 I2116 Y2137 H2138 A2143 A2144 M2145 | I1873-H2141 HydrophobicContact CD1-CB 3.81Å; I1873-H2141 HydrophobicContact CG1-CB 4.04Å; M1888-H2141 VanDerWaalsContact CE-CE1 3.47Å; M1888-H2141 WeakPolarHBondContact CE-CE1 3.45Å; M1888-H2141 WeakPolarHBondContact CE-ND1 3.3Å; I2116-H2141 HydrophobicContact CD1-CB 4.26Å; I2116-H2141 VanDerWaalsContact CG2-CE1 3.46Å; I2116-H2141 WeakPolarHBondContact CG2-CE1 3.2Å; Y2137-H2141 AromaticContact CE1-CE1 3.57Å; Y2137-H2141 AromaticContact CZ-CE1 3.63Å; Y2137-H2141 PolarHBondContact O-N 2.72Å; Y2137-H2141 PolarHBondContact O-ND1 3.23Å; H2138-H2141 WeakPolarHBondContact O-CB 3.39Å; H2138-H2141 PolarHBondContact O-N 2.72Å; H2138-H2141 VanDerWaalsContact O-N 3.14Å; H2141-A2143 PolarHBondContact O-N 3.3Å; H2141-A2144 PolarHBondContact O-N 3.15Å; H2141-M2145 PolarHBondContact O-N 3.43Å; H2141-M2145 VanDerWaalsContact O-N 3.14Å |
| 2142 | K | 91.4 | Very high | 87.2 | Confident | 78 Ų | 78 | 48 Ų | 48 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 173.7 | 179.5 | 171.1 | 176.5 | 172.1 | 0 | 112.1 | K2059 H2138 A2144 M2145 E2146 | K2059-K2142 PolarHBondContact O-NZ 3.29Å; H2138-K2142 PolarHBondContact O-N 2.91Å; K2142-A2144 PolarHBondContact O-N 2.85Å; K2142-M2145 PolarHBondContact O-N 2.8Å; K2142-E2146 VanDerWaalsContact CE-CD 3.48Å; K2142-E2146 WeakPolarHBondContact CE-OE1 3.49Å; K2142-E2146 HydrophobicContact CG-CG 4.39Å; K2142-E2146 IonicContact NZ-OE1 2.66Å; K2142-E2146 WeakPolarHBondContact O-CG 3.26Å; K2142-E2146 PolarHBondContact O-N 2.91Å |
| 2143 | A | 92.9 | Very high | 85 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S2061 L2101 F2139 L2140 H2141 Y2147 | S2061-A2143 VanDerWaalsContact CB-CB 3.43Å; S2061-A2143 WeakPolarHBondContact OG-CA 3.36Å; L2101-A2143 HydrophobicContact CD1-CB 3.64Å; L2101-A2143 HydrophobicContact CD2-CB 3.8Å; L2101-A2143 HydrophobicContact CG-CB 4.41Å; F2139-A2143 WeakPolarHBondContact O-CB 3.47Å; F2139-A2143 PolarHBondContact O-N 2.97Å; L2140-A2143 PolarHBondContact O-N 2.69Å; H2141-A2143 PolarHBondContact O-N 3.3Å; A2143-Y2147 WeakPolarHBondContact O-CB 3.45Å; A2143-Y2147 PolarHBondContact O-N 2.95Å |
| 2144 | A | 91.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1869 V2104 I2108 V2114 I2116 L2140 H2141 K2142 L2148 | L1869-A2144 HydrophobicContact CD2-CB 3.9Å; V2104-A2144 HydrophobicContact CG1-CB 4.05Å; I2108-A2144 HydrophobicContact CD1-CB 4.07Å; V2114-A2144 HydrophobicContact CG1-CB 4.5Å; I2116-A2144 HydrophobicContact CD1-CB 4.25Å; L2140-A2144 WeakPolarHBondContact O-CB 3.16Å; L2140-A2144 PolarHBondContact O-N 2.87Å; H2141-A2144 PolarHBondContact O-N 3.15Å; K2142-A2144 PolarHBondContact O-N 2.85Å; A2144-L2148 WeakPolarHBondContact O-CG 3.45Å; A2144-L2148 PolarHBondContact O-N 3.23Å; A2144-L2148 VanDerWaalsContact O-N 3.11Å |
| 2145 | M | 88.2 | Confident | 79.8 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 175.3 | -80.3 | -64.9 | -61.6 | 0 | 0 | 113.5 | L1869 M1870 I1873 H2141 K2142 Y2147 L2148 G2149 | L1869-M2145 HydrophobicContact CB-SD 4.04Å; L1869-M2145 HydrophobicContact CD2-CG 4.03Å; L1869-M2145 HydrophobicContact CD2-SD 3.84Å; L1869-M2145 HydrophobicContact CG-CG 4.21Å; L1869-M2145 HydrophobicContact CG-SD 3.8Å; M1870-M2145 HydrophobicContact CB-CE 3.64Å; M1870-M2145 HydrophobicContact CB-SD 4.1Å; M1870-M2145 HydrophobicContact CG-CE 3.71Å; M1870-M2145 HydrophobicContact SD-CE 3.92Å; I1873-M2145 HydrophobicContact CD1-CG 3.37Å; I1873-M2145 HydrophobicContact CD1-SD 4.29Å; H2141-M2145 PolarHBondContact O-N 3.43Å; H2141-M2145 VanDerWaalsContact O-N 3.14Å; K2142-M2145 PolarHBondContact O-N 2.8Å; M2145-Y2147 VanDerWaalsContact C-N 3.34Å; M2145-Y2147 PolarHBondContact O-N 2.84Å; M2145-L2148 PolarHBondContact O-N 3.09Å; M2145-G2149 PolarHBondContact O-N 2.99Å; M2145-G2149 VanDerWaalsContact O-N 3.08Å |
| 2146 | E | 86.6 | Confident | 76.9 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 177.1 | -74 | 177.3 | 160.9 | 0 | 0 | 111.2 | S2061 K2142 G2149 | S2061-E2146 VanDerWaalsContact CB-OE2 3.23Å; S2061-E2146 WeakPolarHBondContact CB-OE2 3.45Å; S2061-E2146 PolarHBondContact N-OE2 2.93Å; S2061-E2146 WeakPolarHBondContact OG-CB 3.36Å; S2061-E2146 PolarHBondContact OG-OE2 2.89Å; K2142-E2146 VanDerWaalsContact CE-CD 3.48Å; K2142-E2146 WeakPolarHBondContact CE-OE1 3.49Å; K2142-E2146 HydrophobicContact CG-CG 4.39Å; K2142-E2146 IonicContact NZ-OE1 2.66Å; K2142-E2146 WeakPolarHBondContact O-CG 3.26Å; K2142-E2146 PolarHBondContact O-N 2.91Å; E2146-G2149 PolarHBondContact O-N 2.88Å |
| 2147 | Y | 87.3 | Confident | 73.9 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.1 | -176.3 | -123.8 | 0 | 0 | 0 | 112.8 | V2065 L2105 I2108 A2143 M2145 G2149 S2150 F2151 | V2065-Y2147 HydrophobicContact CG1-CD2 3.72Å; V2065-Y2147 HydrophobicContact CG1-CE2 4.1Å; L2105-Y2147 HydrophobicContact CB-CE1 4.17Å; L2105-Y2147 HydrophobicContact CD2-CD1 3.17Å; L2105-Y2147 HydrophobicContact CD2-CD2 3.74Å; L2105-Y2147 HydrophobicContact CD2-CE1 3.55Å; L2105-Y2147 HydrophobicContact CD2-CE2 4.08Å; L2105-Y2147 HydrophobicContact CD2-CG 3.24Å; L2105-Y2147 HydrophobicContact CG-CD1 4.42Å; L2105-Y2147 HydrophobicContact CG-CE1 4.44Å; I2108-Y2147 HydrophobicContact CD1-CD1 4.14Å; I2108-Y2147 HydrophobicContact CG2-CD1 4.12Å; I2108-Y2147 HydrophobicContact CG2-CE1 4.15Å; A2143-Y2147 WeakPolarHBondContact O-CB 3.45Å; A2143-Y2147 PolarHBondContact O-N 2.95Å; M2145-Y2147 VanDerWaalsContact C-N 3.34Å; M2145-Y2147 PolarHBondContact O-N 2.84Å; Y2147-G2149 PolarHBondContact O-N 3.49Å; Y2147-S2150 WeakPolarHBondContact O-CB 3.36Å; Y2147-S2150 PolarHBondContact O-N 3.1Å; Y2147-S2150 PolarHBondContact O-OG 3.15Å; Y2147-F2151 AromaticContact CD1-CE2 3.88Å; Y2147-F2151 HydrophobicContact CD1-CE2 3.88Å; Y2147-F2151 HydrophobicContact CD2-CE2 4.06Å; Y2147-F2151 AromaticContact CE1-CE2 3.56Å; Y2147-F2151 HydrophobicContact CE1-CE2 3.56Å; Y2147-F2151 AromaticContact CE1-CZ 3.98Å; Y2147-F2151 HydrophobicContact CE1-CZ 3.98Å; Y2147-F2151 AromaticContact CE2-CE2 3.74Å; Y2147-F2151 HydrophobicContact CE2-CE2 3.74Å; Y2147-F2151 HydrophobicContact CE2-CZ 4.08Å; Y2147-F2151 HydrophobicContact CG-CE2 4.16Å; Y2147-F2151 AromaticContact CZ-CE2 3.5Å; Y2147-F2151 VanDerWaalsContact CZ-CE2 3.5Å; Y2147-F2151 AromaticContact CZ-CZ 3.63Å; Y2147-F2151 WeakPolarHBondContact O-CD2 3.46Å |
| 2148 | L | 82.8 | Confident | 70.9 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -35.3 | 174.8 | -74.1 | 171.7 | 0 | 0 | 0 | 112.2 | V1866 L1869 I2108 A2144 M2145 S2150 F2151 L2154 | V1866-L2148 HydrophobicContact CB-CD1 4.45Å; V1866-L2148 HydrophobicContact CB-CD2 4.33Å; V1866-L2148 HydrophobicContact CG1-CD1 3.88Å; V1866-L2148 HydrophobicContact CG1-CD2 3.43Å; V1866-L2148 VanDerWaalsContact CG1-CD2 3.43Å; V1866-L2148 HydrophobicContact CG1-CG 4.3Å; V1866-L2148 HydrophobicContact CG2-CD1 4.23Å; V1866-L2148 HydrophobicContact CG2-CD2 3.94Å; L1869-L2148 HydrophobicContact CB-CD1 4.43Å; L1869-L2148 HydrophobicContact CD2-CD1 3.63Å; I2108-L2148 HydrophobicContact CG2-CD2 3.59Å; I2108-L2148 HydrophobicContact CG2-CG 4.43Å; A2144-L2148 WeakPolarHBondContact O-CG 3.45Å; A2144-L2148 PolarHBondContact O-N 3.23Å; A2144-L2148 VanDerWaalsContact O-N 3.11Å; M2145-L2148 PolarHBondContact O-N 3.09Å; L2148-S2150 PolarHBondContact O-N 2.68Å; L2148-S2150 VanDerWaalsContact O-N 3.1Å; L2148-F2151 PolarHBondContact O-N 3.14Å; L2148-L2154 HydrophobicContact CD2-CD1 4.42Å |
| 2149 | G | 74.2 | Confident | 67.8 | Low | 65 Ų | 65 | 67.2 Ų | 67.2 | 67% | 0.67 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -11.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M2145 E2146 Y2147 | M2145-G2149 PolarHBondContact O-N 2.99Å; M2145-G2149 VanDerWaalsContact O-N 3.08Å; E2146-G2149 PolarHBondContact O-N 2.88Å; Y2147-G2149 PolarHBondContact O-N 3.49Å |
| 2150 | S | 71.9 | Confident | 66.4 | Low | 79 Ų | 79 | 70.4 Ų | 70.4 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.8 | 173.6 | 74.5 | 0 | 0 | 0 | 0 | 114.4 | Y2147 L2148 | Y2147-S2150 WeakPolarHBondContact O-CB 3.36Å; Y2147-S2150 PolarHBondContact O-N 3.1Å; Y2147-S2150 PolarHBondContact O-OG 3.15Å; L2148-S2150 PolarHBondContact O-N 2.68Å; L2148-S2150 VanDerWaalsContact O-N 3.1Å |
| 2151 | F | 64.8 | Low | 64.8 | Low | 74 Ų | 74 | 74.1 Ų | 74.1 | 33% | 0.325 | 41% | 0.411 | S | S | . | . | trans | -108.2 | 82.5 | -179 | -67.5 | -90.2 | 0 | 0 | 0 | 112.6 | Y2147 L2148 H2153 L2154 | Y2147-F2151 AromaticContact CD1-CE2 3.88Å; Y2147-F2151 HydrophobicContact CD1-CE2 3.88Å; Y2147-F2151 HydrophobicContact CD2-CE2 4.06Å; Y2147-F2151 AromaticContact CE1-CE2 3.56Å; Y2147-F2151 HydrophobicContact CE1-CE2 3.56Å; Y2147-F2151 AromaticContact CE1-CZ 3.98Å; Y2147-F2151 HydrophobicContact CE1-CZ 3.98Å; Y2147-F2151 AromaticContact CE2-CE2 3.74Å; Y2147-F2151 HydrophobicContact CE2-CE2 3.74Å; Y2147-F2151 HydrophobicContact CE2-CZ 4.08Å; Y2147-F2151 HydrophobicContact CG-CE2 4.16Å; Y2147-F2151 AromaticContact CZ-CE2 3.5Å; Y2147-F2151 VanDerWaalsContact CZ-CE2 3.5Å; Y2147-F2151 AromaticContact CZ-CZ 3.63Å; Y2147-F2151 WeakPolarHBondContact O-CD2 3.46Å; L2148-F2151 PolarHBondContact O-N 3.14Å; F2151-H2153 PolarHBondContact O-N 2.61Å; F2151-L2154 HydrophobicContact CB-CD1 3.78Å; F2151-L2154 HydrophobicContact CB-CG 3.94Å; F2151-L2154 HydrophobicContact CD1-CD1 4.24Å; F2151-L2154 HydrophobicContact CD1-CG 4.22Å; F2151-L2154 HydrophobicContact CD2-CD1 4.35Å; F2151-L2154 HydrophobicContact CG-CD1 3.89Å; F2151-L2154 HydrophobicContact CG-CG 4.22Å | ||
| 2152 | D | 49.5 | Very low | 63.1 | Low | 146 Ų | 146 | 78.1 Ų | 78.1 | 78% | 0.781 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -3.5 | 171.9 | -77 | -38.1 | 0 | 0 | 0 | 114.4 | ||
| 2153 | H | 46.4 | Very low | 61.5 | Low | 154 Ų | 154 | 78.1 Ų | 78.1 | 71% | 0.713 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.4 | 7.9 | -159.4 | -53.9 | -23.3 | 0 | 0 | 0 | 116.2 | F2151 Q2155 | F2151-H2153 PolarHBondContact O-N 2.61Å; H2153-Q2155 PolarHBondContact O-N 3.1Å |
| 2154 | L | 43.2 | Very low | 59.5 | Low | 65 Ų | 65 | 82.9 Ų | 82.9 | 34% | 0.34 | 47% | 0.467 | S | S | . | . | trans | -70.3 | 90.4 | 174.6 | -81.1 | 169.4 | 0 | 0 | 0 | 110.3 | L2148 F2151 | L2148-L2154 HydrophobicContact CD2-CD1 4.42Å; F2151-L2154 HydrophobicContact CB-CD1 3.78Å; F2151-L2154 HydrophobicContact CB-CG 3.94Å; F2151-L2154 HydrophobicContact CD1-CD1 4.24Å; F2151-L2154 HydrophobicContact CD1-CG 4.22Å; F2151-L2154 HydrophobicContact CD2-CD1 4.35Å; F2151-L2154 HydrophobicContact CG-CD1 3.89Å; F2151-L2154 HydrophobicContact CG-CG 4.22Å | ||
| 2155 | Q | 35.7 | Very low | 57.4 | Low | 119 Ų | 119 | 88.5 Ų | 88.5 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | trans | -67 | 138.7 | 176.5 | -68.4 | -167.1 | -17.1 | 0 | 0 | 110.7 | H2153 S2157 Q2158 C2159 | H2153-Q2155 PolarHBondContact O-N 3.1Å; Q2155-S2157 PolarHBondContact O-N 3.06Å; Q2155-Q2158 PolarHBondContact O-N 2.94Å; Q2155-C2159 PolarHBondContact O-N 2.73Å | ||
| 2156 | P | 33.7 | Very low | 55.2 | Low | 127 Ų | 127 | 91 Ų | 91 | 83% | 0.825 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 40.6 | 169.5 | -21.2 | 34.9 | 0 | 0 | 0 | 115 | C2159 | P2156-C2159 WeakPolarHBondContact CA-OXT 3.47Š|
| 2157 | S | 33.8 | Very low | 52.8 | Low | 90 Ų | 90 | 94 Ų | 94 | 63% | 0.629 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.7 | -4.8 | 173.1 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | Q2155 C2159 | Q2155-S2157 PolarHBondContact O-N 3.06Å; S2157-C2159 PolarHBondContact N-OXT 2.67Å |
| 2158 | Q | 33.7 | Very low | 49.9 | Very low | 150 Ų | 150 | 98.3 Ų | 98.3 | 70% | 0.701 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -15.6 | 166 | -62.4 | -174.5 | -5.3 | 0 | 0 | 111.6 | Q2155 | Q2155-Q2158 PolarHBondContact O-N 2.94Š|
| 2159 | C | 29.1 | Very low | 46.9 | Very low | 84 Ų | 84 | 104.8 Ų | 104.8 | 57% | 0.568 | 61% | 0.605 | S | S | * | * | trans | -114.7 | 0 | 154.7 | -59.3 | 0 | 0 | 0 | 0 | 107.9 | C2112 Q2155 P2156 S2157 | C2112-C2159 HydrophobicContact CB-CB 3.48Å; C2112-C2159 VanDerWaalsContact CB-CB 3.48Å; C2112-C2159 WeakPolarHBondContact CB-SG 3.44Å; C2112-C2159 VanDerWaalsContact SG-CA 3.54Å; C2112-C2159 WeakPolarHBondContact SG-CB 3.29Å; C2112-C2159 CovalentContact SG-SG 2.03Å; C2112-C2159 PolarHBondContact SG-SG 2.79Å; Q2155-C2159 PolarHBondContact O-N 2.73Å; P2156-C2159 WeakPolarHBondContact CA-OXT 3.47Å; S2157-C2159 PolarHBondContact N-OXT 2.67Å |
Retrieved 2,159 of 2,159 residues in 2161.2 ms
(Link to these results)