| 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 | 67.9 | Low | 87.2 | Confident | 226 Ų | 226 | 105.8 Ų | 105.8 | 100% | 1.113 | 61% | 0.612 | S | S | * | * | 0 | 129.9 | 0 | -124.6 | 150.2 | 80.2 | 0 | 0 | 107 | |||||
| 2 | P | 83.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 104.7 Ų | 104.7 | 51% | 0.506 | 60% | 0.596 | S | S | . | * | trans | -61.8 | 138.6 | 174.6 | 24.6 | -31 | 0 | 0 | 0 | 109.8 | A11 Q12 N13 | P2-A11 HydrophobicContact CB-CB 4.29Å; P2-Q12 CarbonylContact C-O 3.56Å; P2-Q12 VanDerWaalsContact CA-O 3.24Å; P2-Q12 WeakPolarHBondContact CA-O 3.47Å; P2-N13 VanDerWaalsContact CA-OD1 3.23Å; P2-N13 WeakPolarHBondContact CA-OD1 3.25Å; P2-N13 VanDerWaalsContact CB-OD1 3.31Å; P2-N13 WeakPolarHBondContact CB-OD1 3.25Å | ||
| 3 | F | 90.3 | Very high | 87.4 | Confident | 133 Ų | 133 | 105.2 Ų | 105.2 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.5 | 172.1 | 168.2 | -100.8 | 0 | 0 | 0 | 109 | D5 A11 Q12 | F3-D5 HydrophobicContact CE1-CB 4.27Å; F3-A11 CarbonylContact O-C 3.51Å; F3-Q12 PolarHBondContact N-O 2.83Å; F3-Q12 PolarHBondContact O-N 2.92Å |
| 4 | L | 91.8 | Very high | 87.5 | Confident | 119 Ų | 119 | 108.6 Ų | 108.6 | 62% | 0.623 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 113.2 | 178.3 | -163.7 | 73.3 | 0 | 0 | 0 | 109.3 | S6 A11 | L4-S6 PolarHBondContact O-N 3.34Å; L4-A11 HydrophobicContact CD1-CB 4.1Å |
| 5 | D | 90.1 | Very high | 87.2 | Confident | 31 Ų | 31 | 106.3 Ų | 106.3 | 17% | 0.166 | 60% | 0.604 | C | S | . | * | trans | -78.2 | 118.3 | 175.4 | 176 | 2.1 | 0 | 0 | 0 | 110 | F3 Q7 T8 G9 V10 Q12 | F3-D5 HydrophobicContact CE1-CB 4.27Å; D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.09Å; D5-Q7 PolarHBondContact OD1-N 2.89Å; D5-T8 WeakPolarHBondContact CB-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.39Å; D5-T8 PolarHBondContact OD2-OG1 2.98Å; D5-G9 VanDerWaalsContact O-CA 3.3Å; D5-G9 WeakPolarHBondContact O-CA 3.33Å; D5-G9 PolarHBondContact O-N 3.18Å; D5-V10 PolarHBondContact N-O 3.14Å; D5-V10 VanDerWaalsContact N-O 3.09Å; D5-Q12 HydrophobicContact CB-CG 4.38Å; D5-Q12 PolarHBondContact OD2-NE2 2.89Å | ||
| 6 | S | 87.8 | Confident | 87 | Confident | 116 Ų | 116 | 108.4 Ų | 108.4 | 81% | 0.811 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -18.7 | -175 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | L4 | L4-S6 PolarHBondContact O-N 3.34Š|
| 7 | Q | 90 | Very high | 86.9 | Confident | 182 Ų | 182 | 108.8 Ų | 108.8 | 85% | 0.85 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -35.5 | 177.3 | -69.5 | -177.6 | 3.9 | 0 | 0 | 112.2 | D5 | D5-Q7 VanDerWaalsContact C-N 3.3Å; D5-Q7 PolarHBondContact O-N 3.09Å; D5-Q7 PolarHBondContact OD1-N 2.89Å |
| 8 | T | 88.9 | Confident | 87.1 | Confident | 82 Ų | 82 | 115.2 Ų | 115.2 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.5 | -14.2 | -176.2 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | D5 V10 | D5-T8 WeakPolarHBondContact CB-OG1 3.27Å; D5-T8 WeakPolarHBondContact OD2-CG2 3.39Å; D5-T8 PolarHBondContact OD2-OG1 2.98Å; T8-V10 PolarHBondContact O-N 3.02Å; T8-V10 VanDerWaalsContact O-N 3.16Å; T8-V10 PolarHBondContact OG1-N 3.39Å |
| 9 | G | 88.3 | Confident | 87.3 | Confident | 58 Ų | 58 | 113.5 Ų | 113.5 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | trans | 67.6 | 4.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D5 | D5-G9 VanDerWaalsContact O-CA 3.3Å; D5-G9 WeakPolarHBondContact O-CA 3.33Å; D5-G9 PolarHBondContact O-N 3.18Å | ||
| 10 | V | 90.5 | Very high | 87.5 | Confident | 80 Ų | 80 | 112.8 Ų | 112.8 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | trans | -85.7 | 127.2 | -176 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | D5 T8 Q12 | D5-V10 PolarHBondContact N-O 3.14Å; D5-V10 VanDerWaalsContact N-O 3.09Å; T8-V10 PolarHBondContact O-N 3.02Å; T8-V10 VanDerWaalsContact O-N 3.16Å; T8-V10 PolarHBondContact OG1-N 3.39Å; V10-Q12 HydrophobicContact CG1-CG 4.26Å; V10-Q12 PolarHBondContact O-N 2.9Å | ||
| 11 | A | 90.9 | Very high | 87.7 | Confident | 59 Ų | 59 | 115.9 Ų | 115.9 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.1 | 94.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P2 F3 L4 | P2-A11 HydrophobicContact CB-CB 4.29Å; F3-A11 CarbonylContact O-C 3.51Å; L4-A11 HydrophobicContact CD1-CB 4.1Å |
| 12 | Q | 88.3 | Confident | 89 | Confident | 92 Ų | 92 | 113.9 Ų | 113.9 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 134.8 | -178.2 | -64.5 | -175.7 | -15.3 | 0 | 0 | 111.3 | P2 F3 D5 V10 | P2-Q12 CarbonylContact C-O 3.56Å; P2-Q12 VanDerWaalsContact CA-O 3.24Å; P2-Q12 WeakPolarHBondContact CA-O 3.47Å; F3-Q12 PolarHBondContact N-O 2.83Å; F3-Q12 PolarHBondContact O-N 2.92Å; D5-Q12 HydrophobicContact CB-CG 4.38Å; D5-Q12 PolarHBondContact OD2-NE2 2.89Å; V10-Q12 HydrophobicContact CG1-CG 4.26Å; V10-Q12 PolarHBondContact O-N 2.9Å |
| 13 | N | 88.3 | Confident | 89.4 | Confident | 112 Ų | 112 | 113.2 Ų | 113.2 | 60% | 0.599 | 58% | 0.575 | S | S | * | * | trans | -116.1 | 178 | 169 | -84.2 | -40.5 | 0 | 0 | 0 | 109.7 | P2 C15 | P2-N13 VanDerWaalsContact CA-OD1 3.23Å; P2-N13 WeakPolarHBondContact CA-OD1 3.25Å; P2-N13 VanDerWaalsContact CB-OD1 3.31Å; P2-N13 WeakPolarHBondContact CB-OD1 3.25Å; N13-C15 PolarHBondContact O-N 3.33Å | ||
| 14 | N | 88.6 | Confident | 89.6 | Confident | 153 Ų | 153 | 111.8 Ų | 111.8 | 82% | 0.818 | 57% | 0.566 | S | S | * | * | trans | -49.8 | 115.8 | 172.4 | -74.2 | -19.6 | 0 | 0 | 0 | 110.6 | ||||
| 15 | C | 83 | Confident | 89.7 | Confident | 73 Ų | 73 | 113 Ų | 113 | 49% | 0.493 | 56% | 0.562 | S | S | . | * | trans | -109.6 | 148.9 | -178.8 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | N13 I17 | N13-C15 PolarHBondContact O-N 3.33Å; C15-I17 HydrophobicContact CB-CG1 4.48Å; C15-I17 HydrophobicContact CB-CG2 4.41Å | ||
| 16 | Y | 84.3 | Confident | 89.9 | Confident | 140 Ų | 140 | 116.8 Ų | 116.8 | 55% | 0.549 | 59% | 0.588 | S | S | . | * | trans | -105.7 | 24.5 | -178.3 | -63.6 | -87.7 | 0 | 0 | 0 | 112.1 | W18 R39 | Y16-W18 VanDerWaalsContact C-N 3.28Å; Y16-W18 PolarHBondContact O-N 3.48Å; Y16-R39 PolarHBondContact OH-NH2 3.01Å | ||
| 17 | I | 86 | Confident | 90.2 | Very high | 115 Ų | 115 | 112.6 Ų | 112.6 | 59% | 0.59 | 56% | 0.563 | S | S | * | * | trans | -69.5 | -28.3 | -178.8 | 63.8 | -179.2 | 0 | 0 | 0 | 112 | C15 M19 | C15-I17 HydrophobicContact CB-CG1 4.48Å; C15-I17 HydrophobicContact CB-CG2 4.41Å; I17-M19 PolarHBondContact O-N 3.35Å | ||
| 18 | W | 89.2 | Confident | 90.3 | Very high | 224 Ų | 224 | 111.3 Ų | 111.3 | 85% | 0.848 | 56% | 0.557 | S | S | * | * | trans | -86.1 | 94.1 | -178.4 | -57.7 | 109.7 | 0 | 0 | 0 | 110.4 | Y16 | Y16-W18 VanDerWaalsContact C-N 3.28Å; Y16-W18 PolarHBondContact O-N 3.48Å | ||
| 19 | M | 90.9 | Very high | 90.5 | Very high | 83 Ų | 83 | 110.2 Ų | 110.2 | 41% | 0.409 | 56% | 0.556 | S | S | . | * | trans | -107.2 | 128.8 | 178.6 | -66.6 | -179.9 | -76.1 | 0 | 0 | 111.3 | I17 Y36 | I17-M19 PolarHBondContact O-N 3.35Å; M19-Y36 HydrophobicContact CB-CD1 3.75Å; M19-Y36 HydrophobicContact CB-CE1 3.98Å; M19-Y36 HydrophobicContact CE-CD1 4.1Å; M19-Y36 HydrophobicContact CE-CD2 4.06Å; M19-Y36 HydrophobicContact CE-CG 3.69Å; M19-Y36 HydrophobicContact CG-CD1 4.39Å; M19-Y36 WeakPolarHBondContact SD-CB 3.41Å; M19-Y36 HydrophobicContact SD-CD1 3.81Å; M19-Y36 HydrophobicContact SD-CG 3.72Å | ||
| 20 | E | 92.3 | Very high | 90.7 | Very high | 99 Ų | 99 | 112.7 Ų | 112.7 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | trans | -69 | 158.2 | 177.7 | -63.4 | 177.8 | -147.8 | 0 | 0 | 113.3 | R22 H23 | E20-R22 HydrophobicContact CB-CG 4.03Å; E20-R22 PolarHBondContact O-N 3.43Å; E20-R22 VanDerWaalsContact O-N 3.13Å; E20-R22 IonicContact OE1-CZ 2.93Å; E20-R22 IonicContact OE1-NH2 3.77Å; E20-R22 PolarHBondContact OE1-NH2 3.41Å; E20-R22 WeakPolarHBondContact OE2-CD 3.31Å; E20-R22 IonicContact OE2-CZ 3.25Å; E20-R22 IonicContact OE2-NE 2.97Å; E20-R22 PolarHBondContact OE2-NE 3.19Å; E20-R22 VanDerWaalsContact OE2-NE 3.11Å; E20-R22 IonicContact OE2-NH1 3.25Å; E20-R22 PolarHBondContact OE2-NH1 3.27Å; E20-R22 IonicContact OE2-NH2 3.26Å; E20-R22 PolarHBondContact OE2-NH2 3.24Å; E20-H23 PolarHBondContact N-ND1 2.82Å; E20-H23 WeakPolarHBondContact O-CB 3.49Å; E20-H23 PolarHBondContact O-N 3.41Å | ||
| 21 | K | 91.9 | Very high | 90.9 | Very high | 178 Ų | 178 | 113 Ų | 113 | 77% | 0.774 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -55.8 | -31.8 | 177.8 | -170.7 | 177.7 | 179.2 | -177.9 | 0 | 113 | H23 R24 | K21-H23 PolarHBondContact O-N 2.82Å; K21-R24 WeakPolarHBondContact O-CB 3.49Å; K21-R24 PolarHBondContact O-N 2.98Å |
| 22 | R | 93.4 | Very high | 91.1 | Very high | 185 Ų | 185 | 114.2 Ų | 114.2 | 70% | 0.698 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -66.7 | -22.7 | 177 | 69.4 | 179.9 | -172.9 | -143.4 | -13.5 | 113.8 | E20 R24 | E20-R22 HydrophobicContact CB-CG 4.03Å; E20-R22 PolarHBondContact O-N 3.43Å; E20-R22 VanDerWaalsContact O-N 3.13Å; E20-R22 IonicContact OE1-CZ 2.93Å; E20-R22 IonicContact OE1-NH2 3.77Å; E20-R22 PolarHBondContact OE1-NH2 3.41Å; E20-R22 WeakPolarHBondContact OE2-CD 3.31Å; E20-R22 IonicContact OE2-CZ 3.25Å; E20-R22 IonicContact OE2-NE 2.97Å; E20-R22 PolarHBondContact OE2-NE 3.19Å; E20-R22 VanDerWaalsContact OE2-NE 3.11Å; E20-R22 IonicContact OE2-NH1 3.25Å; E20-R22 PolarHBondContact OE2-NH1 3.27Å; E20-R22 IonicContact OE2-NH2 3.26Å; E20-R22 PolarHBondContact OE2-NH2 3.24Å; R22-R24 VanDerWaalsContact C-N 3.29Å |
| 23 | H | 92.6 | Very high | 91.3 | Very high | 64 Ų | 64 | 117 Ų | 117 | 30% | 0.296 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -84.5 | -6 | 177.5 | -52.5 | 137.1 | 0 | 0 | 0 | 112.4 | E20 K21 R25 Y36 P37 | E20-H23 PolarHBondContact N-ND1 2.82Å; E20-H23 WeakPolarHBondContact O-CB 3.49Å; E20-H23 PolarHBondContact O-N 3.41Å; K21-H23 PolarHBondContact O-N 2.82Å; H23-R25 PolarHBondContact O-N 2.98Å; H23-Y36 HydrophobicContact CB-CD1 4.15Å; H23-P37 VanDerWaalsContact O-CD 3.32Å; H23-P37 WeakPolarHBondContact O-CD 3.29Å |
| 24 | R | 94.8 | Very high | 91.7 | Very high | 103 Ų | 103 | 116.9 Ų | 116.9 | 39% | 0.389 | 59% | 0.593 | S | S | . | * | trans | -74.9 | 116.6 | 178.8 | -173.8 | -176.8 | -80.9 | -164.3 | -0.4 | 110 | K21 R22 Y34 Y36 | K21-R24 WeakPolarHBondContact O-CB 3.49Å; K21-R24 PolarHBondContact O-N 2.98Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R24-Y34 HydrophobicContact CG-CD1 3.41Å; R24-Y34 VanDerWaalsContact CG-CD1 3.41Å; R24-Y34 HydrophobicContact CG-CD2 4.32Å; R24-Y34 HydrophobicContact CG-CE1 4.09Å; R24-Y34 HydrophobicContact CG-CG 3.53Å; R24-Y34 VanDerWaalsContact NH1-CE2 3.33Å; R24-Y36 HydrophobicContact CB-CE1 3.81Å; R24-Y36 HydrophobicContact CG-CE1 4.37Å; R24-Y36 PolarHBondContact NE-OH 3.09Å; R24-Y36 PolarHBondContact NH2-OH 3.13Å | ||
| 25 | R | 93.4 | Very high | 92 | Very high | 145 Ų | 145 | 110.5 Ų | 110.5 | 55% | 0.547 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 161.4 | 174.9 | -60.2 | -178.6 | 179.2 | -178.9 | -1.7 | 110.2 | H23 Y34 T35 | H23-R25 PolarHBondContact O-N 2.98Å; R25-Y34 CarbonylContact O-C 3.56Å; R25-Y34 VanDerWaalsContact O-CA 3.26Å; R25-Y34 WeakPolarHBondContact O-CA 3.44Å; R25-T35 WeakPolarHBondContact CA-O 3.27Å; R25-T35 WeakPolarHBondContact CB-O 3.36Å; R25-T35 PolarHBondContact N-O 2.81Å; R25-T35 PolarHBondContact O-N 3.47Å |
| 26 | P | 94.9 | Very high | 92.5 | Very high | 110 Ų | 110 | 110.3 Ų | 110.3 | 71% | 0.714 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 148.9 | 169.9 | -23.5 | 34.2 | 0 | 0 | 0 | 111.5 | T35 | P26-T35 PolarHBondContact O-OG1 3.4Å |
| 27 | G | 94.2 | Very high | 92.8 | Very high | 28 Ų | 28 | 106.5 Ų | 106.5 | 29% | 0.289 | 54% | 0.541 | S | S | . | . | trans | -63.4 | 138.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q32 M33 T35 | G27-Q32 WeakPolarHBondContact CA-O 3.41Å; G27-M33 PolarHBondContact N-O 3.14Å; G27-T35 WeakPolarHBondContact CA-OG1 3.41Å | ||
| 28 | Q | 91.9 | Very high | 92.9 | Very high | 155 Ų | 155 | 105.5 Ų | 105.5 | 72% | 0.724 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -92.9 | -23.5 | -179.3 | -64.5 | -179.6 | 18.6 | 0 | 0 | 113.3 | T35 | Q28-T35 HydrophobicContact CG-CG2 4.34Å; Q28-T35 PolarHBondContact N-OG1 3.2Å |
| 29 | A | 93.1 | Very high | 92.6 | Very high | 58 Ų | 58 | 102.5 Ų | 102.5 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -107.2 | 156 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G31 Q32 | A29-G31 PolarHBondContact O-N 3.31Å; A29-Q32 HydrophobicContact CB-CB 4.31Å; A29-Q32 VanDerWaalsContact O-CB 3.24Å; A29-Q32 WeakPolarHBondContact O-CB 3.26Å; A29-Q32 PolarHBondContact O-N 3.3Å |
| 30 | A | 92.6 | Very high | 92.2 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 92% | 0.917 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 129.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q32 | A30-Q32 VanDerWaalsContact C-N 3.27Å; A30-Q32 PolarHBondContact O-N 3.27Å |
| 31 | G | 93.9 | Very high | 91.7 | Very high | 86 Ų | 86 | 110.1 Ų | 110.1 | 89% | 0.887 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.8 | -5.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | A29 | A29-G31 PolarHBondContact O-N 3.31Š|
| 32 | Q | 95.3 | Very high | 91.4 | Very high | 84 Ų | 84 | 113 Ų | 113 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | trans | -83.4 | 121.8 | 174.7 | -171 | 173 | 6.2 | 0 | 0 | 110.3 | G27 A29 A30 Y34 T35 | G27-Q32 WeakPolarHBondContact CA-O 3.41Å; A29-Q32 HydrophobicContact CB-CB 4.31Å; A29-Q32 VanDerWaalsContact O-CB 3.24Å; A29-Q32 WeakPolarHBondContact O-CB 3.26Å; A29-Q32 PolarHBondContact O-N 3.3Å; A30-Q32 VanDerWaalsContact C-N 3.27Å; A30-Q32 PolarHBondContact O-N 3.27Å; Q32-Y34 VanDerWaalsContact CG-O 3.29Å; Q32-Y34 WeakPolarHBondContact CG-O 3.49Å; Q32-Y34 PolarHBondContact NE2-O 3.46Å; Q32-T35 VanDerWaalsContact CD-OG1 3.27Å; Q32-T35 PolarHBondContact NE2-OG1 2.87Å | ||
| 33 | M | 93.6 | Very high | 90.8 | Very high | 150 Ų | 150 | 111.5 Ų | 111.5 | 74% | 0.739 | 58% | 0.583 | S | S | * | * | trans | -77.3 | -39.9 | 177.3 | -66.2 | -168.3 | -70.4 | 0 | 0 | 112.5 | G27 | G27-M33 PolarHBondContact N-O 3.14Š| ||
| 34 | Y | 95.8 | Very high | 89.8 | Confident | 110 Ų | 110 | 117.9 Ų | 117.9 | 43% | 0.431 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.2 | 150.4 | -176.1 | -54.4 | -64 | 0 | 0 | 0 | 112.3 | R24 R25 Q32 | R24-Y34 HydrophobicContact CG-CD1 3.41Å; R24-Y34 VanDerWaalsContact CG-CD1 3.41Å; R24-Y34 HydrophobicContact CG-CD2 4.32Å; R24-Y34 HydrophobicContact CG-CE1 4.09Å; R24-Y34 HydrophobicContact CG-CG 3.53Å; R24-Y34 VanDerWaalsContact NH1-CE2 3.33Å; R25-Y34 CarbonylContact O-C 3.56Å; R25-Y34 VanDerWaalsContact O-CA 3.26Å; R25-Y34 WeakPolarHBondContact O-CA 3.44Å; Q32-Y34 VanDerWaalsContact CG-O 3.29Å; Q32-Y34 WeakPolarHBondContact CG-O 3.49Å; Q32-Y34 PolarHBondContact NE2-O 3.46Å |
| 35 | T | 94.9 | Very high | 88.5 | Confident | 19 Ų | 19 | 122.4 Ų | 122.4 | 12% | 0.117 | 63% | 0.627 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.9 | 171.8 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | R25 P26 G27 Q28 Q32 | R25-T35 WeakPolarHBondContact CA-O 3.27Å; R25-T35 WeakPolarHBondContact CB-O 3.36Å; R25-T35 PolarHBondContact N-O 2.81Å; R25-T35 PolarHBondContact O-N 3.47Å; P26-T35 PolarHBondContact O-OG1 3.4Å; G27-T35 WeakPolarHBondContact CA-OG1 3.41Å; Q28-T35 HydrophobicContact CG-CG2 4.34Å; Q28-T35 PolarHBondContact N-OG1 3.2Å; Q32-T35 VanDerWaalsContact CD-OG1 3.27Å; Q32-T35 PolarHBondContact NE2-OG1 2.87Å |
| 36 | Y | 94 | Very high | 86.8 | Confident | 70 Ų | 70 | 124.7 Ų | 124.7 | 28% | 0.275 | 64% | 0.635 | S | S | . | * | trans | -118.4 | 156.4 | 174.2 | -67.3 | -91.9 | 0 | 0 | 0 | 110.2 | M19 H23 R24 A38 | M19-Y36 HydrophobicContact CB-CD1 3.75Å; M19-Y36 HydrophobicContact CB-CE1 3.98Å; M19-Y36 HydrophobicContact CE-CD1 4.1Å; M19-Y36 HydrophobicContact CE-CD2 4.06Å; M19-Y36 HydrophobicContact CE-CG 3.69Å; M19-Y36 HydrophobicContact CG-CD1 4.39Å; M19-Y36 WeakPolarHBondContact SD-CB 3.41Å; M19-Y36 HydrophobicContact SD-CD1 3.81Å; M19-Y36 HydrophobicContact SD-CG 3.72Å; H23-Y36 HydrophobicContact CB-CD1 4.15Å; R24-Y36 HydrophobicContact CB-CE1 3.81Å; R24-Y36 HydrophobicContact CG-CE1 4.37Å; R24-Y36 PolarHBondContact NE-OH 3.09Å; R24-Y36 PolarHBondContact NH2-OH 3.13Å; Y36-A38 PolarHBondContact O-N 2.93Å; Y36-A38 VanDerWaalsContact O-N 3.14Å | ||
| 37 | P | 90.9 | Very high | 84.2 | Confident | 60 Ų | 60 | 126.5 Ų | 126.5 | 39% | 0.39 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 118.6 | 178.1 | -25.1 | 34 | 0 | 0 | 0 | 111.7 | H23 | H23-P37 VanDerWaalsContact O-CD 3.32Å; H23-P37 WeakPolarHBondContact O-CD 3.29Å |
| 38 | A | 86.3 | Confident | 81.6 | Confident | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 138 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y36 | Y36-A38 PolarHBondContact O-N 2.93Å; Y36-A38 VanDerWaalsContact O-N 3.14Å |
| 39 | R | 83.1 | Confident | 79.6 | Confident | 162 Ų | 162 | 129.1 Ų | 129.1 | 61% | 0.611 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 130.1 | 169.8 | -76.8 | -176.4 | 126.7 | -142 | -1 | 109.3 | Y16 W41 | Y16-R39 PolarHBondContact OH-NH2 3.01Å; R39-W41 PolarHBondContact O-N 3.11Å |
| 40 | C | 84.2 | Confident | 77.4 | Confident | 138 Ų | 138 | 131 Ų | 131 | 93% | 0.932 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 120.7 | 167 | -64.8 | 0 | 0 | 0 | 0 | 108 | ||
| 41 | W | 81.3 | Confident | 75 | Confident | 204 Ų | 204 | 132.8 Ų | 132.8 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | trans | -122.5 | 146.3 | 171.8 | 60.5 | -84.1 | 0 | 0 | 0 | 107.7 | R39 K43 | R39-W41 PolarHBondContact O-N 3.11Å; W41-K43 HydrophobicContact CZ3-CB 3.89Å | ||
| 42 | R | 84.4 | Confident | 72.7 | Confident | 238 Ų | 238 | 131.2 Ų | 131.2 | 90% | 0.898 | 62% | 0.623 | S | S | * | * | trans | -116.2 | 120.2 | 174.5 | -67 | 177.5 | 72.2 | -160.6 | 4.5 | 107.3 | K44 | R42-K44 PolarHBondContact O-N 3.3Š| ||
| 43 | K | 81.9 | Confident | 70.2 | Confident | 154 Ų | 154 | 132.4 Ų | 132.4 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | trans | -63.2 | 121.8 | 166.3 | -161.8 | 172.1 | -178.7 | 174.5 | 0 | 106.5 | W41 R45 | W41-K43 HydrophobicContact CZ3-CB 3.89Å; K43-R45 PolarHBondContact O-N 3.48Å | ||
| 44 | K | 71.7 | Confident | 67.9 | Low | 198 Ų | 198 | 132 Ų | 132 | 86% | 0.861 | 63% | 0.634 | S | S | * | * | trans | -61.1 | 115 | 165.4 | -75.3 | -171.4 | 178.4 | -175.1 | 0 | 106.3 | R42 R46 | R42-K44 PolarHBondContact O-N 3.3Å; K44-R46 PolarHBondContact O-N 3.47Å | ||
| 45 | R | 66.6 | Low | 65.4 | Low | 198 Ų | 198 | 132.3 Ų | 132.3 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | trans | -58.7 | 110.5 | 163.5 | -81.5 | 174.6 | 61 | -175 | -2.2 | 104.9 | K43 L47 | K43-R45 PolarHBondContact O-N 3.48Å; R45-L47 PolarHBondContact O-N 3.43Å; R45-L47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | R | 57.7 | Low | 62.8 | Low | 192 Ų | 192 | 141.8 Ų | 141.8 | 73% | 0.725 | 68% | 0.677 | S | S | * | * | trans | -55 | 118.9 | 152.3 | -71.5 | -170.1 | -116 | -93 | 3.2 | 103.2 | K44 H48 | K44-R46 PolarHBondContact O-N 3.47Å; R46-H48 PolarHBondContact O-N 3.06Å; R46-H48 VanDerWaalsContact O-N 3.16Å | ||
| 47 | L | 40.3 | Very low | 60.2 | Low | 148 Ų | 148 | 145.8 Ų | 145.8 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | trans | -48.3 | 129.9 | 165.4 | -68.2 | 169 | 0 | 0 | 0 | 104.5 | R45 | R45-L47 PolarHBondContact O-N 3.43Å; R45-L47 VanDerWaalsContact O-N 3.08Å | ||
| 48 | H | 40.4 | Very low | 57.5 | Low | 142 Ų | 142 | 148 Ų | 148 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | -42.7 | 133.6 | 165.4 | -69.1 | -90.2 | 0 | 0 | 0 | 106 | R46 | R46-H48 PolarHBondContact O-N 3.06Å; R46-H48 VanDerWaalsContact O-N 3.16Å | ||
| 49 | P | 50.1 | Low | 55 | Low | 96 Ų | 96 | 152 Ų | 152 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | trans | -45.3 | 124.2 | 158.4 | -20.2 | 30.9 | 0 | 0 | 0 | 104.7 | L51 | P49-L51 PolarHBondContact O-N 3.16Š| ||
| 50 | P | 45.5 | Very low | 52.7 | Low | 99 Ų | 99 | 151.7 Ų | 151.7 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | trans | -47.9 | 122.9 | -177.6 | 17.8 | -29.6 | 0 | 0 | 0 | 106.2 | D52 | P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 3.47Å | ||
| 51 | L | 42.9 | Very low | 50.4 | Low | 147 Ų | 147 | 155 Ų | 155 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -55.5 | 108.2 | 168.6 | -81.5 | 166.7 | 0 | 0 | 0 | 104.3 | P49 P53 L55 | P49-L51 PolarHBondContact O-N 3.16Å; L51-P53 WeakPolarHBondContact O-CD 3.1Å; L51-L55 HydrophobicContact CD2-CD1 4.04Å | ||
| 52 | D | 46.3 | Very low | 48 | Very low | 54 Ų | 54 | 153.1 Ų | 153.1 | 29% | 0.289 | 73% | 0.727 | S | S | . | * | trans | -55.6 | 125.2 | -170.8 | -170.8 | -16.6 | 0 | 0 | 0 | 108.4 | P50 Q54 L55 | P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 3.47Å; D52-Q54 PolarHBondContact O-N 3.46Å; D52-Q54 VanDerWaalsContact OD1-CB 3.29Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.31Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.07Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; D52-L55 HydrophobicContact CB-CG 4.49Å; D52-L55 WeakPolarHBondContact O-CB 3.3Å; D52-L55 PolarHBondContact O-N 3.38Å | ||
| 53 | P | 42.7 | Very low | 45.5 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -51.4 | -20.5 | 169.3 | -27 | 35.6 | 0 | 0 | 0 | 113.3 | L51 L55 R56 | L51-P53 WeakPolarHBondContact O-CD 3.1Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 3.31Å; P53-R56 WeakPolarHBondContact O-CB 3.42Å; P53-R56 PolarHBondContact O-N 2.86Å |
| 54 | Q | 44.8 | Very low | 43 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 66% | 0.659 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -76.9 | -2.6 | 174.8 | -57.8 | -178.2 | -88.9 | 0 | 0 | 114.4 | D52 R56 | D52-Q54 PolarHBondContact O-N 3.46Å; D52-Q54 VanDerWaalsContact OD1-CB 3.29Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.31Å; D52-Q54 WeakPolarHBondContact OD1-CG 3.07Å; D52-Q54 PolarHBondContact OD1-N 3.45Å; Q54-R56 PolarHBondContact O-N 2.9Å |
| 55 | L | 43.9 | Very low | 41.3 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -71.3 | -0.3 | 161.3 | -69.2 | 172.8 | 0 | 0 | 0 | 112.6 | L51 D52 P53 L57 | L51-L55 HydrophobicContact CD2-CD1 4.04Å; D52-L55 HydrophobicContact CB-CG 4.49Å; D52-L55 WeakPolarHBondContact O-CB 3.3Å; D52-L55 PolarHBondContact O-N 3.38Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 3.31Å; L55-L57 PolarHBondContact O-N 2.87Å |
| 56 | R | 40.6 | Very low | 39.7 | Very low | 218 Ų | 218 | 140.4 Ų | 140.4 | 82% | 0.823 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -78.2 | 92 | 153.9 | -73.3 | -128.1 | 164.1 | 155.4 | -0.3 | 108.8 | P53 Q54 C58 | P53-R56 WeakPolarHBondContact O-CB 3.42Å; P53-R56 PolarHBondContact O-N 2.86Å; Q54-R56 PolarHBondContact O-N 2.9Å; R56-C58 PolarHBondContact O-N 3Å |
| 57 | L | 39.1 | Very low | 38.3 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | trans | 30.4 | 92.8 | 151.6 | -81.3 | 153.3 | 0 | 0 | 0 | 113.9 | L55 E59 | L55-L57 PolarHBondContact O-N 2.87Å; L57-E59 PolarHBondContact O-N 2.99Å | ||
| 58 | C | 34.1 | Very low | 38.2 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 72% | 0.716 | 72% | 0.723 | S | S | * | * | trans | -62.1 | 90.4 | 152.5 | -82.1 | 0 | 0 | 0 | 0 | 107.8 | R56 L60 | R56-C58 PolarHBondContact O-N 3Å; C58-L60 PolarHBondContact O-N 2.96Å | ||
| 59 | E | 33.3 | Very low | 38.1 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | trans | -59.5 | 92.2 | 153.8 | -84.4 | 179.6 | 147.5 | 0 | 0 | 106.9 | L57 R61 | L57-E59 PolarHBondContact O-N 2.99Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 2.88Å | ||
| 60 | L | 34.2 | Very low | 37.2 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -61.9 | 101.4 | 160.8 | -74.9 | 169.5 | 0 | 0 | 0 | 106.7 | C58 L62 | C58-L60 PolarHBondContact O-N 2.96Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.82Å | ||
| 61 | R | 36.8 | Very low | 36.8 | Very low | 207 Ų | 207 | 148.5 Ų | 148.5 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | -56.1 | 94.8 | 165.1 | -177.7 | 176.6 | 174.8 | 146.6 | -1.1 | 108.3 | E59 E63 | E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 2.88Å; R61-E63 IonicContact CZ-OE1 3.55Å; R61-E63 IonicContact NE-OE1 3.02Å; R61-E63 PolarHBondContact NE-OE1 3.44Å; R61-E63 IonicContact NH2-OE1 3.18Å; R61-E63 PolarHBondContact NH2-OE1 3.13Å; R61-E63 PolarHBondContact O-N 3.15Å; R61-E63 VanDerWaalsContact O-N 3.14Å | ||
| 62 | L | 30.2 | Very low | 36.3 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -72.4 | 99 | 161.7 | -81.2 | 164.8 | 0 | 0 | 0 | 107 | L60 A64 | L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.82Å; L62-A64 PolarHBondContact O-N 3.12Å; L62-A64 VanDerWaalsContact O-N 3.09Å | ||
| 63 | E | 33.1 | Very low | 36.1 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 61% | 0.607 | 78% | 0.78 | S | S | * | * | trans | -56.5 | 105.6 | 161.8 | -76.2 | -86.1 | 133 | 0 | 0 | 108.5 | R61 | R61-E63 IonicContact CZ-OE1 3.55Å; R61-E63 IonicContact NE-OE1 3.02Å; R61-E63 PolarHBondContact NE-OE1 3.44Å; R61-E63 IonicContact NH2-OE1 3.18Å; R61-E63 PolarHBondContact NH2-OE1 3.13Å; R61-E63 PolarHBondContact O-N 3.15Å; R61-E63 VanDerWaalsContact O-N 3.14Å | ||
| 64 | A | 29.6 | Very low | 36 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -121.2 | 88.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | L62 | L62-A64 PolarHBondContact O-N 3.12Å; L62-A64 VanDerWaalsContact O-N 3.09Å | ||
| 65 | D | 35.1 | Very low | 35.5 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | trans | -90.4 | 147 | 172.4 | -138.3 | -16.3 | 0 | 0 | 0 | 110 | ||||
| 66 | L | 32.6 | Very low | 35.5 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 86.4 | 96.6 | 166.1 | -44.8 | -178.8 | 0 | 0 | 0 | 119.6 | ||||
| 67 | A | 29.4 | Very low | 35.5 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -173.9 | 151.8 | 115.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 68 | P | 37.9 | Very low | 36.6 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -96.8 | 160.7 | -148.6 | 37.1 | -34.4 | 0 | 0 | 0 | 116.2 | ||||
| 69 | K | 37.7 | Very low | 37.4 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -11.5 | 128.4 | 168.1 | -75 | -169.6 | 170.8 | -171.4 | 0 | 117.7 | ||||
| 70 | R | 32.3 | Very low | 38 | Very low | 248 Ų | 248 | 137.2 Ų | 137.2 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | trans | -137 | 130.3 | 138.8 | -79.8 | -157.3 | 171.5 | -168.9 | -0.8 | 111.2 | ||||
| 71 | E | 36.8 | Very low | 39 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -78 | 146 | 173.4 | -64.9 | -164.2 | 164.4 | 0 | 0 | 111.8 | ||||
| 72 | G | 32.4 | Very low | 39.9 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -173.6 | 150.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 73 | P | 41.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -90.2 | 174.6 | -142 | 38.2 | -38.1 | 0 | 0 | 0 | 115.5 | ||||
| 74 | P | 41.1 | Very low | 41.6 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -83.7 | 127.9 | -168.1 | 33.5 | -29.5 | 0 | 0 | 0 | 111.3 | ||||
| 75 | G | 35 | Very low | 42.8 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -131.1 | 107.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 76 | E | 42.8 | Very low | 43.6 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | 36.3 | 96.4 | 152.2 | -65.6 | 176.4 | 165.2 | 0 | 0 | 118 | T78 | E76-T78 PolarHBondContact O-N 3.42Š| ||
| 77 | A | 41.6 | Very low | 44.4 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -61.1 | 124.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 78 | T | 61.6 | Low | 45.3 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 60% | 0.595 | 75% | 0.747 | S | S | * | * | trans | -72 | 148.1 | 177.5 | 39.3 | 0 | 0 | 0 | 0 | 111 | E76 L80 E81 | E76-T78 PolarHBondContact O-N 3.42Å; T78-L80 PolarHBondContact O-N 2.97Å; T78-E81 PolarHBondContact O-N 3.36Å | ||
| 79 | A | 50.6 | Low | 45.8 | Very low | 82 Ų | 82 | 130 Ų | 130 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -54.3 | -16.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 80 | L | 45.2 | Very low | 46.2 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -68.5 | -33 | 175.7 | -155.1 | 83.4 | 0 | 0 | 0 | 112.8 | T78 | T78-L80 PolarHBondContact O-N 2.97Å |
| 81 | E | 55.8 | Low | 46.8 | Very low | 110 Ų | 110 | 122 Ų | 122 | 51% | 0.514 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -77.8 | -19.6 | 179.7 | -69.1 | -152.1 | 138 | 0 | 0 | 113.5 | T78 | T78-E81 PolarHBondContact O-N 3.36Å |
| 82 | A | 55.3 | Low | 47.2 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 61% | 0.612 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -77 | -30.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 83 | L | 51.8 | Low | 47.8 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -76.3 | -28.6 | -179.6 | -76.2 | 161.3 | 0 | 0 | 0 | 113.2 | R85 | L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 2.77Å |
| 84 | L | 48.3 | Very low | 48.2 | Very low | 152 Ų | 152 | 125 Ų | 125 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -8.7 | -180 | -71.5 | 168.8 | 0 | 0 | 0 | 114.1 | ||
| 85 | R | 54.2 | Low | 48.6 | Very low | 212 Ų | 212 | 122.9 Ų | 122.9 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -8.9 | -179.5 | -106.2 | -168.7 | -73.2 | -112.7 | -2.2 | 115.1 | L83 | L83-R85 VanDerWaalsContact C-N 3.28Å; L83-R85 PolarHBondContact O-N 2.77Å |
| 86 | G | 51.5 | Low | 49.6 | Very low | 47 Ų | 47 | 125 Ų | 125 | 49% | 0.485 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -134.4 | 81.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 87 | D | 50.4 | Low | 50.4 | Low | 159 Ų | 159 | 119.3 Ų | 119.3 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 171.7 | 92.5 | 142.7 | -95.2 | -24.2 | 0 | 0 | 0 | 110.2 | ||
| 88 | N | 47.9 | Very low | 51.4 | Low | 142 Ų | 142 | 121.7 Ų | 121.7 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -169 | 14 | 161.2 | -99.6 | -42.3 | 0 | 0 | 0 | 114 | ||
| 89 | A | 47.3 | Very low | 51.6 | Low | 84 Ų | 84 | 121.8 Ų | 121.8 | 69% | 0.694 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -91.2 | -19.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 90 | L | 46.8 | Very low | 52.4 | Low | 142 Ų | 142 | 123.8 Ų | 123.8 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -84 | -42.2 | -175.8 | -149 | 81.9 | 0 | 0 | 0 | 112.5 | K92 K93 | L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 2.91Å; L90-K93 PolarHBondContact O-N 3.48Å |
| 91 | E | 44.2 | Very low | 53.3 | Low | 128 Ų | 128 | 123.9 Ų | 123.9 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.1 | -33.1 | 179.9 | -66.1 | -74.7 | 122.6 | 0 | 0 | 112.7 | K93 N94 N95 | E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 3.26Å; E91-N94 PolarHBondContact O-N 3.41Å; E91-N95 PolarHBondContact O-N 3Å; E91-N95 PolarHBondContact O-ND2 2.97Å |
| 92 | K | 46.1 | Very low | 54.4 | Low | 170 Ų | 170 | 122.1 Ų | 122.1 | 74% | 0.739 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.9 | -25.4 | -177.5 | -151.6 | 167 | -174.8 | 173.9 | 0 | 113.1 | L90 L96 | L90-K92 VanDerWaalsContact C-N 3.3Å; L90-K92 PolarHBondContact O-N 2.91Å; K92-L96 PolarHBondContact O-N 3.16Å |
| 93 | K | 44.6 | Very low | 55.4 | Low | 159 Ų | 159 | 124 Ų | 124 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.3 | -36.7 | 174.1 | -87.2 | 176.7 | 167.4 | 172.8 | 0 | 112.4 | L90 E91 S97 | L90-K93 PolarHBondContact O-N 3.48Å; E91-K93 VanDerWaalsContact C-N 3.35Å; E91-K93 PolarHBondContact O-N 3.26Å; K93-S97 WeakPolarHBondContact O-CB 3.22Å; K93-S97 PolarHBondContact O-N 2.94Å |
| 94 | N | 50.1 | Low | 56.5 | Low | 115 Ų | 115 | 122 Ų | 122 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.1 | -38.2 | 176.7 | -95 | 3.4 | 0 | 0 | 0 | 112.7 | E91 K98 | E91-N94 PolarHBondContact O-N 3.41Å; N94-K98 WeakPolarHBondContact O-CB 3.5Å; N94-K98 PolarHBondContact O-N 3.48Å |
| 95 | N | 50.2 | Low | 57.7 | Low | 92 Ų | 92 | 119.3 Ų | 119.3 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.4 | -42.2 | 177.2 | -73.8 | -70.2 | 0 | 0 | 0 | 111.9 | E91 S97 K98 D99 | E91-N95 PolarHBondContact O-N 3Å; E91-N95 PolarHBondContact O-ND2 2.97Å; N95-S97 VanDerWaalsContact C-N 3.34Å; N95-S97 PolarHBondContact O-N 3.4Å; N95-K98 PolarHBondContact O-N 2.89Å; N95-D99 PolarHBondContact O-N 2.6Å |
| 96 | L | 55 | Low | 58.5 | Low | 113 Ų | 113 | 113.6 Ų | 113.6 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.4 | -39.2 | 176.8 | -172.6 | 63.9 | 0 | 0 | 0 | 112.4 | K92 K98 D99 E100 | K92-L96 PolarHBondContact O-N 3.16Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.41Å; L96-D99 PolarHBondContact O-N 3.43Å; L96-E100 VanDerWaalsContact O-CG 3.26Å; L96-E100 WeakPolarHBondContact O-CG 3.4Å; L96-E100 PolarHBondContact O-N 3.16Å; L96-E100 VanDerWaalsContact O-N 3.16Å |
| 97 | S | 59.1 | Low | 59.3 | Low | 73 Ų | 73 | 116.4 Ų | 116.4 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.6 | -35.5 | 175 | 163.5 | 0 | 0 | 0 | 0 | 112.9 | K93 N95 E101 | K93-S97 WeakPolarHBondContact O-CB 3.22Å; K93-S97 PolarHBondContact O-N 2.94Å; N95-S97 VanDerWaalsContact C-N 3.34Å; N95-S97 PolarHBondContact O-N 3.4Å; S97-E101 PolarHBondContact O-N 3.03Å |
| 98 | K | 62.6 | Low | 60.4 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 60% | 0.596 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.3 | -34.4 | -179.2 | -166.2 | 172.1 | -175.5 | 176.1 | 0 | 112.1 | N94 N95 L96 E101 T102 | N94-K98 WeakPolarHBondContact O-CB 3.5Å; N94-K98 PolarHBondContact O-N 3.48Å; N95-K98 PolarHBondContact O-N 2.89Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 3.41Å; K98-E101 PolarHBondContact O-N 3.49Å; K98-T102 WeakPolarHBondContact O-CB 3.35Å; K98-T102 PolarHBondContact O-N 2.78Å; K98-T102 PolarHBondContact O-OG1 3.37Å |
| 99 | D | 65.8 | Low | 61.5 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.6 | -37.6 | 175.4 | -68.2 | -19.3 | 0 | 0 | 0 | 111.6 | N95 L96 T102 L103 | N95-D99 PolarHBondContact O-N 2.6Å; L96-D99 PolarHBondContact O-N 3.43Å; D99-T102 PolarHBondContact O-N 2.81Å; D99-L103 PolarHBondContact O-N 3.28Å |
| 100 | E | 68.7 | Low | 62.5 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -42.4 | 173.4 | -67.8 | -111 | 129 | 0 | 0 | 112.1 | L96 T102 L103 L104 | L96-E100 VanDerWaalsContact O-CG 3.26Å; L96-E100 WeakPolarHBondContact O-CG 3.4Å; L96-E100 PolarHBondContact O-N 3.16Å; L96-E100 VanDerWaalsContact O-N 3.16Å; E100-T102 VanDerWaalsContact C-N 3.31Å; E100-T102 PolarHBondContact O-N 2.71Å; E100-L103 PolarHBondContact O-N 3.02Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 2.85Å; E100-L104 VanDerWaalsContact O-N 3.11Å |
| 101 | E | 64.5 | Low | 63.4 | Low | 130 Ų | 130 | 110.6 Ų | 110.6 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65 | -36.5 | 176.9 | -171.3 | 173.1 | -162.7 | 0 | 0 | 112 | S97 K98 L104 E105 | S97-E101 PolarHBondContact O-N 3.03Å; K98-E101 PolarHBondContact O-N 3.49Å; E101-L104 PolarHBondContact O-N 2.84Å; E101-E105 PolarHBondContact O-N 3.36Å; E101-E105 VanDerWaalsContact O-N 3.15Å |
| 102 | T | 78.3 | Confident | 64.3 | Low | 74 Ų | 74 | 107.9 Ų | 107.9 | 45% | 0.454 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.8 | -37.5 | 177.7 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | K98 D99 E100 E105 I106 | K98-T102 WeakPolarHBondContact O-CB 3.35Å; K98-T102 PolarHBondContact O-N 2.78Å; K98-T102 PolarHBondContact O-OG1 3.37Å; D99-T102 PolarHBondContact O-N 2.81Å; E100-T102 VanDerWaalsContact C-N 3.31Å; E100-T102 PolarHBondContact O-N 2.71Å; T102-E105 PolarHBondContact O-N 2.75Å; T102-I106 HydrophobicContact CG2-CD1 4.38Å; T102-I106 WeakPolarHBondContact O-CG1 3.34Å; T102-I106 PolarHBondContact O-N 2.9Å; T102-I106 VanDerWaalsContact O-N 3.14Å |
| 103 | L | 75.1 | Confident | 64.8 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 59% | 0.586 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -39.3 | 175.3 | -88.6 | 163.5 | 0 | 0 | 0 | 112.5 | D99 E100 E105 I106 Q107 | D99-L103 PolarHBondContact O-N 3.28Å; E100-L103 PolarHBondContact O-N 3.02Å; L103-E105 VanDerWaalsContact C-N 3.34Å; L103-I106 PolarHBondContact O-N 3.01Å; L103-Q107 PolarHBondContact O-N 3.44Å |
| 104 | L | 76.4 | Confident | 65.2 | Low | 97 Ų | 97 | 106.8 Ų | 106.8 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.3 | -32.3 | 176.7 | -68.5 | 171 | 0 | 0 | 0 | 112.5 | E100 E101 R108 | E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 2.85Å; E100-L104 VanDerWaalsContact O-N 3.11Å; E101-L104 PolarHBondContact O-N 2.84Å; L104-R108 WeakPolarHBondContact O-CG 3.08Å; L104-R108 PolarHBondContact O-N 3.19Å |
| 105 | E | 72.8 | Confident | 65.4 | Low | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69 | -41.8 | 173.6 | -174.2 | 64.9 | -172.8 | 0 | 0 | 112 | E101 T102 L103 Q107 R108 V109 | E101-E105 PolarHBondContact O-N 3.36Å; E101-E105 VanDerWaalsContact O-N 3.15Å; T102-E105 PolarHBondContact O-N 2.75Å; L103-E105 VanDerWaalsContact C-N 3.34Å; E105-Q107 VanDerWaalsContact C-N 3.29Å; E105-Q107 PolarHBondContact O-N 3.37Å; E105-R108 PolarHBondContact O-N 2.83Å; E105-R108 IonicContact OE2-CZ 3.26Å; E105-R108 VanDerWaalsContact OE2-CZ 3.26Å; E105-R108 IonicContact OE2-NE 2.66Å; E105-R108 PolarHBondContact OE2-NE 3.35Å; E105-R108 IonicContact OE2-NH2 2.66Å; E105-R108 PolarHBondContact OE2-NH2 3.44Å; E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.18Å |
| 106 | I | 71.7 | Confident | 65.1 | Low | 93 Ų | 93 | 106.8 Ų | 106.8 | 48% | 0.477 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.4 | -41.1 | 175.4 | -67.3 | 164.9 | 0 | 0 | 0 | 110.5 | T102 L103 V109 L110 | T102-I106 HydrophobicContact CG2-CD1 4.38Å; T102-I106 WeakPolarHBondContact O-CG1 3.34Å; T102-I106 PolarHBondContact O-N 2.9Å; T102-I106 VanDerWaalsContact O-N 3.14Å; L103-I106 PolarHBondContact O-N 3.01Å; I106-V109 PolarHBondContact O-N 3.19Å; I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CG 3.29Å; I106-L110 PolarHBondContact O-N 3.47Å; I106-L110 VanDerWaalsContact O-N 3.15Å |
| 107 | Q | 67.3 | Low | 64.1 | Low | 106 Ų | 106 | 108.5 Ų | 108.5 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.8 | -40.2 | 177.3 | -173 | 158.6 | -10.2 | 0 | 0 | 112.3 | L103 E105 V109 L110 E111 | L103-Q107 PolarHBondContact O-N 3.44Å; E105-Q107 VanDerWaalsContact C-N 3.29Å; E105-Q107 PolarHBondContact O-N 3.37Å; Q107-V109 PolarHBondContact O-N 3.25Å; Q107-L110 PolarHBondContact O-N 3.03Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.27Å; Q107-E111 PolarHBondContact NE2-OE1 2.73Å; Q107-E111 WeakPolarHBondContact O-CG 3.39Å; Q107-E111 PolarHBondContact O-N 3.4Å |
| 108 | R | 74.1 | Confident | 63 | Low | 131 Ų | 131 | 109 Ų | 109 | 49% | 0.494 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.9 | -38.3 | 173.5 | -79.7 | -167.4 | -69.2 | -98.5 | 5 | 113.6 | L104 E105 E111 A112 | L104-R108 WeakPolarHBondContact O-CG 3.08Å; L104-R108 PolarHBondContact O-N 3.19Å; E105-R108 PolarHBondContact O-N 2.83Å; E105-R108 IonicContact OE2-CZ 3.26Å; E105-R108 VanDerWaalsContact OE2-CZ 3.26Å; E105-R108 IonicContact OE2-NE 2.66Å; E105-R108 PolarHBondContact OE2-NE 3.35Å; E105-R108 IonicContact OE2-NH2 2.66Å; E105-R108 PolarHBondContact OE2-NH2 3.44Å; R108-E111 PolarHBondContact O-N 3.05Å; R108-A112 WeakPolarHBondContact O-CB 3.46Å; R108-A112 PolarHBondContact O-N 3.11Å |
| 109 | V | 71.4 | Confident | 61.6 | Low | 70 Ų | 70 | 112.3 Ų | 112.3 | 42% | 0.424 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.5 | -42.3 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | E105 I106 Q107 A112 E113 | E105-V109 WeakPolarHBondContact O-CG2 3.49Å; E105-V109 PolarHBondContact O-N 3.18Å; I106-V109 PolarHBondContact O-N 3.19Å; Q107-V109 PolarHBondContact O-N 3.25Å; V109-A112 PolarHBondContact O-N 3.07Å; V109-E113 WeakPolarHBondContact O-CG 3.49Å; V109-E113 PolarHBondContact O-N 2.95Å; V109-E113 VanDerWaalsContact O-N 3.15Å |
| 110 | L | 68.1 | Low | 60.3 | Low | 105 Ų | 105 | 114 Ų | 114 | 55% | 0.55 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -39.2 | 176.9 | -66.9 | 171.3 | 0 | 0 | 0 | 112.2 | I106 Q107 A112 E113 E114 | I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CG 3.29Å; I106-L110 PolarHBondContact O-N 3.47Å; I106-L110 VanDerWaalsContact O-N 3.15Å; Q107-L110 PolarHBondContact O-N 3.03Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.81Å; L110-E113 PolarHBondContact O-N 2.88Å; L110-E114 PolarHBondContact O-N 3.45Å |
| 111 | E | 65.5 | Low | 58.9 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 46% | 0.458 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.1 | -26.5 | 176.6 | -71.1 | 172.1 | -174.6 | 0 | 0 | 112.9 | Q107 R108 | Q107-E111 WeakPolarHBondContact CG-OE1 3.27Å; Q107-E111 PolarHBondContact NE2-OE1 2.73Å; Q107-E111 WeakPolarHBondContact O-CG 3.39Å; Q107-E111 PolarHBondContact O-N 3.4Å; R108-E111 PolarHBondContact O-N 3.05Å |
| 112 | A | 63.2 | Low | 57.3 | Low | 71 Ų | 71 | 115.7 Ų | 115.7 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.5 | -28.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R108 V109 L110 | R108-A112 WeakPolarHBondContact O-CB 3.46Å; R108-A112 PolarHBondContact O-N 3.11Å; V109-A112 PolarHBondContact O-N 3.07Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 2.81Å |
| 113 | E | 56.1 | Low | 55.3 | Low | 146 Ų | 146 | 121.7 Ų | 121.7 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -77.3 | -22.3 | 176.4 | -69.6 | -177 | -177.2 | 0 | 0 | 112.8 | V109 L110 | V109-E113 WeakPolarHBondContact O-CG 3.49Å; V109-E113 PolarHBondContact O-N 2.95Å; V109-E113 VanDerWaalsContact O-N 3.15Å; L110-E113 PolarHBondContact O-N 2.88Å |
| 114 | E | 53.2 | Low | 53.5 | Low | 160 Ų | 160 | 124.8 Ų | 124.8 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80.8 | -20.5 | 178.1 | -169 | 169.6 | -174.8 | 0 | 0 | 113.5 | L110 | L110-E114 PolarHBondContact O-N 3.45Å |
| 115 | N | 54.3 | Low | 51.4 | Low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -110.8 | 15.2 | -174.2 | -69.5 | -29.5 | 0 | 0 | 0 | 115 | D117 | N115-D117 PolarHBondContact O-N 2.91Š|
| 116 | G | 44.3 | Very low | 49.8 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | trans | -91.9 | 87.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 117 | D | 33.4 | Very low | 48 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -58.5 | 144.1 | -179.4 | -165.4 | 20.5 | 0 | 0 | 0 | 115.2 | N115 | N115-D117 PolarHBondContact O-N 2.91Š| ||
| 118 | S | 35.7 | Very low | 46.2 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | trans | 6.7 | 128 | 144.9 | -172.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 119 | F | 32.8 | Very low | 44.3 | Very low | 207 Ų | 207 | 133.8 Ų | 133.8 | 91% | 0.908 | 71% | 0.706 | S | S | * | * | -160.1 | 132.4 | 126.4 | -113.5 | -84.6 | 0 | 0 | 0 | 111 | |||||
| 120 | H | 40.4 | Very low | 42.6 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 63% | 0.625 | 73% | 0.725 | S | S | * | * | trans | -83.4 | 148.7 | -179.9 | -166.4 | -85 | 0 | 0 | 0 | 110.4 | D122 | H120-D122 VanDerWaalsContact CE1-CG 3.48Å; H120-D122 IonicContact CE1-OD1 3.48Å; H120-D122 PolarHBondContact CE1-OD1 2.62Å; H120-D122 IonicContact CE1-OD2 3.7Å; H120-D122 PolarHBondContact CE1-OD2 2.71Å; H120-D122 VanDerWaalsContact CE1-OD2 3.25Å; H120-D122 IonicContact ND1-OD1 3.06Å; H120-D122 PolarHBondContact ND1-OD1 2.72Å; H120-D122 IonicContact ND1-OD2 3.85Å; H120-D122 PolarHBondContact ND1-OD2 3.38Å; H120-D122 IonicContact NE2-OD1 2.75Å | ||
| 121 | E | 37.5 | Very low | 40.9 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | 163.4 | 97.8 | 137.9 | -89.6 | 173.6 | -177.4 | 0 | 0 | 111.8 | ||||
| 122 | D | 32.3 | Very low | 39.3 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | 19.1 | 115.6 | 118.7 | -14 | -42 | 0 | 0 | 0 | 117 | H120 | H120-D122 VanDerWaalsContact CE1-CG 3.48Å; H120-D122 IonicContact CE1-OD1 3.48Å; H120-D122 PolarHBondContact CE1-OD1 2.62Å; H120-D122 IonicContact CE1-OD2 3.7Å; H120-D122 PolarHBondContact CE1-OD2 2.71Å; H120-D122 VanDerWaalsContact CE1-OD2 3.25Å; H120-D122 IonicContact ND1-OD1 3.06Å; H120-D122 PolarHBondContact ND1-OD1 2.72Å; H120-D122 IonicContact ND1-OD2 3.85Å; H120-D122 PolarHBondContact ND1-OD2 3.38Å; H120-D122 IonicContact NE2-OD1 2.75Å | |||
| 123 | E | 35.7 | Very low | 37.8 | Very low | 200 Ų | 200 | 151.5 Ų | 151.5 | 94% | 0.935 | 77% | 0.771 | S | S | * | * | trans | -141.4 | 113.2 | 141.9 | -94.8 | -162.3 | 161.6 | 0 | 0 | 111.2 | ||||
| 124 | E | 37.3 | Very low | 36.5 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -66 | 130.6 | 167.4 | 174.7 | 175.9 | -167 | 0 | 0 | 110.7 | ||||
| 125 | F | 32.3 | Very low | 35.6 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -142.8 | 98 | 164.1 | -165 | -102.4 | 0 | 0 | 0 | 111.2 | A127 | F125-A127 HydrophobicContact CE1-CB 3.96Š| ||
| 126 | E | 38.6 | Very low | 34.4 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -75.1 | 137.5 | 163 | -76.8 | -160.6 | 144.9 | 0 | 0 | 110.9 | ||||
| 127 | A | 33.8 | Very low | 33.8 | Very low | 80 Ų | 80 | 164.2 Ų | 164.2 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | -154.4 | 88.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F125 | F125-A127 HydrophobicContact CE1-CB 3.96Š| ||
| 128 | D | 29.8 | Very low | 33.6 | Very low | 157 Ų | 157 | 160.7 Ų | 160.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 33.9 | 133.3 | 133.1 | -130.1 | -15 | 0 | 0 | 0 | 122.4 | ||||
| 129 | T | 35.3 | Very low | 33.4 | Very low | 113 Ų | 113 | 166.7 Ų | 166.7 | 69% | 0.693 | 81% | 0.811 | S | S | * | * | trans | -80.5 | 161 | 174.7 | 61.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 130 | P | 35.3 | Very low | 33.2 | Very low | 128 Ų | 128 | 161.8 Ų | 161.8 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | -137.3 | 134.7 | 126 | 27 | -10.4 | 0 | 0 | 0 | 114.8 | |||||
| 131 | K | 32.9 | Very low | 32.7 | Very low | 194 Ų | 194 | 166.9 Ų | 166.9 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -55.5 | 140.1 | 163.6 | -66.4 | 167 | 176 | 168.4 | 0 | 111.6 | ||||
| 132 | K | 32.2 | Very low | 32.1 | Very low | 200 Ų | 200 | 162.3 Ų | 162.3 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -157.1 | 115.3 | 145.1 | -114.7 | 168.1 | -176.5 | 171.4 | 0 | 114.4 | ||||
| 133 | K | 30.7 | Very low | 32 | Very low | 194 Ų | 194 | 162.8 Ų | 162.8 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | 64.5 | 91.6 | 132.1 | -117.6 | 172.4 | -179.8 | 176.1 | 0 | 120.4 | ||||
| 134 | N | 29.7 | Very low | 31.8 | Very low | 143 Ų | 143 | 159 Ų | 159 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | 7.6 | 123.9 | 124.4 | -147.9 | 4.1 | 0 | 0 | 0 | 118.4 | |||||
| 135 | R | 33 | Very low | 31.6 | Very low | 241 Ų | 241 | 162.8 Ų | 162.8 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -161.7 | 111.3 | 144.9 | -121.4 | 177.7 | 156.4 | -178.7 | -6 | 112.7 | ||||
| 136 | N | 29.9 | Very low | 31.8 | Very low | 151 Ų | 151 | 165.3 Ų | 165.3 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | trans | -75.8 | 141.6 | 162.6 | -88.5 | 14.8 | 0 | 0 | 0 | 112.2 | ||||
| 137 | R | 32.2 | Very low | 31.4 | Very low | 247 Ų | 247 | 168.4 Ų | 168.4 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | 177.8 | 125.8 | 147.9 | -109.3 | 178.2 | 162.3 | -171.1 | -4.4 | 105.3 | ||||
| 138 | G | 27.7 | Very low | 31.2 | Very low | 73 Ų | 73 | 171 Ų | 171 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | cis | 117.4 | 121.5 | 25.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 139 | K | 32.7 | Very low | 31.1 | Very low | 210 Ų | 210 | 172.2 Ų | 172.2 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | trans | 87.3 | 104.7 | 160 | -76.1 | 166.9 | 168.3 | 167.4 | 0 | 121.4 | ||||
| 140 | S | 27.3 | Very low | 30.8 | Very low | 104 Ų | 104 | 172.1 Ų | 172.1 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | 67.8 | 143 | 93.8 | -148.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 141 | R | 30.5 | Very low | 30.6 | Very low | 242 Ų | 242 | 172 Ų | 172 | 91% | 0.913 | 84% | 0.842 | S | S | * | * | trans | 82.2 | 122.8 | 167.1 | -57.4 | 179.3 | 170.5 | 160.6 | -4.4 | 114.6 | ||||
| 142 | G | 25.7 | Very low | 30.4 | Very low | 77 Ų | 77 | 170.2 Ų | 170.2 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | cis | 111.8 | 116.8 | 24.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 143 | S | 29.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 165.7 Ų | 165.7 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | trans | -176.5 | 130.4 | 151.5 | -159.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 144 | T | 31.8 | Very low | 30.6 | Very low | 121 Ų | 121 | 165 Ų | 165 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | trans | -76.3 | 151 | 174.9 | -25.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 145 | R | 33.9 | Very low | 30.5 | Very low | 254 Ų | 254 | 166.2 Ų | 166.2 | 96% | 0.958 | 85% | 0.848 | S | S | * | * | trans | -163 | 127.6 | 143.6 | -110.7 | 169 | -175.5 | 177.7 | 1.3 | 112.3 | ||||
| 146 | R | 35.8 | Very low | 30.7 | Very low | 244 Ų | 244 | 161.6 Ų | 161.6 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | trans | -87.8 | 152.2 | 170.8 | -68.1 | 179.6 | 171.3 | 177.2 | -3.6 | 110.8 | ||||
| 147 | R | 29.7 | Very low | 30.6 | Very low | 237 Ų | 237 | 161.7 Ų | 161.7 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | trans | -168.8 | 104.5 | 148.5 | -148.1 | 171.8 | -174.3 | -160.9 | -0.6 | 110 | ||||
| 148 | T | 29.2 | Very low | 30.6 | Very low | 133 Ų | 133 | 158.4 Ų | 158.4 | 82% | 0.816 | 83% | 0.833 | S | S | * | * | 79.4 | 123.1 | 95.5 | -38.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 149 | E | 27.9 | Very low | 30.8 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -68.2 | 162.5 | 177.7 | -72.4 | 164.7 | 113 | 0 | 0 | 115.7 | ||||
| 150 | S | 29 | Very low | 30.5 | Very low | 110 Ų | 110 | 160.4 Ų | 160.4 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | trans | -170.7 | 121.4 | 130 | 16.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 151 | V | 30.8 | Very low | 30.6 | Very low | 125 Ų | 125 | 161.4 Ų | 161.4 | 76% | 0.758 | 82% | 0.824 | S | S | * | * | trans | 37 | 119.7 | 137.2 | -82.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 152 | N | 29.9 | Very low | 30.6 | Very low | 158 Ų | 158 | 155.6 Ų | 155.6 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | 43.9 | 126.6 | 127.9 | -63.9 | -27.1 | 0 | 0 | 0 | 123.4 | |||||
| 153 | A | 31.7 | Very low | 30.8 | Very low | 104 Ų | 104 | 158.3 Ų | 158.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -158.4 | 143.4 | 135 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 154 | E | 34.1 | Very low | 31 | Very low | 180 Ų | 180 | 159.9 Ų | 159.9 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -86.4 | 153 | -159.3 | -56.1 | 172.3 | 136.9 | 0 | 0 | 113.4 | ||||
| 155 | D | 29.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 164.7 Ų | 164.7 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -145.6 | 118.1 | 148 | -149.2 | 1.4 | 0 | 0 | 0 | 110.4 | ||||
| 156 | L | 35.8 | Very low | 31 | Very low | 144 Ų | 144 | 162 Ų | 162 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -98 | 122.9 | -177.9 | -76.8 | 157.9 | 0 | 0 | 0 | 107.7 | ||||
| 157 | D | 29.2 | Very low | 31 | Very low | 153 Ų | 153 | 157.8 Ų | 157.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -159.7 | 116.1 | 129.5 | -134.8 | -20.6 | 0 | 0 | 0 | 112.7 | |||||
| 158 | K | 31.4 | Very low | 31.1 | Very low | 178 Ų | 178 | 156.1 Ų | 156.1 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | trans | -146.7 | 109.7 | 174.1 | -164.4 | 177.8 | -168.3 | -177.8 | 0 | 107.6 | ||||
| 159 | P | 30.8 | Very low | 31.4 | Very low | 105 Ų | 105 | 159 Ų | 159 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -125.5 | 130.2 | 152.7 | 33.3 | -19.2 | 0 | 0 | 0 | 108.3 | ||||
| 160 | Y | 28.1 | Very low | 31.6 | Very low | 220 Ų | 220 | 158.8 Ų | 158.8 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | cis | -153.6 | 125.5 | 42.1 | -136.1 | -100.7 | 0 | 0 | 0 | 108.6 | ||||
| 161 | I | 27.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 160.9 Ų | 160.9 | 65% | 0.646 | 80% | 0.802 | S | S | * | * | trans | -94.3 | 123.7 | 166.1 | -66.5 | 179.8 | 0 | 0 | 0 | 106.1 | D163 | I161-D163 PolarHBondContact O-N 2.93Š| ||
| 162 | C | 30.3 | Very low | 32.3 | Very low | 119 Ų | 119 | 160.2 Ų | 160.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 101.4 | 168.4 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | N164 | C162-N164 PolarHBondContact O-N 2.89Š| ||
| 163 | D | 30.8 | Very low | 32.6 | Very low | 134 Ų | 134 | 162.4 Ų | 162.4 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | -71.4 | 116.4 | 175.2 | -119.2 | -28.2 | 0 | 0 | 0 | 110.3 | I161 | I161-D163 PolarHBondContact O-N 2.93Š| ||
| 164 | N | 33.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 166.7 Ų | 166.7 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -96.6 | 87.8 | 167.1 | -128.5 | -21.1 | 0 | 0 | 0 | 108.1 | C162 | C162-N164 PolarHBondContact O-N 2.89Š| ||
| 165 | R | 33.7 | Very low | 33 | Very low | 222 Ų | 222 | 162.8 Ų | 162.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -152.8 | 87.1 | 169.1 | -140.2 | -176.7 | -79.8 | -161.8 | -1.7 | 114.1 | ||||
| 166 | Y | 31.5 | Very low | 33.6 | Very low | 197 Ų | 197 | 162.6 Ų | 162.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -136.3 | 97.7 | 145.6 | -149.8 | -102 | 0 | 0 | 0 | 112 | ||
| 167 | K | 36.4 | Very low | 34.2 | Very low | 156 Ų | 156 | 164.6 Ų | 164.6 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 62.9 | 99.9 | 154.5 | -63.5 | -177.1 | 179.2 | 166.3 | 0 | 119 | ||||
| 168 | Q | 32 | Very low | 35.1 | Very low | 201 Ų | 201 | 160.8 Ų | 160.8 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | -143.2 | 125.5 | 117.6 | -119.6 | 171.1 | 12.1 | 0 | 0 | 109.8 | |||||
| 169 | K | 35.8 | Very low | 35.9 | Very low | 194 Ų | 194 | 153.7 Ų | 153.7 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -82.4 | 150 | 175 | -85.5 | 179.5 | 170 | -179.6 | 0 | 109.1 | ||||
| 170 | H | 32.2 | Very low | 37.1 | Very low | 179 Ų | 179 | 152 Ų | 152 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | 94.3 | 127.2 | 165.5 | -76.4 | -84.2 | 0 | 0 | 0 | 118.9 | ||||
| 171 | N | 29.7 | Very low | 38.5 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | 83.2 | 104.5 | 163 | -88.7 | 2.2 | 0 | 0 | 0 | 120.1 | ||||
| 172 | S | 45.2 | Very low | 40 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | -0.7 | 119.7 | 141.6 | -172.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 173 | K | 36.4 | Very low | 41.8 | Very low | 203 Ų | 203 | 141.5 Ų | 141.5 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | -159.2 | 132.8 | 130.6 | -105.7 | 169.9 | -176.9 | -167.5 | 0 | 109.3 | ||||
| 174 | K | 35.4 | Very low | 43.6 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 85% | 0.848 | 67% | 0.672 | S | S | * | * | trans | -48.3 | 127 | 179 | -170.7 | 177.6 | 178.3 | -173 | 0 | 109.6 | E176 | K174-E176 PolarHBondContact O-N 2.77Š| ||
| 175 | A | 37.7 | Very low | 45.4 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 81% | 0.81 | 63% | 0.634 | S | S | * | * | trans | -61.4 | 111.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | E177 | A175-E177 PolarHBondContact O-N 2.93Š| ||
| 176 | E | 42.3 | Very low | 47.2 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 76% | 0.762 | 63% | 0.631 | S | S | * | * | trans | -55.5 | 133.3 | 174 | -75 | 170.6 | 166.4 | 0 | 0 | 109.7 | K174 V178 | K174-E176 PolarHBondContact O-N 2.77Å; E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.37Å | ||
| 177 | E | 48.4 | Very low | 49 | Very low | 186 Ų | 186 | 121.4 Ų | 121.4 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | trans | -67.3 | 92.1 | 174.5 | -162.6 | 168.3 | -173.7 | 0 | 0 | 107.6 | A175 C179 | A175-E177 PolarHBondContact O-N 2.93Å; E177-C179 PolarHBondContact O-N 3.23Å; E177-C179 VanDerWaalsContact O-N 3.14Å | ||
| 178 | V | 47.9 | Very low | 50.7 | Low | 73 Ų | 73 | 114 Ų | 114 | 44% | 0.442 | 57% | 0.568 | S | S | . | * | trans | -55.3 | 119 | 179.5 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | E176 G180 | E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.37Å; V178-G180 PolarHBondContact O-N 2.75Å | ||
| 179 | C | 49 | Very low | 52.6 | Low | 30 Ų | 30 | 106.7 Ų | 106.7 | 20% | 0.203 | 53% | 0.534 | C | S | . | . | trans | -50 | 133.5 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | E177 K181 H192 H197 | E177-C179 PolarHBondContact O-N 3.23Å; E177-C179 VanDerWaalsContact O-N 3.14Å; C179-K181 PolarHBondContact O-N 2.89Å; C179-H192 PolarHBondContact SG-CE1 2.89Å; C179-H192 PolarHBondContact SG-NE2 3.32Å; C179-H197 VanDerWaalsContact CB-NE2 3.27Å; C179-H197 WeakPolarHBondContact CB-NE2 3.28Å | ||
| 180 | G | 54.6 | Low | 54.3 | Low | 69 Ų | 69 | 98.6 Ų | 98.6 | 71% | 0.711 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -67.5 | -13 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V178 R182 | V178-G180 PolarHBondContact O-N 2.75Å; G180-R182 PolarHBondContact O-N 3.44Å |
| 181 | K | 57.9 | Low | 56.2 | Low | 72 Ų | 72 | 90.7 Ų | 90.7 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | trans | -76.1 | 88.8 | 172.9 | -63.5 | 179.2 | 179.5 | 176.4 | 0 | 109.4 | C179 Y183 H192 E291 | C179-K181 PolarHBondContact O-N 2.89Å; K181-Y183 HydrophobicContact CB-CE2 3.93Å; K181-Y183 PolarHBondContact O-N 3.28Å; K181-H192 PolarHBondContact O-CE1 3.21Å; K181-H192 PolarHBondContact O-ND1 2.93Å; K181-E291 IonicContact NZ-OE1 3.11Å; K181-E291 IonicContact NZ-OE2 3.23Å; K181-E291 PolarHBondContact NZ-OE2 3.48Å | ||
| 182 | R | 59.3 | Low | 58.3 | Low | 163 Ų | 163 | 83.6 Ų | 83.6 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | trans | -94.2 | 89.8 | 179.7 | -68.3 | -175.3 | 179.3 | -146.6 | -0.1 | 110.3 | G180 | G180-R182 PolarHBondContact O-N 3.44Š| ||
| 183 | Y | 69.1 | Low | 59.5 | Low | 9 Ų | 9 | 83.6 Ų | 83.6 | 4% | 0.035 | 41% | 0.411 | C | S | . | . | trans | -61.1 | 146.4 | 164.5 | -54.3 | -77.4 | 0 | 0 | 0 | 109.6 | K181 L189 H192 I290 F309 | K181-Y183 HydrophobicContact CB-CE2 3.93Å; K181-Y183 PolarHBondContact O-N 3.28Å; Y183-L189 VanDerWaalsContact O-CD1 3.26Å; Y183-L189 WeakPolarHBondContact O-CD1 3.36Å; Y183-L189 VanDerWaalsContact O-CD2 3.3Å; Y183-L189 WeakPolarHBondContact O-CD2 3.41Å; Y183-L189 WeakPolarHBondContact O-CG 3.38Å; Y183-H192 HydrophobicContact CD2-CB 3.37Å; Y183-H192 AromaticContact CD2-CG 3.61Å; Y183-H192 HydrophobicContact CE2-CB 3.41Å; Y183-H192 VanDerWaalsContact CE2-CB 3.41Å; Y183-H192 AromaticContact CE2-CD2 3.39Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; Y183-H192 AromaticContact CE2-CG 3.32Å; Y183-H192 AromaticContact CE2-ND1 3.97Å; Y183-I290 HydrophobicContact CD1-CD1 3.69Å; Y183-I290 HydrophobicContact CD1-CG1 3.78Å; Y183-I290 HydrophobicContact CD2-CD1 3.44Å; Y183-I290 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I290 HydrophobicContact CD2-CG1 4.31Å; Y183-I290 HydrophobicContact CE1-CD1 3.61Å; Y183-I290 HydrophobicContact CE1-CG1 3.35Å; Y183-I290 HydrophobicContact CE2-CD1 3.37Å; Y183-I290 HydrophobicContact CE2-CG1 3.95Å; Y183-I290 HydrophobicContact CG-CD1 3.57Å; Y183-I290 HydrophobicContact CG-CG1 4.21Å; Y183-I290 VanDerWaalsContact CZ-CD1 3.41Å; Y183-I290 VanDerWaalsContact CZ-CG1 3.42Å; Y183-F309 HydrophobicContact CD1-CE1 4.15Å; Y183-F309 AromaticContact CD1-CE2 3.71Å; Y183-F309 HydrophobicContact CD1-CE2 3.71Å; Y183-F309 AromaticContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CE1-CE2 4.34Å; Y183-F309 AromaticContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CG-CE2 4.27Å; Y183-F309 HydrophobicContact CG-CZ 4.24Å | ||
| 184 | K | 68.7 | Low | 60.9 | Low | 59 Ų | 59 | 75.9 Ų | 75.9 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -99.3 | -15.1 | -166.5 | -78.3 | 165.5 | 170.4 | 176.8 | 0 | 114.6 | D305 L308 M319 P329 | K184-D305 WeakPolarHBondContact CE-O 3.35Å; K184-D305 PolarHBondContact NZ-O 3.39Å; K184-L308 HydrophobicContact CB-CD2 3.5Å; K184-L308 VanDerWaalsContact CB-CD2 3.5Å; K184-L308 HydrophobicContact CD-CD2 3.56Å; K184-L308 HydrophobicContact CG-CD2 4.11Å; K184-M319 HydrophobicContact CD-SD 3.8Å; K184-M319 PolarHBondContact NZ-SD 3.41Å; K184-P329 HydrophobicContact CB-CB 4.09Å; K184-P329 HydrophobicContact CD-CB 3.81Å; K184-P329 HydrophobicContact CD-CG 4.28Å; K184-P329 HydrophobicContact CG-CB 3.87Å; K184-P329 HydrophobicContact CG-CG 4.36Å |
| 185 | N | 70.2 | Confident | 62.2 | Low | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -107 | 159.1 | 176 | 54.4 | 45.9 | 0 | 0 | 0 | 111.9 | G188 L189 F309 D311 | N185-G188 WeakPolarHBondContact OD1-CA 3.3Å; N185-G188 PolarHBondContact OD1-N 3.27Å; N185-L189 VanDerWaalsContact O-CB 3.28Å; N185-L189 WeakPolarHBondContact O-CB 3.34Å; N185-L189 WeakPolarHBondContact O-CD1 3.39Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.49Å; N185-F309 WeakPolarHBondContact ND2-CA 2.99Å; N185-F309 WeakPolarHBondContact ND2-CB 3.47Å; N185-F309 VanDerWaalsContact ND2-CG 3.34Å; N185-F309 WeakPolarHBondContact ND2-CG 3.19Å; N185-F309 PolarHBondContact ND2-N 3.45Å; N185-F309 PolarHBondContact ND2-O 3.48Å; N185-D311 WeakPolarHBondContact CB-OD1 3.42Å |
| 186 | R | 70.8 | Confident | 63.5 | Low | 209 Ų | 209 | 66.4 Ų | 66.4 | 79% | 0.789 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60 | -45.4 | -178.3 | -163.4 | 75.6 | 170.3 | -156.2 | -1.1 | 113 | L189 S190 | R186-L189 PolarHBondContact O-N 3.35Å; R186-S190 PolarHBondContact O-N 3.09Å |
| 187 | P | 69.6 | Low | 64 | Low | 14 Ų | 14 | 61.6 Ų | 61.6 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | -178.9 | -22.2 | 36.1 | 0 | 0 | 0 | 112.4 | S190 Y191 M278 D311 | P187-S190 PolarHBondContact O-N 3.38Å; P187-Y191 WeakPolarHBondContact O-CB 3.27Å; P187-Y191 PolarHBondContact O-N 2.85Å; P187-M278 HydrophobicContact CB-CE 4.14Å; P187-M278 HydrophobicContact CG-CE 4.21Å; P187-D311 WeakPolarHBondContact CD-OD1 3.32Å |
| 188 | G | 71.6 | Confident | 64.2 | Low | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N185 Y191 H192 I290 | N185-G188 WeakPolarHBondContact OD1-CA 3.3Å; N185-G188 PolarHBondContact OD1-N 3.27Å; G188-Y191 PolarHBondContact O-N 3.41Å; G188-H192 WeakPolarHBondContact O-CB 3.36Å; G188-H192 PolarHBondContact O-N 3.18Å; G188-I290 WeakPolarHBondContact O-CD1 3.31Å |
| 189 | L | 73.3 | Confident | 63.9 | Low | 46 Ų | 46 | 60.4 Ų | 60.4 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -50.2 | 172.8 | -84.5 | 156.3 | 0 | 0 | 0 | 111.6 | Y183 N185 R186 Y191 H192 Y193 | Y183-L189 VanDerWaalsContact O-CD1 3.26Å; Y183-L189 WeakPolarHBondContact O-CD1 3.36Å; Y183-L189 VanDerWaalsContact O-CD2 3.3Å; Y183-L189 WeakPolarHBondContact O-CD2 3.41Å; Y183-L189 WeakPolarHBondContact O-CG 3.38Å; N185-L189 VanDerWaalsContact O-CB 3.28Å; N185-L189 WeakPolarHBondContact O-CB 3.34Å; N185-L189 WeakPolarHBondContact O-CD1 3.39Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 3.49Å; R186-L189 PolarHBondContact O-N 3.35Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; L189-Y191 PolarHBondContact O-N 3.11Å; L189-H192 PolarHBondContact O-N 3.48Å; L189-Y193 HydrophobicContact CB-CD2 4.4Å; L189-Y193 HydrophobicContact CB-CE2 4.29Å; L189-Y193 HydrophobicContact CD2-CE2 3.88Å; L189-Y193 WeakPolarHBondContact O-CD2 3.37Å; L189-Y193 PolarHBondContact O-N 3.15Å |
| 190 | S | 71.6 | Confident | 63.4 | Low | 24 Ų | 24 | 67 Ų | 67 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | -178.6 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | R186 P187 H192 Y193 T194 Q273 | R186-S190 PolarHBondContact O-N 3.09Å; P187-S190 PolarHBondContact O-N 3.38Å; S190-H192 VanDerWaalsContact C-N 3.34Å; S190-H192 PolarHBondContact O-N 3.34Å; S190-Y193 PolarHBondContact O-N 2.91Å; S190-T194 PolarHBondContact O-N 3.26Å; S190-T194 VanDerWaalsContact O-N 3.11Å; S190-T194 PolarHBondContact O-OG1 3.5Å; S190-Q273 PolarHBondContact OG-NE2 3.22Å; S190-Q273 PolarHBondContact OG-OE1 3.49Å |
| 191 | Y | 71.1 | Confident | 62.7 | Low | 14 Ų | 14 | 72.8 Ų | 72.8 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 176.3 | -176.5 | -73.6 | 0 | 0 | 0 | 110.5 | P187 G188 L189 Y193 T194 H195 F240 L272 I290 | P187-Y191 WeakPolarHBondContact O-CB 3.27Å; P187-Y191 PolarHBondContact O-N 2.85Å; G188-Y191 PolarHBondContact O-N 3.41Å; L189-Y191 VanDerWaalsContact C-N 3.33Å; L189-Y191 PolarHBondContact O-N 3.11Å; Y191-Y193 PolarHBondContact O-N 3.42Å; Y191-T194 WeakPolarHBondContact CA-OG1 3.39Å; Y191-T194 PolarHBondContact O-N 3.47Å; Y191-T194 PolarHBondContact O-OG1 3.38Å; Y191-H195 HydrophobicContact CD1-CB 4.44Å; Y191-H195 AromaticContact CD1-CD2 3.37Å; Y191-H195 WeakPolarHBondContact CD1-CD2 3.46Å; Y191-H195 AromaticContact CD2-CD2 3.78Å; Y191-H195 AromaticContact CD2-NE2 3.89Å; Y191-H195 HydrophobicContact CE1-CB 4.14Å; Y191-H195 AromaticContact CE1-CD2 3.09Å; Y191-H195 WeakPolarHBondContact CE1-CD2 3.48Å; Y191-H195 AromaticContact CE1-CG 3.72Å; Y191-H195 AromaticContact CE1-NE2 3.72Å; Y191-H195 AromaticContact CE2-CD2 3.5Å; Y191-H195 AromaticContact CE2-NE2 3.31Å; Y191-H195 VanDerWaalsContact CE2-NE2 3.31Å; Y191-H195 WeakPolarHBondContact CE2-NE2 3.25Å; Y191-H195 AromaticContact CG-CD2 3.7Å; Y191-H195 AromaticContact CZ-CD2 3.15Å; Y191-H195 AromaticContact CZ-CG 3.97Å; Y191-H195 AromaticContact CZ-NE2 3.22Å; Y191-H195 WeakPolarHBondContact O-CB 3.4Å; Y191-H195 PolarHBondContact O-CD2 2.93Å; Y191-H195 PolarHBondContact O-N 3.31Å; Y191-H195 PolarHBondContact OH-NE2 3.42Å; Y191-F240 HydrophobicContact CD2-CE1 4.49Å; Y191-F240 HydrophobicContact CD2-CE2 4.2Å; Y191-F240 AromaticContact CD2-CZ 3.5Å; Y191-F240 HydrophobicContact CD2-CZ 3.5Å; Y191-F240 VanDerWaalsContact CD2-CZ 3.5Å; Y191-F240 AromaticContact CE2-CE2 3.84Å; Y191-F240 HydrophobicContact CE2-CE2 3.84Å; Y191-F240 AromaticContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CG-CZ 4.33Å; Y191-L272 HydrophobicContact CD2-CD2 3.33Å; Y191-L272 HydrophobicContact CE2-CD2 3.23Å; Y191-I290 HydrophobicContact CD1-CB 3.41Å; Y191-I290 VanDerWaalsContact CD1-CB 3.41Å; Y191-I290 HydrophobicContact CD1-CD1 3.9Å; Y191-I290 HydrophobicContact CD1-CG1 4.26Å; Y191-I290 HydrophobicContact CD1-CG2 3.27Å; Y191-I290 HydrophobicContact CE1-CB 3.6Å; Y191-I290 HydrophobicContact CE1-CG2 3.21Å; Y191-I290 HydrophobicContact CG-CB 4.27Å; Y191-I290 HydrophobicContact CG-CD1 4.44Å; Y191-I290 HydrophobicContact CG-CG2 4.5Å |
| 192 | H | 73.8 | Confident | 61.9 | Low | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.019 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 178.4 | 178 | -122.6 | 0 | 0 | 0 | 112.9 | C179 K181 Y183 G188 L189 S190 T194 H195 T196 I290 | C179-H192 PolarHBondContact SG-CE1 2.89Å; C179-H192 PolarHBondContact SG-NE2 3.32Å; K181-H192 PolarHBondContact O-CE1 3.21Å; K181-H192 PolarHBondContact O-ND1 2.93Å; Y183-H192 HydrophobicContact CD2-CB 3.37Å; Y183-H192 AromaticContact CD2-CG 3.61Å; Y183-H192 HydrophobicContact CE2-CB 3.41Å; Y183-H192 VanDerWaalsContact CE2-CB 3.41Å; Y183-H192 AromaticContact CE2-CD2 3.39Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; Y183-H192 AromaticContact CE2-CG 3.32Å; Y183-H192 AromaticContact CE2-ND1 3.97Å; G188-H192 WeakPolarHBondContact O-CB 3.36Å; G188-H192 PolarHBondContact O-N 3.18Å; L189-H192 PolarHBondContact O-N 3.48Å; S190-H192 VanDerWaalsContact C-N 3.34Å; S190-H192 PolarHBondContact O-N 3.34Å; H192-T194 PolarHBondContact O-N 3.06Å; H192-H195 PolarHBondContact O-N 3.06Å; H192-H195 VanDerWaalsContact O-N 3.07Å; H192-T196 PolarHBondContact CD2-OG1 2.97Å; H192-T196 PolarHBondContact NE2-OG1 2.66Å; H192-T196 PolarHBondContact O-N 3.31Å; H192-T196 PolarHBondContact O-OG1 2.8Å; H192-I290 HydrophobicContact CB-CD1 3.84Å |
| 193 | Y | 70.2 | Confident | 60.6 | Low | 113 Ų | 113 | 74 Ų | 74 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.3 | -43.8 | 178.6 | -82.3 | -62.6 | 0 | 0 | 0 | 111.5 | L189 S190 Y191 H195 | L189-Y193 HydrophobicContact CB-CD2 4.4Å; L189-Y193 HydrophobicContact CB-CE2 4.29Å; L189-Y193 HydrophobicContact CD2-CE2 3.88Å; L189-Y193 WeakPolarHBondContact O-CD2 3.37Å; L189-Y193 PolarHBondContact O-N 3.15Å; S190-Y193 PolarHBondContact O-N 2.91Å; Y191-Y193 PolarHBondContact O-N 3.42Å; Y193-H195 PolarHBondContact O-N 2.88Å |
| 194 | T | 66.1 | Low | 59.1 | Low | 41 Ų | 41 | 83.2 Ų | 83.2 | 25% | 0.252 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73.2 | -23.3 | 179.3 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | S190 Y191 H192 L198 F240 | S190-T194 PolarHBondContact O-N 3.26Å; S190-T194 VanDerWaalsContact O-N 3.11Å; S190-T194 PolarHBondContact O-OG1 3.5Å; Y191-T194 WeakPolarHBondContact CA-OG1 3.39Å; Y191-T194 PolarHBondContact O-N 3.47Å; Y191-T194 PolarHBondContact O-OG1 3.38Å; H192-T194 PolarHBondContact O-N 3.06Å; T194-L198 WeakPolarHBondContact O-CD1 3.44Å; T194-L198 WeakPolarHBondContact O-CG 3.43Å; T194-F240 HydrophobicContact CG2-CE1 4.38Å; T194-F240 WeakPolarHBondContact OG1-CE1 3.36Å |
| 195 | H | 63.4 | Low | 57.9 | Low | 48 Ų | 48 | 89.8 Ų | 89.8 | 22% | 0.222 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -104.7 | -16 | -172.5 | -78.7 | -66.9 | 0 | 0 | 0 | 115.2 | Y191 H192 Y193 F240 | Y191-H195 HydrophobicContact CD1-CB 4.44Å; Y191-H195 AromaticContact CD1-CD2 3.37Å; Y191-H195 WeakPolarHBondContact CD1-CD2 3.46Å; Y191-H195 AromaticContact CD2-CD2 3.78Å; Y191-H195 AromaticContact CD2-NE2 3.89Å; Y191-H195 HydrophobicContact CE1-CB 4.14Å; Y191-H195 AromaticContact CE1-CD2 3.09Å; Y191-H195 WeakPolarHBondContact CE1-CD2 3.48Å; Y191-H195 AromaticContact CE1-CG 3.72Å; Y191-H195 AromaticContact CE1-NE2 3.72Å; Y191-H195 AromaticContact CE2-CD2 3.5Å; Y191-H195 AromaticContact CE2-NE2 3.31Å; Y191-H195 VanDerWaalsContact CE2-NE2 3.31Å; Y191-H195 WeakPolarHBondContact CE2-NE2 3.25Å; Y191-H195 AromaticContact CG-CD2 3.7Å; Y191-H195 AromaticContact CZ-CD2 3.15Å; Y191-H195 AromaticContact CZ-CG 3.97Å; Y191-H195 AromaticContact CZ-NE2 3.22Å; Y191-H195 WeakPolarHBondContact O-CB 3.4Å; Y191-H195 PolarHBondContact O-CD2 2.93Å; Y191-H195 PolarHBondContact O-N 3.31Å; Y191-H195 PolarHBondContact OH-NE2 3.42Å; H192-H195 PolarHBondContact O-N 3.06Å; H192-H195 VanDerWaalsContact O-N 3.07Å; Y193-H195 PolarHBondContact O-N 2.88Å; H195-F240 AromaticContact CD2-CE1 3.77Å; H195-F240 AromaticContact CD2-CZ 3.57Å; H195-F240 AromaticContact CE1-CE2 3.81Å; H195-F240 AromaticContact CE1-CZ 3.84Å; H195-F240 AromaticContact NE2-CD1 3.86Å; H195-F240 AromaticContact NE2-CD2 3.8Å; H195-F240 AromaticContact NE2-CE1 3.25Å; H195-F240 WeakPolarHBondContact NE2-CE1 3.48Å; H195-F240 AromaticContact NE2-CE2 3.11Å; H195-F240 WeakPolarHBondContact NE2-CE2 3.42Å; H195-F240 AromaticContact NE2-CZ 2.82Å; H195-F240 WeakPolarHBondContact NE2-CZ 3.37Å |
| 196 | T | 64.3 | Low | 56.3 | Low | 45 Ų | 45 | 98.4 Ų | 98.4 | 28% | 0.276 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -111.8 | -23.2 | -177.1 | -50 | 0 | 0 | 0 | 0 | 112.9 | H192 | H192-T196 PolarHBondContact CD2-OG1 2.97Å; H192-T196 PolarHBondContact NE2-OG1 2.66Å; H192-T196 PolarHBondContact O-N 3.31Å; H192-T196 PolarHBondContact O-OG1 2.8Å |
| 197 | H | 52.6 | Low | 54.9 | Low | 63 Ų | 63 | 97.3 Ų | 97.3 | 29% | 0.292 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -104.2 | -2.9 | -176.7 | -71.3 | -73.3 | 0 | 0 | 0 | 115.3 | C179 A199 | C179-H197 VanDerWaalsContact CB-NE2 3.27Å; C179-H197 WeakPolarHBondContact CB-NE2 3.28Å; H197-A199 VanDerWaalsContact C-N 3.29Å; H197-A199 PolarHBondContact O-N 2.89Å |
| 198 | L | 52.9 | Low | 53.1 | Low | 148 Ų | 148 | 103.6 Ų | 103.6 | 78% | 0.775 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 5.8 | 176.5 | -68.7 | -177.5 | 0 | 0 | 0 | 114.3 | T194 | T194-L198 WeakPolarHBondContact O-CD1 3.44Å; T194-L198 WeakPolarHBondContact O-CG 3.43Å |
| 199 | A | 42.3 | Very low | 51.4 | Low | 86 Ų | 86 | 107.3 Ų | 107.3 | 71% | 0.711 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 5.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H197 | H197-A199 VanDerWaalsContact C-N 3.29Å; H197-A199 PolarHBondContact O-N 2.89Å |
| 200 | E | 39.2 | Very low | 49.5 | Very low | 167 Ų | 167 | 114 Ų | 114 | 78% | 0.78 | 59% | 0.589 | S | S | * | * | trans | -119.9 | 7.3 | -176.7 | -64.8 | -168.9 | 164.8 | 0 | 0 | 115.6 | E202 | E200-E202 VanDerWaalsContact C-N 3.33Å; E200-E202 PolarHBondContact O-N 3.41Å | ||
| 201 | E | 38.2 | Very low | 47.6 | Very low | 192 Ų | 192 | 119.2 Ų | 119.2 | 90% | 0.897 | 62% | 0.62 | S | S | * | * | trans | -89.3 | 72.5 | 163.1 | -82 | -158 | 151.3 | 0 | 0 | 110.4 | ||||
| 202 | E | 41.8 | Very low | 45.7 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 89% | 0.888 | 65% | 0.652 | S | S | * | * | trans | -72.9 | 115.4 | 149.2 | -65.4 | -177.7 | 162.6 | 0 | 0 | 105.7 | E200 | E200-E202 VanDerWaalsContact C-N 3.33Å; E200-E202 PolarHBondContact O-N 3.41Å | ||
| 203 | G | 32.3 | Very low | 43.9 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | 87.2 | 70.6 | 51 | 0 | 0 | 0 | 0 | 0 | 108.5 | E205 | G203-E205 PolarHBondContact O-N 3.15Š| |||
| 204 | E | 36.3 | Very low | 42.2 | Very low | 202 Ų | 202 | 128.5 Ų | 128.5 | 94% | 0.944 | 71% | 0.707 | S | S | * | * | trans | -74.4 | 118.7 | 166.1 | 18.1 | -176 | 169.5 | 0 | 0 | 108.7 | ||||
| 205 | E | 44.2 | Very low | 40.5 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | trans | -84 | 132.3 | -173 | -152.1 | -174 | -167.7 | 0 | 0 | 111.2 | G203 | G203-E205 PolarHBondContact O-N 3.15Š| ||
| 206 | E | 36.6 | Very low | 39.5 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -144.3 | 127.5 | 151.1 | -160.2 | 174.4 | -176.2 | 0 | 0 | 111.4 | ||||
| 207 | K | 41.1 | Very low | 38.2 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | -37.2 | 156.1 | 176.5 | -77.3 | 166.7 | 162.6 | 176.6 | 0 | 116.1 | ||||
| 208 | D | 32.5 | Very low | 37.3 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | cis | -170.6 | 157.1 | 45.9 | -139.8 | -38.3 | 0 | 0 | 0 | 112.7 | ||||
| 209 | A | 36.7 | Very low | 36.9 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | trans | 56.4 | 125.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 210 | E | 32.9 | Very low | 37 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 62.6 | 106 | 146.3 | -78.3 | -175.2 | 109.4 | 0 | 0 | 122.1 | ||||
| 211 | T | 31.1 | Very low | 37 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | 166.1 | 126.6 | 100.2 | -50.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 212 | A | 32.5 | Very low | 37.8 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 152.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 213 | P | 34.5 | Very low | 38.6 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | -127 | 149.7 | 87.5 | 27.4 | -12.7 | 0 | 0 | 0 | 113 | S215 | P213-S215 PolarHBondContact O-N 3.23Š| |||
| 214 | S | 34.1 | Very low | 40.2 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | -42 | 111.1 | 178.6 | 46.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 215 | S | 30.8 | Very low | 41.9 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -89.8 | 122.1 | 157.8 | -165.2 | 0 | 0 | 0 | 0 | 108.1 | P213 | P213-S215 PolarHBondContact O-N 3.23Š| ||
| 216 | P | 43.6 | Very low | 43.6 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | trans | -85.1 | 151.3 | 169.2 | 35.8 | -29.1 | 0 | 0 | 0 | 109.2 | ||||
| 217 | H | 36.3 | Very low | 45.5 | Very low | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.806 | 69% | 0.691 | S | S | * | * | trans | 96.4 | 74.9 | 165.1 | -48.5 | -64.5 | 0 | 0 | 0 | 117.2 | S219 | H217-S219 PolarHBondContact O-N 3.44Š| ||
| 218 | S | 34.4 | Very low | 47 | Very low | 99 Ų | 99 | 119 Ų | 119 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | -8.3 | 107.9 | 122.8 | 177.5 | 0 | 0 | 0 | 0 | 113.5 | D220 | S218-D220 PolarHBondContact O-N 2.98Š| |||
| 219 | S | 42.8 | Very low | 49.1 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -75.6 | 48.3 | 170.7 | 53 | 0 | 0 | 0 | 0 | 111.5 | H217 | H217-S219 PolarHBondContact O-N 3.44Š|
| 220 | D | 44.2 | Very low | 51 | Low | 116 Ų | 116 | 117 Ų | 117 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | trans | -149.1 | 66.6 | -174.3 | -124.5 | -28.7 | 0 | 0 | 0 | 110.9 | S218 | S218-D220 PolarHBondContact O-N 2.98Š| ||
| 221 | N | 39.5 | Very low | 53.4 | Low | 138 Ų | 138 | 112.3 Ų | 112.3 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | trans | -157.6 | 92.4 | 159.3 | -91.4 | -57.1 | 0 | 0 | 0 | 109.3 | K223 | N221-K223 PolarHBondContact O-N 3.3Š| ||
| 222 | H | 54.5 | Low | 56.2 | Low | 158 Ų | 158 | 108.3 Ų | 108.3 | 73% | 0.731 | 64% | 0.64 | S | S | * | * | trans | -63 | 23.9 | 165.5 | -74.6 | -85.5 | 0 | 0 | 0 | 113.8 | P224 R265 | H222-P224 WeakPolarHBondContact O-CD 3.47Å; H222-R265 PolarHBondContact CE1-NH2 2.78Å; H222-R265 VanDerWaalsContact CE1-NH2 3.28Å; H222-R265 PolarHBondContact ND1-NH2 3.27Å; H222-R265 VanDerWaalsContact ND1-NH2 3.12Å | ||
| 223 | K | 58.9 | Low | 58.9 | Low | 161 Ų | 161 | 108 Ų | 108 | 70% | 0.7 | 63% | 0.625 | S | S | * | * | trans | -99.4 | 116.2 | -174.5 | -154.9 | 166.6 | -177.2 | -178.4 | 0 | 108.3 | N221 Q225 | N221-K223 PolarHBondContact O-N 3.3Å; K223-Q225 PolarHBondContact O-N 3.42Å | ||
| 224 | P | 67.7 | Low | 61.7 | Low | 40 Ų | 40 | 105.7 Ų | 105.7 | 26% | 0.26 | 61% | 0.61 | S | S | . | * | trans | -53.4 | 131.2 | 176.6 | 12.3 | -23.4 | 0 | 0 | 0 | 110.2 | H222 K226 I232 | H222-P224 WeakPolarHBondContact O-CD 3.47Å; P224-K226 PolarHBondContact O-N 3.2Å; P224-K226 VanDerWaalsContact O-N 3.15Å; P224-I232 HydrophobicContact CB-CG1 4.48Å; P224-I232 HydrophobicContact CB-CG2 4.49Å | ||
| 225 | Q | 71.4 | Confident | 64.5 | Low | 132 Ų | 132 | 101.8 Ų | 101.8 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | trans | -65.3 | 112.1 | 167.4 | -68 | -68.3 | -22.2 | 0 | 0 | 106.9 | K223 I233 | K223-Q225 PolarHBondContact O-N 3.42Å; Q225-I233 HydrophobicContact CB-CB 4.24Å; Q225-I233 PolarHBondContact O-N 3.49Å | ||
| 226 | K | 78.6 | Confident | 67.5 | Low | 134 Ų | 134 | 102.4 Ų | 102.4 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | B | Isolated β-bridge | trans | -104 | 127.3 | 177.9 | -71.7 | -174.1 | 179.4 | -165.4 | 0 | 108.8 | P224 T231 | P224-K226 PolarHBondContact O-N 3.2Å; P224-K226 VanDerWaalsContact O-N 3.15Å; K226-T231 WeakPolarHBondContact CA-O 3.43Å |
| 227 | G | 78 | Confident | 69.8 | Low | 21 Ų | 21 | 102.8 Ų | 102.8 | 22% | 0.216 | 57% | 0.565 | C | S | . | * | trans | -64.4 | 172 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D229 G230 T231 | G227-D229 PolarHBondContact O-N 2.77Å; G227-G230 PolarHBondContact O-N 3.23Å; G227-T231 PolarHBondContact N-O 3.4Å | ||
| 228 | S | 72.3 | Confident | 72.5 | Confident | 122 Ų | 122 | 94.5 Ų | 94.5 | 85% | 0.853 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -31.2 | 175.3 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | G230 | S228-G230 VanDerWaalsContact C-N 3.33Š|
| 229 | D | 76.1 | Confident | 75.2 | Confident | 138 Ų | 138 | 91.6 Ų | 91.6 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 6.1 | -173.5 | -57.9 | -6 | 0 | 0 | 0 | 112.2 | G227 T231 | G227-D229 PolarHBondContact O-N 2.77Å; D229-T231 PolarHBondContact O-N 2.81Å |
| 230 | G | 77.2 | Confident | 77.5 | Confident | 46 Ų | 46 | 87.4 Ų | 87.4 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 76.4 | 1.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G227 S228 | G227-G230 PolarHBondContact O-N 3.23Å; S228-G230 VanDerWaalsContact C-N 3.33Å |
| 231 | T | 83.9 | Confident | 79.7 | Confident | 88 Ų | 88 | 82.6 Ų | 82.6 | 54% | 0.54 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 144.3 | 170.7 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | K226 G227 D229 | K226-T231 WeakPolarHBondContact CA-O 3.43Å; G227-T231 PolarHBondContact N-O 3.4Å; D229-T231 PolarHBondContact O-N 2.81Å |
| 232 | I | 88.5 | Confident | 82.2 | Confident | 50 Ų | 50 | 81.3 Ų | 81.3 | 26% | 0.256 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -83.2 | 124.7 | 179.1 | -69.3 | 146.3 | 0 | 0 | 0 | 107.4 | P224 P234 S261 D262 G264 | P224-I232 HydrophobicContact CB-CG1 4.48Å; P224-I232 HydrophobicContact CB-CG2 4.49Å; I232-P234 WeakPolarHBondContact O-CD 3.35Å; I232-S261 WeakPolarHBondContact CD1-O 3.34Å; I232-D262 VanDerWaalsContact CD1-O 3.27Å; I232-D262 WeakPolarHBondContact CD1-O 3.43Å; I232-G264 VanDerWaalsContact CG2-N 3.28Å |
| 233 | I | 89.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 42% | 0.415 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 120.5 | -179.2 | -60.8 | 171.3 | 0 | 0 | 0 | 107.6 | Q225 | Q225-I233 HydrophobicContact CB-CB 4.24Å; Q225-I233 PolarHBondContact O-N 3.49Å |
| 234 | P | 92.7 | Very high | 85.5 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 143.3 | 171.8 | -24.5 | 36.9 | 0 | 0 | 0 | 111.9 | I232 G264 | I232-P234 WeakPolarHBondContact O-CD 3.35Å; P234-G264 CarbonylContact C-O 3.56Å |
| 235 | N | 93.1 | Very high | 86.7 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -69 | 139.3 | 168.3 | -69 | -2.7 | 0 | 0 | 0 | 109 | Y237 G264 S266 | N235-Y237 HydrophobicContact CB-CD1 4.19Å; N235-Y237 HydrophobicContact CB-CE1 4.04Å; N235-Y237 PolarHBondContact ND2-OH 3.44Å; N235-G264 PolarHBondContact N-O 3.01Å; N235-S266 PolarHBondContact N-OG 2.85Å; N235-S266 VanDerWaalsContact O-CB 3.25Å; N235-S266 WeakPolarHBondContact O-CB 3.5Å; N235-S266 PolarHBondContact O-OG 3.15Å |
| 236 | D | 93.3 | Very high | 87.6 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 70% | 0.695 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -85 | 1.7 | 175.5 | 60.4 | -17.1 | 0 | 0 | 0 | 113 | D244 L257 | D236-D244 WeakPolarHBondContact O-CA 3.26Å; D236-L257 VanDerWaalsContact C-CD1 3.48Å; D236-L257 WeakPolarHBondContact O-CD1 3.47Å |
| 237 | Y | 93 | Very high | 88.2 | Confident | 96 Ų | 96 | 67.9 Ų | 67.9 | 38% | 0.376 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -128.7 | 154.1 | 178.7 | 69.2 | -89.7 | 0 | 0 | 0 | 111.8 | N235 D239 L242 G243 S266 | N235-Y237 HydrophobicContact CB-CD1 4.19Å; N235-Y237 HydrophobicContact CB-CE1 4.04Å; N235-Y237 PolarHBondContact ND2-OH 3.44Å; Y237-D239 VanDerWaalsContact CE2-OD1 3.32Å; Y237-D239 WeakPolarHBondContact CE2-OD1 3.49Å; Y237-L242 HydrophobicContact CD2-CD2 4.11Å; Y237-L242 HydrophobicContact CE2-CD2 4.27Å; Y237-G243 CarbonylContact C-O 3.33Å; Y237-G243 WeakPolarHBondContact CA-O 3.28Å; Y237-S266 WeakPolarHBondContact O-CB 2.82Å |
| 238 | C | 93.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 124.5 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | F240 C241 L242 G243 L257 S266 H268 | C238-F240 PolarHBondContact O-N 3.43Å; C238-F240 PolarHBondContact SG-N 3.01Å; C238-C241 PolarHBondContact O-N 2.7Å; C238-L242 VanDerWaalsContact O-CA 3.22Å; C238-L242 WeakPolarHBondContact O-CA 3.23Å; C238-L242 PolarHBondContact O-N 2.88Å; C238-G243 WeakPolarHBondContact CB-O 3.39Å; C238-G243 PolarHBondContact N-O 2.8Å; C238-L257 HydrophobicContact CB-CD2 3.63Å; C238-S266 WeakPolarHBondContact CA-O 3.28Å; C238-H268 WeakPolarHBondContact CB-CE1 3.17Å; C238-H268 WeakPolarHBondContact CB-ND1 3.04Å; C238-H268 PolarHBondContact SG-N 2.78Å; C238-H268 VanDerWaalsContact SG-N 3.38Å; C238-H268 PolarHBondContact SG-ND1 3.34Å |
| 239 | D | 90.9 | Very high | 89.6 | Confident | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14.7 | 179.3 | -76.5 | -11.6 | 0 | 0 | 0 | 113.8 | Y237 R265 S266 | Y237-D239 VanDerWaalsContact CE2-OD1 3.32Å; Y237-D239 WeakPolarHBondContact CE2-OD1 3.49Å; D239-R265 VanDerWaalsContact OD2-CB 3.25Å; D239-R265 WeakPolarHBondContact OD2-CB 2.95Å; D239-R265 VanDerWaalsContact OD2-CD 3.31Å; D239-R265 WeakPolarHBondContact OD2-CD 3.31Å; D239-R265 VanDerWaalsContact OD2-CG 3.22Å; D239-R265 WeakPolarHBondContact OD2-CG 3.11Å; D239-S266 PolarHBondContact N-O 3.31Å |
| 240 | F | 90.1 | Very high | 90.1 | Very high | 38 Ų | 38 | 69.3 Ų | 69.3 | 17% | 0.167 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -35.9 | -177.5 | -63.8 | -100.4 | 0 | 0 | 0 | 114.5 | Y191 T194 H195 C238 C271 L272 | Y191-F240 HydrophobicContact CD2-CE1 4.49Å; Y191-F240 HydrophobicContact CD2-CE2 4.2Å; Y191-F240 AromaticContact CD2-CZ 3.5Å; Y191-F240 HydrophobicContact CD2-CZ 3.5Å; Y191-F240 VanDerWaalsContact CD2-CZ 3.5Å; Y191-F240 AromaticContact CE2-CE2 3.84Å; Y191-F240 HydrophobicContact CE2-CE2 3.84Å; Y191-F240 AromaticContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CE2-CZ 3.56Å; Y191-F240 HydrophobicContact CG-CZ 4.33Å; T194-F240 HydrophobicContact CG2-CE1 4.38Å; T194-F240 WeakPolarHBondContact OG1-CE1 3.36Å; H195-F240 AromaticContact CD2-CE1 3.77Å; H195-F240 AromaticContact CD2-CZ 3.57Å; H195-F240 AromaticContact CE1-CE2 3.81Å; H195-F240 AromaticContact CE1-CZ 3.84Å; H195-F240 AromaticContact NE2-CD1 3.86Å; H195-F240 AromaticContact NE2-CD2 3.8Å; H195-F240 AromaticContact NE2-CE1 3.25Å; H195-F240 WeakPolarHBondContact NE2-CE1 3.48Å; H195-F240 AromaticContact NE2-CE2 3.11Å; H195-F240 WeakPolarHBondContact NE2-CE2 3.42Å; H195-F240 AromaticContact NE2-CZ 2.82Å; H195-F240 WeakPolarHBondContact NE2-CZ 3.37Å; C238-F240 PolarHBondContact O-N 3.43Å; C238-F240 PolarHBondContact SG-N 3.01Å; F240-C271 HydrophobicContact CB-CB 3.79Å; F240-C271 HydrophobicContact CD2-CB 3.88Å; F240-C271 HydrophobicContact CG-CB 3.86Å; F240-L272 HydrophobicContact CE2-CD2 3.36Å; F240-L272 HydrophobicContact CE2-CG 3.96Å; F240-L272 HydrophobicContact CZ-CD2 3.61Å; F240-L272 HydrophobicContact CZ-CG 4.35Å |
| 241 | C | 91.8 | Very high | 90.6 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 10% | 0.101 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -6.7 | -172.4 | 79.6 | 0 | 0 | 0 | 0 | 112.3 | C238 G243 R249 K250 H268 | C238-C241 PolarHBondContact O-N 2.7Å; C241-G243 PolarHBondContact O-N 2.77Å; C241-G243 VanDerWaalsContact O-N 3.09Å; C241-G243 PolarHBondContact SG-N 2.98Å; C241-G243 VanDerWaalsContact SG-N 3.35Å; C241-R249 HydrophobicContact CB-CB 4.11Å; C241-R249 VanDerWaalsContact O-CD 3.28Å; C241-R249 WeakPolarHBondContact O-CD 3.38Å; C241-K250 HydrophobicContact CB-CG 3.99Å; C241-H268 PolarHBondContact SG-CE1 3.24Å; C241-H268 PolarHBondContact SG-ND1 2.87Å |
| 242 | L | 91.4 | Very high | 90.8 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 58% | 0.576 | 37% | 0.368 | S | S | * | . | trans | 54.5 | 23.1 | -175.3 | -49.7 | 177.9 | 0 | 0 | 0 | 112.9 | Y237 C238 | Y237-L242 HydrophobicContact CD2-CD2 4.11Å; Y237-L242 HydrophobicContact CE2-CD2 4.27Å; C238-L242 VanDerWaalsContact O-CA 3.22Å; C238-L242 WeakPolarHBondContact O-CA 3.23Å; C238-L242 PolarHBondContact O-N 2.88Å | ||
| 243 | G | 91.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 73.5 Ų | 73.5 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | trans | -90 | 153.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y237 C238 C241 A247 | Y237-G243 CarbonylContact C-O 3.33Å; Y237-G243 WeakPolarHBondContact CA-O 3.28Å; C238-G243 WeakPolarHBondContact CB-O 3.39Å; C238-G243 PolarHBondContact N-O 2.8Å; C241-G243 PolarHBondContact O-N 2.77Å; C241-G243 VanDerWaalsContact O-N 3.09Å; C241-G243 PolarHBondContact SG-N 2.98Å; C241-G243 VanDerWaalsContact SG-N 3.35Å; G243-A247 VanDerWaalsContact CA-O 3.3Å; G243-A247 WeakPolarHBondContact CA-O 3.35Å | ||
| 244 | D | 92.1 | Very high | 91 | Very high | 74 Ų | 74 | 73.2 Ų | 73.2 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | trans | -86.8 | -170.7 | 176 | 53.6 | 22.6 | 0 | 0 | 0 | 111.1 | D236 D246 A247 H268 | D236-D244 WeakPolarHBondContact O-CA 3.26Å; D244-D246 PolarHBondContact O-N 3.04Å; D244-D246 PolarHBondContact OD1-N 2.82Å; D244-D246 VanDerWaalsContact OD1-N 3.12Å; D244-A247 PolarHBondContact OD1-N 3.45Å; D244-H268 PolarHBondContact O-CE1 2.66Å; D244-H268 PolarHBondContact O-NE2 2.75Å | ||
| 245 | Q | 92.3 | Very high | 90.9 | Very high | 97 Ų | 97 | 71 Ų | 71 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -63.3 | -29.3 | 174.9 | 171.7 | 163.9 | 40 | 0 | 0 | 113 | E255 | Q245-E255 WeakPolarHBondContact CA-O 3.45Å; Q245-E255 CarbonylContact O-C 3.57Å; Q245-E255 PolarHBondContact O-N 3.45Å; Q245-E255 VanDerWaalsContact O-O 3.05Å |
| 246 | D | 91.1 | Very high | 90.9 | Very high | 124 Ų | 124 | 73.9 Ų | 73.9 | 66% | 0.663 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -86 | -21.9 | -174 | -64.2 | -42 | 0 | 0 | 0 | 112.5 | D244 A254 | D244-D246 PolarHBondContact O-N 3.04Å; D244-D246 PolarHBondContact OD1-N 2.82Å; D244-D246 VanDerWaalsContact OD1-N 3.12Å; D246-A254 VanDerWaalsContact O-CA 3.25Å; D246-A254 WeakPolarHBondContact O-CA 3.1Å; D246-A254 VanDerWaalsContact O-CB 3.27Å; D246-A254 WeakPolarHBondContact O-CB 2.99Å |
| 247 | A | 90.9 | Very high | 90.9 | Very high | 46 Ų | 46 | 68.8 Ų | 68.8 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | trans | -145.7 | 102.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G243 D244 R249 | G243-A247 VanDerWaalsContact CA-O 3.3Å; G243-A247 WeakPolarHBondContact CA-O 3.35Å; D244-A247 PolarHBondContact OD1-N 3.45Å; A247-R249 PolarHBondContact O-N 2.96Å | ||
| 248 | N | 90.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | trans | -72.9 | 113.4 | 162.3 | -179 | -16.2 | 0 | 0 | 0 | 109.8 | K250 T251 G252 Q253 E255 T270 | N248-K250 PolarHBondContact O-N 2.75Å; N248-K250 WeakPolarHBondContact OD1-CB 3.43Å; N248-K250 PolarHBondContact OD1-N 2.78Å; N248-T251 WeakPolarHBondContact CB-OG1 3.44Å; N248-T251 PolarHBondContact ND2-OG1 2.89Å; N248-T251 PolarHBondContact O-N 3.47Å; N248-G252 VanDerWaalsContact O-CA 3.27Å; N248-G252 WeakPolarHBondContact O-CA 3.33Å; N248-G252 PolarHBondContact O-N 3.42Å; N248-Q253 VanDerWaalsContact CB-O 3.27Å; N248-Q253 WeakPolarHBondContact CB-O 3.38Å; N248-Q253 PolarHBondContact N-O 3.11Å; N248-E255 HydrophobicContact CB-CB 4.33Å; N248-E255 PolarHBondContact ND2-OE2 3.48Å; N248-T270 PolarHBondContact ND2-OG1 3.4Å | ||
| 249 | R | 88.1 | Confident | 91 | Very high | 186 Ų | 186 | 66.6 Ų | 66.6 | 70% | 0.702 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.9 | -178.2 | -61.5 | -163.9 | -176.3 | 178.9 | -3.1 | 114.6 | C241 A247 | C241-R249 HydrophobicContact CB-CB 4.11Å; C241-R249 VanDerWaalsContact O-CD 3.28Å; C241-R249 WeakPolarHBondContact O-CD 3.38Å; A247-R249 PolarHBondContact O-N 2.96Å |
| 250 | K | 85.8 | Confident | 91.2 | Very high | 124 Ų | 124 | 65 Ų | 65 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -40.8 | 176.9 | -70.5 | -171.2 | -176.1 | 173.6 | 0 | 112.5 | C241 N248 | C241-K250 HydrophobicContact CB-CG 3.99Å; N248-K250 PolarHBondContact O-N 2.75Å; N248-K250 WeakPolarHBondContact OD1-CB 3.43Å; N248-K250 PolarHBondContact OD1-N 2.78Å |
| 251 | T | 88.1 | Confident | 91.3 | Very high | 66 Ų | 66 | 64.7 Ų | 64.7 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -18.8 | -175.7 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | N248 Q253 | N248-T251 WeakPolarHBondContact CB-OG1 3.44Å; N248-T251 PolarHBondContact ND2-OG1 2.89Å; N248-T251 PolarHBondContact O-N 3.47Å; T251-Q253 PolarHBondContact O-N 3.33Å; T251-Q253 PolarHBondContact OG1-N 3.01Å |
| 252 | G | 88.7 | Confident | 91.3 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 72.4 | 14 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N248 | N248-G252 VanDerWaalsContact O-CA 3.27Å; N248-G252 WeakPolarHBondContact O-CA 3.33Å; N248-G252 PolarHBondContact O-N 3.42Å |
| 253 | Q | 90.1 | Very high | 91.4 | Very high | 138 Ų | 138 | 63.2 Ų | 63.2 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -115.1 | 152.2 | -176.7 | -64 | -177.2 | -5.1 | 0 | 0 | 111.2 | N248 T251 E255 | N248-Q253 VanDerWaalsContact CB-O 3.27Å; N248-Q253 WeakPolarHBondContact CB-O 3.38Å; N248-Q253 PolarHBondContact N-O 3.11Å; T251-Q253 PolarHBondContact O-N 3.33Å; T251-Q253 PolarHBondContact OG1-N 3.01Å; Q253-E255 PolarHBondContact O-N 3.38Å |
| 254 | A | 92 | Very high | 91.5 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 63% | 0.628 | 35% | 0.349 | S | S | * | . | trans | -67.6 | 127.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | D246 | D246-A254 VanDerWaalsContact O-CA 3.25Å; D246-A254 WeakPolarHBondContact O-CA 3.1Å; D246-A254 VanDerWaalsContact O-CB 3.27Å; D246-A254 WeakPolarHBondContact O-CB 2.99Å | ||
| 255 | E | 91.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | trans | -147.9 | 126.7 | -176.8 | -168.9 | -177.4 | 168.9 | 0 | 0 | 109.3 | Q245 N248 Q253 H268 P269 T270 | Q245-E255 WeakPolarHBondContact CA-O 3.45Å; Q245-E255 CarbonylContact O-C 3.57Å; Q245-E255 PolarHBondContact O-N 3.45Å; Q245-E255 VanDerWaalsContact O-O 3.05Å; N248-E255 HydrophobicContact CB-CB 4.33Å; N248-E255 PolarHBondContact ND2-OE2 3.48Å; Q253-E255 PolarHBondContact O-N 3.38Å; E255-H268 HydrophobicContact CG-CB 4.42Å; E255-H268 PolarHBondContact O-CD2 3.49Å; E255-H268 PolarHBondContact O-NE2 2.93Å; E255-P269 HydrophobicContact CG-CG 4.47Å; E255-P269 WeakPolarHBondContact OE1-CA 3.44Å; E255-P269 VanDerWaalsContact OE1-CB 3.27Å; E255-P269 WeakPolarHBondContact OE1-CB 3.18Å; E255-P269 WeakPolarHBondContact OE1-CD 3.36Å; E255-P269 WeakPolarHBondContact OE1-CG 3.5Å; E255-P269 VanDerWaalsContact OE1-N 3.16Å; E255-T270 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T270 PolarHBondContact OE1-N 3.46Å; E255-T270 PolarHBondContact OE1-OG1 3.06Å; E255-T270 WeakPolarHBondContact OE2-CG2 3.23Å; E255-T270 PolarHBondContact OE2-OG1 3.04Å | ||
| 256 | E | 92.1 | Very high | 91.5 | Very high | 95 Ų | 95 | 58.1 Ų | 58.1 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 135.1 | 179.2 | 175.1 | -178.2 | -137.1 | 0 | 0 | 112 | P269 R283 | E256-P269 WeakPolarHBondContact O-CD 3.22Å; E256-R283 IonicContact OE2-CZ 3.36Å; E256-R283 IonicContact OE2-NE 2.82Å; E256-R283 PolarHBondContact OE2-NE 3.28Å; E256-R283 IonicContact OE2-NH2 2.98Å; E256-R283 PolarHBondContact OE2-NH2 3.44Å |
| 257 | L | 93.4 | Very high | 91.6 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 136.4 | 178.3 | -64.5 | 173.6 | 0 | 0 | 0 | 111.6 | D236 C238 H268 | D236-L257 VanDerWaalsContact C-CD1 3.48Å; D236-L257 WeakPolarHBondContact O-CD1 3.47Å; C238-L257 HydrophobicContact CB-CD2 3.63Å; L257-H268 VanDerWaalsContact CD2-CD2 3.47Å; L257-H268 WeakPolarHBondContact CD2-CD2 3.48Å; L257-H268 WeakPolarHBondContact CD2-NE2 3.32Å |
| 258 | V | 93.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.2 | 167.3 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | S266 G267 P269 L272 V282 W287 | V258-S266 CarbonylContact O-C 3.53Å; V258-S266 VanDerWaalsContact O-CA 3.28Å; V258-S266 WeakPolarHBondContact O-CA 3.45Å; V258-G267 PolarHBondContact N-O 3.35Å; V258-G267 PolarHBondContact O-N 3.31Å; V258-P269 HydrophobicContact CG2-CG 3.89Å; V258-L272 HydrophobicContact CB-CD1 4.32Å; V258-V282 HydrophobicContact CG1-CB 4.29Å; V258-V282 HydrophobicContact CG1-CG2 3.94Å; V258-V282 HydrophobicContact CG2-CG2 3.89Å; V258-W287 HydrophobicContact CG1-CB 4.36Å; V258-W287 HydrophobicContact CG1-CD2 3.81Å; V258-W287 HydrophobicContact CG1-CE3 3.65Å; V258-W287 HydrophobicContact CG1-CG 4.13Å; V258-W287 HydrophobicContact CG1-CZ3 4.17Å |
| 259 | S | 94.6 | Very high | 91.8 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.4 | -169.8 | -49.2 | 0 | 0 | 0 | 0 | 111.6 | S261 R265 S266 | S259-S261 PolarHBondContact O-N 3.15Å; S259-R265 WeakPolarHBondContact CA-O 3.36Å; S259-S266 WeakPolarHBondContact CB-OG 3.28Å; S259-S266 PolarHBondContact OG-OG 3.44Å |
| 260 | C | 94.5 | Very high | 92 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | trans | -69.6 | 126.6 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | D262 C263 G264 R265 W287 C289 | C260-D262 PolarHBondContact O-N 3.41Å; C260-D262 VanDerWaalsContact O-N 3.15Å; C260-D262 PolarHBondContact SG-N 3.14Å; C260-D262 VanDerWaalsContact SG-N 3.41Å; C260-C263 VanDerWaalsContact CB-SG 3.59Å; C260-C263 PolarHBondContact SG-SG 3.06Å; C260-G264 WeakPolarHBondContact O-CA 3.34Å; C260-G264 PolarHBondContact O-N 3.03Å; C260-R265 WeakPolarHBondContact CB-O 3.29Å; C260-R265 PolarHBondContact N-O 3.36Å; C260-W287 WeakPolarHBondContact CA-O 3.22Å; C260-W287 HydrophobicContact CB-CE3 4.33Å; C260-W287 HydrophobicContact CB-CZ3 4Å; C260-C289 HydrophobicContact CB-CB 3.88Å; C260-C289 PolarHBondContact SG-N 3.25Å; C260-C289 VanDerWaalsContact SG-SG 3.62Å | ||
| 261 | S | 93.9 | Very high | 92.2 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.3 | 177.8 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | I232 S259 W287 | I232-S261 WeakPolarHBondContact CD1-O 3.34Å; S259-S261 PolarHBondContact O-N 3.15Å; S261-W287 PolarHBondContact N-O 3.3Å; S261-W287 PolarHBondContact OG-O 3.07Å |
| 262 | D | 91.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 35.7 Ų | 35.7 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -33.6 | -168.6 | -71.2 | 8.6 | 0 | 0 | 0 | 113.4 | I232 C260 Q288 C292 | I232-D262 VanDerWaalsContact CD1-O 3.27Å; I232-D262 WeakPolarHBondContact CD1-O 3.43Å; C260-D262 PolarHBondContact O-N 3.41Å; C260-D262 VanDerWaalsContact O-N 3.15Å; C260-D262 PolarHBondContact SG-N 3.14Å; C260-D262 VanDerWaalsContact SG-N 3.41Å; D262-Q288 PolarHBondContact OD2-NE2 3.3Å; D262-C292 HydrophobicContact CB-CB 3.76Å |
| 263 | C | 92.5 | Very high | 92.2 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -10 | -177.3 | 71 | 0 | 0 | 0 | 0 | 114.8 | C260 R265 C289 | C260-C263 VanDerWaalsContact CB-SG 3.59Å; C260-C263 PolarHBondContact SG-SG 3.06Å; C263-R265 PolarHBondContact O-N 3.15Å; C263-C289 PolarHBondContact SG-SG 2.8Å |
| 264 | G | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 79 | -6.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | I232 P234 N235 C260 S266 | I232-G264 VanDerWaalsContact CG2-N 3.28Å; P234-G264 CarbonylContact C-O 3.56Å; N235-G264 PolarHBondContact N-O 3.01Å; C260-G264 WeakPolarHBondContact O-CA 3.34Å; C260-G264 PolarHBondContact O-N 3.03Å; G264-S266 PolarHBondContact O-N 3.08Å; G264-S266 PolarHBondContact O-OG 3.16Å | ||
| 265 | R | 92.4 | Very high | 92 | Very high | 63 Ų | 63 | 31.4 Ų | 31.4 | 24% | 0.238 | 17% | 0.169 | C | C | . | . | trans | -58.4 | 133.8 | 176 | -73.8 | -176.1 | 179.3 | -173.3 | -5.8 | 111.6 | H222 D239 S259 C260 C263 | H222-R265 PolarHBondContact CE1-NH2 2.78Å; H222-R265 VanDerWaalsContact CE1-NH2 3.28Å; H222-R265 PolarHBondContact ND1-NH2 3.27Å; H222-R265 VanDerWaalsContact ND1-NH2 3.12Å; D239-R265 VanDerWaalsContact OD2-CB 3.25Å; D239-R265 WeakPolarHBondContact OD2-CB 2.95Å; D239-R265 VanDerWaalsContact OD2-CD 3.31Å; D239-R265 WeakPolarHBondContact OD2-CD 3.31Å; D239-R265 VanDerWaalsContact OD2-CG 3.22Å; D239-R265 WeakPolarHBondContact OD2-CG 3.11Å; S259-R265 WeakPolarHBondContact CA-O 3.36Å; C260-R265 WeakPolarHBondContact CB-O 3.29Å; C260-R265 PolarHBondContact N-O 3.36Å; C263-R265 PolarHBondContact O-N 3.15Å | ||
| 266 | S | 93.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.8 | -173.7 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | N235 Y237 C238 D239 V258 S259 G264 | N235-S266 PolarHBondContact N-OG 2.85Å; N235-S266 VanDerWaalsContact O-CB 3.25Å; N235-S266 WeakPolarHBondContact O-CB 3.5Å; N235-S266 PolarHBondContact O-OG 3.15Å; Y237-S266 WeakPolarHBondContact O-CB 2.82Å; C238-S266 WeakPolarHBondContact CA-O 3.28Å; D239-S266 PolarHBondContact N-O 3.31Å; V258-S266 CarbonylContact O-C 3.53Å; V258-S266 VanDerWaalsContact O-CA 3.28Å; V258-S266 WeakPolarHBondContact O-CA 3.45Å; S259-S266 WeakPolarHBondContact CB-OG 3.28Å; S259-S266 PolarHBondContact OG-OG 3.44Å; G264-S266 PolarHBondContact O-N 3.08Å; G264-S266 PolarHBondContact O-OG 3.16Å |
| 267 | G | 93.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 148.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | V258 | V258-G267 PolarHBondContact N-O 3.35Å; V258-G267 PolarHBondContact O-N 3.31Å |
| 268 | H | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -66.4 | 136.5 | 170.1 | -61.8 | 111.4 | 0 | 0 | 0 | 109.9 | C238 C241 D244 E255 L257 T270 C271 L272 | C238-H268 WeakPolarHBondContact CB-CE1 3.17Å; C238-H268 WeakPolarHBondContact CB-ND1 3.04Å; C238-H268 PolarHBondContact SG-N 2.78Å; C238-H268 VanDerWaalsContact SG-N 3.38Å; C238-H268 PolarHBondContact SG-ND1 3.34Å; C241-H268 PolarHBondContact SG-CE1 3.24Å; C241-H268 PolarHBondContact SG-ND1 2.87Å; D244-H268 PolarHBondContact O-CE1 2.66Å; D244-H268 PolarHBondContact O-NE2 2.75Å; E255-H268 HydrophobicContact CG-CB 4.42Å; E255-H268 PolarHBondContact O-CD2 3.49Å; E255-H268 PolarHBondContact O-NE2 2.93Å; L257-H268 VanDerWaalsContact CD2-CD2 3.47Å; L257-H268 WeakPolarHBondContact CD2-CD2 3.48Å; L257-H268 WeakPolarHBondContact CD2-NE2 3.32Å; H268-T270 PolarHBondContact O-N 3.23Å; H268-C271 HydrophobicContact CB-CB 3.9Å; H268-C271 CarbonylContact O-C 3.57Å; H268-C271 WeakPolarHBondContact O-CA 3.25Å; H268-C271 WeakPolarHBondContact O-CB 3.22Å; H268-C271 PolarHBondContact O-N 3.34Å; H268-L272 VanDerWaalsContact O-CG 3.28Å; H268-L272 WeakPolarHBondContact O-CG 3.28Å; H268-L272 PolarHBondContact O-N 3.48Å | ||
| 269 | P | 92.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -42.6 | 173 | -24.2 | 24.9 | 0 | 0 | 0 | 114.4 | E255 E256 V258 L272 Q273 F274 M279 | E255-P269 HydrophobicContact CG-CG 4.47Å; E255-P269 WeakPolarHBondContact OE1-CA 3.44Å; E255-P269 VanDerWaalsContact OE1-CB 3.27Å; E255-P269 WeakPolarHBondContact OE1-CB 3.18Å; E255-P269 WeakPolarHBondContact OE1-CD 3.36Å; E255-P269 WeakPolarHBondContact OE1-CG 3.5Å; E255-P269 VanDerWaalsContact OE1-N 3.16Å; E256-P269 WeakPolarHBondContact O-CD 3.22Å; V258-P269 HydrophobicContact CG2-CG 3.89Å; P269-L272 CarbonylContact O-C 3.46Å; P269-L272 WeakPolarHBondContact O-CB 3.37Å; P269-L272 PolarHBondContact O-N 2.96Å; P269-Q273 PolarHBondContact O-N 3.48Å; P269-F274 HydrophobicContact CB-CB 4.24Å; P269-F274 HydrophobicContact CB-CD2 4.29Å; P269-F274 WeakPolarHBondContact O-CB 3.49Å; P269-F274 PolarHBondContact O-N 3.33Å; P269-M279 HydrophobicContact CB-CG 3.65Å; P269-M279 HydrophobicContact CB-SD 3.46Å; P269-M279 WeakPolarHBondContact CB-SD 3.46Å; P269-M279 HydrophobicContact CG-CG 4.49Å; P269-M279 HydrophobicContact CG-SD 4.26Å |
| 270 | T | 91.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 39.8 Ų | 39.8 | 39% | 0.393 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -36.1 | 175.8 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | N248 E255 H268 L272 Q273 | N248-T270 PolarHBondContact ND2-OG1 3.4Å; E255-T270 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T270 PolarHBondContact OE1-N 3.46Å; E255-T270 PolarHBondContact OE1-OG1 3.06Å; E255-T270 WeakPolarHBondContact OE2-CG2 3.23Å; E255-T270 PolarHBondContact OE2-OG1 3.04Å; H268-T270 PolarHBondContact O-N 3.23Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 3.12Å; T270-Q273 PolarHBondContact O-N 3.4Å; T270-Q273 VanDerWaalsContact O-N 3.11Å |
| 271 | C | 90.7 | Very high | 90.4 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -35.1 | 174.3 | -74.7 | 0 | 0 | 0 | 0 | 111.9 | F240 H268 Q273 | F240-C271 HydrophobicContact CB-CB 3.79Å; F240-C271 HydrophobicContact CD2-CB 3.88Å; F240-C271 HydrophobicContact CG-CB 3.86Å; H268-C271 HydrophobicContact CB-CB 3.9Å; H268-C271 CarbonylContact O-C 3.57Å; H268-C271 WeakPolarHBondContact O-CA 3.25Å; H268-C271 WeakPolarHBondContact O-CB 3.22Å; H268-C271 PolarHBondContact O-N 3.34Å; C271-Q273 PolarHBondContact O-N 3.25Å |
| 272 | L | 89.3 | Confident | 90.2 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.6 | 174.2 | -64.6 | 165.9 | 0 | 0 | 0 | 113 | Y191 F240 V258 H268 P269 T270 F274 W287 | Y191-L272 HydrophobicContact CD2-CD2 3.33Å; Y191-L272 HydrophobicContact CE2-CD2 3.23Å; F240-L272 HydrophobicContact CE2-CD2 3.36Å; F240-L272 HydrophobicContact CE2-CG 3.96Å; F240-L272 HydrophobicContact CZ-CD2 3.61Å; F240-L272 HydrophobicContact CZ-CG 4.35Å; V258-L272 HydrophobicContact CB-CD1 4.32Å; H268-L272 VanDerWaalsContact O-CG 3.28Å; H268-L272 WeakPolarHBondContact O-CG 3.28Å; H268-L272 PolarHBondContact O-N 3.48Å; P269-L272 CarbonylContact O-C 3.46Å; P269-L272 WeakPolarHBondContact O-CB 3.37Å; P269-L272 PolarHBondContact O-N 2.96Å; T270-L272 VanDerWaalsContact C-N 3.29Å; T270-L272 PolarHBondContact O-N 3.12Å; L272-F274 VanDerWaalsContact C-N 3.32Å; L272-F274 HydrophobicContact CB-CD1 3.56Å; L272-F274 HydrophobicContact CB-CD2 4.24Å; L272-F274 HydrophobicContact CB-CE1 3.62Å; L272-F274 HydrophobicContact CB-CE2 4.24Å; L272-F274 HydrophobicContact CB-CG 3.93Å; L272-F274 HydrophobicContact CB-CZ 3.97Å; L272-F274 HydrophobicContact CD1-CD2 4.14Å; L272-F274 HydrophobicContact CD1-CE1 4.35Å; L272-F274 HydrophobicContact CD1-CE2 3.65Å; L272-F274 HydrophobicContact CD1-CZ 3.8Å; L272-F274 HydrophobicContact CG-CE1 4.44Å; L272-F274 HydrophobicContact CG-CZ 4.35Å; L272-F274 WeakPolarHBondContact O-CD1 3.32Å; L272-F274 PolarHBondContact O-N 2.92Å; L272-W287 HydrophobicContact CD1-CH2 4.43Å; L272-W287 HydrophobicContact CD2-CH2 4.39Å |
| 273 | Q | 87.9 | Confident | 90 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 49% | 0.486 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 41 | -173 | -57 | -177.9 | -2.2 | 0 | 0 | 113.3 | S190 P269 T270 C271 | S190-Q273 PolarHBondContact OG-NE2 3.22Å; S190-Q273 PolarHBondContact OG-OE1 3.49Å; P269-Q273 PolarHBondContact O-N 3.48Å; T270-Q273 PolarHBondContact O-N 3.4Å; T270-Q273 VanDerWaalsContact O-N 3.11Å; C271-Q273 PolarHBondContact O-N 3.25Å |
| 274 | F | 89.8 | Confident | 89.9 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | trans | -76.8 | 137.9 | 179.7 | -72.7 | -1.7 | 0 | 0 | 0 | 113.1 | P269 L272 M278 M279 V282 W287 | P269-F274 HydrophobicContact CB-CB 4.24Å; P269-F274 HydrophobicContact CB-CD2 4.29Å; P269-F274 WeakPolarHBondContact O-CB 3.49Å; P269-F274 PolarHBondContact O-N 3.33Å; L272-F274 VanDerWaalsContact C-N 3.32Å; L272-F274 HydrophobicContact CB-CD1 3.56Å; L272-F274 HydrophobicContact CB-CD2 4.24Å; L272-F274 HydrophobicContact CB-CE1 3.62Å; L272-F274 HydrophobicContact CB-CE2 4.24Å; L272-F274 HydrophobicContact CB-CG 3.93Å; L272-F274 HydrophobicContact CB-CZ 3.97Å; L272-F274 HydrophobicContact CD1-CD2 4.14Å; L272-F274 HydrophobicContact CD1-CE1 4.35Å; L272-F274 HydrophobicContact CD1-CE2 3.65Å; L272-F274 HydrophobicContact CD1-CZ 3.8Å; L272-F274 HydrophobicContact CG-CE1 4.44Å; L272-F274 HydrophobicContact CG-CZ 4.35Å; L272-F274 WeakPolarHBondContact O-CD1 3.32Å; L272-F274 PolarHBondContact O-N 2.92Å; F274-M278 VanDerWaalsContact CA-CE 3.42Å; F274-M278 HydrophobicContact CB-CB 4.39Å; F274-M278 HydrophobicContact CB-CE 3.69Å; F274-M278 HydrophobicContact CB-CG 4.38Å; F274-M278 HydrophobicContact CD1-CE 3.12Å; F274-M278 HydrophobicContact CD1-CG 4.23Å; F274-M278 HydrophobicContact CD1-SD 3.82Å; F274-M278 HydrophobicContact CD2-CE 4.5Å; F274-M278 HydrophobicContact CD2-CG 4.12Å; F274-M278 HydrophobicContact CE1-CE 3.76Å; F274-M278 HydrophobicContact CE1-CG 4.47Å; F274-M278 HydrophobicContact CE1-SD 3.89Å; F274-M278 HydrophobicContact CE2-CG 4.41Å; F274-M278 HydrophobicContact CG-CE 3.54Å; F274-M278 HydrophobicContact CG-CG 4.01Å; F274-M278 HydrophobicContact CG-SD 4.21Å; F274-M278 HydrophobicContact CZ-SD 4.4Å; F274-M279 HydrophobicContact CB-CG 3.85Å; F274-V282 HydrophobicContact CD2-CG1 4.44Å; F274-V282 HydrophobicContact CD2-CG2 4.21Å; F274-V282 HydrophobicContact CE2-CB 4.39Å; F274-V282 HydrophobicContact CE2-CG1 3.85Å; F274-V282 HydrophobicContact CE2-CG2 4Å; F274-V282 HydrophobicContact CZ-CG1 4.39Å; F274-W287 AromaticContact CZ-CE2 3.95Å; F274-W287 AromaticContact CZ-CZ2 3.91Å; F274-W287 HydrophobicContact CZ-CZ2 3.91Å; F274-W287 AromaticContact CZ-NE1 3.72Å | ||
| 275 | T | 87.6 | Confident | 89.7 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 41% | 0.405 | 23% | 0.234 | S | C | . | . | trans | -73.3 | 158.6 | 167.7 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | N277 M278 M279 D311 | T275-N277 VanDerWaalsContact C-N 3.3Å; T275-N277 PolarHBondContact O-N 3.15Å; T275-M278 WeakPolarHBondContact O-CB 3.38Å; T275-M278 PolarHBondContact O-N 2.95Å; T275-M278 WeakPolarHBondContact OG1-CB 3.39Å; T275-M278 PolarHBondContact OG1-N 3.04Å; T275-M279 VanDerWaalsContact O-CG 3.29Å; T275-M279 WeakPolarHBondContact O-CG 3.19Å; T275-M279 PolarHBondContact O-N 3.41Å; T275-D311 PolarHBondContact OG1-O 3.21Å | ||
| 276 | E | 86.4 | Confident | 89.7 | Confident | 138 Ų | 138 | 50 Ų | 50 | 65% | 0.645 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -58.3 | -40.1 | -178.8 | -169.6 | 169.8 | -168.6 | 0 | 0 | 113.3 | M278 M279 Q280 | E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 3.5Å; E276-M279 HydrophobicContact CB-CE 4.11Å; E276-M279 HydrophobicContact CG-CE 4.28Å; E276-M279 WeakPolarHBondContact O-CB 3.47Å; E276-M279 PolarHBondContact O-N 2.79Å; E276-Q280 PolarHBondContact O-N 2.99Å |
| 277 | N | 85.3 | Confident | 89.8 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 33% | 0.326 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 173.3 | -68.8 | -15.3 | 0 | 0 | 0 | 111.4 | T275 M279 Q280 A281 D312 | T275-N277 VanDerWaalsContact C-N 3.3Å; T275-N277 PolarHBondContact O-N 3.15Å; N277-M279 PolarHBondContact O-N 2.9Å; N277-Q280 PolarHBondContact O-N 3.24Å; N277-A281 WeakPolarHBondContact O-CB 3.47Å; N277-A281 PolarHBondContact O-N 3.07Å; N277-D312 CarbonylContact C-O 3.46Å; N277-D312 PolarHBondContact ND2-OD1 2.95Å |
| 278 | M | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | -180 | -173.2 | 160.5 | 50.4 | 0 | 0 | 111.3 | P187 F274 T275 E276 Q280 A281 V282 D312 D314 | P187-M278 HydrophobicContact CB-CE 4.14Å; P187-M278 HydrophobicContact CG-CE 4.21Å; F274-M278 VanDerWaalsContact CA-CE 3.42Å; F274-M278 HydrophobicContact CB-CB 4.39Å; F274-M278 HydrophobicContact CB-CE 3.69Å; F274-M278 HydrophobicContact CB-CG 4.38Å; F274-M278 HydrophobicContact CD1-CE 3.12Å; F274-M278 HydrophobicContact CD1-CG 4.23Å; F274-M278 HydrophobicContact CD1-SD 3.82Å; F274-M278 HydrophobicContact CD2-CE 4.5Å; F274-M278 HydrophobicContact CD2-CG 4.12Å; F274-M278 HydrophobicContact CE1-CE 3.76Å; F274-M278 HydrophobicContact CE1-CG 4.47Å; F274-M278 HydrophobicContact CE1-SD 3.89Å; F274-M278 HydrophobicContact CE2-CG 4.41Å; F274-M278 HydrophobicContact CG-CE 3.54Å; F274-M278 HydrophobicContact CG-CG 4.01Å; F274-M278 HydrophobicContact CG-SD 4.21Å; F274-M278 HydrophobicContact CZ-SD 4.4Å; T275-M278 WeakPolarHBondContact O-CB 3.38Å; T275-M278 PolarHBondContact O-N 2.95Å; T275-M278 WeakPolarHBondContact OG1-CB 3.39Å; T275-M278 PolarHBondContact OG1-N 3.04Å; E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 3.5Å; M278-Q280 VanDerWaalsContact C-N 3.27Å; M278-Q280 PolarHBondContact O-N 3.47Å; M278-A281 PolarHBondContact O-N 3.06Å; M278-A281 VanDerWaalsContact O-N 3.16Å; M278-V282 HydrophobicContact CG-CG1 3.88Å; M278-V282 WeakPolarHBondContact O-CG1 3.27Å; M278-V282 VanDerWaalsContact O-CG2 3.31Å; M278-V282 WeakPolarHBondContact O-CG2 3.3Å; M278-V282 PolarHBondContact O-N 2.73Å; M278-D312 WeakPolarHBondContact CA-O 3.33Å; M278-D312 PolarHBondContact N-O 3.24Å; M278-D314 HydrophobicContact CG-CB 4.12Å; M278-D314 HydrophobicContact SD-CB 3.52Å; M278-D314 VanDerWaalsContact SD-CB 3.52Å |
| 279 | M | 87.8 | Confident | 89.8 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57 | -39.9 | 175.3 | -64.5 | -160.7 | -86.1 | 0 | 0 | 112.7 | P269 F274 T275 E276 N277 R283 | P269-M279 HydrophobicContact CB-CG 3.65Å; P269-M279 HydrophobicContact CB-SD 3.46Å; P269-M279 WeakPolarHBondContact CB-SD 3.46Å; P269-M279 HydrophobicContact CG-CG 4.49Å; P269-M279 HydrophobicContact CG-SD 4.26Å; F274-M279 HydrophobicContact CB-CG 3.85Å; T275-M279 VanDerWaalsContact O-CG 3.29Å; T275-M279 WeakPolarHBondContact O-CG 3.19Å; T275-M279 PolarHBondContact O-N 3.41Å; E276-M279 HydrophobicContact CB-CE 4.11Å; E276-M279 HydrophobicContact CG-CE 4.28Å; E276-M279 WeakPolarHBondContact O-CB 3.47Å; E276-M279 PolarHBondContact O-N 2.79Å; N277-M279 PolarHBondContact O-N 2.9Å; M279-R283 PolarHBondContact O-NH1 3.26Å |
| 280 | Q | 87.4 | Confident | 89.7 | Confident | 123 Ų | 123 | 52 Ų | 52 | 58% | 0.575 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -72.7 | -45.3 | 176.3 | -65.9 | 178.7 | 15.1 | 0 | 0 | 110.5 | E276 N277 M278 R283 T284 | E276-Q280 PolarHBondContact O-N 2.99Å; N277-Q280 PolarHBondContact O-N 3.24Å; M278-Q280 VanDerWaalsContact C-N 3.27Å; M278-Q280 PolarHBondContact O-N 3.47Å; Q280-R283 PolarHBondContact O-N 2.91Å; Q280-T284 WeakPolarHBondContact O-CG2 3.31Å |
| 281 | A | 90.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -44 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N277 M278 R283 T284 Y285 C313 | N277-A281 WeakPolarHBondContact O-CB 3.47Å; N277-A281 PolarHBondContact O-N 3.07Å; M278-A281 PolarHBondContact O-N 3.06Å; M278-A281 VanDerWaalsContact O-N 3.16Å; A281-R283 PolarHBondContact O-N 3.5Å; A281-R283 VanDerWaalsContact O-N 3.15Å; A281-T284 PolarHBondContact O-N 2.94Å; A281-T284 PolarHBondContact O-OG1 3.43Å; A281-Y285 WeakPolarHBondContact O-CD1 3.15Å; A281-Y285 VanDerWaalsContact O-CE1 3.3Å; A281-Y285 WeakPolarHBondContact O-CE1 3.38Å; A281-C313 HydrophobicContact CB-CB 3.59Å |
| 282 | V | 90.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -65.3 | -19.6 | -177.1 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | V258 F274 M278 W287 D314 | V258-V282 HydrophobicContact CG1-CB 4.29Å; V258-V282 HydrophobicContact CG1-CG2 3.94Å; V258-V282 HydrophobicContact CG2-CG2 3.89Å; F274-V282 HydrophobicContact CD2-CG1 4.44Å; F274-V282 HydrophobicContact CD2-CG2 4.21Å; F274-V282 HydrophobicContact CE2-CB 4.39Å; F274-V282 HydrophobicContact CE2-CG1 3.85Å; F274-V282 HydrophobicContact CE2-CG2 4Å; F274-V282 HydrophobicContact CZ-CG1 4.39Å; M278-V282 HydrophobicContact CG-CG1 3.88Å; M278-V282 WeakPolarHBondContact O-CG1 3.27Å; M278-V282 VanDerWaalsContact O-CG2 3.31Å; M278-V282 WeakPolarHBondContact O-CG2 3.3Å; M278-V282 PolarHBondContact O-N 2.73Å; V282-W287 HydrophobicContact CB-CB 4.14Å; V282-W287 HydrophobicContact CB-CG 4.1Å; V282-W287 VanDerWaalsContact CG1-CD1 3.44Å; V282-W287 HydrophobicContact CG1-CG 4.16Å; V282-D314 HydrophobicContact CG1-CB 4.19Å |
| 283 | R | 87.8 | Confident | 89.9 | Confident | 117 Ų | 117 | 53.9 Ų | 53.9 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -79.5 | -18 | 173.4 | -68.6 | -178.9 | 171.2 | 90 | -4.6 | 113.1 | E256 M279 Q280 A281 | E256-R283 IonicContact OE2-CZ 3.36Å; E256-R283 IonicContact OE2-NE 2.82Å; E256-R283 PolarHBondContact OE2-NE 3.28Å; E256-R283 IonicContact OE2-NH2 2.98Å; E256-R283 PolarHBondContact OE2-NH2 3.44Å; M279-R283 PolarHBondContact O-NH1 3.26Å; Q280-R283 PolarHBondContact O-N 2.91Å; A281-R283 PolarHBondContact O-N 3.5Å; A281-R283 VanDerWaalsContact O-N 3.15Å |
| 284 | T | 89.2 | Confident | 90.2 | Very high | 96 Ų | 96 | 50.3 Ų | 50.3 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -89.7 | -2.1 | -176.5 | 79.5 | 0 | 0 | 0 | 0 | 113.5 | Q280 A281 | Q280-T284 WeakPolarHBondContact O-CG2 3.31Å; A281-T284 PolarHBondContact O-N 2.94Å; A281-T284 PolarHBondContact O-OG1 3.43Å |
| 285 | Y | 89.9 | Confident | 90.5 | Very high | 49 Ų | 49 | 49.3 Ų | 49.3 | 19% | 0.192 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -152.6 | 172.2 | -179.5 | 73.7 | -84.3 | 0 | 0 | 0 | 111.3 | A281 W287 C313 R315 | A281-Y285 WeakPolarHBondContact O-CD1 3.15Å; A281-Y285 VanDerWaalsContact O-CE1 3.3Å; A281-Y285 WeakPolarHBondContact O-CE1 3.38Å; Y285-W287 VanDerWaalsContact C-N 3.32Å; Y285-W287 HydrophobicContact CE2-CB 4.29Å; Y285-W287 PolarHBondContact O-N 3.15Å; Y285-C313 PolarHBondContact OH-O 2.97Å; Y285-R315 VanDerWaalsContact CD1-CZ 3.47Å; Y285-R315 HydrophobicContact CE1-CG 4.34Å; Y285-R315 HydrophobicContact CE2-CG 3.98Å; Y285-R315 VanDerWaalsContact CG-NH2 3.3Å |
| 286 | Q | 92.1 | Very high | 90.8 | Very high | 122 Ų | 122 | 49.2 Ų | 49.2 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | 85.9 | 176.5 | -70.5 | 162.3 | 57.7 | 0 | 0 | 110.4 | ||
| 287 | W | 94.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | trans | -66.4 | 139.6 | 177.3 | 175.9 | 86.2 | 0 | 0 | 0 | 111.3 | V258 C260 S261 L272 F274 V282 Y285 C289 D314 | V258-W287 HydrophobicContact CG1-CB 4.36Å; V258-W287 HydrophobicContact CG1-CD2 3.81Å; V258-W287 HydrophobicContact CG1-CE3 3.65Å; V258-W287 HydrophobicContact CG1-CG 4.13Å; V258-W287 HydrophobicContact CG1-CZ3 4.17Å; C260-W287 WeakPolarHBondContact CA-O 3.22Å; C260-W287 HydrophobicContact CB-CE3 4.33Å; C260-W287 HydrophobicContact CB-CZ3 4Å; S261-W287 PolarHBondContact N-O 3.3Å; S261-W287 PolarHBondContact OG-O 3.07Å; L272-W287 HydrophobicContact CD1-CH2 4.43Å; L272-W287 HydrophobicContact CD2-CH2 4.39Å; F274-W287 AromaticContact CZ-CE2 3.95Å; F274-W287 AromaticContact CZ-CZ2 3.91Å; F274-W287 HydrophobicContact CZ-CZ2 3.91Å; F274-W287 AromaticContact CZ-NE1 3.72Å; V282-W287 HydrophobicContact CB-CB 4.14Å; V282-W287 HydrophobicContact CB-CG 4.1Å; V282-W287 VanDerWaalsContact CG1-CD1 3.44Å; V282-W287 HydrophobicContact CG1-CG 4.16Å; Y285-W287 VanDerWaalsContact C-N 3.32Å; Y285-W287 HydrophobicContact CE2-CB 4.29Å; Y285-W287 PolarHBondContact O-N 3.15Å; W287-C289 HydrophobicContact CH2-CB 3.78Å; W287-C289 HydrophobicContact CZ2-CB 4.4Å; W287-C289 HydrophobicContact CZ3-CB 4.13Å; W287-D314 PolarHBondContact NE1-OD2 3.28Å | ||
| 288 | Q | 94.4 | Very high | 91.7 | Very high | 32 Ų | 32 | 46.5 Ų | 46.5 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | trans | -114.2 | 138 | 176.7 | -65.9 | 174.4 | -40.5 | 0 | 0 | 109 | D262 C292 K293 S294 | D262-Q288 PolarHBondContact OD2-NE2 3.3Å; Q288-C292 HydrophobicContact CB-CB 4.29Å; Q288-C292 PolarHBondContact OE1-O 3.04Å; Q288-K293 HydrophobicContact CB-CD 4.36Å; Q288-K293 WeakPolarHBondContact O-CE 3.25Å; Q288-K293 PolarHBondContact O-NZ 3.45Å; Q288-S294 PolarHBondContact NE2-OG 3.33Å; Q288-S294 PolarHBondContact OE1-OG 3.23Å | ||
| 289 | C | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -67.1 | 173.1 | 170.1 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | C260 C263 W287 E291 C292 K293 | C260-C289 HydrophobicContact CB-CB 3.88Å; C260-C289 PolarHBondContact SG-N 3.25Å; C260-C289 VanDerWaalsContact SG-SG 3.62Å; C263-C289 PolarHBondContact SG-SG 2.8Å; W287-C289 HydrophobicContact CH2-CB 3.78Å; W287-C289 HydrophobicContact CZ2-CB 4.4Å; W287-C289 HydrophobicContact CZ3-CB 4.13Å; C289-E291 VanDerWaalsContact C-N 3.3Å; C289-E291 PolarHBondContact O-N 3.01Å; C289-C292 CarbonylContact O-C 3.53Å; C289-C292 PolarHBondContact O-N 3.28Å; C289-C292 VanDerWaalsContact O-N 3.12Å; C289-K293 PolarHBondContact O-N 2.96Å | ||
| 290 | I | 89.9 | Confident | 92.1 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -58.9 | -39.2 | -173.2 | -150.6 | 170.1 | 0 | 0 | 0 | 114.2 | Y183 G188 Y191 H192 C292 K293 F309 | Y183-I290 HydrophobicContact CD1-CD1 3.69Å; Y183-I290 HydrophobicContact CD1-CG1 3.78Å; Y183-I290 HydrophobicContact CD2-CD1 3.44Å; Y183-I290 VanDerWaalsContact CD2-CD1 3.44Å; Y183-I290 HydrophobicContact CD2-CG1 4.31Å; Y183-I290 HydrophobicContact CE1-CD1 3.61Å; Y183-I290 HydrophobicContact CE1-CG1 3.35Å; Y183-I290 HydrophobicContact CE2-CD1 3.37Å; Y183-I290 HydrophobicContact CE2-CG1 3.95Å; Y183-I290 HydrophobicContact CG-CD1 3.57Å; Y183-I290 HydrophobicContact CG-CG1 4.21Å; Y183-I290 VanDerWaalsContact CZ-CD1 3.41Å; Y183-I290 VanDerWaalsContact CZ-CG1 3.42Å; G188-I290 WeakPolarHBondContact O-CD1 3.31Å; Y191-I290 HydrophobicContact CD1-CB 3.41Å; Y191-I290 VanDerWaalsContact CD1-CB 3.41Å; Y191-I290 HydrophobicContact CD1-CD1 3.9Å; Y191-I290 HydrophobicContact CD1-CG1 4.26Å; Y191-I290 HydrophobicContact CD1-CG2 3.27Å; Y191-I290 HydrophobicContact CE1-CB 3.6Å; Y191-I290 HydrophobicContact CE1-CG2 3.21Å; Y191-I290 HydrophobicContact CG-CB 4.27Å; Y191-I290 HydrophobicContact CG-CD1 4.44Å; Y191-I290 HydrophobicContact CG-CG2 4.5Å; H192-I290 HydrophobicContact CB-CD1 3.84Å; I290-C292 VanDerWaalsContact C-N 3.29Å; I290-C292 PolarHBondContact O-N 3.12Å; I290-K293 PolarHBondContact O-N 3.25Å; I290-F309 HydrophobicContact CD1-CE2 3.93Å; I290-F309 HydrophobicContact CD1-CZ 4.32Å; I290-F309 HydrophobicContact CG1-CE2 3.61Å; I290-F309 HydrophobicContact CG1-CZ 3.65Å |
| 291 | E | 89.1 | Confident | 92.3 | Very high | 75 Ų | 75 | 44.5 Ų | 44.5 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -76.1 | -23.2 | -176.4 | -62.4 | -59.6 | 141.9 | 0 | 0 | 111.4 | K181 C289 | K181-E291 IonicContact NZ-OE1 3.11Å; K181-E291 IonicContact NZ-OE2 3.23Å; K181-E291 PolarHBondContact NZ-OE2 3.48Å; C289-E291 VanDerWaalsContact C-N 3.3Å; C289-E291 PolarHBondContact O-N 3.01Å |
| 292 | C | 92.7 | Very high | 92.3 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -99.3 | -2.6 | 178 | -61 | 0 | 0 | 0 | 0 | 112.6 | D262 Q288 C289 I290 S294 | D262-C292 HydrophobicContact CB-CB 3.76Å; Q288-C292 HydrophobicContact CB-CB 4.29Å; Q288-C292 PolarHBondContact OE1-O 3.04Å; C289-C292 CarbonylContact O-C 3.53Å; C289-C292 PolarHBondContact O-N 3.28Å; C289-C292 VanDerWaalsContact O-N 3.12Å; I290-C292 VanDerWaalsContact C-N 3.29Å; I290-C292 PolarHBondContact O-N 3.12Å; C292-S294 PolarHBondContact O-N 3.46Å |
| 293 | K | 93.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | trans | -61.7 | 127.7 | -171.4 | -163.3 | 76.7 | 65.5 | 175.4 | 0 | 110.4 | Q288 C289 I290 S301 L307 F309 D314 | Q288-K293 HydrophobicContact CB-CD 4.36Å; Q288-K293 WeakPolarHBondContact O-CE 3.25Å; Q288-K293 PolarHBondContact O-NZ 3.45Å; C289-K293 PolarHBondContact O-N 2.96Å; I290-K293 PolarHBondContact O-N 3.25Å; K293-S301 VanDerWaalsContact O-CB 3.3Å; K293-S301 WeakPolarHBondContact O-CB 3.48Å; K293-L307 HydrophobicContact CB-CD2 4.2Å; K293-L307 HydrophobicContact CG-CD2 4.1Å; K293-F309 HydrophobicContact CB-CE1 4.04Å; K293-F309 HydrophobicContact CB-CZ 4.25Å; K293-F309 HydrophobicContact CD-CD1 4.47Å; K293-F309 HydrophobicContact CD-CE1 4.5Å; K293-F309 HydrophobicContact CG-CD1 3.91Å; K293-F309 HydrophobicContact CG-CE1 3.6Å; K293-F309 HydrophobicContact CG-CZ 4.18Å; K293-D314 WeakPolarHBondContact CE-O 3.26Å; K293-D314 VanDerWaalsContact NZ-CG 3.28Å; K293-D314 PolarHBondContact NZ-O 2.91Å; K293-D314 IonicContact NZ-OD1 3.53Å; K293-D314 IonicContact NZ-OD2 2.92Å; K293-D314 PolarHBondContact NZ-OD2 3.48Å | ||
| 294 | S | 94.4 | Very high | 92.2 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -117.1 | 152.4 | 174.7 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | Q288 C292 S296 | Q288-S294 PolarHBondContact NE2-OG 3.33Å; Q288-S294 PolarHBondContact OE1-OG 3.23Å; C292-S294 PolarHBondContact O-N 3.46Å; S294-S296 PolarHBondContact O-N 2.64Å | ||
| 295 | C | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 127.9 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | L297 C298 G299 T300 L307 G316 H318 | C295-L297 PolarHBondContact O-N 3.5Å; C295-L297 VanDerWaalsContact O-N 3.15Å; C295-L297 PolarHBondContact SG-N 3.08Å; C295-C298 WeakPolarHBondContact CB-SG 3.44Å; C295-G299 WeakPolarHBondContact O-CA 3.42Å; C295-G299 PolarHBondContact O-N 2.77Å; C295-T300 PolarHBondContact N-O 3.43Å; C295-L307 HydrophobicContact CB-CD1 3.79Å; C295-G316 CarbonylContact C-O 3.32Å; C295-G316 WeakPolarHBondContact CA-O 3.36Å; C295-H318 VanDerWaalsContact CB-CE1 3.47Å; C295-H318 WeakPolarHBondContact CB-CE1 3.37Å; C295-H318 WeakPolarHBondContact CB-ND1 3.36Å; C295-H318 PolarHBondContact SG-N 3.31Å; C295-H318 PolarHBondContact SG-ND1 3.4Å |
| 296 | S | 94.6 | Very high | 92 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.3 | -177.4 | -49.1 | 0 | 0 | 0 | 0 | 112.9 | S294 G316 | S294-S296 PolarHBondContact O-N 2.64Å; S296-G316 PolarHBondContact N-O 3.25Å; S296-G316 PolarHBondContact OG-O 3.37Å |
| 297 | L | 94.6 | Very high | 92 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 45% | 0.45 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -44.4 | -179.1 | -61.1 | 176.2 | 0 | 0 | 0 | 112.9 | C295 Y317 C321 L322 | C295-L297 PolarHBondContact O-N 3.5Å; C295-L297 VanDerWaalsContact O-N 3.15Å; C295-L297 PolarHBondContact SG-N 3.08Å; L297-Y317 HydrophobicContact CD1-CD1 3.87Å; L297-Y317 HydrophobicContact CD1-CE1 4.39Å; L297-Y317 HydrophobicContact CD2-CE1 4.25Å; L297-Y317 HydrophobicContact CG-CD1 3.77Å; L297-Y317 HydrophobicContact CG-CE1 3.97Å; L297-C321 HydrophobicContact CB-CB 4.01Å; L297-C321 HydrophobicContact CD1-CB 3.78Å; L297-C321 VanDerWaalsContact CD1-O 3.23Å; L297-C321 WeakPolarHBondContact CD1-O 3.09Å; L297-L322 HydrophobicContact CD1-CD2 4.36Å |
| 298 | C | 95.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -12.6 | -177 | 71 | 0 | 0 | 0 | 0 | 113.8 | C295 T300 H318 | C295-C298 WeakPolarHBondContact CB-SG 3.44Å; C298-T300 PolarHBondContact O-N 3.4Å; C298-T300 PolarHBondContact SG-OG1 2.75Å; C298-H318 PolarHBondContact SG-ND1 3.14Å |
| 299 | G | 93.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 42.8 Ų | 42.8 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | trans | 69.6 | 12.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C295 | C295-G299 WeakPolarHBondContact O-CA 3.42Å; C295-G299 PolarHBondContact O-N 2.77Å | ||
| 300 | T | 92.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | trans | -101.7 | 151.7 | 176.7 | 74.8 | 0 | 0 | 0 | 0 | 111.1 | C295 C298 H318 | C295-T300 PolarHBondContact N-O 3.43Å; C298-T300 PolarHBondContact O-N 3.4Å; C298-T300 PolarHBondContact SG-OG1 2.75Å; T300-H318 PolarHBondContact OG1-CE1 3.03Å | ||
| 301 | S | 91.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 43 Ų | 43 | 46% | 0.462 | 25% | 0.249 | S | C | . | . | trans | -105.9 | 15.3 | 170.5 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | K293 | K293-S301 VanDerWaalsContact O-CB 3.3Å; K293-S301 WeakPolarHBondContact O-CB 3.48Å | ||
| 302 | E | 89.3 | Confident | 92 | Very high | 117 Ų | 117 | 39.7 Ų | 39.7 | 55% | 0.547 | 23% | 0.234 | S | C | . | . | trans | -78.1 | 157.1 | 177.1 | -64.5 | 173.6 | -170.8 | 0 | 0 | 109.7 | D304 H318 | E302-D304 PolarHBondContact O-N 3.22Å; E302-H318 PolarHBondContact O-CE1 2.93Å; E302-H318 VanDerWaalsContact O-CE1 3.25Å; E302-H318 PolarHBondContact O-NE2 3.14Å | ||
| 303 | N | 88.7 | Confident | 92 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | trans | 52.8 | 54.3 | -178.1 | -48.8 | -51.7 | 0 | 0 | 0 | 112 | D305 Q306 H318 Y320 | N303-D305 VanDerWaalsContact CA-OD1 3.25Å; N303-D305 WeakPolarHBondContact CA-OD1 3.38Å; N303-D305 PolarHBondContact O-N 3.16Å; N303-Q306 PolarHBondContact O-N 3.37Å; N303-Q306 VanDerWaalsContact O-N 3.08Å; N303-H318 PolarHBondContact O-CD2 3.25Å; N303-H318 PolarHBondContact O-NE2 3.03Å; N303-Y320 HydrophobicContact CB-CE1 4.21Å; N303-Y320 PolarHBondContact ND2-OH 2.86Å | ||
| 304 | D | 87.7 | Confident | 92 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 32% | 0.316 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -63.1 | -28.5 | 179.3 | 58.4 | -12.7 | 0 | 0 | 0 | 112.4 | E302 Q306 L307 | E302-D304 PolarHBondContact O-N 3.22Å; D304-Q306 PolarHBondContact O-N 3.28Å; D304-Q306 VanDerWaalsContact O-N 3.14Å; D304-L307 WeakPolarHBondContact O-CB 3.49Å; D304-L307 PolarHBondContact O-N 3.09Å |
| 305 | D | 86.3 | Confident | 92 | Very high | 72 Ų | 72 | 39 Ų | 39 | 39% | 0.385 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -55.6 | -23.8 | 169.1 | 70.4 | -52.6 | 0 | 0 | 0 | 114 | K184 N303 | K184-D305 WeakPolarHBondContact CE-O 3.35Å; K184-D305 PolarHBondContact NZ-O 3.39Å; N303-D305 VanDerWaalsContact CA-OD1 3.25Å; N303-D305 WeakPolarHBondContact CA-OD1 3.38Å; N303-D305 PolarHBondContact O-N 3.16Å |
| 306 | Q | 89.2 | Confident | 91.9 | Very high | 68 Ų | 68 | 39 Ų | 39 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -111.2 | 10.2 | 178.8 | -73.4 | 171.4 | 71 | 0 | 0 | 113.4 | N303 D304 H318 M319 Y320 | N303-Q306 PolarHBondContact O-N 3.37Å; N303-Q306 VanDerWaalsContact O-N 3.08Å; D304-Q306 PolarHBondContact O-N 3.28Å; D304-Q306 VanDerWaalsContact O-N 3.14Å; Q306-H318 WeakPolarHBondContact O-CA 3.5Å; Q306-M319 WeakPolarHBondContact O-CG 2.96Å; Q306-M319 PolarHBondContact O-N 3.01Å; Q306-Y320 HydrophobicContact CB-CD1 4.33Å; Q306-Y320 HydrophobicContact CB-CE1 4.21Å |
| 307 | L | 92.1 | Very high | 92 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112 | 179.5 | -167.9 | 66.1 | 0 | 0 | 0 | 110.2 | K293 C295 D304 F309 | K293-L307 HydrophobicContact CB-CD2 4.2Å; K293-L307 HydrophobicContact CG-CD2 4.1Å; C295-L307 HydrophobicContact CB-CD1 3.79Å; D304-L307 WeakPolarHBondContact O-CB 3.49Å; D304-L307 PolarHBondContact O-N 3.09Å; L307-F309 HydrophobicContact CD2-CE1 3.89Å; L307-F309 HydrophobicContact CG-CD1 4.34Å; L307-F309 HydrophobicContact CG-CE1 3.95Å |
| 308 | L | 92.3 | Very high | 92 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 144.8 | 169.1 | -59.8 | -179.2 | 0 | 0 | 0 | 109.5 | K184 G316 Y317 M319 L322 M326 P329 P330 W334 | K184-L308 HydrophobicContact CB-CD2 3.5Å; K184-L308 VanDerWaalsContact CB-CD2 3.5Å; K184-L308 HydrophobicContact CD-CD2 3.56Å; K184-L308 HydrophobicContact CG-CD2 4.11Å; L308-G316 CarbonylContact O-C 3.55Å; L308-G316 VanDerWaalsContact O-CA 3.28Å; L308-G316 WeakPolarHBondContact O-CA 3.04Å; L308-Y317 PolarHBondContact N-O 3.16Å; L308-Y317 PolarHBondContact O-N 3.47Å; L308-M319 HydrophobicContact CD1-CG 3.79Å; L308-M319 HydrophobicContact CD2-CG 4.05Å; L308-M319 HydrophobicContact CD2-SD 4.19Å; L308-M319 HydrophobicContact CG-CG 3.64Å; L308-M319 HydrophobicContact CG-SD 4.43Å; L308-L322 HydrophobicContact CD1-CD1 4.18Å; L308-M326 HydrophobicContact CD1-SD 4.16Å; L308-P329 HydrophobicContact CD2-CB 4.5Å; L308-P330 HydrophobicContact CD1-CG 4.44Å; L308-W334 HydrophobicContact CB-CE3 4.02Å; L308-W334 HydrophobicContact CB-CH2 4.47Å; L308-W334 HydrophobicContact CB-CZ3 3.92Å; L308-W334 HydrophobicContact CD1-CD2 4.07Å; L308-W334 HydrophobicContact CD1-CE3 4.27Å; L308-W334 HydrophobicContact CD1-CZ2 4.4Å |
| 309 | F | 93.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 145.4 | 160.4 | -28.7 | -42 | 0 | 0 | 0 | 110.1 | Y183 N185 I290 K293 L307 R315 | Y183-F309 HydrophobicContact CD1-CE1 4.15Å; Y183-F309 AromaticContact CD1-CE2 3.71Å; Y183-F309 HydrophobicContact CD1-CE2 3.71Å; Y183-F309 AromaticContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CD1-CZ 3.26Å; Y183-F309 HydrophobicContact CE1-CE2 4.34Å; Y183-F309 AromaticContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CE1-CZ 3.65Å; Y183-F309 HydrophobicContact CG-CE2 4.27Å; Y183-F309 HydrophobicContact CG-CZ 4.24Å; N185-F309 WeakPolarHBondContact ND2-CA 2.99Å; N185-F309 WeakPolarHBondContact ND2-CB 3.47Å; N185-F309 VanDerWaalsContact ND2-CG 3.34Å; N185-F309 WeakPolarHBondContact ND2-CG 3.19Å; N185-F309 PolarHBondContact ND2-N 3.45Å; N185-F309 PolarHBondContact ND2-O 3.48Å; I290-F309 HydrophobicContact CD1-CE2 3.93Å; I290-F309 HydrophobicContact CD1-CZ 4.32Å; I290-F309 HydrophobicContact CG1-CE2 3.61Å; I290-F309 HydrophobicContact CG1-CZ 3.65Å; K293-F309 HydrophobicContact CB-CE1 4.04Å; K293-F309 HydrophobicContact CB-CZ 4.25Å; K293-F309 HydrophobicContact CD-CD1 4.47Å; K293-F309 HydrophobicContact CD-CE1 4.5Å; K293-F309 HydrophobicContact CG-CD1 3.91Å; K293-F309 HydrophobicContact CG-CE1 3.6Å; K293-F309 HydrophobicContact CG-CZ 4.18Å; L307-F309 HydrophobicContact CD2-CE1 3.89Å; L307-F309 HydrophobicContact CG-CD1 4.34Å; L307-F309 HydrophobicContact CG-CE1 3.95Å; F309-R315 VanDerWaalsContact CA-O 3.29Å; F309-R315 WeakPolarHBondContact CA-O 3.06Å |
| 310 | C | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | trans | -72.5 | 128.9 | 176.3 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | D312 C313 D314 R315 W334 C336 | C310-D312 PolarHBondContact O-N 3.42Å; C310-C313 PolarHBondContact O-N 3.14Å; C310-D314 VanDerWaalsContact O-CA 3.26Å; C310-D314 WeakPolarHBondContact O-CA 3.3Å; C310-D314 PolarHBondContact O-N 3.27Å; C310-R315 PolarHBondContact N-O 3.46Å; C310-W334 HydrophobicContact CB-CE3 4.47Å; C310-W334 HydrophobicContact CB-CZ3 4.1Å; C310-C336 HydrophobicContact CB-CB 3.97Å; C310-C336 PolarHBondContact SG-N 3.21Å; C310-C336 VanDerWaalsContact SG-SG 3.62Å | ||
| 311 | D | 90.9 | Very high | 92 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.4 | 179.5 | -70.5 | -49.5 | 0 | 0 | 0 | 113.6 | N185 P187 T275 S333 W334 | N185-D311 WeakPolarHBondContact CB-OD1 3.42Å; P187-D311 WeakPolarHBondContact CD-OD1 3.32Å; T275-D311 PolarHBondContact OG1-O 3.21Å; D311-S333 WeakPolarHBondContact OD2-CA 3.3Å; D311-S333 WeakPolarHBondContact OD2-CB 3.32Å; D311-W334 PolarHBondContact N-O 3.3Å; D311-W334 PolarHBondContact OD2-N 3.22Å |
| 312 | D | 90.5 | Very high | 92 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -14.7 | 178.9 | -76.5 | -48.6 | 0 | 0 | 0 | 114.5 | N277 M278 C310 S335 C339 L343 S348 | N277-D312 CarbonylContact C-O 3.46Å; N277-D312 PolarHBondContact ND2-OD1 2.95Å; M278-D312 WeakPolarHBondContact CA-O 3.33Å; M278-D312 PolarHBondContact N-O 3.24Å; C310-D312 PolarHBondContact O-N 3.42Å; D312-S335 PolarHBondContact OD2-OG 2.9Å; D312-C339 HydrophobicContact CB-CB 4.01Å; D312-L343 HydrophobicContact CB-CD1 4.03Å; D312-S348 PolarHBondContact OD2-N 3.19Å; D312-S348 PolarHBondContact OD2-OG 3.38Å |
| 313 | C | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.9 | 6.3 | -178.5 | 74.2 | 0 | 0 | 0 | 0 | 115.6 | A281 Y285 C310 R315 C336 C339 | A281-C313 HydrophobicContact CB-CB 3.59Å; Y285-C313 PolarHBondContact OH-O 2.97Å; C310-C313 PolarHBondContact O-N 3.14Å; C313-R315 PolarHBondContact O-N 3.05Å; C313-R315 PolarHBondContact SG-NH1 3.3Å; C313-R315 VanDerWaalsContact SG-NH1 3.38Å; C313-C336 VanDerWaalsContact SG-SG 3.66Å; C313-C339 VanDerWaalsContact CB-SG 3.55Å; C313-C339 PolarHBondContact SG-SG 2.97Å |
| 314 | D | 94 | Very high | 92.1 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | trans | 55.2 | 12.6 | 179.8 | -148.7 | 32.8 | 0 | 0 | 0 | 117.1 | M278 V282 W287 K293 C310 | M278-D314 HydrophobicContact CG-CB 4.12Å; M278-D314 HydrophobicContact SD-CB 3.52Å; M278-D314 VanDerWaalsContact SD-CB 3.52Å; V282-D314 HydrophobicContact CG1-CB 4.19Å; W287-D314 PolarHBondContact NE1-OD2 3.28Å; K293-D314 WeakPolarHBondContact CE-O 3.26Å; K293-D314 VanDerWaalsContact NZ-CG 3.28Å; K293-D314 PolarHBondContact NZ-O 2.91Å; K293-D314 IonicContact NZ-OD1 3.53Å; K293-D314 IonicContact NZ-OD2 2.92Å; K293-D314 PolarHBondContact NZ-OD2 3.48Å; C310-D314 VanDerWaalsContact O-CA 3.26Å; C310-D314 WeakPolarHBondContact O-CA 3.3Å; C310-D314 PolarHBondContact O-N 3.27Å | ||
| 315 | R | 94 | Very high | 92.3 | Very high | 42 Ų | 42 | 36.9 Ų | 36.9 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | trans | -71 | 138.7 | 175.4 | -76.8 | -174.9 | -179.7 | 84.2 | -3.4 | 111 | Y285 F309 C310 C313 Y317 | Y285-R315 VanDerWaalsContact CD1-CZ 3.47Å; Y285-R315 HydrophobicContact CE1-CG 4.34Å; Y285-R315 HydrophobicContact CE2-CG 3.98Å; Y285-R315 VanDerWaalsContact CG-NH2 3.3Å; F309-R315 VanDerWaalsContact CA-O 3.29Å; F309-R315 WeakPolarHBondContact CA-O 3.06Å; C310-R315 PolarHBondContact N-O 3.46Å; C313-R315 PolarHBondContact O-N 3.05Å; C313-R315 PolarHBondContact SG-NH1 3.3Å; C313-R315 VanDerWaalsContact SG-NH1 3.38Å; R315-Y317 HydrophobicContact CB-CD2 4.36Å; R315-Y317 HydrophobicContact CB-CE2 3.52Å; R315-Y317 WeakPolarHBondContact O-CD2 3.45Å | ||
| 316 | G | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 140.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C295 S296 L308 | C295-G316 CarbonylContact C-O 3.32Å; C295-G316 WeakPolarHBondContact CA-O 3.36Å; S296-G316 PolarHBondContact N-O 3.25Å; S296-G316 PolarHBondContact OG-O 3.37Å; L308-G316 CarbonylContact O-C 3.55Å; L308-G316 VanDerWaalsContact O-CA 3.28Å; L308-G316 WeakPolarHBondContact O-CA 3.04Å |
| 317 | Y | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 124 | 175.9 | -65.4 | -87.9 | 0 | 0 | 0 | 110.8 | L297 L308 R315 M319 L322 W334 C336 H337 | L297-Y317 HydrophobicContact CD1-CD1 3.87Å; L297-Y317 HydrophobicContact CD1-CE1 4.39Å; L297-Y317 HydrophobicContact CD2-CE1 4.25Å; L297-Y317 HydrophobicContact CG-CD1 3.77Å; L297-Y317 HydrophobicContact CG-CE1 3.97Å; L308-Y317 PolarHBondContact N-O 3.16Å; L308-Y317 PolarHBondContact O-N 3.47Å; R315-Y317 HydrophobicContact CB-CD2 4.36Å; R315-Y317 HydrophobicContact CB-CE2 3.52Å; R315-Y317 WeakPolarHBondContact O-CD2 3.45Å; Y317-M319 PolarHBondContact O-N 3.48Å; Y317-L322 HydrophobicContact CD1-CD2 4.18Å; Y317-L322 HydrophobicContact CG-CD2 4.26Å; Y317-W334 AromaticContact CD2-CH2 3.5Å; Y317-W334 HydrophobicContact CD2-CH2 3.5Å; Y317-W334 AromaticContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CE2-CH2 4.28Å; Y317-W334 AromaticContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CZ3 4.44Å; Y317-C336 HydrophobicContact CD2-CB 3.77Å; Y317-C336 HydrophobicContact CE1-CB 4.48Å; Y317-C336 HydrophobicContact CE2-CB 3.15Å; Y317-H337 AromaticContact CE1-CE1 3.64Å; Y317-H337 AromaticContact CE1-ND1 3.96Å |
| 318 | H | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137.1 | 169.4 | -68.2 | 118.1 | 0 | 0 | 0 | 110.1 | C295 C298 T300 E302 N303 Q306 Y320 C321 L322 | C295-H318 VanDerWaalsContact CB-CE1 3.47Å; C295-H318 WeakPolarHBondContact CB-CE1 3.37Å; C295-H318 WeakPolarHBondContact CB-ND1 3.36Å; C295-H318 PolarHBondContact SG-N 3.31Å; C295-H318 PolarHBondContact SG-ND1 3.4Å; C298-H318 PolarHBondContact SG-ND1 3.14Å; T300-H318 PolarHBondContact OG1-CE1 3.03Å; E302-H318 PolarHBondContact O-CE1 2.93Å; E302-H318 VanDerWaalsContact O-CE1 3.25Å; E302-H318 PolarHBondContact O-NE2 3.14Å; N303-H318 PolarHBondContact O-CD2 3.25Å; N303-H318 PolarHBondContact O-NE2 3.03Å; Q306-H318 WeakPolarHBondContact O-CA 3.5Å; H318-Y320 HydrophobicContact CB-CD1 3.91Å; H318-Y320 HydrophobicContact CB-CD2 4.11Å; H318-Y320 HydrophobicContact CB-CE1 3.58Å; H318-Y320 HydrophobicContact CB-CE2 3.82Å; H318-Y320 HydrophobicContact CB-CG 4.15Å; H318-Y320 AromaticContact CD2-CE1 3.75Å; H318-Y320 AromaticContact CD2-CZ 3.76Å; H318-Y320 PolarHBondContact CD2-OH 2.73Å; H318-Y320 PolarHBondContact CE1-OH 3.46Å; H318-Y320 AromaticContact CG-CE1 3.66Å; H318-Y320 AromaticContact CG-CZ 3.39Å; H318-Y320 VanDerWaalsContact CG-OH 3.28Å; H318-Y320 AromaticContact ND1-CZ 3.7Å; H318-Y320 PolarHBondContact ND1-OH 3.05Å; H318-Y320 PolarHBondContact NE2-OH 2.68Å; H318-Y320 PolarHBondContact O-N 3.26Å; H318-C321 HydrophobicContact CB-CB 3.98Å; H318-C321 WeakPolarHBondContact O-CB 3.27Å; H318-C321 PolarHBondContact O-N 3.09Å; H318-L322 PolarHBondContact O-N 3.03Å |
| 319 | M | 92.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -55.4 | -37.7 | 176.4 | -69 | 171.5 | 45.6 | 0 | 0 | 112.7 | K184 Q306 L308 Y317 C321 L322 P325 M326 T327 Q328 | K184-M319 HydrophobicContact CD-SD 3.8Å; K184-M319 PolarHBondContact NZ-SD 3.41Å; Q306-M319 WeakPolarHBondContact O-CG 2.96Å; Q306-M319 PolarHBondContact O-N 3.01Å; L308-M319 HydrophobicContact CD1-CG 3.79Å; L308-M319 HydrophobicContact CD2-CG 4.05Å; L308-M319 HydrophobicContact CD2-SD 4.19Å; L308-M319 HydrophobicContact CG-CG 3.64Å; L308-M319 HydrophobicContact CG-SD 4.43Å; Y317-M319 PolarHBondContact O-N 3.48Å; M319-C321 VanDerWaalsContact C-N 3.34Å; M319-L322 PolarHBondContact O-N 3.37Å; M319-P325 WeakPolarHBondContact O-CA 3.23Å; M319-M326 HydrophobicContact CB-CB 4.04Å; M319-M326 WeakPolarHBondContact CB-O 3.24Å; M319-M326 HydrophobicContact CE-CB 4.13Å; M319-M326 WeakPolarHBondContact CE-O 3.38Å; M319-M326 HydrophobicContact CG-CB 4.34Å; M319-M326 PolarHBondContact O-N 2.83Å; M319-T327 WeakPolarHBondContact CE-O 3.39Å; M319-Q328 VanDerWaalsContact CE-CA 3.43Å; M319-Q328 VanDerWaalsContact CE-O 3.32Å; M319-Q328 WeakPolarHBondContact CE-O 3.34Å |
| 320 | Y | 94.1 | Very high | 91.3 | Very high | 94 Ų | 94 | 50.2 Ų | 50.2 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -78.3 | -14.3 | 177.3 | 60.1 | -100.8 | 0 | 0 | 0 | 114.1 | N303 Q306 H318 | N303-Y320 HydrophobicContact CB-CE1 4.21Å; N303-Y320 PolarHBondContact ND2-OH 2.86Å; Q306-Y320 HydrophobicContact CB-CD1 4.33Å; Q306-Y320 HydrophobicContact CB-CE1 4.21Å; H318-Y320 HydrophobicContact CB-CD1 3.91Å; H318-Y320 HydrophobicContact CB-CD2 4.11Å; H318-Y320 HydrophobicContact CB-CE1 3.58Å; H318-Y320 HydrophobicContact CB-CE2 3.82Å; H318-Y320 HydrophobicContact CB-CG 4.15Å; H318-Y320 AromaticContact CD2-CE1 3.75Å; H318-Y320 AromaticContact CD2-CZ 3.76Å; H318-Y320 PolarHBondContact CD2-OH 2.73Å; H318-Y320 PolarHBondContact CE1-OH 3.46Å; H318-Y320 AromaticContact CG-CE1 3.66Å; H318-Y320 AromaticContact CG-CZ 3.39Å; H318-Y320 VanDerWaalsContact CG-OH 3.28Å; H318-Y320 AromaticContact ND1-CZ 3.7Å; H318-Y320 PolarHBondContact ND1-OH 3.05Å; H318-Y320 PolarHBondContact NE2-OH 2.68Å; H318-Y320 PolarHBondContact O-N 3.26Å |
| 321 | C | 94.8 | Very high | 90.8 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -85.1 | -19 | 174.2 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | L297 H318 M319 | L297-C321 HydrophobicContact CB-CB 4.01Å; L297-C321 HydrophobicContact CD1-CB 3.78Å; L297-C321 VanDerWaalsContact CD1-O 3.23Å; L297-C321 WeakPolarHBondContact CD1-O 3.09Å; H318-C321 HydrophobicContact CB-CB 3.98Å; H318-C321 WeakPolarHBondContact O-CB 3.27Å; H318-C321 PolarHBondContact O-N 3.09Å; M319-C321 VanDerWaalsContact C-N 3.34Å |
| 322 | L | 92.8 | Very high | 90.4 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -65.6 | 158.7 | 176.9 | -61.4 | 176 | 0 | 0 | 0 | 111.5 | L297 L308 Y317 H318 M319 P324 P325 M326 W334 | L297-L322 HydrophobicContact CD1-CD2 4.36Å; L308-L322 HydrophobicContact CD1-CD1 4.18Å; Y317-L322 HydrophobicContact CD1-CD2 4.18Å; Y317-L322 HydrophobicContact CG-CD2 4.26Å; H318-L322 PolarHBondContact O-N 3.03Å; M319-L322 PolarHBondContact O-N 3.37Å; L322-P324 CarbonylContact C-O 3.55Å; L322-P324 WeakPolarHBondContact CB-O 3.25Å; L322-P324 CarbonylContact O-C 3.59Å; L322-P325 VanDerWaalsContact O-CA 3.31Å; L322-P325 WeakPolarHBondContact O-CA 3.31Å; L322-P325 VanDerWaalsContact O-N 3.14Å; L322-M326 HydrophobicContact CD1-CE 4.1Å; L322-M326 HydrophobicContact CD1-CG 4.03Å; L322-M326 HydrophobicContact CD1-SD 3.6Å; L322-M326 VanDerWaalsContact CD1-SD 3.6Å; L322-W334 HydrophobicContact CD1-CZ2 3.8Å; L322-W334 HydrophobicContact CD2-CH2 4.27Å; L322-W334 HydrophobicContact CD2-CZ2 3.93Å |
| 323 | K | 89.2 | Confident | 90.2 | Very high | 205 Ų | 205 | 64.2 Ų | 64.2 | 89% | 0.891 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -130.1 | 108.2 | 175 | -66.5 | -177.4 | -176.2 | 176.6 | 0 | 108.7 | ||
| 324 | P | 90.4 | Very high | 90.1 | Very high | 109 Ų | 109 | 65 Ų | 65 | 71% | 0.708 | 36% | 0.358 | S | S | * | . | S | Bend | cis | -66.1 | 152.6 | -3.2 | 29.3 | -35.1 | 0 | 0 | 0 | 112.9 | L322 | L322-P324 CarbonylContact C-O 3.55Å; L322-P324 WeakPolarHBondContact CB-O 3.25Å; L322-P324 CarbonylContact O-C 3.59Å |
| 325 | P | 92.3 | Very high | 89.9 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 141.7 | 176.2 | 29.3 | -33.9 | 0 | 0 | 0 | 110.3 | M319 L322 | M319-P325 WeakPolarHBondContact O-CA 3.23Å; L322-P325 VanDerWaalsContact O-CA 3.31Å; L322-P325 WeakPolarHBondContact O-CA 3.31Å; L322-P325 VanDerWaalsContact O-N 3.14Å |
| 326 | M | 88.6 | Confident | 89.8 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -97 | 139.4 | 178 | -65.2 | 179.3 | 175.6 | 0 | 0 | 110.4 | L308 M319 L322 | L308-M326 HydrophobicContact CD1-SD 4.16Å; M319-M326 HydrophobicContact CB-CB 4.04Å; M319-M326 WeakPolarHBondContact CB-O 3.24Å; M319-M326 HydrophobicContact CE-CB 4.13Å; M319-M326 WeakPolarHBondContact CE-O 3.38Å; M319-M326 HydrophobicContact CG-CB 4.34Å; M319-M326 PolarHBondContact O-N 2.83Å; L322-M326 HydrophobicContact CD1-CE 4.1Å; L322-M326 HydrophobicContact CD1-CG 4.03Å; L322-M326 HydrophobicContact CD1-SD 3.6Å; L322-M326 VanDerWaalsContact CD1-SD 3.6Å |
| 327 | T | 87.1 | Confident | 89.7 | Confident | 135 Ų | 135 | 66.5 Ų | 66.5 | 83% | 0.828 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -98.2 | -27.3 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | M319 | M319-T327 WeakPolarHBondContact CE-O 3.39Š|
| 328 | Q | 86 | Confident | 89.5 | Confident | 150 Ų | 150 | 69.6 Ų | 69.6 | 70% | 0.701 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -126.7 | 149.7 | 176.6 | -62.7 | -171.2 | 26.8 | 0 | 0 | 110.6 | M319 | M319-Q328 VanDerWaalsContact CE-CA 3.43Å; M319-Q328 VanDerWaalsContact CE-O 3.32Å; M319-Q328 WeakPolarHBondContact CE-O 3.34Å |
| 329 | P | 86.2 | Confident | 89.3 | Confident | 58 Ų | 58 | 70 Ų | 70 | 38% | 0.377 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 140.5 | 169.9 | 20.7 | -29.6 | 0 | 0 | 0 | 110.3 | K184 L308 | K184-P329 HydrophobicContact CB-CB 4.09Å; K184-P329 HydrophobicContact CD-CB 3.81Å; K184-P329 HydrophobicContact CD-CG 4.28Å; K184-P329 HydrophobicContact CG-CB 3.87Å; K184-P329 HydrophobicContact CG-CG 4.36Å; L308-P329 HydrophobicContact CD2-CB 4.5Å |
| 330 | P | 85.3 | Confident | 89.1 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 144.2 | 173.9 | 25.5 | -31.8 | 0 | 0 | 0 | 110.6 | L308 G332 W334 | L308-P330 HydrophobicContact CD1-CG 4.44Å; P330-G332 PolarHBondContact O-N 3.48Å; P330-W334 HydrophobicContact CB-CB 4.36Å; P330-W334 HydrophobicContact CG-CB 3.51Å; P330-W334 HydrophobicContact CG-CG 3.73Å |
| 331 | E | 81.6 | Confident | 88.7 | Confident | 183 Ų | 183 | 73.3 Ų | 73.3 | 86% | 0.855 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -75.5 | 121.6 | 172.1 | -64.2 | -169.4 | 168.6 | 0 | 0 | 109.5 | ||
| 332 | G | 83.7 | Confident | 88.2 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 67% | 0.67 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 87.5 | -145.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P330 | P330-G332 PolarHBondContact O-N 3.48Š|
| 333 | S | 85 | Confident | 87.4 | Confident | 67 Ų | 67 | 80 Ų | 80 | 47% | 0.469 | 44% | 0.442 | S | S | . | . | trans | -84.6 | 141.8 | -174.3 | -64 | 0 | 0 | 0 | 0 | 112.3 | D311 | D311-S333 WeakPolarHBondContact OD2-CA 3.3Å; D311-S333 WeakPolarHBondContact OD2-CB 3.32Å | ||
| 334 | W | 90 | Very high | 86.9 | Confident | 16 Ų | 16 | 77.4 Ų | 77.4 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | trans | -131.1 | 131.8 | -179.7 | 177.7 | 81.5 | 0 | 0 | 0 | 112.4 | L308 C310 D311 Y317 L322 P330 C336 | L308-W334 HydrophobicContact CB-CE3 4.02Å; L308-W334 HydrophobicContact CB-CH2 4.47Å; L308-W334 HydrophobicContact CB-CZ3 3.92Å; L308-W334 HydrophobicContact CD1-CD2 4.07Å; L308-W334 HydrophobicContact CD1-CE3 4.27Å; L308-W334 HydrophobicContact CD1-CZ2 4.4Å; C310-W334 HydrophobicContact CB-CE3 4.47Å; C310-W334 HydrophobicContact CB-CZ3 4.1Å; D311-W334 PolarHBondContact N-O 3.3Å; D311-W334 PolarHBondContact OD2-N 3.22Å; Y317-W334 AromaticContact CD2-CH2 3.5Å; Y317-W334 HydrophobicContact CD2-CH2 3.5Å; Y317-W334 AromaticContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CD2-CZ3 3.83Å; Y317-W334 HydrophobicContact CE2-CH2 4.28Å; Y317-W334 AromaticContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CH2 3.77Å; Y317-W334 HydrophobicContact CG-CZ3 4.44Å; L322-W334 HydrophobicContact CD1-CZ2 3.8Å; L322-W334 HydrophobicContact CD2-CH2 4.27Å; L322-W334 HydrophobicContact CD2-CZ2 3.93Å; P330-W334 HydrophobicContact CB-CB 4.36Å; P330-W334 HydrophobicContact CG-CB 3.51Å; P330-W334 HydrophobicContact CG-CG 3.73Å; W334-C336 HydrophobicContact CH2-CB 3.68Å; W334-C336 HydrophobicContact CZ2-CB 4.3Å; W334-C336 HydrophobicContact CZ3-CB 4.08Å | ||
| 335 | S | 91.3 | Very high | 85.8 | Confident | 4 Ų | 4 | 80.3 Ų | 80.3 | 3% | 0.028 | 44% | 0.441 | C | S | . | . | trans | -111.7 | 136.8 | 176.8 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | D312 S348 | D312-S335 PolarHBondContact OD2-OG 2.9Å; S335-S348 WeakPolarHBondContact CB-O 3.37Å; S335-S348 PolarHBondContact N-O 3.44Å; S335-S348 VanDerWaalsContact OG-C 3.27Å; S335-S348 WeakPolarHBondContact OG-CA 3.42Å; S335-S348 WeakPolarHBondContact OG-CB 3.37Å; S335-S348 PolarHBondContact OG-N 2.89Å; S335-S348 PolarHBondContact OG-O 3.46Å | ||
| 336 | C | 92 | Very high | 84.5 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 45% | 0.447 | C | S | . | . | trans | -72.7 | 161.7 | 173.3 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | C310 C313 Y317 W334 L338 C339 L340 | C310-C336 HydrophobicContact CB-CB 3.97Å; C310-C336 PolarHBondContact SG-N 3.21Å; C310-C336 VanDerWaalsContact SG-SG 3.62Å; C313-C336 VanDerWaalsContact SG-SG 3.66Å; Y317-C336 HydrophobicContact CD2-CB 3.77Å; Y317-C336 HydrophobicContact CE1-CB 4.48Å; Y317-C336 HydrophobicContact CE2-CB 3.15Å; W334-C336 HydrophobicContact CH2-CB 3.68Å; W334-C336 HydrophobicContact CZ2-CB 4.3Å; W334-C336 HydrophobicContact CZ3-CB 4.08Å; C336-L338 PolarHBondContact O-N 2.96Å; C336-L338 VanDerWaalsContact O-N 3.16Å; C336-C339 PolarHBondContact O-N 3.25Å; C336-L340 WeakPolarHBondContact O-CG 3.24Å; C336-L340 PolarHBondContact O-N 2.8Å | ||
| 337 | H | 90.4 | Very high | 83.5 | Confident | 81 Ų | 81 | 81.4 Ų | 81.4 | 38% | 0.375 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -51.5 | -38.9 | 179.4 | 65.7 | -78.1 | 0 | 0 | 0 | 113.7 | Y317 C339 L340 D341 | Y317-H337 AromaticContact CE1-CE1 3.64Å; Y317-H337 AromaticContact CE1-ND1 3.96Å; H337-C339 VanDerWaalsContact C-N 3.34Å; H337-C339 PolarHBondContact O-N 3.33Å; H337-L340 PolarHBondContact O-N 2.99Å; H337-D341 WeakPolarHBondContact O-CB 3.47Å; H337-D341 VanDerWaalsContact O-CG 3.25Å; H337-D341 PolarHBondContact O-N 3.2Å |
| 338 | L | 91.1 | Very high | 82.3 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 177.2 | -59.2 | 178.8 | 0 | 0 | 0 | 112.9 | C336 L342 | C336-L338 PolarHBondContact O-N 2.96Å; C336-L338 VanDerWaalsContact O-N 3.16Å; L338-L342 VanDerWaalsContact O-CB 3.31Å; L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 PolarHBondContact O-N 2.94Å; L338-L342 VanDerWaalsContact O-N 3.14Å |
| 339 | C | 90.6 | Very high | 81 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.054 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.6 | -37.7 | 176.9 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | D312 C313 C336 H337 D341 L342 L343 | D312-C339 HydrophobicContact CB-CB 4.01Å; C313-C339 VanDerWaalsContact CB-SG 3.55Å; C313-C339 PolarHBondContact SG-SG 2.97Å; C336-C339 PolarHBondContact O-N 3.25Å; H337-C339 VanDerWaalsContact C-N 3.34Å; H337-C339 PolarHBondContact O-N 3.33Å; C339-D341 VanDerWaalsContact C-N 3.33Å; C339-D341 PolarHBondContact O-N 3.36Å; C339-L342 PolarHBondContact O-N 3.31Å; C339-L343 HydrophobicContact CB-CD1 4.29Å; C339-L343 WeakPolarHBondContact O-CA 3.26Å; C339-L343 WeakPolarHBondContact O-CB 3.29Å; C339-L343 PolarHBondContact O-N 3.45Å |
| 340 | L | 88.4 | Confident | 79.2 | Confident | 47 Ų | 47 | 74 Ų | 74 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 175 | -65.8 | 170.9 | 0 | 0 | 0 | 111.2 | C336 H337 K344 A347 A349 | C336-L340 WeakPolarHBondContact O-CG 3.24Å; C336-L340 PolarHBondContact O-N 2.8Å; H337-L340 PolarHBondContact O-N 2.99Å; L340-K344 VanDerWaalsContact O-CA 3.25Å; L340-K344 WeakPolarHBondContact O-CA 3.41Å; L340-K344 PolarHBondContact O-N 3.38Å; L340-A347 HydrophobicContact CD2-CB 3.69Å; L340-A349 HydrophobicContact CD2-CB 4.16Å |
| 341 | D | 87.1 | Confident | 77.3 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.2 | -39.3 | 178.8 | -68.8 | -22.8 | 0 | 0 | 0 | 112.5 | H337 C339 | H337-D341 WeakPolarHBondContact O-CB 3.47Å; H337-D341 VanDerWaalsContact O-CG 3.25Å; H337-D341 PolarHBondContact O-N 3.2Å; C339-D341 VanDerWaalsContact C-N 3.33Å; C339-D341 PolarHBondContact O-N 3.36Å |
| 342 | L | 83.5 | Confident | 75.2 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 75% | 0.749 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -80 | -45.7 | -176.8 | -176.3 | 66.5 | 0 | 0 | 0 | 113 | L338 C339 | L338-L342 VanDerWaalsContact O-CB 3.31Å; L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 PolarHBondContact O-N 2.94Å; L338-L342 VanDerWaalsContact O-N 3.14Å; C339-L342 PolarHBondContact O-N 3.31Å |
| 343 | L | 76.6 | Confident | 72.8 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 23% | 0.23 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -95.5 | -17.2 | -171.4 | -59.1 | 175 | 0 | 0 | 0 | 112.6 | D312 C339 D345 K346 A347 | D312-L343 HydrophobicContact CB-CD1 4.03Å; C339-L343 HydrophobicContact CB-CD1 4.29Å; C339-L343 WeakPolarHBondContact O-CA 3.26Å; C339-L343 WeakPolarHBondContact O-CB 3.29Å; C339-L343 PolarHBondContact O-N 3.45Å; L343-D345 PolarHBondContact O-N 3.06Å; L343-D345 VanDerWaalsContact O-N 3.11Å; L343-K346 HydrophobicContact CB-CB 4.14Å; L343-K346 WeakPolarHBondContact O-CB 3.46Å; L343-K346 PolarHBondContact O-N 3.23Å; L343-A347 HydrophobicContact CB-CB 4.08Å |
| 344 | K | 77.8 | Confident | 72.2 | Confident | 152 Ų | 152 | 84.1 Ų | 84.1 | 66% | 0.661 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | 46.4 | -115.5 | -177.1 | -60.4 | -178.9 | -179 | 179 | 0 | 110.8 | L340 K346 A347 | L340-K344 VanDerWaalsContact O-CA 3.25Å; L340-K344 WeakPolarHBondContact O-CA 3.41Å; L340-K344 PolarHBondContact O-N 3.38Å; K344-K346 PolarHBondContact O-N 3.23Å; K344-K346 VanDerWaalsContact O-N 3.13Å; K344-A347 WeakPolarHBondContact O-CB 3.21Å; K344-A347 PolarHBondContact O-N 3.11Å; K344-A347 VanDerWaalsContact O-N 3.09Å |
| 345 | D | 66.5 | Low | 71.3 | Confident | 170 Ų | 170 | 87.7 Ų | 87.7 | 91% | 0.909 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -65.9 | -14 | -177.8 | -53.5 | -34.5 | 0 | 0 | 0 | 114.1 | L343 | L343-D345 PolarHBondContact O-N 3.06Å; L343-D345 VanDerWaalsContact O-N 3.11Å |
| 346 | K | 65.6 | Low | 70.1 | Confident | 167 Ų | 167 | 92.3 Ų | 92.3 | 73% | 0.726 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -89.2 | -8.9 | 176.3 | -62.2 | -178.8 | 179.6 | -179.4 | 0 | 113.3 | L343 K344 | L343-K346 HydrophobicContact CB-CB 4.14Å; L343-K346 WeakPolarHBondContact O-CB 3.46Å; L343-K346 PolarHBondContact O-N 3.23Å; K344-K346 PolarHBondContact O-N 3.23Å; K344-K346 VanDerWaalsContact O-N 3.13Å |
| 347 | A | 66.8 | Low | 68.9 | Low | 10 Ų | 10 | 97.8 Ų | 97.8 | 8% | 0.083 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -72.2 | 147.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L340 L343 K344 A349 | L340-A347 HydrophobicContact CD2-CB 3.69Å; L343-A347 HydrophobicContact CB-CB 4.08Å; K344-A347 WeakPolarHBondContact O-CB 3.21Å; K344-A347 PolarHBondContact O-N 3.11Å; K344-A347 VanDerWaalsContact O-N 3.09Å; A347-A349 PolarHBondContact O-N 3.13Å |
| 348 | S | 63.5 | Low | 67.5 | Low | 40 Ų | 40 | 98.8 Ų | 98.8 | 28% | 0.28 | 54% | 0.544 | S | S | . | . | trans | -71 | 83.6 | 171.6 | -52.5 | 0 | 0 | 0 | 0 | 108.8 | D312 S335 | D312-S348 PolarHBondContact OD2-N 3.19Å; D312-S348 PolarHBondContact OD2-OG 3.38Å; S335-S348 WeakPolarHBondContact CB-O 3.37Å; S335-S348 PolarHBondContact N-O 3.44Å; S335-S348 VanDerWaalsContact OG-C 3.27Å; S335-S348 WeakPolarHBondContact OG-CA 3.42Å; S335-S348 WeakPolarHBondContact OG-CB 3.37Å; S335-S348 PolarHBondContact OG-N 2.89Å; S335-S348 PolarHBondContact OG-O 3.46Å | ||
| 349 | A | 58.5 | Low | 65.9 | Low | 67 Ų | 67 | 101.1 Ų | 101.1 | 55% | 0.554 | 56% | 0.557 | S | S | * | * | trans | -89.3 | 122.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L340 A347 | L340-A349 HydrophobicContact CD2-CB 4.16Å; A347-A349 PolarHBondContact O-N 3.13Å | ||
| 350 | H | 48 | Very low | 64.2 | Low | 81 Ų | 81 | 107.7 Ų | 107.7 | 38% | 0.375 | 59% | 0.593 | S | S | . | * | trans | -117.1 | 113.1 | 147.4 | -174.1 | 48.3 | 0 | 0 | 0 | 107.6 | ||||
| 351 | I | 45.6 | Very low | 62.3 | Low | 133 Ų | 133 | 112.4 Ų | 112.4 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | trans | -120.1 | 101.4 | 169.2 | -58.4 | 176.5 | 0 | 0 | 0 | 104.8 | ||||
| 352 | E | 38 | Very low | 60.3 | Low | 165 Ų | 165 | 111.8 Ų | 111.8 | 77% | 0.771 | 62% | 0.619 | S | S | * | * | trans | -83.8 | 127.3 | 159.5 | -99.7 | -179.6 | 176.3 | 0 | 0 | 108.3 | ||||
| 353 | A | 32.6 | Very low | 58.1 | Low | 170 Ų | 170 | 109 Ų | 109 | 100% | 1.405 | 61% | 0.607 | S | S | * | * | trans | -75.2 | 0 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 |
Retrieved 353 of 353 residues in 391.2 ms
(Link to these results)