| 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 | 36.1 | Very low | 45.7 | Very low | 241 Ų | 241 | 158.8 Ų | 158.8 | 100% | 1.187 | 79% | 0.786 | S | S | * | * | 0 | 87 | 0 | -131 | -174.1 | -66.4 | 0 | 0 | 107.1 | R3 | M1-R3 PolarHBondContact O-N 3.3Š| |||
| 2 | L | 33.1 | Very low | 48.6 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -79.8 | 103.1 | 179 | -78.5 | 157.6 | 0 | 0 | 0 | 107.4 | Y4 | L2-Y4 PolarHBondContact O-N 3.37Å; L2-Y4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | R | 37.6 | Very low | 51.6 | Low | 221 Ų | 221 | 147.9 Ų | 147.9 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -67.7 | 102.9 | 167 | -80.6 | -173.6 | -178.1 | -157 | 0.4 | 106.8 | M1 E5 | M1-R3 PolarHBondContact O-N 3.3Å; R3-E5 PolarHBondContact O-N 3.12Å | ||
| 4 | Y | 38.4 | Very low | 54.2 | Low | 202 Ų | 202 | 141.4 Ų | 141.4 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -67.3 | 87 | 157.7 | -74.7 | -90.2 | 0 | 0 | 0 | 106.9 | L2 V6 | L2-Y4 PolarHBondContact O-N 3.37Å; L2-Y4 VanDerWaalsContact O-N 3.08Å; Y4-V6 PolarHBondContact O-N 3.37Å | ||
| 5 | E | 36.7 | Very low | 56.4 | Low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -64 | 97.6 | 151.8 | -74.5 | 179.2 | 177.8 | 0 | 0 | 105 | R3 L7 | R3-E5 PolarHBondContact O-N 3.12Å; E5-L7 PolarHBondContact O-N 2.8Å | ||
| 6 | V | 39.9 | Very low | 58.2 | Low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 68% | 0.675 | S | S | * | * | trans | -59 | 97.1 | 163.8 | -179.4 | 0 | 0 | 0 | 0 | 104.4 | Y4 A8 | Y4-V6 PolarHBondContact O-N 3.37Å; V6-A8 PolarHBondContact O-N 3.18Å | ||
| 7 | L | 40.5 | Very low | 60 | Low | 156 Ų | 156 | 130.5 Ų | 130.5 | 82% | 0.817 | 66% | 0.661 | S | S | * | * | trans | -52.5 | 98 | 164.2 | -81.5 | 158.1 | 0 | 0 | 0 | 105.1 | E5 L9 | E5-L7 PolarHBondContact O-N 2.8Å; L7-L9 PolarHBondContact O-N 2.99Å | ||
| 8 | A | 49.7 | Very low | 61.5 | Low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | -54.5 | 109.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | V6 Q10 | V6-A8 PolarHBondContact O-N 3.18Å; A8-Q10 PolarHBondContact O-N 3.18Å | ||
| 9 | L | 54.2 | Low | 63 | Low | 156 Ų | 156 | 126.2 Ų | 126.2 | 82% | 0.817 | 66% | 0.657 | S | S | * | * | trans | -51.2 | 110.7 | 178.5 | -81.1 | 160.5 | 0 | 0 | 0 | 106.6 | L7 I11 | L7-L9 PolarHBondContact O-N 2.99Å; L9-I11 HydrophobicContact CB-CG1 4.37Å; L9-I11 PolarHBondContact O-N 2.87Å | ||
| 10 | Q | 63.6 | Low | 64.5 | Low | 189 Ų | 189 | 121.2 Ų | 121.2 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | trans | -74.4 | 90.6 | 177.1 | -166.8 | 175.2 | 10.5 | 0 | 0 | 106.3 | A8 A12 | A8-Q10 PolarHBondContact O-N 3.18Å; Q10-A12 PolarHBondContact O-N 3.1Å; Q10-A12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | I | 72.6 | Confident | 65.8 | Low | 54 Ų | 54 | 120.8 Ų | 120.8 | 28% | 0.277 | 62% | 0.624 | S | S | . | * | trans | -73.2 | 105.4 | -178.5 | -63.8 | 169.9 | 0 | 0 | 0 | 108.2 | L9 L33 Y35 I98 | L9-I11 HydrophobicContact CB-CG1 4.37Å; L9-I11 PolarHBondContact O-N 2.87Å; I11-L33 HydrophobicContact CB-CD2 4.44Å; I11-L33 HydrophobicContact CG1-CD2 4.21Å; I11-L33 HydrophobicContact CG2-CD2 3.75Å; I11-Y35 HydrophobicContact CD1-CD1 3.56Å; I11-Y35 HydrophobicContact CD1-CD2 3.43Å; I11-Y35 VanDerWaalsContact CD1-CD2 3.43Å; I11-Y35 HydrophobicContact CD1-CE1 3.87Å; I11-Y35 HydrophobicContact CD1-CE2 3.71Å; I11-Y35 HydrophobicContact CD1-CG 3.37Å; I11-I98 HydrophobicContact CG2-CD1 3.43Å; I11-I98 VanDerWaalsContact CG2-CD1 3.43Å; I11-I98 HydrophobicContact CG2-CG1 4.27Å | ||
| 12 | A | 80.8 | Confident | 68.7 | Low | 73 Ų | 73 | 112.5 Ų | 112.5 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 135.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q10 | Q10-A12 PolarHBondContact O-N 3.1Å; Q10-A12 VanDerWaalsContact O-N 3.08Å |
| 13 | R | 87.9 | Confident | 71.7 | Confident | 103 Ų | 103 | 107.6 Ų | 107.6 | 39% | 0.389 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -79.7 | 139.3 | 171.4 | -70.7 | 172.2 | 177.2 | -89 | -5.1 | 109.5 | T96 G97 I98 Q196 N198 | R13-T96 VanDerWaalsContact NH1-CB 3.35Å; R13-T96 PolarHBondContact NH1-O 3.07Å; R13-T96 PolarHBondContact NH1-OG1 3.5Å; R13-G97 CarbonylContact C-O 3.54Å; R13-G97 WeakPolarHBondContact CA-O 3.26Å; R13-I98 HydrophobicContact CG-CB 4.25Å; R13-I98 HydrophobicContact CG-CG2 4.34Å; R13-I98 VanDerWaalsContact NH1-CG2 3.28Å; R13-Q196 PolarHBondContact NH2-O 3.06Å; R13-N198 PolarHBondContact NH1-O 3.07Å; R13-N198 PolarHBondContact NH2-O 2.87Å |
| 14 | V | 87.5 | Confident | 74.3 | Confident | 56 Ų | 56 | 102.1 Ų | 102.1 | 34% | 0.339 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 134.4 | 165 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | V16 Y30 P32 G97 | V14-V16 PolarHBondContact O-N 3.21Å; V14-Y30 HydrophobicContact CB-CE2 4.37Å; V14-Y30 HydrophobicContact CG1-CD2 4.28Å; V14-Y30 HydrophobicContact CG1-CE2 4.28Å; V14-P32 HydrophobicContact CG2-CB 4.29Å; V14-G97 PolarHBondContact N-O 3.08Å; V14-G97 WeakPolarHBondContact O-CA 3.33Å |
| 15 | E | 86.9 | Confident | 76.9 | Confident | 148 Ų | 148 | 98.1 Ų | 98.1 | 69% | 0.692 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 130.3 | 176.6 | -166.5 | -176.3 | 169.7 | 0 | 0 | 110.9 | ||
| 16 | V | 86.6 | Confident | 79.6 | Confident | 22 Ų | 22 | 95 Ų | 95 | 13% | 0.133 | 54% | 0.543 | C | S | . | . | trans | -129.4 | 111.7 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | V14 R21 Y30 R95 | V14-V16 PolarHBondContact O-N 3.21Å; V16-R21 HydrophobicContact CG1-CB 4.06Å; V16-Y30 HydrophobicContact CG2-CD2 4.24Å; V16-Y30 HydrophobicContact CG2-CE2 3.54Å; V16-R95 HydrophobicContact CG1-CB 3.9Å; V16-R95 HydrophobicContact CG2-CB 4.1Å | ||
| 17 | T | 88.2 | Confident | 82 | Confident | 69 Ų | 69 | 91.3 Ų | 91.3 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | trans | -63.2 | 154.5 | 173.9 | 65.8 | 0 | 0 | 0 | 0 | 111 | S19 S20 R21 | T17-S19 PolarHBondContact O-N 3.45Å; T17-S19 PolarHBondContact OG1-OG 3.49Å; T17-S20 PolarHBondContact O-N 2.76Å; T17-S20 VanDerWaalsContact O-N 3.09Å; T17-S20 WeakPolarHBondContact OG1-CB 3.31Å; T17-S20 PolarHBondContact OG1-N 3.09Å; T17-S20 PolarHBondContact OG1-OG 3.28Å; T17-R21 PolarHBondContact O-N 3.05Å | ||
| 18 | S | 86.3 | Confident | 84.3 | Confident | 98 Ų | 98 | 88.7 Ų | 88.7 | 69% | 0.685 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.9 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 19 | S | 90.3 | Very high | 86.2 | Confident | 82 Ų | 82 | 91.4 Ų | 91.4 | 57% | 0.573 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -27.9 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | T17 | T17-S19 PolarHBondContact O-N 3.45Å; T17-S19 PolarHBondContact OG1-OG 3.49Å |
| 20 | S | 92.3 | Very high | 88.1 | Confident | 26 Ų | 26 | 85.3 Ų | 85.3 | 18% | 0.182 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.7 | 178.3 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | T17 R95 | T17-S20 PolarHBondContact O-N 2.76Å; T17-S20 VanDerWaalsContact O-N 3.09Å; T17-S20 WeakPolarHBondContact OG1-CB 3.31Å; T17-S20 PolarHBondContact OG1-N 3.09Å; T17-S20 PolarHBondContact OG1-OG 3.28Å; S20-R95 PolarHBondContact O-NH1 3.14Å |
| 21 | R | 93.1 | Very high | 89.4 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 43% | 0.426 | 47% | 0.469 | S | S | . | . | trans | -60 | -48.2 | 180 | -175.2 | 178.3 | -58.3 | 168.8 | 1.8 | 114 | V16 T17 W23 K93 G94 R95 | V16-R21 HydrophobicContact CG1-CB 4.06Å; T17-R21 PolarHBondContact O-N 3.05Å; R21-W23 PolarHBondContact O-N 3.37Å; R21-K93 WeakPolarHBondContact CD-O 3.26Å; R21-K93 WeakPolarHBondContact CG-O 3.48Å; R21-G94 CarbonylContact O-C 3.41Å; R21-G94 WeakPolarHBondContact O-CA 3.25Å; R21-R95 WeakPolarHBondContact CG-O 3.46Å; R21-R95 PolarHBondContact O-N 2.88Å | ||
| 22 | P | 96.3 | Very high | 90.4 | Very high | 66 Ų | 66 | 81.8 Ų | 81.8 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -62.3 | 135.5 | -176.7 | -22.4 | 34.7 | 0 | 0 | 0 | 112.2 | A24 K25 R95 | P22-A24 PolarHBondContact O-N 2.77Å; P22-K25 WeakPolarHBondContact O-CB 3.02Å; P22-K25 PolarHBondContact O-N 3.4Å; P22-R95 PolarHBondContact O-NH1 3.11Å |
| 23 | W | 95.7 | Very high | 90.9 | Very high | 53 Ų | 53 | 83 Ų | 83 | 20% | 0.201 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.3 | 179.3 | -65.3 | 116.1 | 0 | 0 | 0 | 113.7 | R21 K25 Y30 M83 L90 N91 R95 D200 | R21-W23 PolarHBondContact O-N 3.37Å; W23-K25 PolarHBondContact O-N 3.25Å; W23-Y30 HydrophobicContact CZ3-CE1 4.42Å; W23-M83 HydrophobicContact CB-CE 3.64Å; W23-M83 HydrophobicContact CG-CE 4.05Å; W23-L90 HydrophobicContact CD2-CB 4.37Å; W23-L90 HydrophobicContact CD2-CD1 4.08Å; W23-L90 HydrophobicContact CD2-CD2 4.42Å; W23-L90 HydrophobicContact CE3-CD1 4.42Å; W23-L90 HydrophobicContact CE3-CD2 4.48Å; W23-L90 HydrophobicContact CG-CB 4.49Å; W23-L90 HydrophobicContact CG-CD1 4.15Å; W23-L90 HydrophobicContact CH2-CD2 4.09Å; W23-L90 HydrophobicContact CZ2-CB 4.28Å; W23-L90 HydrophobicContact CZ2-CD2 4Å; W23-L90 HydrophobicContact CZ3-CD2 4.31Å; W23-N91 PolarHBondContact NE1-O 3.21Å; W23-R95 HydrophobicContact CD2-CG 4.42Å; W23-R95 HydrophobicContact CE3-CG 3.8Å; W23-R95 HydrophobicContact CH2-CB 4.39Å; W23-R95 HydrophobicContact CH2-CG 3.64Å; W23-R95 HydrophobicContact CZ2-CG 4.28Å; W23-R95 HydrophobicContact CZ3-CG 3.38Å; W23-D200 HydrophobicContact CH2-CB 3.73Å; W23-D200 HydrophobicContact CZ2-CB 3.98Å |
| 24 | A | 93.9 | Very high | 91.2 | Very high | 105 Ų | 105 | 81.9 Ų | 81.9 | 87% | 0.868 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P22 | P22-A24 PolarHBondContact O-N 2.77Š|
| 25 | K | 93.3 | Very high | 91.5 | Very high | 119 Ų | 119 | 82.4 Ų | 82.4 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -82.4 | 123.6 | 172.5 | -172.1 | 65.9 | 177.2 | 179.6 | 0 | 109.3 | P22 W23 M27 R95 | P22-K25 WeakPolarHBondContact O-CB 3.02Å; P22-K25 PolarHBondContact O-N 3.4Å; W23-K25 PolarHBondContact O-N 3.25Å; K25-M27 PolarHBondContact O-N 2.83Å; K25-R95 PolarHBondContact O-NH1 2.98Å; K25-R95 PolarHBondContact O-NH2 3Å |
| 26 | S | 91.4 | Very high | 91.8 | Very high | 92 Ų | 92 | 76.8 Ų | 76.8 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | trans | -62.7 | 131.6 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 27 | M | 91.8 | Very high | 92 | Very high | 51 Ų | 51 | 80.1 Ų | 80.1 | 25% | 0.251 | 45% | 0.445 | S | S | . | . | trans | -144.4 | 78 | 173.5 | -166.6 | 179.7 | 173.6 | 0 | 0 | 108 | K25 N29 Y30 | K25-M27 PolarHBondContact O-N 2.83Å; M27-N29 PolarHBondContact O-N 2.84Å; M27-N29 VanDerWaalsContact O-N 3.16Å; M27-Y30 HydrophobicContact CE-CD2 3.96Å; M27-Y30 VanDerWaalsContact O-CB 3.27Å; M27-Y30 WeakPolarHBondContact O-CB 3.41Å; M27-Y30 PolarHBondContact O-N 3.28Å; M27-Y30 VanDerWaalsContact O-N 3.07Å; M27-Y30 HydrophobicContact SD-CD2 3.81Å; M27-Y30 HydrophobicContact SD-CG 4.06Å | ||
| 28 | P | 88.8 | Confident | 92 | Very high | 101 Ų | 101 | 85.6 Ų | 85.6 | 66% | 0.656 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.6 | -170 | -26 | 35.5 | 0 | 0 | 0 | 114.4 | Y30 H31 | P28-Y30 VanDerWaalsContact C-N 3.32Å; P28-H31 PolarHBondContact O-CE1 3.39Å |
| 29 | N | 88.6 | Confident | 91.9 | Very high | 144 Ų | 144 | 82.6 Ų | 82.6 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 8.9 | -178.4 | -61.5 | -18.6 | 0 | 0 | 0 | 113.2 | M27 H31 | M27-N29 PolarHBondContact O-N 2.84Å; M27-N29 VanDerWaalsContact O-N 3.16Å; N29-H31 VanDerWaalsContact C-ND1 3.32Å; N29-H31 PolarHBondContact O-N 2.86Å; N29-H31 PolarHBondContact O-ND1 3.02Å; N29-H31 VanDerWaalsContact O-ND1 3.14Å |
| 30 | Y | 93.8 | Very high | 91.4 | Very high | 28 Ų | 28 | 82.2 Ų | 82.2 | 11% | 0.11 | 44% | 0.436 | C | S | . | . | trans | -77 | 94.2 | -179.9 | -174.8 | -109.7 | 0 | 0 | 0 | 111.5 | V14 V16 W23 M27 P28 P32 R95 G97 D200 | V14-Y30 HydrophobicContact CB-CE2 4.37Å; V14-Y30 HydrophobicContact CG1-CD2 4.28Å; V14-Y30 HydrophobicContact CG1-CE2 4.28Å; V16-Y30 HydrophobicContact CG2-CD2 4.24Å; V16-Y30 HydrophobicContact CG2-CE2 3.54Å; W23-Y30 HydrophobicContact CZ3-CE1 4.42Å; M27-Y30 HydrophobicContact CE-CD2 3.96Å; M27-Y30 VanDerWaalsContact O-CB 3.27Å; M27-Y30 WeakPolarHBondContact O-CB 3.41Å; M27-Y30 PolarHBondContact O-N 3.28Å; M27-Y30 VanDerWaalsContact O-N 3.07Å; M27-Y30 HydrophobicContact SD-CD2 3.81Å; M27-Y30 HydrophobicContact SD-CG 4.06Å; P28-Y30 VanDerWaalsContact C-N 3.32Å; Y30-P32 VanDerWaalsContact C-CD 3.48Å; Y30-P32 HydrophobicContact CD1-CG 4.18Å; Y30-P32 HydrophobicContact CE1-CB 4.39Å; Y30-P32 HydrophobicContact CE1-CG 3.55Å; Y30-P32 HydrophobicContact CE2-CB 4.29Å; Y30-P32 HydrophobicContact CE2-CG 4.28Å; Y30-P32 WeakPolarHBondContact O-CD 3.39Å; Y30-R95 HydrophobicContact CD1-CG 4.01Å; Y30-R95 HydrophobicContact CE1-CB 4.06Å; Y30-R95 HydrophobicContact CE1-CG 3.56Å; Y30-R95 HydrophobicContact CE2-CB 4.16Å; Y30-R95 HydrophobicContact CE2-CG 4.33Å; Y30-G97 WeakPolarHBondContact OH-CA 3.21Å; Y30-G97 PolarHBondContact OH-N 2.93Å; Y30-D200 WeakPolarHBondContact CE1-OD2 3.44Å; Y30-D200 VanDerWaalsContact CZ-OD2 3.25Å; Y30-D200 PolarHBondContact OH-OD1 2.91Å; Y30-D200 VanDerWaalsContact OH-OD1 3.07Å; Y30-D200 PolarHBondContact OH-OD2 2.89Å | ||
| 31 | H | 91.4 | Very high | 90.1 | Very high | 148 Ų | 148 | 85.4 Ų | 85.4 | 69% | 0.685 | 46% | 0.458 | S | S | * | . | trans | -121.8 | 73 | 176.9 | -58.4 | 90.8 | 0 | 0 | 0 | 109.5 | P28 N29 | P28-H31 PolarHBondContact O-CE1 3.39Å; N29-H31 VanDerWaalsContact C-ND1 3.32Å; N29-H31 PolarHBondContact O-N 2.86Å; N29-H31 PolarHBondContact O-ND1 3.02Å; N29-H31 VanDerWaalsContact O-ND1 3.14Å | ||
| 32 | P | 93.6 | Very high | 88.7 | Confident | 21 Ų | 21 | 88.3 Ų | 88.3 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -65 | 151.6 | 176.5 | 31.8 | -38.3 | 0 | 0 | 0 | 110.8 | V14 Y30 T34 G97 A99 | V14-P32 HydrophobicContact CG2-CB 4.29Å; Y30-P32 VanDerWaalsContact C-CD 3.48Å; Y30-P32 HydrophobicContact CD1-CG 4.18Å; Y30-P32 HydrophobicContact CE1-CB 4.39Å; Y30-P32 HydrophobicContact CE1-CG 3.55Å; Y30-P32 HydrophobicContact CE2-CB 4.29Å; Y30-P32 HydrophobicContact CE2-CG 4.28Å; Y30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-T34 PolarHBondContact O-N 3.33Å; P32-G97 VanDerWaalsContact CB-O 3.3Å; P32-G97 WeakPolarHBondContact CB-O 3.48Å; P32-A99 HydrophobicContact CG-CB 3.82Å |
| 33 | L | 92.6 | Very high | 87.4 | Confident | 98 Ų | 98 | 91.9 Ų | 91.9 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 136.2 | 168.1 | -173.7 | 71.9 | 0 | 0 | 0 | 108.9 | I11 I98 A99 | I11-L33 HydrophobicContact CB-CD2 4.44Å; I11-L33 HydrophobicContact CG1-CD2 4.21Å; I11-L33 HydrophobicContact CG2-CD2 3.75Å; L33-I98 WeakPolarHBondContact O-CG1 3.32Å; L33-A99 PolarHBondContact O-N 3.49Å |
| 34 | T | 93.5 | Very high | 86.1 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 49% | 0.485 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.8 | 170.3 | -61.9 | 0 | 0 | 0 | 0 | 109 | P32 A99 | P32-T34 PolarHBondContact O-N 3.33Å; T34-A99 WeakPolarHBondContact CA-O 3.48Å |
| 35 | Y | 93.3 | Very high | 85.7 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 27% | 0.267 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.4 | 174.8 | 176.4 | -123.4 | 0 | 0 | 0 | 110 | I11 I98 A99 G100 R101 G102 | I11-Y35 HydrophobicContact CD1-CD1 3.56Å; I11-Y35 HydrophobicContact CD1-CD2 3.43Å; I11-Y35 VanDerWaalsContact CD1-CD2 3.43Å; I11-Y35 HydrophobicContact CD1-CE1 3.87Å; I11-Y35 HydrophobicContact CD1-CE2 3.71Å; I11-Y35 HydrophobicContact CD1-CG 3.37Å; Y35-I98 HydrophobicContact CD1-CD1 4.45Å; Y35-A99 PolarHBondContact N-O 3.45Å; Y35-G100 CarbonylContact O-C 3.36Å; Y35-G100 WeakPolarHBondContact O-CA 3.28Å; Y35-R101 PolarHBondContact O-N 2.79Å; Y35-G102 WeakPolarHBondContact O-CA 3.02Å; Y35-G102 PolarHBondContact O-N 2.97Å |
| 36 | T | 93.5 | Very high | 85.7 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 18% | 0.184 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 113.7 | 172.3 | -66.1 | 0 | 0 | 0 | 0 | 106 | E38 R101 W107 | T36-E38 PolarHBondContact O-N 2.92Å; T36-R101 HydrophobicContact CG2-CB 4.06Å; T36-R101 PolarHBondContact OG1-N 2.92Å; T36-W107 HydrophobicContact CG2-CZ2 4.23Å |
| 37 | R | 91.3 | Very high | 85.9 | Confident | 91 Ų | 91 | 83.8 Ų | 83.8 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 134.3 | 174.8 | -176.4 | 178.8 | 68.8 | -137.6 | -2.2 | 109.3 | R101 G102 D103 N105 | R37-R101 PolarHBondContact O-NH2 3.41Å; R37-G102 PolarHBondContact N-O 3.2Å; R37-D103 IonicContact CZ-OD1 3.69Å; R37-D103 PolarHBondContact NH1-O 3.46Å; R37-D103 IonicContact NH1-OD1 3.34Å; R37-D103 PolarHBondContact NH1-OD1 2.86Å; R37-D103 PolarHBondContact NH2-O 3.12Å; R37-N105 PolarHBondContact NH2-OD1 3.17Å |
| 38 | E | 88.6 | Confident | 85.9 | Confident | 185 Ų | 185 | 83.3 Ų | 83.3 | 86% | 0.864 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 140.1 | 176 | -69.2 | -173 | 170.4 | 0 | 0 | 111.6 | T36 | T36-E38 PolarHBondContact O-N 2.92Š|
| 39 | C | 83.5 | Confident | 86.1 | Confident | 34 Ų | 34 | 81.1 Ų | 81.1 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 137.2 | 177 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | S41 C46 | C39-S41 PolarHBondContact O-N 2.73Å; C39-C46 WeakPolarHBondContact CA-SG 3.44Å; C39-C46 HydrophobicContact CB-CB 3.86Å; C39-C46 WeakPolarHBondContact CB-SG 3.27Å; C39-C46 WeakPolarHBondContact SG-CA 3.38Å; C39-C46 WeakPolarHBondContact SG-CB 3.37Å; C39-C46 PolarHBondContact SG-N 3.15Å; C39-C46 PolarHBondContact SG-O 3.01Å; C39-C46 CovalentContact SG-SG 2.02Å; C39-C46 PolarHBondContact SG-SG 3.31Å |
| 40 | N | 79.3 | Confident | 86.3 | Confident | 74 Ų | 74 | 75.3 Ų | 75.3 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | trans | -73.9 | 100.1 | 168.6 | -172.1 | -14.9 | 0 | 0 | 0 | 109.3 | Q42 Q43 N44 | N40-Q42 PolarHBondContact O-N 3.47Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.12Å; N40-Q42 PolarHBondContact OD1-N 3.01Å; N40-Q43 PolarHBondContact O-N 3.47Å; N40-Q43 VanDerWaalsContact O-N 3.12Å; N40-N44 PolarHBondContact O-N 3.22Å | ||
| 41 | S | 64.7 | Low | 86.2 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 65% | 0.65 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.3 | 179.9 | 55 | 0 | 0 | 0 | 0 | 113.4 | C39 Q43 N44 | C39-S41 PolarHBondContact O-N 2.73Å; S41-Q43 PolarHBondContact O-N 3.18Å; S41-N44 PolarHBondContact O-OD1 3.01Å; S41-N44 VanDerWaalsContact O-OD1 3.13Å |
| 42 | Q | 63.7 | Low | 86.3 | Confident | 175 Ų | 175 | 74.5 Ų | 74.5 | 82% | 0.818 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -21.9 | 179.8 | -61.3 | -176.1 | -13.2 | 0 | 0 | 113.1 | N40 | N40-Q42 PolarHBondContact O-N 3.47Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.12Å; N40-Q42 PolarHBondContact OD1-N 3.01Å |
| 43 | Q | 68.9 | Low | 86.2 | Confident | 140 Ų | 140 | 81.8 Ų | 81.8 | 65% | 0.654 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -9.7 | -177.7 | -67 | -178.2 | -6.7 | 0 | 0 | 113.3 | N40 S41 S45 | N40-Q43 PolarHBondContact O-N 3.47Å; N40-Q43 VanDerWaalsContact O-N 3.12Å; S41-Q43 PolarHBondContact O-N 3.18Å; Q43-S45 PolarHBondContact O-N 3.41Å |
| 44 | N | 68.2 | Low | 86.2 | Confident | 134 Ų | 134 | 84 Ų | 84 | 72% | 0.717 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | 35.5 | -170.8 | -75.2 | -15.2 | 0 | 0 | 0 | 112.7 | N40 S41 C46 | N40-N44 PolarHBondContact O-N 3.22Å; S41-N44 PolarHBondContact O-OD1 3.01Å; S41-N44 VanDerWaalsContact O-OD1 3.13Å; N44-C46 VanDerWaalsContact C-N 3.3Å; N44-C46 PolarHBondContact O-N 3.25Å |
| 45 | S | 85.3 | Confident | 86.2 | Confident | 44 Ų | 44 | 81.6 Ų | 81.6 | 31% | 0.308 | 43% | 0.427 | S | S | . | . | trans | -80.4 | -16.3 | -171.1 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | Q43 R106 | Q43-S45 PolarHBondContact O-N 3.41Å; S45-R106 PolarHBondContact O-NH1 2.89Å; S45-R106 PolarHBondContact O-NH2 2.89Å | ||
| 46 | C | 93.6 | Very high | 86.2 | Confident | 15 Ų | 15 | 85.4 Ų | 85.4 | 10% | 0.101 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -138.4 | 157.9 | -179.1 | 27 | 0 | 0 | 0 | 0 | 110.1 | C39 N44 N105 | C39-C46 WeakPolarHBondContact CA-SG 3.44Å; C39-C46 HydrophobicContact CB-CB 3.86Å; C39-C46 WeakPolarHBondContact CB-SG 3.27Å; C39-C46 WeakPolarHBondContact SG-CA 3.38Å; C39-C46 WeakPolarHBondContact SG-CB 3.37Å; C39-C46 PolarHBondContact SG-N 3.15Å; C39-C46 PolarHBondContact SG-O 3.01Å; C39-C46 CovalentContact SG-SG 2.02Å; C39-C46 PolarHBondContact SG-SG 3.31Å; N44-C46 VanDerWaalsContact C-N 3.3Å; N44-C46 PolarHBondContact O-N 3.25Å; C46-N105 CarbonylContact C-O 3.5Å; C46-N105 VanDerWaalsContact CA-O 3.27Å; C46-N105 WeakPolarHBondContact CA-O 3.47Å; C46-N105 HydrophobicContact CB-CB 4.18Å; C46-N105 WeakPolarHBondContact CB-O 3.32Å |
| 47 | D | 95.2 | Very high | 86.4 | Confident | 7 Ų | 7 | 85.1 Ų | 85.1 | 4% | 0.037 | 45% | 0.445 | C | S | . | . | trans | -60.5 | 151.4 | 166.3 | -70.9 | -18.5 | 0 | 0 | 0 | 108.8 | F55 R68 R101 N105 R106 W107 | D47-F55 HydrophobicContact CB-CE1 4.24Å; D47-F55 HydrophobicContact CB-CE2 3.91Å; D47-F55 HydrophobicContact CB-CZ 3.6Å; D47-F55 WeakPolarHBondContact OD2-CZ 3.4Å; D47-R68 IonicContact OD1-CZ 2.87Å; D47-R68 IonicContact OD1-NH1 2.8Å; D47-R68 IonicContact OD1-NH2 3.92Å; D47-R68 PolarHBondContact OD1-NH2 3.39Å; D47-R68 IonicContact OD2-CZ 3.5Å; D47-R68 IonicContact OD2-NH1 3.73Å; D47-R68 PolarHBondContact OD2-NH1 3.33Å; D47-R68 IonicContact OD2-NH2 2.76Å; D47-R68 PolarHBondContact OD2-NH2 3.01Å; D47-R101 VanDerWaalsContact C-NH1 3.33Å; D47-R101 PolarHBondContact O-NH1 2.8Å; D47-R101 PolarHBondContact O-NH2 3.38Å; D47-R101 VanDerWaalsContact O-NH2 3.13Å; D47-N105 PolarHBondContact N-O 2.85Å; D47-R106 VanDerWaalsContact OD2-CA 3.27Å; D47-R106 WeakPolarHBondContact OD2-CA 3.38Å; D47-W107 PolarHBondContact OD2-N 3.44Å | ||
| 48 | P | 93.1 | Very high | 86.6 | Confident | 40 Ų | 40 | 85.4 Ų | 85.4 | 26% | 0.26 | 45% | 0.45 | S | S | . | . | trans | -74.5 | -174.2 | 165.9 | 33.5 | -36.8 | 0 | 0 | 0 | 110.7 | D52 F55 R101 W107 | P48-D52 HydrophobicContact CB-CB 3.9Å; P48-D52 HydrophobicContact CG-CB 3.93Å; P48-F55 HydrophobicContact CG-CB 3.53Å; P48-F55 HydrophobicContact CG-CD1 4.14Å; P48-F55 HydrophobicContact CG-CD2 3.73Å; P48-F55 HydrophobicContact CG-CG 3.52Å; P48-R101 PolarHBondContact O-NH1 2.97Å; P48-W107 PolarHBondContact O-NE1 3.44Å | ||
| 49 | D | 92.6 | Very high | 87.1 | Confident | 56 Ų | 56 | 78 Ų | 78 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | trans | -62.1 | 152.5 | 171.1 | -165.1 | -88.5 | 0 | 0 | 0 | 110.5 | S51 D52 | D49-S51 PolarHBondContact O-N 3.34Å; D49-S51 PolarHBondContact OD1-N 3.07Å; D49-S51 PolarHBondContact OD1-OG 3.45Å; D49-D52 VanDerWaalsContact O-CB 3.29Å; D49-D52 WeakPolarHBondContact O-CB 3.41Å; D49-D52 PolarHBondContact O-N 3.27Å | ||
| 50 | I | 93.6 | Very high | 87.8 | Confident | 22 Ų | 22 | 78.4 Ų | 78.4 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.8 | -178.9 | -161.4 | 63.6 | 0 | 0 | 0 | 112.7 | F55 P57 F59 S87 R88 W107 | I50-F55 HydrophobicContact CD1-CD1 4.06Å; I50-F55 HydrophobicContact CD1-CE1 3.69Å; I50-P57 HydrophobicContact CD1-CG 4.23Å; I50-F59 HydrophobicContact CD1-CE2 4.37Å; I50-F59 HydrophobicContact CD1-CZ 3.97Å; I50-S87 WeakPolarHBondContact CD1-O 3.48Å; I50-R88 HydrophobicContact CG1-CG 4.13Å; I50-R88 HydrophobicContact CG2-CG 4.12Å; I50-W107 HydrophobicContact CB-CD2 4.17Å; I50-W107 HydrophobicContact CB-CE3 4.45Å; I50-W107 HydrophobicContact CB-CH2 3.95Å; I50-W107 HydrophobicContact CB-CZ2 3.64Å; I50-W107 HydrophobicContact CB-CZ3 4.35Å; I50-W107 HydrophobicContact CD1-CD2 4.27Å; I50-W107 HydrophobicContact CD1-CG 4.24Å; I50-W107 HydrophobicContact CG2-CH2 3.89Å; I50-W107 HydrophobicContact CG2-CZ2 3.97Å; I50-W107 HydrophobicContact CG2-CZ3 4.42Å |
| 51 | S | 91.9 | Very high | 88.6 | Confident | 94 Ų | 94 | 79.9 Ų | 79.9 | 66% | 0.657 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 3 | 173.6 | 69.1 | 0 | 0 | 0 | 0 | 114.3 | D49 E53 | D49-S51 PolarHBondContact O-N 3.34Å; D49-S51 PolarHBondContact OD1-N 3.07Å; D49-S51 PolarHBondContact OD1-OG 3.45Å; S51-E53 PolarHBondContact O-N 3.43Å |
| 52 | D | 92.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 79 Ų | 79 | 35% | 0.348 | 41% | 0.407 | S | S | . | . | trans | -64.5 | 124.7 | 174.9 | -171.1 | -56 | 0 | 0 | 0 | 110.1 | P48 D49 N54 F55 | P48-D52 HydrophobicContact CB-CB 3.9Å; P48-D52 HydrophobicContact CG-CB 3.93Å; D49-D52 VanDerWaalsContact O-CB 3.29Å; D49-D52 WeakPolarHBondContact O-CB 3.41Å; D49-D52 PolarHBondContact O-N 3.27Å; D52-N54 PolarHBondContact O-N 3.06Å; D52-N54 VanDerWaalsContact O-N 3.13Å; D52-N54 PolarHBondContact OD1-N 3.19Å; D52-F55 HydrophobicContact CB-CB 3.91Å; D52-F55 PolarHBondContact O-N 3.38Å | ||
| 53 | E | 92.2 | Very high | 91.7 | Very high | 173 Ų | 173 | 72.2 Ų | 72.2 | 81% | 0.808 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.4 | -175.9 | -65.4 | -179.2 | 176.9 | 0 | 0 | 113.4 | S51 H56 | S51-E53 PolarHBondContact O-N 3.43Å; E53-H56 PolarHBondContact O-CE1 2.88Å |
| 54 | N | 91.6 | Very high | 93 | Very high | 146 Ų | 146 | 68.1 Ų | 68.1 | 78% | 0.781 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 0.3 | 178.2 | -60.9 | -66.9 | 0 | 0 | 0 | 112.5 | D52 | D52-N54 PolarHBondContact O-N 3.06Å; D52-N54 VanDerWaalsContact O-N 3.13Å; D52-N54 PolarHBondContact OD1-N 3.19Å |
| 55 | F | 93.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 66.5 Ų | 66.5 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | trans | -103.1 | 101.8 | -175.1 | -174.5 | -122.4 | 0 | 0 | 0 | 112.6 | D47 P48 I50 D52 P57 W107 | D47-F55 HydrophobicContact CB-CE1 4.24Å; D47-F55 HydrophobicContact CB-CE2 3.91Å; D47-F55 HydrophobicContact CB-CZ 3.6Å; D47-F55 WeakPolarHBondContact OD2-CZ 3.4Å; P48-F55 HydrophobicContact CG-CB 3.53Å; P48-F55 HydrophobicContact CG-CD1 4.14Å; P48-F55 HydrophobicContact CG-CD2 3.73Å; P48-F55 HydrophobicContact CG-CG 3.52Å; I50-F55 HydrophobicContact CD1-CD1 4.06Å; I50-F55 HydrophobicContact CD1-CE1 3.69Å; D52-F55 HydrophobicContact CB-CB 3.91Å; D52-F55 PolarHBondContact O-N 3.38Å; F55-P57 VanDerWaalsContact C-CD 3.44Å; F55-P57 HydrophobicContact CD1-CG 4.2Å; F55-P57 HydrophobicContact CE1-CB 4.23Å; F55-P57 HydrophobicContact CE1-CG 3.64Å; F55-P57 HydrophobicContact CE2-CB 4.1Å; F55-P57 HydrophobicContact CE2-CG 4.29Å; F55-P57 HydrophobicContact CZ-CB 3.73Å; F55-P57 HydrophobicContact CZ-CG 3.67Å; F55-P57 VanDerWaalsContact O-CD 3.28Å; F55-P57 WeakPolarHBondContact O-CD 3.2Å; F55-W107 AromaticContact CE1-CD1 3.46Å; F55-W107 VanDerWaalsContact CE1-CD1 3.46Å; F55-W107 HydrophobicContact CE1-CG 4.28Å; F55-W107 AromaticContact CE1-NE1 3.97Å; F55-W107 AromaticContact CZ-CD1 3.82Å | ||
| 56 | H | 95 | Very high | 94.8 | Very high | 148 Ų | 148 | 65.9 Ų | 65.9 | 69% | 0.685 | 36% | 0.362 | S | S | * | . | trans | -121.6 | 69.6 | -177 | -62.3 | 72 | 0 | 0 | 0 | 111.4 | E53 | E53-H56 PolarHBondContact O-CE1 2.88Š| ||
| 57 | P | 96.1 | Very high | 95 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | trans | -67.9 | 137.4 | -174.4 | 28.3 | -37 | 0 | 0 | 0 | 113.2 | I50 F55 F59 D63 | I50-P57 HydrophobicContact CD1-CG 4.23Å; F55-P57 VanDerWaalsContact C-CD 3.44Å; F55-P57 HydrophobicContact CD1-CG 4.2Å; F55-P57 HydrophobicContact CE1-CB 4.23Å; F55-P57 HydrophobicContact CE1-CG 3.64Å; F55-P57 HydrophobicContact CE2-CB 4.1Å; F55-P57 HydrophobicContact CE2-CG 4.29Å; F55-P57 HydrophobicContact CZ-CB 3.73Å; F55-P57 HydrophobicContact CZ-CG 3.67Å; F55-P57 VanDerWaalsContact O-CD 3.28Å; F55-P57 WeakPolarHBondContact O-CD 3.2Å; P57-F59 HydrophobicContact CB-CD1 4.38Å; P57-F59 HydrophobicContact CB-CE1 3.89Å; P57-F59 HydrophobicContact CB-CE2 4.19Å; P57-F59 HydrophobicContact CB-CZ 3.78Å; P57-F59 HydrophobicContact CG-CD2 4.28Å; P57-F59 HydrophobicContact CG-CE1 3.9Å; P57-F59 HydrophobicContact CG-CE2 3.48Å; P57-F59 VanDerWaalsContact CG-CE2 3.48Å; P57-F59 HydrophobicContact CG-CZ 3.25Å; P57-F59 PolarHBondContact O-N 2.92Å; P57-D63 WeakPolarHBondContact CA-OD2 3.29Å | ||
| 58 | Q | 97.1 | Very high | 95.1 | Very high | 98 Ų | 98 | 65.1 Ų | 65.1 | 46% | 0.458 | 36% | 0.356 | S | S | . | . | trans | -88.4 | 84.2 | 173 | -60.2 | 179.8 | 37.1 | 0 | 0 | 110.3 | E61 D63 | Q58-E61 HydrophobicContact CB-CB 4.17Å; Q58-E61 PolarHBondContact O-N 3.35Å; Q58-E61 PolarHBondContact OE1-OE2 2.93Å; Q58-D63 HydrophobicContact CB-CB 3.99Å; Q58-D63 PolarHBondContact N-OD2 2.94Å; Q58-D63 VanDerWaalsContact N-OD2 3.12Å | ||
| 59 | F | 97.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 66.5 Ų | 66.5 | 13% | 0.127 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 144.9 | -178.8 | -67.4 | -54.8 | 0 | 0 | 0 | 112.9 | I50 P57 E61 Y82 T84 S87 P89 W107 | I50-F59 HydrophobicContact CD1-CE2 4.37Å; I50-F59 HydrophobicContact CD1-CZ 3.97Å; P57-F59 HydrophobicContact CB-CD1 4.38Å; P57-F59 HydrophobicContact CB-CE1 3.89Å; P57-F59 HydrophobicContact CB-CE2 4.19Å; P57-F59 HydrophobicContact CB-CZ 3.78Å; P57-F59 HydrophobicContact CG-CD2 4.28Å; P57-F59 HydrophobicContact CG-CE1 3.9Å; P57-F59 HydrophobicContact CG-CE2 3.48Å; P57-F59 VanDerWaalsContact CG-CE2 3.48Å; P57-F59 HydrophobicContact CG-CZ 3.25Å; P57-F59 PolarHBondContact O-N 2.92Å; F59-E61 PolarHBondContact O-N 2.98Å; F59-Y82 WeakPolarHBondContact CA-OH 3.48Å; F59-Y82 HydrophobicContact CB-CE2 3.83Å; F59-Y82 WeakPolarHBondContact CB-OH 3.45Å; F59-Y82 HydrophobicContact CD1-CE2 4.21Å; F59-Y82 WeakPolarHBondContact CD1-OH 3.38Å; F59-Y82 HydrophobicContact CG-CE2 4.2Å; F59-T84 HydrophobicContact CB-CG2 4.1Å; F59-T84 HydrophobicContact CD2-CG2 3.9Å; F59-T84 HydrophobicContact CG-CG2 4.2Å; F59-S87 WeakPolarHBondContact CE2-O 3.43Å; F59-P89 HydrophobicContact CD1-CB 4.22Å; F59-P89 HydrophobicContact CD1-CG 4.24Å; F59-P89 HydrophobicContact CE1-CB 4.22Å; F59-P89 HydrophobicContact CE1-CG 3.74Å; F59-P89 HydrophobicContact CZ-CG 3.98Å; F59-W107 HydrophobicContact CE1-CB 3.97Å; F59-W107 HydrophobicContact CZ-CB 4.13Å |
| 60 | N | 97.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 65.4 Ų | 65.4 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 18.3 | -172.3 | -58.8 | -75 | 0 | 0 | 0 | 114.6 | R68 R69 I81 Y82 | N60-R68 PolarHBondContact N-O 3.29Å; N60-R69 VanDerWaalsContact C-CG 3.41Å; N60-R69 WeakPolarHBondContact O-CG 3.43Å; N60-I81 HydrophobicContact CB-CG2 4.44Å; N60-I81 WeakPolarHBondContact OD1-CA 3.16Å; N60-Y82 PolarHBondContact N-OH 3.41Å; N60-Y82 PolarHBondContact ND2-O 3.34Å; N60-Y82 WeakPolarHBondContact OD1-CD1 3.5Å; N60-Y82 WeakPolarHBondContact OD1-CE1 3.42Å; N60-Y82 PolarHBondContact OD1-N 2.92Å |
| 61 | E | 97.1 | Very high | 95.6 | Very high | 105 Ų | 105 | 65 Ų | 65 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -130.4 | 171.2 | 179.4 | -61.2 | -173.5 | -152.2 | 0 | 0 | 112 | Q58 F59 D63 R68 | Q58-E61 HydrophobicContact CB-CB 4.17Å; Q58-E61 PolarHBondContact O-N 3.35Å; Q58-E61 PolarHBondContact OE1-OE2 2.93Å; F59-E61 PolarHBondContact O-N 2.98Å; E61-D63 PolarHBondContact O-N 3.39Å; E61-R68 WeakPolarHBondContact O-CA 3.46Å; E61-R68 WeakPolarHBondContact O-CB 3.39Å; E61-R68 PolarHBondContact O-N 3.04Å |
| 62 | L | 97.1 | Very high | 95.6 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 40% | 0.398 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 96 | 165.1 | 179 | 62.9 | 0 | 0 | 0 | 107.4 | G64 D67 | L62-G64 PolarHBondContact O-N 3.38Å; L62-D67 HydrophobicContact CD1-CB 3.98Å |
| 63 | D | 96.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 65 Ų | 65 | 17% | 0.166 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 85.8 | -175 | -174.5 | 17.5 | 0 | 0 | 0 | 110.1 | P57 Q58 E61 I66 R68 | P57-D63 WeakPolarHBondContact CA-OD2 3.29Å; Q58-D63 HydrophobicContact CB-CB 3.99Å; Q58-D63 PolarHBondContact N-OD2 2.94Å; Q58-D63 VanDerWaalsContact N-OD2 3.12Å; E61-D63 PolarHBondContact O-N 3.39Å; D63-I66 PolarHBondContact N-O 2.84Å; D63-I66 PolarHBondContact O-N 3.47Å; D63-R68 HydrophobicContact CB-CG 4Å; D63-R68 IonicContact OD2-CZ 2.9Å; D63-R68 IonicContact OD2-NE 3.94Å; D63-R68 PolarHBondContact OD2-NE 2.73Å; D63-R68 IonicContact OD2-NH2 3.02Å |
| 64 | G | 95.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 57% | 0.567 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | -120.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L62 I66 | L62-G64 PolarHBondContact O-N 3.38Å; G64-I66 VanDerWaalsContact C-N 3.32Å |
| 65 | P | 94.5 | Very high | 94.6 | Very high | 100 Ų | 100 | 61.2 Ų | 61.2 | 65% | 0.649 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.9 | 176.3 | 33.4 | -33.1 | 0 | 0 | 0 | 113.7 | ||
| 66 | I | 96.7 | Very high | 94 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.3 | -172.7 | -57.3 | 175.6 | 0 | 0 | 0 | 109.4 | D63 G64 R68 R106 D146 | D63-I66 PolarHBondContact N-O 2.84Å; D63-I66 PolarHBondContact O-N 3.47Å; G64-I66 VanDerWaalsContact C-N 3.32Å; I66-R68 HydrophobicContact CG2-CG 3.95Å; I66-R68 PolarHBondContact O-N 3.3Å; I66-R106 HydrophobicContact CG2-CG 4.46Å; I66-D146 HydrophobicContact CG1-CB 4.41Å |
| 67 | D | 97.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 107.1 | 171 | -161.6 | -17.9 | 0 | 0 | 0 | 109.2 | L62 R69 H111 D146 | L62-D67 HydrophobicContact CD1-CB 3.98Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 WeakPolarHBondContact OD1-CB 3.43Å; D67-R69 WeakPolarHBondContact OD1-CG 3Å; D67-R69 IonicContact OD1-CZ 2.85Å; D67-R69 PolarHBondContact OD1-N 3.25Å; D67-R69 IonicContact OD1-NE 3.4Å; D67-R69 PolarHBondContact OD1-NE 3.46Å; D67-R69 IonicContact OD1-NH2 3.91Å; D67-R69 IonicContact OD2-CZ 3.88Å; D67-R69 IonicContact OD2-NE 2.69Å; D67-R69 IonicContact OD2-NH2 3.79Å; D67-R69 PolarHBondContact OD2-NH2 3.29Å; D67-H111 PolarHBondContact O-CD2 3.42Å; D67-H111 VanDerWaalsContact O-CD2 3.3Å; D67-H111 PolarHBondContact O-NE2 3.5Å; D67-D146 WeakPolarHBondContact CB-O 3.46Å; D67-D146 PolarHBondContact N-O 3.21Å |
| 68 | R | 98 | Very high | 92.9 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 2% | 0.019 | 36% | 0.359 | C | S | . | . | trans | -95.1 | 14.9 | 176 | -62 | -171.7 | 179.9 | -81.2 | -4.3 | 111.5 | D47 N60 E61 D63 I66 Y82 W107 P109 | D47-R68 IonicContact OD1-CZ 2.87Å; D47-R68 IonicContact OD1-NH1 2.8Å; D47-R68 IonicContact OD1-NH2 3.92Å; D47-R68 PolarHBondContact OD1-NH2 3.39Å; D47-R68 IonicContact OD2-CZ 3.5Å; D47-R68 IonicContact OD2-NH1 3.73Å; D47-R68 PolarHBondContact OD2-NH1 3.33Å; D47-R68 IonicContact OD2-NH2 2.76Å; D47-R68 PolarHBondContact OD2-NH2 3.01Å; N60-R68 PolarHBondContact N-O 3.29Å; E61-R68 WeakPolarHBondContact O-CA 3.46Å; E61-R68 WeakPolarHBondContact O-CB 3.39Å; E61-R68 PolarHBondContact O-N 3.04Å; D63-R68 HydrophobicContact CB-CG 4Å; D63-R68 IonicContact OD2-CZ 2.9Å; D63-R68 IonicContact OD2-NE 3.94Å; D63-R68 PolarHBondContact OD2-NE 2.73Å; D63-R68 IonicContact OD2-NH2 3.02Å; I66-R68 HydrophobicContact CG2-CG 3.95Å; I66-R68 PolarHBondContact O-N 3.3Å; R68-Y82 WeakPolarHBondContact O-CE1 3.48Å; R68-Y82 VanDerWaalsContact O-CZ 3.3Å; R68-Y82 PolarHBondContact O-OH 2.87Å; R68-W107 PolarHBondContact NH1-O 3.15Å; R68-P109 VanDerWaalsContact O-CG 3.26Å; R68-P109 WeakPolarHBondContact O-CG 3.48Å | ||
| 69 | R | 97.7 | Very high | 92.5 | Very high | 69 Ų | 69 | 64 Ų | 64 | 26% | 0.26 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -91.1 | 158.8 | 179.1 | -63.8 | 169.6 | -60.1 | 179.4 | 5.7 | 111.8 | N60 D67 P109 H111 | N60-R69 VanDerWaalsContact C-CG 3.41Å; N60-R69 WeakPolarHBondContact O-CG 3.43Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 WeakPolarHBondContact OD1-CB 3.43Å; D67-R69 WeakPolarHBondContact OD1-CG 3Å; D67-R69 IonicContact OD1-CZ 2.85Å; D67-R69 PolarHBondContact OD1-N 3.25Å; D67-R69 IonicContact OD1-NE 3.4Å; D67-R69 PolarHBondContact OD1-NE 3.46Å; D67-R69 IonicContact OD1-NH2 3.91Å; D67-R69 IonicContact OD2-CZ 3.88Å; D67-R69 IonicContact OD2-NE 2.69Å; D67-R69 IonicContact OD2-NH2 3.79Å; D67-R69 PolarHBondContact OD2-NH2 3.29Å; R69-P109 WeakPolarHBondContact O-CG 3.4Å; R69-H111 PolarHBondContact O-CE1 3.37Å; R69-H111 PolarHBondContact O-NE2 3.15Å |
| 70 | R | 97 | Very high | 92.2 | Very high | 34 Ų | 34 | 67.9 Ų | 67.9 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 153.2 | 166.9 | -55.4 | -172.3 | 57.9 | -159.3 | -4.4 | 110 | Q79 K80 Y82 W203 E205 | R70-Q79 PolarHBondContact O-NE2 3.39Å; R70-Q79 PolarHBondContact O-OE1 2.89Å; R70-K80 WeakPolarHBondContact CB-O 3.48Å; R70-K80 WeakPolarHBondContact CD-O 3.41Å; R70-K80 WeakPolarHBondContact CG-O 3.35Å; R70-Y82 HydrophobicContact CG-CD1 3.6Å; R70-Y82 HydrophobicContact CG-CE1 4.23Å; R70-W203 HydrophobicContact CG-CZ2 4.41Å; R70-E205 IonicContact NE-OE1 2.78Å; R70-E205 PolarHBondContact NE-OE1 3.06Å; R70-E205 IonicContact NH2-OE1 3.64Å |
| 71 | M | 94.6 | Very high | 92.1 | Very high | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.059 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 126.3 | 173.3 | -73.9 | -67.8 | 102 | 0 | 0 | 110.8 | H111 P148 L149 R190 E205 | M71-H111 VanDerWaalsContact CE-CE1 3.49Å; M71-H111 WeakPolarHBondContact CE-CE1 3.5Å; M71-P148 HydrophobicContact CE-CG 3.46Å; M71-P148 VanDerWaalsContact CE-CG 3.46Å; M71-P148 HydrophobicContact SD-CB 4.3Å; M71-P148 HydrophobicContact SD-CG 3.59Å; M71-P148 VanDerWaalsContact SD-CG 3.59Å; M71-L149 HydrophobicContact CE-CD1 4.49Å; M71-L149 HydrophobicContact CE-CG 4.49Å; M71-L149 HydrophobicContact SD-CD2 4.35Å; M71-L149 HydrophobicContact SD-CG 4.38Å; M71-R190 HydrophobicContact CB-CG 3.66Å; M71-R190 HydrophobicContact CG-CG 4.24Å; M71-R190 HydrophobicContact SD-CG 4.42Å; M71-E205 HydrophobicContact CB-CB 4.28Å; M71-E205 HydrophobicContact CG-CB 3.91Å; M71-E205 PolarHBondContact N-OE2 3.45Å |
| 72 | P | 92.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 14% | 0.143 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 156 | 171.6 | 27.9 | -33.2 | 0 | 0 | 0 | 109.7 | G77 R190 | P72-G77 WeakPolarHBondContact CB-O 3.42Å; P72-R190 WeakPolarHBondContact O-CD 3.26Å; P72-R190 WeakPolarHBondContact O-CG 3.45Å |
| 73 | K | 88.1 | Confident | 92.2 | Very high | 138 Ų | 138 | 69.5 Ų | 69.5 | 60% | 0.6 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 154.4 | 171.6 | -66 | -177.5 | 176.3 | -177.7 | 0 | 110.4 | I75 G77 | K73-I75 PolarHBondContact O-N 3.12Å; K73-G77 WeakPolarHBondContact O-CA 3.48Å |
| 74 | I | 85.3 | Confident | 92.1 | Very high | 84 Ų | 84 | 71.5 Ų | 71.5 | 43% | 0.431 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -49.2 | 178 | -57.8 | 174.8 | 0 | 0 | 0 | 111.7 | E187 R190 | I74-E187 HydrophobicContact CD1-CB 4.32Å; I74-E187 HydrophobicContact CD1-CG 3.78Å; I74-E187 WeakPolarHBondContact CD1-O 3.47Å; I74-E187 HydrophobicContact CG1-CG 4.34Å; I74-R190 HydrophobicContact CD1-CB 4.38Å; I74-R190 HydrophobicContact CG1-CB 3.7Å |
| 75 | I | 80.9 | Confident | 92 | Very high | 155 Ų | 155 | 73.3 Ų | 73.3 | 80% | 0.795 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 123.8 | -177.3 | -57.1 | 175.2 | 0 | 0 | 0 | 108.8 | K73 G77 | K73-I75 PolarHBondContact O-N 3.12Å; I75-G77 PolarHBondContact O-N 3.48Å; I75-G77 VanDerWaalsContact O-N 3.07Å |
| 76 | G | 82.2 | Confident | 91.7 | Very high | 81 Ų | 81 | 75.3 Ų | 75.3 | 84% | 0.835 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 25.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E78 | G76-E78 PolarHBondContact O-N 3.41Š|
| 77 | G | 79 | Confident | 91.4 | Very high | 27 Ų | 27 | 78 Ų | 78 | 28% | 0.278 | 42% | 0.419 | S | S | . | . | trans | -82.4 | 106.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P72 K73 I75 | P72-G77 WeakPolarHBondContact CB-O 3.42Å; K73-G77 WeakPolarHBondContact O-CA 3.48Å; I75-G77 PolarHBondContact O-N 3.48Å; I75-G77 VanDerWaalsContact O-N 3.07Å | ||
| 78 | E | 87.9 | Confident | 91.3 | Very high | 161 Ų | 161 | 81.4 Ų | 81.4 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | trans | -72.4 | 150.7 | 164.9 | -65.5 | 176 | 171.2 | 0 | 0 | 110.8 | G76 K80 | G76-E78 PolarHBondContact O-N 3.41Å; E78-K80 PolarHBondContact O-N 3.3Å | ||
| 79 | Q | 89.2 | Confident | 91.3 | Very high | 87 Ų | 87 | 81.1 Ų | 81.1 | 41% | 0.407 | 43% | 0.43 | S | S | . | . | trans | -65.5 | 114.5 | 172.4 | -175.5 | 57.5 | 54.2 | 0 | 0 | 109.1 | R70 | R70-Q79 PolarHBondContact O-NE2 3.39Å; R70-Q79 PolarHBondContact O-OE1 2.89Å | ||
| 80 | K | 91.6 | Very high | 91.3 | Very high | 110 Ų | 110 | 78.8 Ų | 78.8 | 48% | 0.478 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 135.8 | 177.6 | -62.8 | -169.2 | 178.9 | -161 | 0 | 110.3 | R70 E78 | R70-K80 WeakPolarHBondContact CB-O 3.48Å; R70-K80 WeakPolarHBondContact CD-O 3.41Å; R70-K80 WeakPolarHBondContact CG-O 3.35Å; E78-K80 PolarHBondContact O-N 3.3Å |
| 81 | I | 95.8 | Very high | 91.4 | Very high | 136 Ų | 136 | 77.1 Ų | 77.1 | 70% | 0.697 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 147.1 | 170.7 | 61.6 | 175.3 | 0 | 0 | 0 | 110.5 | N60 | N60-I81 HydrophobicContact CB-CG2 4.44Å; N60-I81 WeakPolarHBondContact OD1-CA 3.16Å |
| 82 | Y | 97.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 78.4 Ų | 78.4 | 4% | 0.035 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 154.7 | 163.6 | 53.2 | -95.4 | 0 | 0 | 0 | 109.9 | F59 N60 R68 R70 T84 P89 P109 W203 | F59-Y82 WeakPolarHBondContact CA-OH 3.48Å; F59-Y82 HydrophobicContact CB-CE2 3.83Å; F59-Y82 WeakPolarHBondContact CB-OH 3.45Å; F59-Y82 HydrophobicContact CD1-CE2 4.21Å; F59-Y82 WeakPolarHBondContact CD1-OH 3.38Å; F59-Y82 HydrophobicContact CG-CE2 4.2Å; N60-Y82 PolarHBondContact N-OH 3.41Å; N60-Y82 PolarHBondContact ND2-O 3.34Å; N60-Y82 WeakPolarHBondContact OD1-CD1 3.5Å; N60-Y82 WeakPolarHBondContact OD1-CE1 3.42Å; N60-Y82 PolarHBondContact OD1-N 2.92Å; R68-Y82 WeakPolarHBondContact O-CE1 3.48Å; R68-Y82 VanDerWaalsContact O-CZ 3.3Å; R68-Y82 PolarHBondContact O-OH 2.87Å; R70-Y82 HydrophobicContact CG-CD1 3.6Å; R70-Y82 HydrophobicContact CG-CE1 4.23Å; Y82-T84 HydrophobicContact CE2-CG2 4.4Å; Y82-P89 HydrophobicContact CD2-CB 3.8Å; Y82-P89 HydrophobicContact CE2-CB 3.48Å; Y82-P89 VanDerWaalsContact CE2-CB 3.48Å; Y82-P109 HydrophobicContact CE1-CG 4.16Å; Y82-W203 AromaticContact CD1-CH2 3.6Å; Y82-W203 HydrophobicContact CD1-CH2 3.6Å; Y82-W203 AromaticContact CD1-CZ2 3.47Å; Y82-W203 HydrophobicContact CD1-CZ2 3.47Å; Y82-W203 VanDerWaalsContact CD1-CZ2 3.47Å; Y82-W203 AromaticContact CD2-CH2 3.79Å; Y82-W203 HydrophobicContact CD2-CH2 3.79Å; Y82-W203 HydrophobicContact CD2-CZ2 4.5Å; Y82-W203 HydrophobicContact CE1-CH2 4.02Å; Y82-W203 AromaticContact CE1-CZ2 3.92Å; Y82-W203 HydrophobicContact CE1-CZ2 3.92Å; Y82-W203 HydrophobicContact CE2-CH2 4.19Å; Y82-W203 AromaticContact CG-CH2 3.47Å; Y82-W203 HydrophobicContact CG-CH2 3.47Å; Y82-W203 VanDerWaalsContact CG-CH2 3.47Å; Y82-W203 AromaticContact CG-CZ2 3.8Å; Y82-W203 HydrophobicContact CG-CZ2 3.8Å |
| 83 | M | 97.6 | Very high | 91.7 | Very high | 112 Ų | 112 | 83 Ų | 83 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 154.5 | 176.8 | -63.4 | -179.4 | -63.6 | 0 | 0 | 110.6 | W23 L90 | W23-M83 HydrophobicContact CB-CE 3.64Å; W23-M83 HydrophobicContact CG-CE 4.05Å; M83-L90 HydrophobicContact CB-CB 4.4Å; M83-L90 HydrophobicContact CB-CD1 4.16Å; M83-L90 WeakPolarHBondContact O-CB 3.32Å; M83-L90 PolarHBondContact O-N 2.95Å |
| 84 | T | 96.5 | Very high | 92.1 | Very high | 74 Ų | 74 | 76.5 Ų | 76.5 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.4 | 166.4 | 55.3 | 0 | 0 | 0 | 0 | 109.3 | F59 Y82 R88 | F59-T84 HydrophobicContact CB-CG2 4.1Å; F59-T84 HydrophobicContact CD2-CG2 3.9Å; F59-T84 HydrophobicContact CG-CG2 4.2Å; Y82-T84 HydrophobicContact CE2-CG2 4.4Å; T84-R88 CarbonylContact C-O 3.56Å; T84-R88 WeakPolarHBondContact CA-O 3.48Å |
| 85 | N | 92.8 | Very high | 92.6 | Very high | 92 Ų | 92 | 73.6 Ų | 73.6 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 121.1 | 171.5 | 178.9 | 16.2 | 0 | 0 | 0 | 108.5 | S87 R88 L90 | N85-S87 VanDerWaalsContact C-N 3.29Å; N85-S87 PolarHBondContact O-N 2.99Å; N85-R88 PolarHBondContact N-O 3.23Å; N85-R88 WeakPolarHBondContact O-CB 3.46Å; N85-R88 PolarHBondContact O-N 2.92Å; N85-L90 HydrophobicContact CB-CD1 3.97Å; N85-L90 HydrophobicContact CB-CD2 4.2Å; N85-L90 HydrophobicContact CB-CG 4.19Å |
| 86 | N | 88.2 | Confident | 93.2 | Very high | 142 Ų | 142 | 67.7 Ų | 67.7 | 76% | 0.759 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 52.9 | -175.8 | -61.5 | -23.1 | 0 | 0 | 0 | 112.1 | R88 | N86-R88 PolarHBondContact O-N 3.28Š|
| 87 | S | 89.1 | Confident | 93.8 | Very high | 87 Ų | 87 | 63.8 Ų | 63.8 | 61% | 0.608 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 9.6 | -176.9 | -51.8 | 0 | 0 | 0 | 0 | 115.8 | I50 F59 N85 | I50-S87 WeakPolarHBondContact CD1-O 3.48Å; F59-S87 WeakPolarHBondContact CE2-O 3.43Å; N85-S87 VanDerWaalsContact C-N 3.29Å; N85-S87 PolarHBondContact O-N 2.99Å |
| 88 | R | 96.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 63 Ų | 63 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.3 | 173.3 | -63.7 | 176.4 | -178.6 | -111.2 | -5.1 | 110.4 | I50 T84 N85 N86 | I50-R88 HydrophobicContact CG1-CG 4.13Å; I50-R88 HydrophobicContact CG2-CG 4.12Å; T84-R88 CarbonylContact C-O 3.56Å; T84-R88 WeakPolarHBondContact CA-O 3.48Å; N85-R88 PolarHBondContact N-O 3.23Å; N85-R88 WeakPolarHBondContact O-CB 3.46Å; N85-R88 PolarHBondContact O-N 2.92Å; N86-R88 PolarHBondContact O-N 3.28Å |
| 89 | P | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 146.6 | 172.4 | 29.2 | -33.6 | 0 | 0 | 0 | 109.7 | F59 Y82 W107 G108 N201 W203 | F59-P89 HydrophobicContact CD1-CB 4.22Å; F59-P89 HydrophobicContact CD1-CG 4.24Å; F59-P89 HydrophobicContact CE1-CB 4.22Å; F59-P89 HydrophobicContact CE1-CG 3.74Å; F59-P89 HydrophobicContact CZ-CG 3.98Å; Y82-P89 HydrophobicContact CD2-CB 3.8Å; Y82-P89 HydrophobicContact CE2-CB 3.48Å; Y82-P89 VanDerWaalsContact CE2-CB 3.48Å; P89-W107 HydrophobicContact CG-CB 4.1Å; P89-G108 VanDerWaalsContact CG-N 3.31Å; P89-N201 WeakPolarHBondContact CG-O 3.3Å; P89-N201 VanDerWaalsContact O-CA 3.26Å; P89-N201 WeakPolarHBondContact O-CA 3.35Å; P89-N201 WeakPolarHBondContact O-CB 3.44Å; P89-N201 PolarHBondContact O-ND2 3.34Å; P89-W203 HydrophobicContact CB-CH2 4.24Å; P89-W203 HydrophobicContact CB-CZ3 4.2Å |
| 90 | L | 98.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | trans | -111.3 | 127.4 | 180 | -65.9 | -175.5 | 0 | 0 | 0 | 110.2 | W23 M83 N85 D200 | W23-L90 HydrophobicContact CD2-CB 4.37Å; W23-L90 HydrophobicContact CD2-CD1 4.08Å; W23-L90 HydrophobicContact CD2-CD2 4.42Å; W23-L90 HydrophobicContact CE3-CD1 4.42Å; W23-L90 HydrophobicContact CE3-CD2 4.48Å; W23-L90 HydrophobicContact CG-CB 4.49Å; W23-L90 HydrophobicContact CG-CD1 4.15Å; W23-L90 HydrophobicContact CH2-CD2 4.09Å; W23-L90 HydrophobicContact CZ2-CB 4.28Å; W23-L90 HydrophobicContact CZ2-CD2 4Å; W23-L90 HydrophobicContact CZ3-CD2 4.31Å; M83-L90 HydrophobicContact CB-CB 4.4Å; M83-L90 HydrophobicContact CB-CD1 4.16Å; M83-L90 WeakPolarHBondContact O-CB 3.32Å; M83-L90 PolarHBondContact O-N 2.95Å; N85-L90 HydrophobicContact CB-CD1 3.97Å; N85-L90 HydrophobicContact CB-CD2 4.2Å; N85-L90 HydrophobicContact CB-CG 4.19Å; L90-D200 CarbonylContact C-O 3.45Å; L90-D200 WeakPolarHBondContact CA-O 3.31Å | ||
| 91 | N | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -53.6 | 124.8 | -178.7 | -177.2 | -35.2 | 0 | 0 | 0 | 110.5 | W23 K93 G94 Y192 T199 D200 W203 | W23-N91 PolarHBondContact NE1-O 3.21Å; N91-K93 PolarHBondContact O-N 2.74Å; N91-K93 WeakPolarHBondContact OD1-CB 3.37Å; N91-K93 PolarHBondContact OD1-N 3.3Å; N91-G94 PolarHBondContact O-N 2.88Å; N91-Y192 PolarHBondContact ND2-OH 2.92Å; N91-Y192 VanDerWaalsContact OD1-CE2 3.29Å; N91-Y192 WeakPolarHBondContact OD1-CE2 3.43Å; N91-T199 WeakPolarHBondContact CB-O 3.48Å; N91-T199 PolarHBondContact ND2-O 3.1Å; N91-D200 WeakPolarHBondContact CB-O 3.21Å; N91-D200 PolarHBondContact N-O 3.41Å; N91-W203 HydrophobicContact CB-CE3 4Å | ||
| 92 | P | 97.3 | Very high | 95.3 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.2 | -175 | 28 | -37.3 | 0 | 0 | 0 | 113.6 | Y192 W203 | P92-Y192 HydrophobicContact CG-CD2 3.84Å; P92-Y192 HydrophobicContact CG-CE2 4.17Å; P92-W203 VanDerWaalsContact CD-CD2 3.42Å; P92-W203 HydrophobicContact CG-CD2 4.27Å; P92-W203 HydrophobicContact CG-CZ2 4.12Å |
| 93 | K | 95.2 | Very high | 95.1 | Very high | 119 Ų | 119 | 43.2 Ų | 43.2 | 52% | 0.517 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.2 | 171.8 | -65 | -57.4 | -171.2 | 173.7 | 0 | 113.8 | R21 N91 Y192 | R21-K93 WeakPolarHBondContact CD-O 3.26Å; R21-K93 WeakPolarHBondContact CG-O 3.48Å; N91-K93 PolarHBondContact O-N 2.74Å; N91-K93 WeakPolarHBondContact OD1-CB 3.37Å; N91-K93 PolarHBondContact OD1-N 3.3Å; K93-Y192 HydrophobicContact CB-CE1 4.26Å; K93-Y192 HydrophobicContact CB-CE2 4.14Å; K93-Y192 HydrophobicContact CD-CD1 4.41Å; K93-Y192 HydrophobicContact CG-CD1 3.65Å; K93-Y192 HydrophobicContact CG-CD2 3.82Å; K93-Y192 HydrophobicContact CG-CE1 3.45Å; K93-Y192 VanDerWaalsContact CG-CE1 3.45Å; K93-Y192 HydrophobicContact CG-CE2 3.59Å; K93-Y192 HydrophobicContact CG-CG 3.84Å; K93-Y192 VanDerWaalsContact CG-CZ 3.41Å |
| 94 | G | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | 95.1 | -165.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R21 N91 | R21-G94 CarbonylContact O-C 3.41Å; R21-G94 WeakPolarHBondContact O-CA 3.25Å; N91-G94 PolarHBondContact O-N 2.88Å | ||
| 95 | R | 96.1 | Very high | 95 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 9% | 0.087 | 20% | 0.197 | C | C | . | . | trans | -58.7 | 140.4 | 177.6 | -66.1 | 175.9 | -175.8 | 89.7 | 4.9 | 111.9 | V16 S20 R21 P22 W23 K25 Y30 | V16-R95 HydrophobicContact CG1-CB 3.9Å; V16-R95 HydrophobicContact CG2-CB 4.1Å; S20-R95 PolarHBondContact O-NH1 3.14Å; R21-R95 WeakPolarHBondContact CG-O 3.46Å; R21-R95 PolarHBondContact O-N 2.88Å; P22-R95 PolarHBondContact O-NH1 3.11Å; W23-R95 HydrophobicContact CD2-CG 4.42Å; W23-R95 HydrophobicContact CE3-CG 3.8Å; W23-R95 HydrophobicContact CH2-CB 4.39Å; W23-R95 HydrophobicContact CH2-CG 3.64Å; W23-R95 HydrophobicContact CZ2-CG 4.28Å; W23-R95 HydrophobicContact CZ3-CG 3.38Å; K25-R95 PolarHBondContact O-NH1 2.98Å; K25-R95 PolarHBondContact O-NH2 3Å; Y30-R95 HydrophobicContact CD1-CG 4.01Å; Y30-R95 HydrophobicContact CE1-CB 4.06Å; Y30-R95 HydrophobicContact CE1-CG 3.56Å; Y30-R95 HydrophobicContact CE2-CB 4.16Å; Y30-R95 HydrophobicContact CE2-CG 4.33Å | ||
| 96 | T | 93.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 18% | 0.184 | 18% | 0.177 | C | C | . | . | trans | -121.8 | -6.4 | -175.7 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | R13 I98 T199 D200 | R13-T96 VanDerWaalsContact NH1-CB 3.35Å; R13-T96 PolarHBondContact NH1-O 3.07Å; R13-T96 PolarHBondContact NH1-OG1 3.5Å; T96-I98 PolarHBondContact OG1-O 2.78Å; T96-T199 VanDerWaalsContact CG2-O 3.3Å; T96-T199 WeakPolarHBondContact CG2-O 3.25Å; T96-T199 VanDerWaalsContact OG1-CA 3.28Å; T96-T199 WeakPolarHBondContact OG1-CA 3.45Å; T96-D200 WeakPolarHBondContact CA-OD1 3.17Å; T96-D200 WeakPolarHBondContact CB-OD1 3.31Å; T96-D200 PolarHBondContact N-OD1 3.3Å; T96-D200 PolarHBondContact OG1-N 2.87Å; T96-D200 VanDerWaalsContact OG1-N 3.07Å; T96-D200 PolarHBondContact OG1-OD1 2.87Å | ||
| 97 | G | 94.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 90.3 | -0.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R13 V14 Y30 P32 | R13-G97 CarbonylContact C-O 3.54Å; R13-G97 WeakPolarHBondContact CA-O 3.26Å; V14-G97 PolarHBondContact N-O 3.08Å; V14-G97 WeakPolarHBondContact O-CA 3.33Å; Y30-G97 WeakPolarHBondContact OH-CA 3.21Å; Y30-G97 PolarHBondContact OH-N 2.93Å; P32-G97 VanDerWaalsContact CB-O 3.3Å; P32-G97 WeakPolarHBondContact CB-O 3.48Å |
| 98 | I | 94.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 5% | 0.051 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 134.1 | 178.8 | -168 | -179 | 0 | 0 | 0 | 109.8 | I11 R13 L33 Y35 T96 T199 D200 | I11-I98 HydrophobicContact CG2-CD1 3.43Å; I11-I98 VanDerWaalsContact CG2-CD1 3.43Å; I11-I98 HydrophobicContact CG2-CG1 4.27Å; R13-I98 HydrophobicContact CG-CB 4.25Å; R13-I98 HydrophobicContact CG-CG2 4.34Å; R13-I98 VanDerWaalsContact NH1-CG2 3.28Å; L33-I98 WeakPolarHBondContact O-CG1 3.32Å; Y35-I98 HydrophobicContact CD1-CD1 4.45Å; T96-I98 PolarHBondContact OG1-O 2.78Å; I98-T199 HydrophobicContact CG2-CG2 3.81Å; I98-D200 WeakPolarHBondContact O-CB 3.48Å; I98-D200 PolarHBondContact O-N 2.85Å |
| 99 | A | 95.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 19.3 Ų | 19.3 | 11% | 0.107 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 170.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P32 L33 T34 Y35 | P32-A99 HydrophobicContact CG-CB 3.82Å; L33-A99 PolarHBondContact O-N 3.49Å; T34-A99 WeakPolarHBondContact CA-O 3.48Å; Y35-A99 PolarHBondContact N-O 3.45Å |
| 100 | G | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y35 G102 T199 N201 | Y35-G100 CarbonylContact O-C 3.36Å; Y35-G100 WeakPolarHBondContact O-CA 3.28Å; G100-G102 VanDerWaalsContact C-N 3.29Å; G100-T199 VanDerWaalsContact O-CB 3.31Å; G100-T199 WeakPolarHBondContact O-CB 3.47Å; G100-T199 PolarHBondContact O-OG1 3.11Å; G100-N201 PolarHBondContact N-OD1 2.94Å |
| 101 | R | 95.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -25.3 | -179.6 | -172.3 | 179 | 64.1 | -132.6 | 13.5 | 112.8 | Y35 T36 R37 D47 P48 L104 W107 A202 | Y35-R101 PolarHBondContact O-N 2.79Å; T36-R101 HydrophobicContact CG2-CB 4.06Å; T36-R101 PolarHBondContact OG1-N 2.92Å; R37-R101 PolarHBondContact O-NH2 3.41Å; D47-R101 VanDerWaalsContact C-NH1 3.33Å; D47-R101 PolarHBondContact O-NH1 2.8Å; D47-R101 PolarHBondContact O-NH2 3.38Å; D47-R101 VanDerWaalsContact O-NH2 3.13Å; P48-R101 PolarHBondContact O-NH1 2.97Å; R101-L104 WeakPolarHBondContact CD-O 3.01Å; R101-L104 VanDerWaalsContact CG-O 3.31Å; R101-L104 WeakPolarHBondContact CG-O 3.41Å; R101-L104 PolarHBondContact NE-O 3.34Å; R101-W107 HydrophobicContact CB-CD2 4.07Å; R101-W107 HydrophobicContact CB-CE3 4.33Å; R101-W107 HydrophobicContact CB-CH2 4.34Å; R101-W107 HydrophobicContact CB-CZ2 4.06Å; R101-W107 HydrophobicContact CB-CZ3 4.47Å; R101-A202 HydrophobicContact CG-CB 4.17Å; R101-A202 WeakPolarHBondContact O-CB 3.27Å |
| 102 | G | 94.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.5 | -137.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y35 R37 G100 L104 | Y35-G102 WeakPolarHBondContact O-CA 3.02Å; Y35-G102 PolarHBondContact O-N 2.97Å; R37-G102 PolarHBondContact N-O 3.2Å; G100-G102 VanDerWaalsContact C-N 3.29Å; G102-L104 VanDerWaalsContact C-N 3.35Å |
| 103 | D | 92.9 | Very high | 96.2 | Very high | 70 Ų | 70 | 17.1 Ų | 17.1 | 37% | 0.374 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -3.7 | -180 | -80 | -48.4 | 0 | 0 | 0 | 114.8 | R37 | R37-D103 IonicContact CZ-OD1 3.69Å; R37-D103 PolarHBondContact NH1-O 3.46Å; R37-D103 IonicContact NH1-OD1 3.34Å; R37-D103 PolarHBondContact NH1-OD1 2.86Å; R37-D103 PolarHBondContact NH2-O 3.12Å |
| 104 | L | 96.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -78.1 | 161.6 | 179.4 | -68.2 | 176.9 | 0 | 0 | 0 | 110.9 | R101 G102 N110 F144 R197 A202 I204 | R101-L104 WeakPolarHBondContact CD-O 3.01Å; R101-L104 VanDerWaalsContact CG-O 3.31Å; R101-L104 WeakPolarHBondContact CG-O 3.41Å; R101-L104 PolarHBondContact NE-O 3.34Å; G102-L104 VanDerWaalsContact C-N 3.35Å; L104-N110 HydrophobicContact CD1-CB 4.43Å; L104-N110 HydrophobicContact CD2-CB 4.28Å; L104-F144 HydrophobicContact CD2-CE1 4.3Å; L104-F144 HydrophobicContact CD2-CZ 4.06Å; L104-R197 HydrophobicContact CD2-CB 4.07Å; L104-R197 HydrophobicContact CG-CB 4.18Å; L104-A202 HydrophobicContact CB-CB 4.13Å; L104-A202 HydrophobicContact CD1-CB 3.79Å; L104-I204 HydrophobicContact CD1-CG1 4.27Å; L104-I204 HydrophobicContact CD2-CD1 4.18Å; L104-I204 HydrophobicContact CD2-CG1 3.99Å |
| 105 | N | 96 | Very high | 96.4 | Very high | 50 Ų | 50 | 11.9 Ų | 11.9 | 27% | 0.267 | 6% | 0.063 | S | C | . | . | S | Bend | trans | -89.7 | -23.3 | -174.6 | -73.1 | -8.6 | 0 | 0 | 0 | 112.8 | R37 C46 D47 N110 | R37-N105 PolarHBondContact NH2-OD1 3.17Å; C46-N105 CarbonylContact C-O 3.5Å; C46-N105 VanDerWaalsContact CA-O 3.27Å; C46-N105 WeakPolarHBondContact CA-O 3.47Å; C46-N105 HydrophobicContact CB-CB 4.18Å; C46-N105 WeakPolarHBondContact CB-O 3.32Å; D47-N105 PolarHBondContact N-O 2.85Å; N105-N110 PolarHBondContact N-OD1 3.33Å |
| 106 | R | 97.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 10.8 Ų | 10.8 | 8% | 0.083 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -120.3 | 143.7 | -177.1 | -50.6 | -66.6 | 172.6 | -109.2 | 1.2 | 111.5 | S45 D47 I66 N110 D146 A202 | S45-R106 PolarHBondContact O-NH1 2.89Å; S45-R106 PolarHBondContact O-NH2 2.89Å; D47-R106 VanDerWaalsContact OD2-CA 3.27Å; D47-R106 WeakPolarHBondContact OD2-CA 3.38Å; I66-R106 HydrophobicContact CG2-CG 4.46Å; R106-N110 PolarHBondContact N-OD1 3.21Å; R106-N110 PolarHBondContact O-ND2 3.03Å; R106-D146 IonicContact CZ-OD1 2.8Å; R106-D146 IonicContact NE-OD1 3.39Å; R106-D146 PolarHBondContact NE-OD1 3.22Å; R106-D146 VanDerWaalsContact NH2-CG 3.3Å; R106-D146 IonicContact NH2-OD1 3.73Å; R106-D146 PolarHBondContact NH2-OD1 3.02Å; R106-D146 IonicContact NH2-OD2 3.77Å; R106-D146 PolarHBondContact NH2-OD2 2.85Å; R106-A202 WeakPolarHBondContact O-CB 3.3Å |
| 107 | W | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -69.5 | 129.5 | 159.2 | -68 | 95 | 0 | 0 | 0 | 109 | T36 D47 P48 I50 F55 F59 R68 P89 R101 N201 | T36-W107 HydrophobicContact CG2-CZ2 4.23Å; D47-W107 PolarHBondContact OD2-N 3.44Å; P48-W107 PolarHBondContact O-NE1 3.44Å; I50-W107 HydrophobicContact CB-CD2 4.17Å; I50-W107 HydrophobicContact CB-CE3 4.45Å; I50-W107 HydrophobicContact CB-CH2 3.95Å; I50-W107 HydrophobicContact CB-CZ2 3.64Å; I50-W107 HydrophobicContact CB-CZ3 4.35Å; I50-W107 HydrophobicContact CD1-CD2 4.27Å; I50-W107 HydrophobicContact CD1-CG 4.24Å; I50-W107 HydrophobicContact CG2-CH2 3.89Å; I50-W107 HydrophobicContact CG2-CZ2 3.97Å; I50-W107 HydrophobicContact CG2-CZ3 4.42Å; F55-W107 AromaticContact CE1-CD1 3.46Å; F55-W107 VanDerWaalsContact CE1-CD1 3.46Å; F55-W107 HydrophobicContact CE1-CG 4.28Å; F55-W107 AromaticContact CE1-NE1 3.97Å; F55-W107 AromaticContact CZ-CD1 3.82Å; F59-W107 HydrophobicContact CE1-CB 3.97Å; F59-W107 HydrophobicContact CZ-CB 4.13Å; R68-W107 PolarHBondContact NH1-O 3.15Å; P89-W107 HydrophobicContact CG-CB 4.1Å; R101-W107 HydrophobicContact CB-CD2 4.07Å; R101-W107 HydrophobicContact CB-CE3 4.33Å; R101-W107 HydrophobicContact CB-CH2 4.34Å; R101-W107 HydrophobicContact CB-CZ2 4.06Å; R101-W107 HydrophobicContact CB-CZ3 4.47Å; W107-N201 HydrophobicContact CE3-CB 3.72Å; W107-N201 HydrophobicContact CZ3-CB 3.64Å |
| 108 | G | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87 | -140 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | P89 N110 N201 A202 W203 | P89-G108 VanDerWaalsContact CG-N 3.31Å; G108-N110 PolarHBondContact O-ND2 3.47Å; G108-N201 PolarHBondContact N-O 2.88Å; G108-A202 CarbonylContact O-C 3.57Å; G108-A202 VanDerWaalsContact O-CA 3.28Å; G108-A202 WeakPolarHBondContact O-CA 3.38Å; G108-W203 PolarHBondContact O-N 3.41Å |
| 109 | P | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.013 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 137.5 | -177.4 | 29.4 | -32.9 | 0 | 0 | 0 | 111.8 | R68 R69 Y82 W203 E205 | R68-P109 VanDerWaalsContact O-CG 3.26Å; R68-P109 WeakPolarHBondContact O-CG 3.48Å; R69-P109 WeakPolarHBondContact O-CG 3.4Å; Y82-P109 HydrophobicContact CE1-CG 4.16Å; P109-W203 CarbonylContact C-O 3.54Å; P109-W203 WeakPolarHBondContact CA-O 3.43Å; P109-W203 HydrophobicContact CB-CZ2 4.26Å; P109-W203 HydrophobicContact CG-CZ2 4.45Å; P109-E205 HydrophobicContact CB-CG 3.73Å |
| 110 | N | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 3% | 0.027 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.3 | 170.3 | -73.5 | -109.2 | 0 | 0 | 0 | 107.2 | L104 N105 R106 G108 F144 W203 I204 E205 | L104-N110 HydrophobicContact CD1-CB 4.43Å; L104-N110 HydrophobicContact CD2-CB 4.28Å; N105-N110 PolarHBondContact N-OD1 3.33Å; R106-N110 PolarHBondContact N-OD1 3.21Å; R106-N110 PolarHBondContact O-ND2 3.03Å; G108-N110 PolarHBondContact O-ND2 3.47Å; N110-F144 HydrophobicContact CB-CD1 4.25Å; N110-F144 HydrophobicContact CB-CE1 3.94Å; N110-W203 PolarHBondContact N-O 3.17Å; N110-I204 VanDerWaalsContact O-CA 3.31Å; N110-I204 WeakPolarHBondContact O-CA 3.29Å; N110-E205 PolarHBondContact O-N 3.04Å |
| 111 | H | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.5 | -171 | -63.9 | -65.3 | 0 | 0 | 0 | 112.1 | D67 R69 M71 F144 V145 P148 E205 | D67-H111 PolarHBondContact O-CD2 3.42Å; D67-H111 VanDerWaalsContact O-CD2 3.3Å; D67-H111 PolarHBondContact O-NE2 3.5Å; R69-H111 PolarHBondContact O-CE1 3.37Å; R69-H111 PolarHBondContact O-NE2 3.15Å; M71-H111 VanDerWaalsContact CE-CE1 3.49Å; M71-H111 WeakPolarHBondContact CE-CE1 3.5Å; H111-F144 CarbonylContact O-C 3.48Å; H111-F144 VanDerWaalsContact O-CA 3.28Å; H111-F144 WeakPolarHBondContact O-CA 3.37Å; H111-F144 WeakPolarHBondContact O-CD1 3.48Å; H111-V145 HydrophobicContact CB-CG2 4.05Å; H111-V145 WeakPolarHBondContact CB-O 3.35Å; H111-V145 PolarHBondContact O-N 3.01Å; H111-P148 HydrophobicContact CB-CB 3.82Å; H111-P148 HydrophobicContact CB-CG 3.78Å; H111-P148 VanDerWaalsContact CG-CG 3.46Å; H111-E205 WeakPolarHBondContact CA-O 3.44Å; H111-E205 WeakPolarHBondContact ND1-CB 3.08Å |
| 112 | L | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.3 | -178.9 | -175.7 | 62.1 | 0 | 0 | 0 | 110.1 | Y114 H142 F144 I204 E205 M206 R207 | L112-Y114 HydrophobicContact CD2-CD2 4.17Å; L112-Y114 HydrophobicContact CD2-CE2 3.51Å; L112-Y114 HydrophobicContact CG-CD2 4.16Å; L112-Y114 HydrophobicContact CG-CE2 4Å; L112-H142 HydrophobicContact CD1-CB 4.07Å; L112-F144 HydrophobicContact CB-CD1 4.16Å; L112-F144 HydrophobicContact CB-CE1 3.97Å; L112-F144 HydrophobicContact CD1-CD1 4.12Å; L112-F144 HydrophobicContact CD1-CD2 3.96Å; L112-F144 HydrophobicContact CD1-CE1 4.16Å; L112-F144 HydrophobicContact CD1-CE2 4Å; L112-F144 HydrophobicContact CD1-CG 4.02Å; L112-F144 HydrophobicContact CD1-CZ 4.11Å; L112-F144 HydrophobicContact CD2-CZ 4.38Å; L112-F144 HydrophobicContact CG-CE1 4.49Å; L112-I204 HydrophobicContact CB-CG2 3.55Å; L112-I204 HydrophobicContact CD2-CD1 4.43Å; L112-I204 HydrophobicContact CD2-CG2 4.06Å; L112-I204 HydrophobicContact CG-CG2 4.47Å; L112-E205 PolarHBondContact N-O 3.35Å; L112-M206 CarbonylContact O-C 3.53Å; L112-M206 WeakPolarHBondContact O-CA 3.22Å; L112-R207 PolarHBondContact O-N 3.32Å |
| 113 | V | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 113.1 | -180 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | V115 H142 V143 V145 P148 P154 R207 L209 | V113-V115 HydrophobicContact CG1-CG2 4.36Å; V113-H142 WeakPolarHBondContact O-CA 3.46Å; V113-V143 PolarHBondContact N-O 3.46Å; V113-V143 PolarHBondContact O-N 2.98Å; V113-V145 HydrophobicContact CG2-CG2 3.71Å; V113-P148 HydrophobicContact CG2-CB 4.41Å; V113-P154 HydrophobicContact CB-CG 3.59Å; V113-P154 HydrophobicContact CG1-CG 3.62Å; V113-P154 HydrophobicContact CG2-CG 4.32Å; V113-R207 WeakPolarHBondContact CA-O 3.42Å; V113-R207 HydrophobicContact CG1-CB 4.22Å; V113-R207 HydrophobicContact CG2-CB 4.21Å; V113-L209 HydrophobicContact CG1-CD1 3.57Å; V113-L209 HydrophobicContact CG1-CG 4.08Å |
| 114 | Y | 97.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.4 | 171 | -86.7 | -85.7 | 0 | 0 | 0 | 110.4 | L112 D139 H142 F193 M206 R207 L209 M283 | L112-Y114 HydrophobicContact CD2-CD2 4.17Å; L112-Y114 HydrophobicContact CD2-CE2 3.51Å; L112-Y114 HydrophobicContact CG-CD2 4.16Å; L112-Y114 HydrophobicContact CG-CE2 4Å; Y114-D139 VanDerWaalsContact CE1-OD1 3.27Å; Y114-D139 WeakPolarHBondContact CE1-OD1 3.32Å; Y114-D139 PolarHBondContact OH-OD2 2.94Å; Y114-D139 VanDerWaalsContact OH-OD2 3.12Å; Y114-H142 HydrophobicContact CD1-CB 3.59Å; Y114-H142 AromaticContact CD1-ND1 3.94Å; Y114-H142 HydrophobicContact CD2-CB 4.09Å; Y114-H142 HydrophobicContact CE1-CB 3.69Å; Y114-H142 AromaticContact CE1-CG 3.65Å; Y114-H142 AromaticContact CE1-ND1 3.21Å; Y114-H142 WeakPolarHBondContact CE1-ND1 3.39Å; Y114-H142 HydrophobicContact CE2-CB 4.18Å; Y114-H142 HydrophobicContact CG-CB 3.82Å; Y114-H142 AromaticContact CZ-CG 3.8Å; Y114-H142 AromaticContact CZ-ND1 3.58Å; Y114-F193 HydrophobicContact CE2-CZ 4.35Å; Y114-M206 HydrophobicContact CD2-CG 3.9Å; Y114-M206 HydrophobicContact CD2-SD 3.49Å; Y114-M206 WeakPolarHBondContact CD2-SD 3.16Å; Y114-M206 HydrophobicContact CE2-SD 3.95Å; Y114-M206 HydrophobicContact CG-SD 4.37Å; Y114-R207 PolarHBondContact N-O 3.31Å; Y114-L209 PolarHBondContact O-N 3.35Å; Y114-M283 HydrophobicContact CD1-CE 4.32Å; Y114-M283 HydrophobicContact CD2-CE 3.95Å; Y114-M283 HydrophobicContact CE1-CE 4.26Å; Y114-M283 HydrophobicContact CE2-CE 3.86Å; Y114-M283 HydrophobicContact CG-CE 4.16Å |
| 115 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 108.2 | 176 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | V113 L117 P141 I153 P154 I157 L209 I211 | V113-V115 HydrophobicContact CG1-CG2 4.36Å; V115-L117 HydrophobicContact CG1-CD2 3.82Å; V115-L117 HydrophobicContact CG1-CG 4.45Å; V115-L117 PolarHBondContact O-N 3.42Å; V115-P141 PolarHBondContact N-O 3.25Å; V115-P141 WeakPolarHBondContact O-CD 3.44Å; V115-P141 VanDerWaalsContact O-CG 3.23Å; V115-P141 WeakPolarHBondContact O-CG 3.41Å; V115-I153 HydrophobicContact CG2-CG2 4.37Å; V115-P154 HydrophobicContact CG2-CG 4.5Å; V115-I157 HydrophobicContact CB-CD1 3.84Å; V115-I157 HydrophobicContact CG1-CG2 4.5Å; V115-I157 HydrophobicContact CG2-CD1 3.45Å; V115-I157 VanDerWaalsContact CG2-CD1 3.45Å; V115-L209 HydrophobicContact CG2-CB 4.45Å; V115-L209 HydrophobicContact CG2-CD1 4.25Å; V115-I211 HydrophobicContact CG1-CD1 3.85Å; V115-I211 HydrophobicContact CG1-CG1 4.08Å |
| 116 | M | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 110.1 | 170 | -61.5 | -174.8 | -58.4 | 0 | 0 | 108.9 | Y126 Y140 F188 L208 L209 E210 I211 | M116-Y126 HydrophobicContact CB-CD1 4.49Å; M116-Y140 HydrophobicContact CG-CD1 4.07Å; M116-Y140 HydrophobicContact CG-CD2 3.83Å; M116-Y140 HydrophobicContact CG-CE1 4.1Å; M116-Y140 HydrophobicContact CG-CE2 3.85Å; M116-Y140 HydrophobicContact CG-CG 3.93Å; M116-Y140 HydrophobicContact SD-CD2 4.38Å; M116-Y140 HydrophobicContact SD-CE2 3.87Å; M116-F188 HydrophobicContact CE-CD2 4.08Å; M116-F188 HydrophobicContact CE-CE2 4.44Å; M116-F188 HydrophobicContact CE-CG 4.45Å; M116-L208 HydrophobicContact CE-CD1 4.28Å; M116-L208 HydrophobicContact CE-CD2 4.32Å; M116-L208 HydrophobicContact CE-CG 4.19Å; M116-L208 HydrophobicContact CG-CD1 3.97Å; M116-L208 HydrophobicContact SD-CD1 4.12Å; M116-L209 WeakPolarHBondContact CB-O 3.19Å; M116-L209 PolarHBondContact N-O 3.19Å; M116-E210 HydrophobicContact CB-CB 4.28Å; M116-E210 HydrophobicContact CB-CG 4.04Å; M116-E210 HydrophobicContact CE-CB 3.88Å; M116-E210 HydrophobicContact CE-CG 4.14Å; M116-E210 CarbonylContact O-C 3.58Å; M116-E210 VanDerWaalsContact O-CA 3.26Å; M116-E210 WeakPolarHBondContact O-CA 3.33Å; M116-I211 PolarHBondContact O-N 3.01Å |
| 117 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.8 | 169.9 | -55.9 | 175.7 | 0 | 0 | 0 | 107.7 | V115 Y126 A127 P141 M160 L161 I211 I219 F224 L233 W235 | V115-L117 HydrophobicContact CG1-CD2 3.82Å; V115-L117 HydrophobicContact CG1-CG 4.45Å; V115-L117 PolarHBondContact O-N 3.42Å; L117-Y126 CarbonylContact O-C 3.57Å; L117-Y126 VanDerWaalsContact O-CA 3.28Å; L117-Y126 WeakPolarHBondContact O-CA 3.2Å; L117-A127 HydrophobicContact CB-CB 3.86Å; L117-A127 HydrophobicContact CD1-CB 4.16Å; L117-A127 PolarHBondContact O-N 3.02Å; L117-P141 HydrophobicContact CD1-CG 4.49Å; L117-M160 HydrophobicContact CD1-CE 4.09Å; L117-L161 HydrophobicContact CD1-CD2 3.99Å; L117-L161 HydrophobicContact CD2-CD1 4.28Å; L117-I211 HydrophobicContact CD2-CB 4Å; L117-I211 HydrophobicContact CD2-CD1 3.89Å; L117-I211 HydrophobicContact CD2-CG1 4.34Å; L117-I219 HydrophobicContact CB-CD1 4.07Å; L117-I219 HydrophobicContact CD2-CD1 4.06Å; L117-F224 HydrophobicContact CD1-CE2 4.08Å; L117-F224 HydrophobicContact CD1-CZ 3.97Å; L117-L233 HydrophobicContact CD1-CD1 4.1Å; L117-W235 HydrophobicContact CB-CH2 4.27Å |
| 118 | S | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 147.6 | -179.2 | 75 | 0 | 0 | 0 | 0 | 112.5 | R124 E125 I211 N212 D213 | S118-R124 PolarHBondContact OG-NE 3.01Å; S118-R124 PolarHBondContact OG-NH2 3.11Å; S118-E125 WeakPolarHBondContact CA-O 3.36Å; S118-E125 WeakPolarHBondContact CB-O 3.48Å; S118-I211 PolarHBondContact N-O 3.45Å; S118-N212 PolarHBondContact OG-OD1 2.76Å; S118-N212 VanDerWaalsContact OG-OD1 3.11Å; S118-D213 PolarHBondContact O-N 3.47Å |
| 119 | R | 96.7 | Very high | 96.3 | Very high | 41 Ų | 41 | 28.9 Ų | 28.9 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.5 | 175.9 | 69.3 | -175.3 | -171.1 | 176.3 | -2.8 | 111.7 | E125 D213 Y216 G220 I222 W235 | R119-E125 HydrophobicContact CG-CB 3.94Å; R119-E125 IonicContact CZ-OE2 3.62Å; R119-E125 VanDerWaalsContact CZ-OE2 3.24Å; R119-E125 PolarHBondContact N-O 2.94Å; R119-E125 IonicContact NE-OE1 3.88Å; R119-E125 IonicContact NE-OE2 2.98Å; R119-E125 PolarHBondContact NE-OE2 3.44Å; R119-E125 IonicContact NH2-OE2 2.84Å; R119-E125 PolarHBondContact NH2-OE2 3.5Å; R119-E125 PolarHBondContact O-N 3.15Å; R119-D213 VanDerWaalsContact CA-O 3.27Å; R119-D213 WeakPolarHBondContact CA-O 3.45Å; R119-D213 WeakPolarHBondContact CB-O 3.46Å; R119-Y216 HydrophobicContact CB-CD1 4.17Å; R119-Y216 HydrophobicContact CB-CE1 4.01Å; R119-Y216 HydrophobicContact CG-CD1 4.02Å; R119-Y216 HydrophobicContact CG-CE1 3.5Å; R119-Y216 VanDerWaalsContact CG-CE1 3.5Å; R119-G220 PolarHBondContact NH1-O 3.01Å; R119-I222 PolarHBondContact NH1-O 2.99Å; R119-W235 HydrophobicContact CB-CH2 4.17Å; R119-W235 HydrophobicContact CB-CZ3 4.21Å; R119-W235 HydrophobicContact CG-CD2 4.24Å; R119-W235 HydrophobicContact CG-CE3 3.85Å; R119-W235 HydrophobicContact CG-CH2 3.96Å; R119-W235 HydrophobicContact CG-CZ2 4.33Å; R119-W235 HydrophobicContact CG-CZ3 3.7Å; R119-W235 VanDerWaalsContact NE-CD2 3.34Å; R119-W235 VanDerWaalsContact NH1-NE1 3.2Å; R119-W235 VanDerWaalsContact NH2-CG 3.27Å |
| 120 | G | 95.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | trans | 69.7 | 171.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D213 Y216 | G120-D213 PolarHBondContact N-O 3.14Å; G120-Y216 WeakPolarHBondContact CA-OH 3.33Å | ||
| 121 | K | 91.8 | Very high | 95.4 | Very high | 154 Ų | 154 | 33 Ų | 33 | 67% | 0.67 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -118.7 | -43.5 | -180 | -64.7 | -175.7 | -177.8 | -179.6 | 0 | 112.5 | P123 P214 | K121-P123 CarbonylContact C-O 3.57Å; K121-P123 PolarHBondContact N-O 3.11Å; K121-P214 HydrophobicContact CD-CB 4.36Å; K121-P214 HydrophobicContact CG-CB 3.8Å |
| 122 | K | 90.2 | Very high | 94.6 | Very high | 206 Ų | 206 | 40.1 Ų | 40.1 | 90% | 0.896 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -151.6 | 96.6 | -178.3 | -65.4 | -175.7 | -176.9 | 178.2 | 0 | 109.7 | ||
| 123 | P | 90.4 | Very high | 93.8 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | S | Bend | cis | -68.6 | 160.8 | -3 | 29.6 | -33.9 | 0 | 0 | 0 | 112.4 | K121 I237 | K121-P123 CarbonylContact C-O 3.57Å; K121-P123 PolarHBondContact N-O 3.11Å; P123-I237 HydrophobicContact CB-CD1 4.32Å; P123-I237 HydrophobicContact CB-CG1 4.23Å; P123-I237 HydrophobicContact CB-CG2 3.72Å; P123-I237 HydrophobicContact CG-CD1 4.03Å; P123-I237 HydrophobicContact CG-CG1 4.29Å |
| 124 | R | 93.6 | Very high | 92.9 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | trans | -102.9 | 129.4 | 167.1 | -172.1 | 165.6 | -177.2 | -179.8 | -4.2 | 108.3 | S118 Y126 E210 N212 F238 T277 | S118-R124 PolarHBondContact OG-NE 3.01Å; S118-R124 PolarHBondContact OG-NH2 3.11Å; R124-Y126 HydrophobicContact CB-CE2 4.49Å; R124-Y126 WeakPolarHBondContact CD-OH 3.37Å; R124-Y126 HydrophobicContact CG-CE2 3.9Å; R124-Y126 PolarHBondContact NE-OH 3.33Å; R124-E210 IonicContact CZ-OE1 3.91Å; R124-E210 IonicContact NH2-OE1 3.35Å; R124-E210 PolarHBondContact NH2-OE1 3.01Å; R124-E210 IonicContact NH2-OE2 2.94Å; R124-E210 PolarHBondContact NH2-OE2 2.55Å; R124-N212 VanDerWaalsContact NH2-CG 3.34Å; R124-N212 PolarHBondContact NH2-OD1 3.29Å; R124-F238 PolarHBondContact O-N 3.33Å; R124-T277 VanDerWaalsContact NH1-CG2 3.3Å | ||
| 125 | E | 96.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 56 Ų | 56 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 149.5 | -179.3 | -66.6 | 164.2 | -115.8 | 0 | 0 | 110.1 | S118 R119 Y216 W235 T236 I237 | S118-E125 WeakPolarHBondContact CA-O 3.36Å; S118-E125 WeakPolarHBondContact CB-O 3.48Å; R119-E125 HydrophobicContact CG-CB 3.94Å; R119-E125 IonicContact CZ-OE2 3.62Å; R119-E125 VanDerWaalsContact CZ-OE2 3.24Å; R119-E125 PolarHBondContact N-O 2.94Å; R119-E125 IonicContact NE-OE1 3.88Å; R119-E125 IonicContact NE-OE2 2.98Å; R119-E125 PolarHBondContact NE-OE2 3.44Å; R119-E125 IonicContact NH2-OE2 2.84Å; R119-E125 PolarHBondContact NH2-OE2 3.5Å; R119-E125 PolarHBondContact O-N 3.15Å; E125-Y216 PolarHBondContact OE1-OH 2.76Å; E125-W235 HydrophobicContact CB-CE3 4.04Å; E125-W235 WeakPolarHBondContact OE2-CB 3.49Å; E125-T236 CarbonylContact C-O 3.51Å; E125-T236 VanDerWaalsContact CA-O 3.29Å; E125-T236 WeakPolarHBondContact CA-O 3.46Å; E125-I237 HydrophobicContact CG-CG1 3.74Å |
| 126 | Y | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.9 | 172.7 | -63.9 | -98 | 0 | 0 | 0 | 109.8 | M116 L117 R124 V128 Y140 T236 F238 T277 P278 G279 | M116-Y126 HydrophobicContact CB-CD1 4.49Å; L117-Y126 CarbonylContact O-C 3.57Å; L117-Y126 VanDerWaalsContact O-CA 3.28Å; L117-Y126 WeakPolarHBondContact O-CA 3.2Å; R124-Y126 HydrophobicContact CB-CE2 4.49Å; R124-Y126 WeakPolarHBondContact CD-OH 3.37Å; R124-Y126 HydrophobicContact CG-CE2 3.9Å; R124-Y126 PolarHBondContact NE-OH 3.33Å; Y126-V128 PolarHBondContact O-N 3.5Å; Y126-Y140 HydrophobicContact CD1-CE1 4.18Å; Y126-Y140 HydrophobicContact CG-CE1 4.35Å; Y126-T236 PolarHBondContact N-O 3.39Å; Y126-T236 PolarHBondContact O-N 2.89Å; Y126-F238 HydrophobicContact CD2-CB 3.7Å; Y126-F238 AromaticContact CD2-CD1 3.77Å; Y126-F238 HydrophobicContact CD2-CD1 3.77Å; Y126-F238 AromaticContact CD2-CD2 3.64Å; Y126-F238 HydrophobicContact CD2-CD2 3.64Å; Y126-F238 HydrophobicContact CD2-CE1 4.31Å; Y126-F238 HydrophobicContact CD2-CE2 4.21Å; Y126-F238 AromaticContact CD2-CG 3.4Å; Y126-F238 HydrophobicContact CD2-CG 3.4Å; Y126-F238 VanDerWaalsContact CD2-CG 3.4Å; Y126-F238 HydrophobicContact CE2-CB 3.83Å; Y126-F238 AromaticContact CE2-CD2 4Å; Y126-F238 HydrophobicContact CE2-CD2 4Å; Y126-F238 AromaticContact CE2-CG 3.93Å; Y126-F238 HydrophobicContact CE2-CG 3.93Å; Y126-F238 HydrophobicContact CG-CD1 4.35Å; Y126-F238 HydrophobicContact CG-CD2 4.25Å; Y126-F238 HydrophobicContact CG-CE1 4.46Å; Y126-F238 HydrophobicContact CG-CE2 4.37Å; Y126-F238 HydrophobicContact CG-CG 4.25Å; Y126-F238 HydrophobicContact CG-CZ 4.47Å; Y126-T277 WeakPolarHBondContact OH-CB 3.26Å; Y126-T277 PolarHBondContact OH-OG1 2.68Å; Y126-P278 HydrophobicContact CE2-CB 4.1Å; Y126-P278 WeakPolarHBondContact OH-CD 3.31Å; Y126-G279 PolarHBondContact OH-N 3.07Å |
| 127 | A | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | L117 F224 L233 T234 W235 | L117-A127 HydrophobicContact CB-CB 3.86Å; L117-A127 HydrophobicContact CD1-CB 4.16Å; L117-A127 PolarHBondContact O-N 3.02Å; A127-F224 HydrophobicContact CB-CD2 3.8Å; A127-F224 HydrophobicContact CB-CE2 3.77Å; A127-L233 HydrophobicContact CB-CB 4.36Å; A127-L233 HydrophobicContact CB-CD1 4.21Å; A127-L233 HydrophobicContact CB-CD2 4.42Å; A127-T234 WeakPolarHBondContact CA-O 3.42Å; A127-W235 HydrophobicContact CB-CD2 4.39Å; A127-W235 HydrophobicContact CB-CE3 4.03Å; A127-W235 HydrophobicContact CB-CH2 4.22Å; A127-W235 HydrophobicContact CB-CZ3 3.94Å |
| 128 | V | 97 | Very high | 90.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150 | -178.7 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | Y126 P130 P138 D139 Y140 L233 T234 T236 F238 | Y126-V128 PolarHBondContact O-N 3.5Å; V128-P130 WeakPolarHBondContact O-CD 3.33Å; V128-P138 HydrophobicContact CB-CB 4.16Å; V128-P138 HydrophobicContact CG2-CB 4.1Å; V128-D139 CarbonylContact C-O 3.59Å; V128-D139 VanDerWaalsContact CA-O 3.25Å; V128-D139 WeakPolarHBondContact CA-O 3.29Å; V128-D139 WeakPolarHBondContact CB-O 3.4Å; V128-Y140 HydrophobicContact CG1-CD1 4.05Å; V128-Y140 HydrophobicContact CG1-CE1 3.84Å; V128-L233 WeakPolarHBondContact O-CA 3.43Å; V128-T234 PolarHBondContact N-O 3.49Å; V128-T234 PolarHBondContact O-N 3.23Å; V128-T236 VanDerWaalsContact CG2-OG1 3.24Å; V128-T236 WeakPolarHBondContact CG2-OG1 2.97Å; V128-F238 HydrophobicContact CG1-CE1 3.72Å; V128-F238 HydrophobicContact CG1-CZ 3.64Å |
| 129 | M | 95.7 | Very high | 90.8 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 20% | 0.202 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -79.3 | 108 | 167.4 | -47.8 | -167.5 | -63.5 | 0 | 0 | 106.6 | P138 D139 Y140 H142 F231 L233 | M129-P138 WeakPolarHBondContact O-CA 3.37Å; M129-D139 HydrophobicContact CE-CB 3.73Å; M129-D139 PolarHBondContact N-O 3.04Å; M129-D139 PolarHBondContact O-N 3.04Å; M129-Y140 VanDerWaalsContact CE-O 3.26Å; M129-Y140 WeakPolarHBondContact CE-O 3.23Å; M129-H142 VanDerWaalsContact CE-CE1 3.43Å; M129-H142 WeakPolarHBondContact CE-CE1 3.44Å; M129-F231 WeakPolarHBondContact CG-O 3.18Å; M129-F231 HydrophobicContact SD-CB 4.26Å; M129-F231 HydrophobicContact SD-CD1 4.29Å; M129-L233 HydrophobicContact CG-CD2 3.68Å |
| 130 | P | 91.4 | Very high | 90.8 | Very high | 63 Ų | 63 | 60.1 Ų | 60.1 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | trans | -70.4 | 157.4 | 177.6 | 32.7 | -32.6 | 0 | 0 | 0 | 109.5 | V128 P226 N232 T234 | V128-P130 WeakPolarHBondContact O-CD 3.33Å; P130-P226 HydrophobicContact CG-CG 4.26Å; P130-N232 WeakPolarHBondContact CD-O 3.34Å; P130-T234 HydrophobicContact CB-CG2 4.43Å; P130-T234 HydrophobicContact CG-CG2 4.21Å | ||
| 131 | T | 86.9 | Confident | 90.8 | Very high | 32 Ų | 32 | 60.1 Ų | 60.1 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | trans | -120.1 | 141.1 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | E133 E136 | T131-E133 PolarHBondContact OG1-N 3.02Å; T131-E136 VanDerWaalsContact CB-OE2 3.27Å; T131-E136 WeakPolarHBondContact CB-OE2 3.39Å; T131-E136 VanDerWaalsContact CG2-C 3.47Å; T131-E136 HydrophobicContact CG2-CB 3.7Å; T131-E136 HydrophobicContact CG2-CG 4.04Å; T131-E136 WeakPolarHBondContact CG2-O 3.34Å; T131-E136 WeakPolarHBondContact OG1-CB 3.33Å; T131-E136 PolarHBondContact OG1-OE2 3.46Å | ||
| 132 | V | 80.8 | Confident | 91.1 | Very high | 152 Ų | 152 | 55.1 Ų | 55.1 | 92% | 0.921 | 28% | 0.275 | S | S | * | . | trans | -80.1 | -22.1 | 172.1 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | E134 | V132-E134 PolarHBondContact O-N 3.29Š| ||
| 133 | E | 81.7 | Confident | 91.4 | Very high | 122 Ų | 122 | 46.4 Ų | 46.4 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -71.1 | 133 | -177.8 | -63.4 | -171.3 | 179.5 | 0 | 0 | 110.7 | T131 Y135 E136 K249 | T131-E133 PolarHBondContact OG1-N 3.02Å; E133-Y135 PolarHBondContact O-N 3.04Å; E133-E136 HydrophobicContact CB-CB 3.69Å; E133-E136 PolarHBondContact O-N 3.33Å; E133-K249 PolarHBondContact O-NZ 2.87Å; E133-K249 VanDerWaalsContact O-NZ 3.15Å |
| 134 | E | 78.7 | Confident | 91.8 | Very high | 132 Ų | 132 | 46.6 Ų | 46.6 | 62% | 0.617 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -41.7 | -173.5 | -174.1 | 173.5 | -168.3 | 0 | 0 | 111.6 | V132 K249 | V132-E134 PolarHBondContact O-N 3.29Å; E134-K249 WeakPolarHBondContact O-CD 3.36Å; E134-K249 WeakPolarHBondContact O-CE 3.39Å; E134-K249 WeakPolarHBondContact O-CG 3.49Å; E134-K249 PolarHBondContact O-NZ 2.79Å |
| 135 | Y | 80.9 | Confident | 91.9 | Very high | 93 Ų | 93 | 46 Ų | 46 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -4 | -173.8 | -53.9 | -55.7 | 0 | 0 | 0 | 115.1 | E133 K249 Q250 A252 K253 | E133-Y135 PolarHBondContact O-N 3.04Å; Y135-K249 WeakPolarHBondContact CD1-O 3.28Å; Y135-Q250 PolarHBondContact O-NE2 2.92Å; Y135-A252 HydrophobicContact CD1-CB 4.14Å; Y135-A252 HydrophobicContact CE1-CB 3.64Å; Y135-K253 HydrophobicContact CD1-CB 4.25Å; Y135-K253 HydrophobicContact CG-CB 4.03Å; Y135-K253 HydrophobicContact CG-CG 4.32Å |
| 136 | E | 84.4 | Confident | 91.9 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 147.8 | 175.8 | -166.3 | -176 | -169.7 | 0 | 0 | 109.9 | T131 E133 K249 | T131-E136 VanDerWaalsContact CB-OE2 3.27Å; T131-E136 WeakPolarHBondContact CB-OE2 3.39Å; T131-E136 VanDerWaalsContact CG2-C 3.47Å; T131-E136 HydrophobicContact CG2-CB 3.7Å; T131-E136 HydrophobicContact CG2-CG 4.04Å; T131-E136 WeakPolarHBondContact CG2-O 3.34Å; T131-E136 WeakPolarHBondContact OG1-CB 3.33Å; T131-E136 PolarHBondContact OG1-OE2 3.46Å; E133-E136 HydrophobicContact CB-CB 3.69Å; E133-E136 PolarHBondContact O-N 3.33Å; E136-K249 PolarHBondContact O-NZ 3.43Å |
| 137 | L | 90.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 143.3 | 177 | -66.7 | -177 | 0 | 0 | 0 | 109.8 | Q246 Q250 F282 F285 R286 L289 | L137-Q246 HydrophobicContact CD2-CB 3.74Å; L137-Q246 HydrophobicContact CD2-CG 4.2Å; L137-Q246 VanDerWaalsContact CD2-OE1 3.23Å; L137-Q250 HydrophobicContact CD1-CG 4.26Å; L137-Q250 HydrophobicContact CD2-CG 4.18Å; L137-Q250 HydrophobicContact CG-CG 4.42Å; L137-F282 HydrophobicContact CB-CZ 4.28Å; L137-F285 HydrophobicContact CD1-CD1 3.88Å; L137-F285 HydrophobicContact CD1-CE1 3.5Å; L137-F285 HydrophobicContact CD1-CZ 4.46Å; L137-F285 HydrophobicContact CD2-CE1 4.17Å; L137-R286 HydrophobicContact CB-CG 4.48Å; L137-R286 HydrophobicContact CD1-CG 4Å; L137-R286 PolarHBondContact O-NH1 2.7Å; L137-L289 HydrophobicContact CD1-CD1 3.27Å; L137-L289 HydrophobicContact CG-CD1 4.47Å |
| 138 | P | 93.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 148.3 | 169 | -22.1 | 32.4 | 0 | 0 | 0 | 111.6 | V128 M129 F242 F282 R286 | V128-P138 HydrophobicContact CB-CB 4.16Å; V128-P138 HydrophobicContact CG2-CB 4.1Å; M129-P138 WeakPolarHBondContact O-CA 3.37Å; P138-F242 HydrophobicContact CG-CE2 4.25Å; P138-F242 HydrophobicContact CG-CZ 4.46Å; P138-F282 WeakPolarHBondContact O-CE1 3.27Å; P138-F282 VanDerWaalsContact O-CZ 3.26Å; P138-F282 WeakPolarHBondContact O-CZ 3.32Å; P138-R286 VanDerWaalsContact C-NH1 3.31Å; P138-R286 PolarHBondContact O-NH1 3.42Å |
| 139 | D | 94.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -122.7 | 168 | -177.8 | -152.5 | 1.7 | 0 | 0 | 0 | 112.8 | Y114 V128 M129 H142 R286 | Y114-D139 VanDerWaalsContact CE1-OD1 3.27Å; Y114-D139 WeakPolarHBondContact CE1-OD1 3.32Å; Y114-D139 PolarHBondContact OH-OD2 2.94Å; Y114-D139 VanDerWaalsContact OH-OD2 3.12Å; V128-D139 CarbonylContact C-O 3.59Å; V128-D139 VanDerWaalsContact CA-O 3.25Å; V128-D139 WeakPolarHBondContact CA-O 3.29Å; V128-D139 WeakPolarHBondContact CB-O 3.4Å; M129-D139 HydrophobicContact CE-CB 3.73Å; M129-D139 PolarHBondContact N-O 3.04Å; M129-D139 PolarHBondContact O-N 3.04Å; D139-H142 IonicContact OD2-CE1 2.85Å; D139-H142 PolarHBondContact OD2-CE1 3.04Å; D139-H142 IonicContact OD2-ND1 2.64Å; D139-R286 IonicContact OD1-CZ 2.76Å; D139-R286 IonicContact OD1-NE 3.57Å; D139-R286 PolarHBondContact OD1-NE 3.27Å; D139-R286 IonicContact OD1-NH2 3.65Å; D139-R286 PolarHBondContact OD1-NH2 2.85Å; D139-R286 IonicContact OD2-CZ 3.44Å; D139-R286 IonicContact OD2-NE 3.63Å; D139-R286 IonicContact OD2-NH2 2.85Å; D139-R286 PolarHBondContact OD2-NH2 3.16Å |
| 140 | Y | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -93.4 | 152.4 | 172.8 | -63.5 | -59.4 | 0 | 0 | 0 | 111 | M116 Y126 V128 M129 H142 F238 G279 F282 M283 | M116-Y140 HydrophobicContact CG-CD1 4.07Å; M116-Y140 HydrophobicContact CG-CD2 3.83Å; M116-Y140 HydrophobicContact CG-CE1 4.1Å; M116-Y140 HydrophobicContact CG-CE2 3.85Å; M116-Y140 HydrophobicContact CG-CG 3.93Å; M116-Y140 HydrophobicContact SD-CD2 4.38Å; M116-Y140 HydrophobicContact SD-CE2 3.87Å; Y126-Y140 HydrophobicContact CD1-CE1 4.18Å; Y126-Y140 HydrophobicContact CG-CE1 4.35Å; V128-Y140 HydrophobicContact CG1-CD1 4.05Å; V128-Y140 HydrophobicContact CG1-CE1 3.84Å; M129-Y140 VanDerWaalsContact CE-O 3.26Å; M129-Y140 WeakPolarHBondContact CE-O 3.23Å; Y140-H142 PolarHBondContact O-N 2.64Å; Y140-H142 PolarHBondContact O-ND1 3.49Å; Y140-F238 HydrophobicContact CE1-CE2 4.42Å; Y140-F238 HydrophobicContact CE1-CZ 4.2Å; Y140-F238 WeakPolarHBondContact OH-CE2 3.49Å; Y140-G279 WeakPolarHBondContact OH-CA 3.11Å; Y140-G279 PolarHBondContact OH-O 3.16Å; Y140-G279 VanDerWaalsContact OH-O 3.12Å; Y140-F282 HydrophobicContact CE2-CD1 4.01Å; Y140-F282 AromaticContact CZ-CD1 3.91Å; Y140-M283 HydrophobicContact CD2-SD 4.15Å; Y140-M283 HydrophobicContact CE2-CB 4.17Å; Y140-M283 HydrophobicContact CE2-SD 4.44Å | ||
| 141 | P | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -59.8 | 132.8 | 175.1 | 26.5 | -32.6 | 0 | 0 | 0 | 109.8 | V115 L117 I157 F231 L233 | V115-P141 PolarHBondContact N-O 3.25Å; V115-P141 WeakPolarHBondContact O-CD 3.44Å; V115-P141 VanDerWaalsContact O-CG 3.23Å; V115-P141 WeakPolarHBondContact O-CG 3.41Å; L117-P141 HydrophobicContact CD1-CG 4.49Å; P141-I157 HydrophobicContact CB-CD1 4.18Å; P141-F231 HydrophobicContact CB-CB 4.23Å; P141-F231 HydrophobicContact CB-CD1 3.77Å; P141-F231 HydrophobicContact CB-CE1 4.26Å; P141-F231 HydrophobicContact CB-CG 3.96Å; P141-L233 HydrophobicContact CB-CD1 4.4Å; P141-L233 HydrophobicContact CB-CD2 4.17Å; P141-L233 HydrophobicContact CG-CD1 4.17Å; P141-L233 HydrophobicContact CG-CD2 4.05Å | ||
| 142 | H | 97 | Very high | 91.5 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 151.1 | -177.7 | 55.7 | -96.6 | 0 | 0 | 0 | 111.5 | L112 V113 Y114 M129 D139 Y140 | L112-H142 HydrophobicContact CD1-CB 4.07Å; V113-H142 WeakPolarHBondContact O-CA 3.46Å; Y114-H142 HydrophobicContact CD1-CB 3.59Å; Y114-H142 AromaticContact CD1-ND1 3.94Å; Y114-H142 HydrophobicContact CD2-CB 4.09Å; Y114-H142 HydrophobicContact CE1-CB 3.69Å; Y114-H142 AromaticContact CE1-CG 3.65Å; Y114-H142 AromaticContact CE1-ND1 3.21Å; Y114-H142 WeakPolarHBondContact CE1-ND1 3.39Å; Y114-H142 HydrophobicContact CE2-CB 4.18Å; Y114-H142 HydrophobicContact CG-CB 3.82Å; Y114-H142 AromaticContact CZ-CG 3.8Å; Y114-H142 AromaticContact CZ-ND1 3.58Å; M129-H142 VanDerWaalsContact CE-CE1 3.43Å; M129-H142 WeakPolarHBondContact CE-CE1 3.44Å; D139-H142 IonicContact OD2-CE1 2.85Å; D139-H142 PolarHBondContact OD2-CE1 3.04Å; D139-H142 IonicContact OD2-ND1 2.64Å; Y140-H142 PolarHBondContact O-N 2.64Å; Y140-H142 PolarHBondContact O-ND1 3.49Å |
| 143 | V | 97.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.2 | -175.9 | -179.5 | 0 | 0 | 0 | 0 | 109 | V113 V145 P154 P156 I157 F231 | V113-V143 PolarHBondContact N-O 3.46Å; V113-V143 PolarHBondContact O-N 2.98Å; V143-V145 HydrophobicContact CG1-CG1 4.09Å; V143-P154 HydrophobicContact CB-CB 3.84Å; V143-P154 HydrophobicContact CB-CG 4.17Å; V143-P154 HydrophobicContact CG1-CB 4.2Å; V143-P154 HydrophobicContact CG2-CB 4.03Å; V143-P156 HydrophobicContact CG1-CG 4.15Å; V143-P156 HydrophobicContact CG2-CB 4.32Å; V143-P156 HydrophobicContact CG2-CG 4.41Å; V143-I157 HydrophobicContact CG2-CD1 4.08Å; V143-I157 HydrophobicContact CG2-CG1 4.06Å; V143-F231 HydrophobicContact CG2-CE1 3.87Å; V143-F231 HydrophobicContact CG2-CZ 3.72Å |
| 144 | F | 97.1 | Very high | 93 | Very high | 74 Ų | 74 | 47.2 Ų | 47.2 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.3 | 164.6 | -79.3 | -77.5 | 0 | 0 | 0 | 109.5 | L104 N110 H111 L112 I204 | L104-F144 HydrophobicContact CD2-CE1 4.3Å; L104-F144 HydrophobicContact CD2-CZ 4.06Å; N110-F144 HydrophobicContact CB-CD1 4.25Å; N110-F144 HydrophobicContact CB-CE1 3.94Å; H111-F144 CarbonylContact O-C 3.48Å; H111-F144 VanDerWaalsContact O-CA 3.28Å; H111-F144 WeakPolarHBondContact O-CA 3.37Å; H111-F144 WeakPolarHBondContact O-CD1 3.48Å; L112-F144 HydrophobicContact CB-CD1 4.16Å; L112-F144 HydrophobicContact CB-CE1 3.97Å; L112-F144 HydrophobicContact CD1-CD1 4.12Å; L112-F144 HydrophobicContact CD1-CD2 3.96Å; L112-F144 HydrophobicContact CD1-CE1 4.16Å; L112-F144 HydrophobicContact CD1-CE2 4Å; L112-F144 HydrophobicContact CD1-CG 4.02Å; L112-F144 HydrophobicContact CD1-CZ 4.11Å; L112-F144 HydrophobicContact CD2-CZ 4.38Å; L112-F144 HydrophobicContact CG-CE1 4.49Å; F144-I204 HydrophobicContact CE1-CD1 4.2Å; F144-I204 HydrophobicContact CE1-CG1 4.21Å; F144-I204 HydrophobicContact CZ-CD1 3.89Å; F144-I204 HydrophobicContact CZ-CG1 4.37Å |
| 145 | V | 96.9 | Very high | 93.9 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.6 | -178.3 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | H111 V113 V143 P148 P154 | H111-V145 HydrophobicContact CB-CG2 4.05Å; H111-V145 WeakPolarHBondContact CB-O 3.35Å; H111-V145 PolarHBondContact O-N 3.01Å; V113-V145 HydrophobicContact CG2-CG2 3.71Å; V143-V145 HydrophobicContact CG1-CG1 4.09Å; V145-P148 HydrophobicContact CG2-CB 3.8Å; V145-P154 HydrophobicContact CG1-CB 4.31Å; V145-P154 HydrophobicContact CG1-CG 4.42Å |
| 146 | D | 96.2 | Very high | 94.6 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 34% | 0.342 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -78.7 | -38.1 | 178.1 | -75.4 | -39.1 | 0 | 0 | 0 | 112.3 | I66 D67 R106 | I66-D146 HydrophobicContact CG1-CB 4.41Å; D67-D146 WeakPolarHBondContact CB-O 3.46Å; D67-D146 PolarHBondContact N-O 3.21Å; R106-D146 IonicContact CZ-OD1 2.8Å; R106-D146 IonicContact NE-OD1 3.39Å; R106-D146 PolarHBondContact NE-OD1 3.22Å; R106-D146 VanDerWaalsContact NH2-CG 3.3Å; R106-D146 IonicContact NH2-OD1 3.73Å; R106-D146 PolarHBondContact NH2-OD1 3.02Å; R106-D146 IonicContact NH2-OD2 3.77Å; R106-D146 PolarHBondContact NH2-OD2 2.85Å |
| 147 | N | 96.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.171 | 21% | 0.209 | C | C | . | . | trans | -124.7 | 100 | 174.5 | -173.5 | -17.9 | 0 | 0 | 0 | 110.1 | L149 E150 | N147-L149 PolarHBondContact O-N 3.32Å; N147-L149 PolarHBondContact OD1-N 2.69Å; N147-E150 HydrophobicContact CB-CB 3.97Å; N147-E150 PolarHBondContact O-N 3.4Å; N147-E150 PolarHBondContact OD1-N 2.78Å | ||
| 148 | P | 94.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.3 | -174.1 | 31.8 | -38.6 | 0 | 0 | 0 | 114.3 | M71 H111 V113 V145 R207 | M71-P148 HydrophobicContact CE-CG 3.46Å; M71-P148 VanDerWaalsContact CE-CG 3.46Å; M71-P148 HydrophobicContact SD-CB 4.3Å; M71-P148 HydrophobicContact SD-CG 3.59Å; M71-P148 VanDerWaalsContact SD-CG 3.59Å; H111-P148 HydrophobicContact CB-CB 3.82Å; H111-P148 HydrophobicContact CB-CG 3.78Å; H111-P148 VanDerWaalsContact CG-CG 3.46Å; V113-P148 HydrophobicContact CG2-CB 4.41Å; V145-P148 HydrophobicContact CG2-CB 3.8Å; P148-R207 PolarHBondContact O-NH1 2.79Å |
| 149 | L | 91.5 | Very high | 95.8 | Very high | 72 Ų | 72 | 44 Ų | 44 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -9.6 | -179.1 | -59.7 | -177.2 | 0 | 0 | 0 | 113 | M71 N147 | M71-L149 HydrophobicContact CE-CD1 4.49Å; M71-L149 HydrophobicContact CE-CG 4.49Å; M71-L149 HydrophobicContact SD-CD2 4.35Å; M71-L149 HydrophobicContact SD-CG 4.38Å; N147-L149 PolarHBondContact O-N 3.32Å; N147-L149 PolarHBondContact OD1-N 2.69Å |
| 150 | E | 93.1 | Very high | 96 | Very high | 137 Ų | 137 | 43.5 Ų | 43.5 | 64% | 0.64 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -47.9 | 176.6 | -174.2 | -177.4 | -167.5 | 0 | 0 | 111.7 | N147 | N147-E150 HydrophobicContact CB-CB 3.97Å; N147-E150 PolarHBondContact O-N 3.4Å; N147-E150 PolarHBondContact OD1-N 2.78Å |
| 151 | N | 92.4 | Very high | 96.1 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -122 | 123.9 | 175.4 | -69.8 | -81.6 | 0 | 0 | 0 | 109.2 | I153 | N151-I153 VanDerWaalsContact C-N 3.3Å; N151-I153 PolarHBondContact O-N 3.46Å |
| 152 | P | 89.9 | Confident | 96.1 | Very high | 82 Ų | 82 | 46 Ų | 46 | 53% | 0.532 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -54.6 | -45.8 | 177.9 | -29 | 35.7 | 0 | 0 | 0 | 112.4 | R207 L209 | P152-R207 PolarHBondContact O-NH1 3.04Å; P152-L209 WeakPolarHBondContact O-CD1 3.25Å |
| 153 | I | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -108.5 | 134.7 | 177.4 | -57.7 | 158.5 | 0 | 0 | 0 | 109 | V115 N151 I155 I157 L158 E182 C185 I211 | V115-I153 HydrophobicContact CG2-CG2 4.37Å; N151-I153 VanDerWaalsContact C-N 3.3Å; N151-I153 PolarHBondContact O-N 3.46Å; I153-I155 PolarHBondContact O-N 3.36Å; I153-I157 HydrophobicContact CG2-CB 4.38Å; I153-I157 HydrophobicContact CG2-CG2 4.25Å; I153-L158 HydrophobicContact CB-CD1 4.18Å; I153-L158 HydrophobicContact CB-CD2 4.02Å; I153-L158 HydrophobicContact CB-CG 3.93Å; I153-L158 HydrophobicContact CD1-CD2 3.98Å; I153-L158 HydrophobicContact CG2-CD1 4.48Å; I153-L158 HydrophobicContact CG2-CD2 3.88Å; I153-L158 HydrophobicContact CG2-CG 3.72Å; I153-E182 HydrophobicContact CD1-CB 4.5Å; I153-E182 HydrophobicContact CD1-CG 4.13Å; I153-C185 HydrophobicContact CD1-CB 4Å; I153-C185 HydrophobicContact CG1-CB 4.28Å; I153-I211 HydrophobicContact CD1-CD1 3.56Å; I153-I211 HydrophobicContact CD1-CG1 4.25Å; I153-I211 HydrophobicContact CG1-CD1 4.15Å; I153-I211 HydrophobicContact CG2-CD1 4.37Å |
| 154 | P | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | trans | -58.7 | 136.7 | 178.8 | -26.4 | 36.1 | 0 | 0 | 0 | 113.6 | V113 V115 V143 V145 I157 L158 | V113-P154 HydrophobicContact CB-CG 3.59Å; V113-P154 HydrophobicContact CG1-CG 3.62Å; V113-P154 HydrophobicContact CG2-CG 4.32Å; V115-P154 HydrophobicContact CG2-CG 4.5Å; V143-P154 HydrophobicContact CB-CB 3.84Å; V143-P154 HydrophobicContact CB-CG 4.17Å; V143-P154 HydrophobicContact CG1-CB 4.2Å; V143-P154 HydrophobicContact CG2-CB 4.03Å; V145-P154 HydrophobicContact CG1-CB 4.31Å; V145-P154 HydrophobicContact CG1-CG 4.42Å; P154-I157 HydrophobicContact CB-CD1 4.39Å; P154-I157 HydrophobicContact CG-CD1 4.28Å; P154-I157 PolarHBondContact O-N 3.02Å; P154-L158 PolarHBondContact O-N 2.99Å; P154-L158 VanDerWaalsContact O-N 3.1Å | ||
| 155 | I | 96.7 | Very high | 96.1 | Very high | 83 Ų | 83 | 44 Ų | 44 | 43% | 0.426 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -52.1 | -45.6 | -178.6 | -66.2 | 169.9 | 0 | 0 | 0 | 112.9 | I153 I157 L158 Q159 | I153-I155 PolarHBondContact O-N 3.36Å; I155-I157 VanDerWaalsContact C-N 3.26Å; I155-I157 PolarHBondContact O-N 3.42Å; I155-L158 PolarHBondContact O-N 2.99Å; I155-Q159 HydrophobicContact CG2-CG 4Å; I155-Q159 WeakPolarHBondContact O-CB 3.37Å; I155-Q159 WeakPolarHBondContact O-CG 3.24Å; I155-Q159 PolarHBondContact O-N 3.46Å |
| 156 | P | 97.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 36% | 0.357 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -34.8 | 179.7 | -27.5 | 37.4 | 0 | 0 | 0 | 113.7 | V143 M160 F231 | V143-P156 HydrophobicContact CG1-CG 4.15Å; V143-P156 HydrophobicContact CG2-CB 4.32Å; V143-P156 HydrophobicContact CG2-CG 4.41Å; P156-M160 WeakPolarHBondContact O-CB 3.23Å; P156-M160 PolarHBondContact O-N 3.13Å; P156-F231 HydrophobicContact CB-CE2 4.44Å; P156-F231 HydrophobicContact CB-CZ 4.11Å |
| 157 | I | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.8 | -45.6 | 177.8 | -63.6 | 176 | 0 | 0 | 0 | 109.6 | V115 P141 V143 I153 P154 I155 Q159 M160 L161 F231 | V115-I157 HydrophobicContact CB-CD1 3.84Å; V115-I157 HydrophobicContact CG1-CG2 4.5Å; V115-I157 HydrophobicContact CG2-CD1 3.45Å; V115-I157 VanDerWaalsContact CG2-CD1 3.45Å; P141-I157 HydrophobicContact CB-CD1 4.18Å; V143-I157 HydrophobicContact CG2-CD1 4.08Å; V143-I157 HydrophobicContact CG2-CG1 4.06Å; I153-I157 HydrophobicContact CG2-CB 4.38Å; I153-I157 HydrophobicContact CG2-CG2 4.25Å; P154-I157 HydrophobicContact CB-CD1 4.39Å; P154-I157 HydrophobicContact CG-CD1 4.28Å; P154-I157 PolarHBondContact O-N 3.02Å; I155-I157 VanDerWaalsContact C-N 3.26Å; I155-I157 PolarHBondContact O-N 3.42Å; I157-Q159 VanDerWaalsContact C-N 3.31Å; I157-Q159 PolarHBondContact O-N 3.16Å; I157-M160 HydrophobicContact CG2-CE 4.32Å; I157-M160 PolarHBondContact O-N 3.26Å; I157-L161 HydrophobicContact CG2-CD1 4.31Å; I157-L161 WeakPolarHBondContact O-CG 3.13Å; I157-L161 PolarHBondContact O-N 2.77Å; I157-F231 HydrophobicContact CG1-CE1 4.33Å; I157-F231 HydrophobicContact CG1-CE2 3.88Å; I157-F231 HydrophobicContact CG1-CZ 3.65Å |
| 158 | L | 97.2 | Very high | 96.1 | Very high | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 175.2 | -76.3 | 177.8 | 0 | 0 | 0 | 112.6 | I153 P154 I155 L161 R162 M178 E182 | I153-L158 HydrophobicContact CB-CD1 4.18Å; I153-L158 HydrophobicContact CB-CD2 4.02Å; I153-L158 HydrophobicContact CB-CG 3.93Å; I153-L158 HydrophobicContact CD1-CD2 3.98Å; I153-L158 HydrophobicContact CG2-CD1 4.48Å; I153-L158 HydrophobicContact CG2-CD2 3.88Å; I153-L158 HydrophobicContact CG2-CG 3.72Å; P154-L158 PolarHBondContact O-N 2.99Å; P154-L158 VanDerWaalsContact O-N 3.1Å; I155-L158 PolarHBondContact O-N 2.99Å; L158-L161 PolarHBondContact O-N 3.36Å; L158-R162 WeakPolarHBondContact O-CG 3.43Å; L158-R162 PolarHBondContact O-N 2.77Å; L158-M178 HydrophobicContact CD2-CE 3.56Å; L158-E182 HydrophobicContact CD2-CG 3.98Å |
| 159 | Q | 97.7 | Very high | 96.2 | Very high | 113 Ų | 113 | 57.2 Ų | 57.2 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 176.6 | -75 | 175.2 | -15 | 0 | 0 | 111.6 | I155 I157 L161 R162 T163 | I155-Q159 HydrophobicContact CG2-CG 4Å; I155-Q159 WeakPolarHBondContact O-CB 3.37Å; I155-Q159 WeakPolarHBondContact O-CG 3.24Å; I155-Q159 PolarHBondContact O-N 3.46Å; I157-Q159 VanDerWaalsContact C-N 3.31Å; I157-Q159 PolarHBondContact O-N 3.16Å; Q159-L161 PolarHBondContact O-N 2.87Å; Q159-R162 PolarHBondContact O-N 2.95Å; Q159-T163 WeakPolarHBondContact O-CB 3.34Å; Q159-T163 PolarHBondContact O-N 3.48Å; Q159-T163 PolarHBondContact O-OG1 3.4Å |
| 160 | M | 98 | Very high | 96.5 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.5 | -50.7 | 173.7 | 173.9 | -163.9 | 66.4 | 0 | 0 | 110.9 | L117 P156 I157 R162 T163 K164 F224 N229 P230 F231 L233 | L117-M160 HydrophobicContact CD1-CE 4.09Å; P156-M160 WeakPolarHBondContact O-CB 3.23Å; P156-M160 PolarHBondContact O-N 3.13Å; I157-M160 HydrophobicContact CG2-CE 4.32Å; I157-M160 PolarHBondContact O-N 3.26Å; M160-R162 PolarHBondContact O-N 3.43Å; M160-T163 PolarHBondContact O-N 3.26Å; M160-K164 HydrophobicContact CG-CG 4.32Å; M160-K164 WeakPolarHBondContact O-CG 3.42Å; M160-K164 PolarHBondContact O-N 3.34Å; M160-F224 HydrophobicContact CE-CE1 4.02Å; M160-F224 HydrophobicContact CE-CZ 4.04Å; M160-F224 HydrophobicContact SD-CE1 4.01Å; M160-N229 HydrophobicContact CG-CB 4.4Å; M160-N229 HydrophobicContact SD-CB 4.21Å; M160-P230 HydrophobicContact CB-CG 4.19Å; M160-P230 HydrophobicContact CG-CG 4.23Å; M160-F231 HydrophobicContact CE-CD2 4.39Å; M160-F231 HydrophobicContact SD-CB 4.48Å; M160-F231 HydrophobicContact SD-CD2 3.61Å; M160-F231 HydrophobicContact SD-CE2 4.35Å; M160-F231 HydrophobicContact SD-CG 4.48Å; M160-L233 HydrophobicContact CE-CD1 3.68Å; M160-L233 HydrophobicContact SD-CD1 3.75Å |
| 161 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | -179.2 | -65.4 | 176 | 0 | 0 | 0 | 111.6 | L117 I157 L158 Q159 T163 K164 L165 M178 V181 I211 I219 I222 F224 | L117-L161 HydrophobicContact CD1-CD2 3.99Å; L117-L161 HydrophobicContact CD2-CD1 4.28Å; I157-L161 HydrophobicContact CG2-CD1 4.31Å; I157-L161 WeakPolarHBondContact O-CG 3.13Å; I157-L161 PolarHBondContact O-N 2.77Å; L158-L161 PolarHBondContact O-N 3.36Å; Q159-L161 PolarHBondContact O-N 2.87Å; L161-T163 PolarHBondContact O-N 2.8Å; L161-K164 PolarHBondContact O-N 2.84Å; L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 2.85Å; L161-M178 HydrophobicContact CB-CE 4.2Å; L161-M178 HydrophobicContact CB-SD 4.1Å; L161-M178 HydrophobicContact CD1-CE 4.48Å; L161-V181 HydrophobicContact CD1-CG1 4.26Å; L161-I211 HydrophobicContact CD1-CD1 4.42Å; L161-I219 HydrophobicContact CD1-CG2 4.01Å; L161-I219 HydrophobicContact CD2-CB 4.48Å; L161-I219 HydrophobicContact CD2-CG2 3.88Å; L161-I219 HydrophobicContact CG-CG2 4.44Å; L161-I222 HydrophobicContact CB-CD1 4.49Å; L161-I222 HydrophobicContact CD2-CD1 3.56Å; L161-F224 HydrophobicContact CD2-CZ 3.96Å |
| 162 | R | 97.8 | Very high | 97 | Very high | 53 Ų | 53 | 64.9 Ų | 64.9 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 175.1 | -80.2 | -176.9 | 179.2 | 89.9 | 5.5 | 111.9 | L158 Q159 M160 L165 R166 V174 E175 M178 E182 | L158-R162 WeakPolarHBondContact O-CG 3.43Å; L158-R162 PolarHBondContact O-N 2.77Å; Q159-R162 PolarHBondContact O-N 2.95Å; M160-R162 PolarHBondContact O-N 3.43Å; R162-L165 PolarHBondContact O-N 2.86Å; R162-R166 WeakPolarHBondContact O-CB 3.47Å; R162-R166 WeakPolarHBondContact O-CG 3.14Å; R162-R166 PolarHBondContact O-N 2.97Å; R162-V174 HydrophobicContact CG-CG1 4.47Å; R162-E175 IonicContact CZ-OE2 2.95Å; R162-E175 IonicContact NE-OE1 3.59Å; R162-E175 IonicContact NE-OE2 3.4Å; R162-E175 PolarHBondContact NE-OE2 2.87Å; R162-E175 VanDerWaalsContact NE-OE2 3.16Å; R162-E175 IonicContact NH2-OE2 3.56Å; R162-M178 HydrophobicContact CG-CE 4.23Å; R162-M178 HydrophobicContact CG-CG 3.6Å; R162-M178 HydrophobicContact CG-SD 3.97Å; R162-E182 IonicContact CZ-OE1 3.23Å; R162-E182 IonicContact NH1-OE1 3.5Å; R162-E182 IonicContact NH2-OE1 2.81Å; R162-E182 PolarHBondContact NH2-OE1 3.22Å |
| 163 | T | 97.5 | Very high | 97.4 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -49.6 | -179.9 | -64.1 | 0 | 0 | 0 | 0 | 111 | Q159 M160 L161 L165 R166 E167 | Q159-T163 WeakPolarHBondContact O-CB 3.34Å; Q159-T163 PolarHBondContact O-N 3.48Å; Q159-T163 PolarHBondContact O-OG1 3.4Å; M160-T163 PolarHBondContact O-N 3.26Å; L161-T163 PolarHBondContact O-N 2.8Å; T163-L165 PolarHBondContact O-N 2.75Å; T163-R166 PolarHBondContact O-N 2.99Å; T163-R166 VanDerWaalsContact O-N 3.16Å; T163-E167 PolarHBondContact O-N 3.29Å |
| 164 | K | 97.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 67 Ų | 67 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | -179.8 | -67.6 | -54.1 | -56.7 | 173.4 | 0 | 113 | M160 L161 E167 I222 F224 N229 | M160-K164 HydrophobicContact CG-CG 4.32Å; M160-K164 WeakPolarHBondContact O-CG 3.42Å; M160-K164 PolarHBondContact O-N 3.34Å; L161-K164 PolarHBondContact O-N 2.84Å; K164-E167 WeakPolarHBondContact CD-OE1 3.46Å; K164-E167 WeakPolarHBondContact CE-OE1 3.43Å; K164-E167 WeakPolarHBondContact CE-OE2 3.33Å; K164-E167 IonicContact NZ-OE1 2.65Å; K164-E167 PolarHBondContact NZ-OE1 3.4Å; K164-E167 IonicContact NZ-OE2 3.11Å; K164-E167 PolarHBondContact NZ-OE2 3.17Å; K164-E167 WeakPolarHBondContact O-CB 3.34Å; K164-I222 HydrophobicContact CB-CD1 4.1Å; K164-I222 HydrophobicContact CB-CG1 4.11Å; K164-I222 HydrophobicContact CB-CG2 3.64Å; K164-I222 HydrophobicContact CG-CG2 4.03Å; K164-F224 HydrophobicContact CG-CE1 4.27Å; K164-N229 HydrophobicContact CD-CB 4.49Å |
| 165 | L | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 175.1 | -71.1 | 170.1 | 0 | 0 | 0 | 111.9 | L161 R162 T163 E167 K168 Y169 V174 M177 M178 L221 I222 | L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 2.85Å; R162-L165 PolarHBondContact O-N 2.86Å; T163-L165 PolarHBondContact O-N 2.75Å; L165-E167 PolarHBondContact O-N 2.92Å; L165-K168 PolarHBondContact O-N 2.91Å; L165-K168 VanDerWaalsContact O-N 3.13Å; L165-Y169 HydrophobicContact CD2-CD2 4.29Å; L165-Y169 HydrophobicContact CD2-CE2 4.42Å; L165-Y169 WeakPolarHBondContact O-CB 3.33Å; L165-Y169 VanDerWaalsContact O-CD2 3.31Å; L165-Y169 WeakPolarHBondContact O-CD2 2.98Å; L165-Y169 PolarHBondContact O-N 2.9Å; L165-V174 HydrophobicContact CB-CB 4.47Å; L165-V174 HydrophobicContact CB-CG1 3.81Å; L165-V174 HydrophobicContact CB-CG2 3.84Å; L165-V174 HydrophobicContact CD1-CG1 4.23Å; L165-M177 HydrophobicContact CD1-CB 4.46Å; L165-M177 HydrophobicContact CD1-SD 4.14Å; L165-M177 HydrophobicContact CD2-SD 3.96Å; L165-M178 HydrophobicContact CD1-SD 4.05Å; L165-L221 HydrophobicContact CD2-CB 4.48Å; L165-I222 HydrophobicContact CD2-CD1 4.22Å; L165-I222 HydrophobicContact CD2-CG1 3.68Å; L165-I222 HydrophobicContact CG-CD1 4Å; L165-I222 HydrophobicContact CG-CG1 3.93Å |
| 166 | R | 97.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.6 | -16.6 | 178.6 | -75.6 | 171.7 | -176 | 171.6 | 0.4 | 114.2 | R162 T163 K168 Y169 V174 E175 | R162-R166 WeakPolarHBondContact O-CB 3.47Å; R162-R166 WeakPolarHBondContact O-CG 3.14Å; R162-R166 PolarHBondContact O-N 2.97Å; T163-R166 PolarHBondContact O-N 2.99Å; T163-R166 VanDerWaalsContact O-N 3.16Å; R166-K168 PolarHBondContact O-N 2.76Å; R166-Y169 WeakPolarHBondContact CA-O 3.46Å; R166-V174 HydrophobicContact CG-CB 4.18Å; R166-V174 HydrophobicContact CG-CG1 4.12Å; R166-V174 HydrophobicContact CG-CG2 3.88Å; R166-E175 IonicContact CZ-OE1 2.76Å; R166-E175 IonicContact NE-OE1 3.51Å; R166-E175 IonicContact NH2-OE1 3.5Å; R166-E175 PolarHBondContact NH2-OE1 2.88Å |
| 167 | E | 95.9 | Very high | 97.5 | Very high | 114 Ų | 114 | 67.8 Ų | 67.8 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.8 | 170.9 | -67.9 | 173 | -168.4 | 0 | 0 | 112.3 | T163 K164 L165 | T163-E167 PolarHBondContact O-N 3.29Å; K164-E167 WeakPolarHBondContact CD-OE1 3.46Å; K164-E167 WeakPolarHBondContact CE-OE1 3.43Å; K164-E167 WeakPolarHBondContact CE-OE2 3.33Å; K164-E167 IonicContact NZ-OE1 2.65Å; K164-E167 PolarHBondContact NZ-OE1 3.4Å; K164-E167 IonicContact NZ-OE2 3.11Å; K164-E167 PolarHBondContact NZ-OE2 3.17Å; K164-E167 WeakPolarHBondContact O-CB 3.34Å; L165-E167 PolarHBondContact O-N 2.92Å |
| 168 | K | 95.6 | Very high | 97.5 | Very high | 129 Ų | 129 | 67.8 Ų | 67.8 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -24.5 | -176.5 | -63.6 | -177.5 | -177.8 | 177.1 | 0 | 113.8 | L165 R166 | L165-K168 PolarHBondContact O-N 2.91Å; L165-K168 VanDerWaalsContact O-N 3.13Å; R166-K168 PolarHBondContact O-N 2.76Å |
| 169 | Y | 97.5 | Very high | 97.5 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -124.2 | 147.3 | -169.6 | -58 | -71.2 | 0 | 0 | 0 | 112.5 | L165 R166 Y173 M177 L221 | L165-Y169 HydrophobicContact CD2-CD2 4.29Å; L165-Y169 HydrophobicContact CD2-CE2 4.42Å; L165-Y169 WeakPolarHBondContact O-CB 3.33Å; L165-Y169 VanDerWaalsContact O-CD2 3.31Å; L165-Y169 WeakPolarHBondContact O-CD2 2.98Å; L165-Y169 PolarHBondContact O-N 2.9Å; R166-Y169 WeakPolarHBondContact CA-O 3.46Å; Y169-Y173 AromaticContact CD1-CD1 3.91Å; Y169-Y173 HydrophobicContact CD1-CD1 3.91Å; Y169-Y173 AromaticContact CD1-CE1 3.92Å; Y169-Y173 HydrophobicContact CD1-CE1 3.92Å; Y169-Y173 HydrophobicContact CE1-CE1 4.37Å; Y169-Y173 HydrophobicContact CG-CD1 4.21Å; Y169-Y173 HydrophobicContact CG-CE1 4.48Å; Y169-M177 HydrophobicContact CD1-CE 4.44Å; Y169-M177 HydrophobicContact CD2-CE 4.26Å; Y169-M177 HydrophobicContact CE2-CE 4.39Å; Y169-M177 HydrophobicContact CG-CE 4.3Å; Y169-L221 HydrophobicContact CE2-CB 4.13Å; Y169-L221 HydrophobicContact CE2-CD1 3.97Å |
| 170 | K | 97.8 | Very high | 97.4 | Very high | 179 Ų | 179 | 70.1 Ų | 70.1 | 78% | 0.778 | 32% | 0.324 | S | S | * | . | trans | -64.8 | 146.2 | 178.4 | -65.5 | -176.6 | -179.8 | 179.7 | 0 | 111.3 | A172 Y173 V174 | K170-A172 PolarHBondContact O-N 3.41Å; K170-Y173 PolarHBondContact O-N 3.3Å; K170-V174 PolarHBondContact O-N 2.66Å | ||
| 171 | R | 97.8 | Very high | 97.3 | Very high | 177 Ų | 177 | 69.8 Ų | 69.8 | 67% | 0.668 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -47.5 | -50.1 | -177.4 | -177.6 | 176.1 | 177.6 | 145.9 | -1.9 | 114 | Y173 V174 E175 | R171-Y173 VanDerWaalsContact C-N 3.32Å; R171-Y173 PolarHBondContact O-N 3.17Å; R171-V174 PolarHBondContact O-N 3.32Å; R171-E175 PolarHBondContact O-N 3.29Å |
| 172 | A | 97.9 | Very high | 97.2 | Very high | 77 Ų | 77 | 73.5 Ų | 73.5 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | K170 E175 E176 | K170-A172 PolarHBondContact O-N 3.41Å; A172-E175 PolarHBondContact O-N 3.02Å; A172-E176 PolarHBondContact O-N 3.27Å |
| 173 | Y | 97.7 | Very high | 97 | Very high | 131 Ų | 131 | 77.8 Ų | 77.8 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 177.9 | -172 | -134.2 | 0 | 0 | 0 | 111.9 | Y169 K170 R171 E175 E176 M177 | Y169-Y173 AromaticContact CD1-CD1 3.91Å; Y169-Y173 HydrophobicContact CD1-CD1 3.91Å; Y169-Y173 AromaticContact CD1-CE1 3.92Å; Y169-Y173 HydrophobicContact CD1-CE1 3.92Å; Y169-Y173 HydrophobicContact CE1-CE1 4.37Å; Y169-Y173 HydrophobicContact CG-CD1 4.21Å; Y169-Y173 HydrophobicContact CG-CE1 4.48Å; K170-Y173 PolarHBondContact O-N 3.3Å; R171-Y173 VanDerWaalsContact C-N 3.32Å; R171-Y173 PolarHBondContact O-N 3.17Å; Y173-E175 PolarHBondContact O-N 3.31Å; Y173-E176 PolarHBondContact O-N 3.34Å; Y173-M177 HydrophobicContact CD1-CE 3.79Å; Y173-M177 HydrophobicContact CE1-CE 3.2Å; Y173-M177 HydrophobicContact CE2-CE 4.41Å; Y173-M177 WeakPolarHBondContact O-CG 3.44Å; Y173-M177 PolarHBondContact O-N 3.03Å |
| 174 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | R162 L165 R166 K170 R171 E176 M177 M178 | R162-V174 HydrophobicContact CG-CG1 4.47Å; L165-V174 HydrophobicContact CB-CB 4.47Å; L165-V174 HydrophobicContact CB-CG1 3.81Å; L165-V174 HydrophobicContact CB-CG2 3.84Å; L165-V174 HydrophobicContact CD1-CG1 4.23Å; R166-V174 HydrophobicContact CG-CB 4.18Å; R166-V174 HydrophobicContact CG-CG1 4.12Å; R166-V174 HydrophobicContact CG-CG2 3.88Å; K170-V174 PolarHBondContact O-N 2.66Å; R171-V174 PolarHBondContact O-N 3.32Å; V174-E176 VanDerWaalsContact C-N 3.33Å; V174-E176 PolarHBondContact O-N 3.44Å; V174-M177 WeakPolarHBondContact O-CB 3.42Å; V174-M177 PolarHBondContact O-N 3.4Å; V174-M178 HydrophobicContact CG1-CG 4.2Å; V174-M178 VanDerWaalsContact O-CG 3.3Å; V174-M178 WeakPolarHBondContact O-CG 3.49Å; V174-M178 PolarHBondContact O-N 2.8Å |
| 175 | E | 98 | Very high | 96.8 | Very high | 52 Ų | 52 | 76.3 Ų | 76.3 | 24% | 0.243 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 177.1 | -62.5 | -44 | 138.3 | 0 | 0 | 112.4 | R162 R166 R171 A172 Y173 M178 K179 | R162-E175 IonicContact CZ-OE2 2.95Å; R162-E175 IonicContact NE-OE1 3.59Å; R162-E175 IonicContact NE-OE2 3.4Å; R162-E175 PolarHBondContact NE-OE2 2.87Å; R162-E175 VanDerWaalsContact NE-OE2 3.16Å; R162-E175 IonicContact NH2-OE2 3.56Å; R166-E175 IonicContact CZ-OE1 2.76Å; R166-E175 IonicContact NE-OE1 3.51Å; R166-E175 IonicContact NH2-OE1 3.5Å; R166-E175 PolarHBondContact NH2-OE1 2.88Å; R171-E175 PolarHBondContact O-N 3.29Å; A172-E175 PolarHBondContact O-N 3.02Å; Y173-E175 PolarHBondContact O-N 3.31Å; E175-M178 PolarHBondContact O-N 3.15Å; E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 2.91Å; E175-K179 VanDerWaalsContact O-N 3.15Å |
| 176 | E | 97.6 | Very high | 96.7 | Very high | 104 Ų | 104 | 80 Ų | 80 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 171.7 | -64.7 | -51.5 | 144.3 | 0 | 0 | 111.8 | A172 Y173 V174 M178 K179 V180 | A172-E176 PolarHBondContact O-N 3.27Å; Y173-E176 PolarHBondContact O-N 3.34Å; V174-E176 VanDerWaalsContact C-N 3.33Å; V174-E176 PolarHBondContact O-N 3.44Å; E176-M178 VanDerWaalsContact C-N 3.32Å; E176-M178 PolarHBondContact O-N 2.93Å; E176-K179 PolarHBondContact O-N 3.01Å; E176-K179 IonicContact OE1-NZ 2.86Å; E176-K179 PolarHBondContact OE1-NZ 3.23Å; E176-K179 WeakPolarHBondContact OE2-CD 3.37Å; E176-K179 IonicContact OE2-NZ 3.75Å; E176-K179 PolarHBondContact OE2-NZ 3.48Å; E176-V180 PolarHBondContact O-N 2.78Å |
| 177 | M | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 173.2 | -70.9 | -171.5 | 178.8 | 0 | 0 | 112 | L165 Y169 Y173 V174 K179 V180 V181 L221 | L165-M177 HydrophobicContact CD1-CB 4.46Å; L165-M177 HydrophobicContact CD1-SD 4.14Å; L165-M177 HydrophobicContact CD2-SD 3.96Å; Y169-M177 HydrophobicContact CD1-CE 4.44Å; Y169-M177 HydrophobicContact CD2-CE 4.26Å; Y169-M177 HydrophobicContact CE2-CE 4.39Å; Y169-M177 HydrophobicContact CG-CE 4.3Å; Y173-M177 HydrophobicContact CD1-CE 3.79Å; Y173-M177 HydrophobicContact CE1-CE 3.2Å; Y173-M177 HydrophobicContact CE2-CE 4.41Å; Y173-M177 WeakPolarHBondContact O-CG 3.44Å; Y173-M177 PolarHBondContact O-N 3.03Å; V174-M177 WeakPolarHBondContact O-CB 3.42Å; V174-M177 PolarHBondContact O-N 3.4Å; M177-K179 VanDerWaalsContact C-N 3.32Å; M177-K179 PolarHBondContact O-N 3.25Å; M177-V180 PolarHBondContact O-N 2.91Å; M177-V180 VanDerWaalsContact O-N 3.12Å; M177-V181 WeakPolarHBondContact O-CG2 3.18Å; M177-V181 PolarHBondContact O-N 3.25Å; M177-L221 HydrophobicContact CE-CD1 3.62Å; M177-L221 HydrophobicContact SD-CD1 4.34Å |
| 178 | M | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.9 | -33.2 | -176.4 | -73.1 | -55.4 | -56.5 | 0 | 0 | 112.8 | L158 L161 R162 L165 V174 E175 E176 V180 V181 E182 | L158-M178 HydrophobicContact CD2-CE 3.56Å; L161-M178 HydrophobicContact CB-CE 4.2Å; L161-M178 HydrophobicContact CB-SD 4.1Å; L161-M178 HydrophobicContact CD1-CE 4.48Å; R162-M178 HydrophobicContact CG-CE 4.23Å; R162-M178 HydrophobicContact CG-CG 3.6Å; R162-M178 HydrophobicContact CG-SD 3.97Å; L165-M178 HydrophobicContact CD1-SD 4.05Å; V174-M178 HydrophobicContact CG1-CG 4.2Å; V174-M178 VanDerWaalsContact O-CG 3.3Å; V174-M178 WeakPolarHBondContact O-CG 3.49Å; V174-M178 PolarHBondContact O-N 2.8Å; E175-M178 PolarHBondContact O-N 3.15Å; E176-M178 VanDerWaalsContact C-N 3.32Å; E176-M178 PolarHBondContact O-N 2.93Å; M178-V180 VanDerWaalsContact C-N 3.31Å; M178-V180 PolarHBondContact O-N 3.47Å; M178-V181 HydrophobicContact CE-CB 4.47Å; M178-V181 HydrophobicContact CE-CG1 4.07Å; M178-V181 WeakPolarHBondContact O-CB 3.46Å; M178-V181 PolarHBondContact O-N 3.38Å; M178-V181 HydrophobicContact SD-CB 4.49Å; M178-V181 HydrophobicContact SD-CG1 4.49Å; M178-E182 WeakPolarHBondContact O-CB 2.93Å; M178-E182 VanDerWaalsContact O-CG 3.32Å; M178-E182 WeakPolarHBondContact O-CG 3.35Å; M178-E182 PolarHBondContact O-N 3.32Å |
| 179 | K | 96.7 | Very high | 96.2 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 171.7 | -68.1 | 171.7 | -168.6 | 167.7 | 0 | 111.4 | E175 E176 M177 N183 | E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 2.91Å; E175-K179 VanDerWaalsContact O-N 3.15Å; E176-K179 PolarHBondContact O-N 3.01Å; E176-K179 IonicContact OE1-NZ 2.86Å; E176-K179 PolarHBondContact OE1-NZ 3.23Å; E176-K179 WeakPolarHBondContact OE2-CD 3.37Å; E176-K179 IonicContact OE2-NZ 3.75Å; E176-K179 PolarHBondContact OE2-NZ 3.48Å; M177-K179 VanDerWaalsContact C-N 3.32Å; M177-K179 PolarHBondContact O-N 3.25Å; K179-N183 WeakPolarHBondContact O-CB 3.42Å; K179-N183 PolarHBondContact O-N 2.99Å; K179-N183 PolarHBondContact O-ND2 3.25Å; K179-N183 VanDerWaalsContact O-ND2 3.15Å |
| 180 | V | 95.9 | Very high | 96 | Very high | 70 Ų | 70 | 71.3 Ų | 71.3 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 111 | E176 M177 M178 N183 S184 | E176-V180 PolarHBondContact O-N 2.78Å; M177-V180 PolarHBondContact O-N 2.91Å; M177-V180 VanDerWaalsContact O-N 3.12Å; M178-V180 VanDerWaalsContact C-N 3.31Å; M178-V180 PolarHBondContact O-N 3.47Å; V180-N183 PolarHBondContact O-N 2.68Å; V180-S184 WeakPolarHBondContact O-CB 3.46Å; V180-S184 PolarHBondContact O-N 3.49Å |
| 181 | V | 96.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.8 | -50.9 | 175.6 | 165.3 | 0 | 0 | 0 | 0 | 111.6 | L161 M177 M178 N183 S184 I211 H218 I219 | L161-V181 HydrophobicContact CD1-CG1 4.26Å; M177-V181 WeakPolarHBondContact O-CG2 3.18Å; M177-V181 PolarHBondContact O-N 3.25Å; M178-V181 HydrophobicContact CE-CB 4.47Å; M178-V181 HydrophobicContact CE-CG1 4.07Å; M178-V181 WeakPolarHBondContact O-CB 3.46Å; M178-V181 PolarHBondContact O-N 3.38Å; M178-V181 HydrophobicContact SD-CB 4.49Å; M178-V181 HydrophobicContact SD-CG1 4.49Å; V181-N183 VanDerWaalsContact C-N 3.34Å; V181-N183 PolarHBondContact O-N 3.31Å; V181-S184 PolarHBondContact O-N 3.19Å; V181-S184 PolarHBondContact O-OG 3.2Å; V181-I211 HydrophobicContact CG1-CD1 4.06Å; V181-I211 HydrophobicContact CG1-CG2 3.82Å; V181-H218 HydrophobicContact CG2-CB 3.74Å; V181-I219 HydrophobicContact CG1-CG2 4.09Å; V181-I219 HydrophobicContact CG2-CG2 3.71Å |
| 182 | E | 95.5 | Very high | 95.6 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 178.5 | -70.1 | 174.8 | -154 | 0 | 0 | 111.2 | I153 L158 R162 M178 S184 C185 | I153-E182 HydrophobicContact CD1-CB 4.5Å; I153-E182 HydrophobicContact CD1-CG 4.13Å; L158-E182 HydrophobicContact CD2-CG 3.98Å; R162-E182 IonicContact CZ-OE1 3.23Å; R162-E182 IonicContact NH1-OE1 3.5Å; R162-E182 IonicContact NH2-OE1 2.81Å; R162-E182 PolarHBondContact NH2-OE1 3.22Å; M178-E182 WeakPolarHBondContact O-CB 2.93Å; M178-E182 VanDerWaalsContact O-CG 3.32Å; M178-E182 WeakPolarHBondContact O-CG 3.35Å; M178-E182 PolarHBondContact O-N 3.32Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 3.1Å; E182-C185 WeakPolarHBondContact O-CB 3.47Å; E182-C185 PolarHBondContact O-N 2.84Å |
| 183 | N | 94.5 | Very high | 95.4 | Very high | 143 Ų | 143 | 53.1 Ų | 53.1 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -69.3 | -24.7 | 177 | -72.4 | -24.9 | 0 | 0 | 0 | 114 | K179 V180 V181 C185 | K179-N183 WeakPolarHBondContact O-CB 3.42Å; K179-N183 PolarHBondContact O-N 2.99Å; K179-N183 PolarHBondContact O-ND2 3.25Å; K179-N183 VanDerWaalsContact O-ND2 3.15Å; V180-N183 PolarHBondContact O-N 2.68Å; V181-N183 VanDerWaalsContact C-N 3.34Å; V181-N183 PolarHBondContact O-N 3.31Å; N183-C185 VanDerWaalsContact C-N 3.26Å; N183-C185 PolarHBondContact O-N 3.45Å |
| 184 | S | 94 | Very high | 95.1 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 27% | 0.266 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.1 | 176.7 | 76.3 | 0 | 0 | 0 | 0 | 114 | V180 V181 E182 V186 I211 | V180-S184 WeakPolarHBondContact O-CB 3.46Å; V180-S184 PolarHBondContact O-N 3.49Å; V181-S184 PolarHBondContact O-N 3.19Å; V181-S184 PolarHBondContact O-OG 3.2Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 3.1Å; S184-V186 PolarHBondContact O-N 3.25Å; S184-I211 WeakPolarHBondContact OG-CG2 3.37Å |
| 185 | C | 95.9 | Very high | 94.7 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.9 | -175.4 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | I153 E182 N183 E210 I211 | I153-C185 HydrophobicContact CD1-CB 4Å; I153-C185 HydrophobicContact CG1-CB 4.28Å; E182-C185 WeakPolarHBondContact O-CB 3.47Å; E182-C185 PolarHBondContact O-N 2.84Å; N183-C185 VanDerWaalsContact C-N 3.26Å; N183-C185 PolarHBondContact O-N 3.45Å; C185-E210 CarbonylContact C-O 3.59Å; C185-E210 WeakPolarHBondContact CA-O 3.37Å; C185-I211 HydrophobicContact CB-CG1 4.21Å |
| 186 | V | 94.7 | Very high | 94.2 | Very high | 79 Ų | 79 | 55 Ų | 55 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.2 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | S184 F188 L209 E210 | S184-V186 PolarHBondContact O-N 3.25Å; V186-F188 HydrophobicContact CB-CE2 4.22Å; V186-F188 HydrophobicContact CG1-CD2 4.37Å; V186-F188 HydrophobicContact CG1-CE2 4.05Å; V186-L209 CarbonylContact O-C 3.46Å; V186-L209 WeakPolarHBondContact O-CA 3.19Å; V186-E210 PolarHBondContact N-O 3.05Å; V186-E210 PolarHBondContact O-N 3.45Å |
| 187 | E | 94.4 | Very high | 94 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.3 | 175 | -171.7 | 163.7 | -175.1 | 0 | 0 | 111.1 | I74 R190 R207 L208 L209 | I74-E187 HydrophobicContact CD1-CB 4.32Å; I74-E187 HydrophobicContact CD1-CG 3.78Å; I74-E187 WeakPolarHBondContact CD1-O 3.47Å; I74-E187 HydrophobicContact CG1-CG 4.34Å; E187-R190 WeakPolarHBondContact OE1-CB 3.27Å; E187-R190 IonicContact OE1-CZ 3.96Å; E187-R190 IonicContact OE1-NE 3.96Å; E187-R190 PolarHBondContact OE1-NE 3.03Å; E187-R190 IonicContact OE1-NH2 2.73Å; E187-R190 PolarHBondContact OE1-NH2 2.89Å; E187-R190 IonicContact OE2-CZ 3.16Å; E187-R190 IonicContact OE2-NE 3.87Å; E187-R190 IonicContact OE2-NH2 3.24Å; E187-R190 PolarHBondContact OE2-NH2 3.39Å; E187-R207 WeakPolarHBondContact OE1-CG 3.18Å; E187-R207 IonicContact OE1-CZ 3.21Å; E187-R207 IonicContact OE1-NE 3.7Å; E187-R207 PolarHBondContact OE1-NE 3.48Å; E187-R207 IonicContact OE1-NH2 2.73Å; E187-R207 IonicContact OE2-CZ 2.73Å; E187-R207 IonicContact OE2-NE 3.71Å; E187-R207 PolarHBondContact OE2-NE 2.98Å; E187-R207 IonicContact OE2-NH2 2.94Å; E187-R207 PolarHBondContact OE2-NH2 3.04Å; E187-L208 CarbonylContact C-O 3.59Å; E187-L209 HydrophobicContact CB-CD2 3.63Å; E187-L209 HydrophobicContact CG-CD2 3.62Å |
| 188 | F | 92.1 | Very high | 93.9 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -29.6 | -178.2 | -82.5 | -92.2 | 0 | 0 | 0 | 113.3 | M116 V186 L208 E210 T277 Y280 | M116-F188 HydrophobicContact CE-CD2 4.08Å; M116-F188 HydrophobicContact CE-CE2 4.44Å; M116-F188 HydrophobicContact CE-CG 4.45Å; V186-F188 HydrophobicContact CB-CE2 4.22Å; V186-F188 HydrophobicContact CG1-CD2 4.37Å; V186-F188 HydrophobicContact CG1-CE2 4.05Å; F188-L208 HydrophobicContact CB-CD2 4.14Å; F188-L208 HydrophobicContact CB-CG 4.3Å; F188-L208 PolarHBondContact N-O 2.92Å; F188-E210 HydrophobicContact CD2-CB 3.78Å; F188-E210 HydrophobicContact CE2-CB 3.38Å; F188-E210 HydrophobicContact CE2-CG 4.21Å; F188-E210 WeakPolarHBondContact CE2-OE2 3.46Å; F188-E210 HydrophobicContact CZ-CB 4.44Å; F188-E210 WeakPolarHBondContact CZ-OE2 3.4Å; F188-T277 HydrophobicContact CE1-CG2 4.42Å; F188-T277 HydrophobicContact CZ-CG2 4.14Å; F188-Y280 HydrophobicContact CB-CD2 3.88Å; F188-Y280 HydrophobicContact CB-CE2 3.97Å; F188-Y280 AromaticContact CD1-CD2 3.86Å; F188-Y280 HydrophobicContact CD1-CD2 3.86Å; F188-Y280 HydrophobicContact CD1-CE2 4.35Å; F188-Y280 HydrophobicContact CD1-CG 4.28Å; F188-Y280 HydrophobicContact CG-CD2 4.11Å |
| 189 | Y | 91.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 31% | 0.306 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 144.6 | -178.7 | 178.8 | -88.1 | 0 | 0 | 0 | 111.3 | Y192 M206 R207 L208 | Y189-Y192 PolarHBondContact OH-O 3.27Å; Y189-M206 HydrophobicContact CD1-CE 3.3Å; Y189-M206 HydrophobicContact CE1-CB 4.46Å; Y189-M206 HydrophobicContact CE1-CE 3.67Å; Y189-M206 HydrophobicContact CG-CE 4.09Å; Y189-R207 CarbonylContact O-C 3.59Å; Y189-R207 WeakPolarHBondContact O-CA 3.49Å; Y189-L208 PolarHBondContact N-O 3.26Å; Y189-L208 PolarHBondContact O-N 3.01Å |
| 190 | R | 94.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 18% | 0.181 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 128.6 | 172.4 | -174 | -178.5 | -64.9 | -179.4 | 5 | 110 | M71 P72 I74 E187 M206 R207 | M71-R190 HydrophobicContact CB-CG 3.66Å; M71-R190 HydrophobicContact CG-CG 4.24Å; M71-R190 HydrophobicContact SD-CG 4.42Å; P72-R190 WeakPolarHBondContact O-CD 3.26Å; P72-R190 WeakPolarHBondContact O-CG 3.45Å; I74-R190 HydrophobicContact CD1-CB 4.38Å; I74-R190 HydrophobicContact CG1-CB 3.7Å; E187-R190 WeakPolarHBondContact OE1-CB 3.27Å; E187-R190 IonicContact OE1-CZ 3.96Å; E187-R190 IonicContact OE1-NE 3.96Å; E187-R190 PolarHBondContact OE1-NE 3.03Å; E187-R190 IonicContact OE1-NH2 2.73Å; E187-R190 PolarHBondContact OE1-NH2 2.89Å; E187-R190 IonicContact OE2-CZ 3.16Å; E187-R190 IonicContact OE2-NE 3.87Å; E187-R190 IonicContact OE2-NH2 3.24Å; E187-R190 PolarHBondContact OE2-NH2 3.39Å; R190-M206 CarbonylContact C-O 3.48Å; R190-M206 VanDerWaalsContact CA-O 3.29Å; R190-M206 WeakPolarHBondContact CA-O 3.21Å; R190-R207 HydrophobicContact CG-CG 4.21Å |
| 191 | G | 94.1 | Very high | 94 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.3 | -165.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F193 E205 M206 | G191-F193 PolarHBondContact O-N 2.76Å; G191-E205 WeakPolarHBondContact CA-OE2 3.39Å; G191-E205 CarbonylContact O-C 3.55Å; G191-M206 PolarHBondContact N-O 3.19Å; G191-M206 PolarHBondContact O-N 3.28Å |
| 192 | Y | 94.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 11% | 0.114 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 126.7 | -175.5 | -177.5 | -81.6 | 0 | 0 | 0 | 112.9 | N91 P92 K93 Y189 N198 W203 E205 | N91-Y192 PolarHBondContact ND2-OH 2.92Å; N91-Y192 VanDerWaalsContact OD1-CE2 3.29Å; N91-Y192 WeakPolarHBondContact OD1-CE2 3.43Å; P92-Y192 HydrophobicContact CG-CD2 3.84Å; P92-Y192 HydrophobicContact CG-CE2 4.17Å; K93-Y192 HydrophobicContact CB-CE1 4.26Å; K93-Y192 HydrophobicContact CB-CE2 4.14Å; K93-Y192 HydrophobicContact CD-CD1 4.41Å; K93-Y192 HydrophobicContact CG-CD1 3.65Å; K93-Y192 HydrophobicContact CG-CD2 3.82Å; K93-Y192 HydrophobicContact CG-CE1 3.45Å; K93-Y192 VanDerWaalsContact CG-CE1 3.45Å; K93-Y192 HydrophobicContact CG-CE2 3.59Å; K93-Y192 HydrophobicContact CG-CG 3.84Å; K93-Y192 VanDerWaalsContact CG-CZ 3.41Å; Y189-Y192 PolarHBondContact OH-O 3.27Å; Y192-N198 PolarHBondContact OH-ND2 2.95Å; Y192-W203 HydrophobicContact CD2-CB 4.41Å; Y192-W203 AromaticContact CD2-CD1 3.54Å; Y192-W203 HydrophobicContact CD2-CG 4.09Å; Y192-W203 HydrophobicContact CE2-CB 3.68Å; Y192-W203 AromaticContact CE2-CD1 3.68Å; Y192-W203 AromaticContact CE2-CG 3.75Å; Y192-W203 HydrophobicContact CE2-CG 3.75Å; Y192-E205 WeakPolarHBondContact CA-OE2 3.43Å; Y192-E205 PolarHBondContact N-OE2 3.43Å |
| 193 | F | 93.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.2 | 177.6 | -175.3 | -115.1 | 0 | 0 | 0 | 110.8 | Y114 G191 D195 N198 I204 M206 M283 T287 | Y114-F193 HydrophobicContact CE2-CZ 4.35Å; G191-F193 PolarHBondContact O-N 2.76Å; F193-D195 HydrophobicContact CD1-CB 3.95Å; F193-D195 HydrophobicContact CE1-CB 4.12Å; F193-D195 PolarHBondContact O-N 2.76Å; F193-N198 PolarHBondContact O-ND2 3.32Å; F193-I204 HydrophobicContact CB-CB 4.17Å; F193-I204 HydrophobicContact CB-CG2 3.88Å; F193-I204 HydrophobicContact CD1-CB 4.25Å; F193-I204 HydrophobicContact CD1-CD1 4.43Å; F193-I204 HydrophobicContact CD1-CG2 3.93Å; F193-I204 HydrophobicContact CG-CG2 4.34Å; F193-I204 PolarHBondContact N-O 2.92Å; F193-M206 HydrophobicContact CB-CB 3.6Å; F193-M206 HydrophobicContact CD2-CB 4.13Å; F193-M206 HydrophobicContact CD2-CE 3.61Å; F193-M206 HydrophobicContact CD2-CG 4.41Å; F193-M206 HydrophobicContact CD2-SD 3.4Å; F193-M206 WeakPolarHBondContact CD2-SD 3.16Å; F193-M206 HydrophobicContact CE2-CE 3.95Å; F193-M206 HydrophobicContact CE2-SD 3.52Å; F193-M206 VanDerWaalsContact CE2-SD 3.52Å; F193-M206 HydrophobicContact CG-CB 3.96Å; F193-M206 HydrophobicContact CG-SD 4.05Å; F193-M206 HydrophobicContact CZ-SD 4.29Å; F193-M283 HydrophobicContact CE2-CE 3.77Å; F193-M283 HydrophobicContact CZ-CE 4.09Å; F193-T287 HydrophobicContact CD2-CG2 4.28Å; F193-T287 HydrophobicContact CE2-CG2 3.45Å; F193-T287 VanDerWaalsContact CE2-CG2 3.45Å; F193-T287 HydrophobicContact CZ-CG2 4.26Å |
| 194 | T | 89.9 | Confident | 94.4 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | trans | -76 | 116.6 | 175.9 | -55.2 | 0 | 0 | 0 | 0 | 109.6 | V291 I294 | T194-V291 HydrophobicContact CG2-CG2 3.8Å; T194-I294 HydrophobicContact CG2-CD1 4.09Å | ||
| 195 | D | 90.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | trans | -141.5 | 147.8 | -177.5 | -166.9 | -72.5 | 0 | 0 | 0 | 110 | F193 R197 N198 I204 | F193-D195 HydrophobicContact CD1-CB 3.95Å; F193-D195 HydrophobicContact CE1-CB 4.12Å; F193-D195 PolarHBondContact O-N 2.76Å; D195-R197 PolarHBondContact O-N 2.83Å; D195-R197 VanDerWaalsContact OD1-CB 3.27Å; D195-R197 WeakPolarHBondContact OD1-CB 3.48Å; D195-R197 WeakPolarHBondContact OD1-CG 3.28Å; D195-R197 IonicContact OD1-CZ 3.55Å; D195-R197 PolarHBondContact OD1-N 3.32Å; D195-R197 IonicContact OD1-NE 3.36Å; D195-R197 PolarHBondContact OD1-NE 3.1Å; D195-R197 IonicContact OD1-NH2 3.59Å; D195-R197 IonicContact OD2-CZ 3.72Å; D195-R197 IonicContact OD2-NE 2.77Å; D195-R197 PolarHBondContact OD2-NE 3.1Å; D195-R197 IonicContact OD2-NH2 3.51Å; D195-R197 PolarHBondContact OD2-NH2 3.28Å; D195-N198 PolarHBondContact N-ND2 2.87Å; D195-N198 WeakPolarHBondContact O-CB 2.96Å; D195-N198 PolarHBondContact O-N 2.94Å; D195-N198 VanDerWaalsContact O-N 3.13Å; D195-I204 HydrophobicContact CB-CD1 3.68Å; D195-I204 HydrophobicContact CB-CG1 4.41Å | ||
| 196 | Q | 87.9 | Confident | 94.5 | Very high | 149 Ų | 149 | 32.3 Ų | 32.3 | 70% | 0.696 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.2 | 178.6 | 69.1 | -177.4 | 5.5 | 0 | 0 | 113.5 | R13 N198 | R13-Q196 PolarHBondContact NH2-O 3.06Å; Q196-N198 VanDerWaalsContact C-N 3.32Å |
| 197 | R | 92.4 | Very high | 94.6 | Very high | 73 Ų | 73 | 29.1 Ų | 29.1 | 28% | 0.275 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.1 | 175.2 | -64.5 | 169.4 | -70.6 | -176.8 | -1.4 | 112.9 | L104 D195 T199 I204 | L104-R197 HydrophobicContact CD2-CB 4.07Å; L104-R197 HydrophobicContact CG-CB 4.18Å; D195-R197 PolarHBondContact O-N 2.83Å; D195-R197 VanDerWaalsContact OD1-CB 3.27Å; D195-R197 WeakPolarHBondContact OD1-CB 3.48Å; D195-R197 WeakPolarHBondContact OD1-CG 3.28Å; D195-R197 IonicContact OD1-CZ 3.55Å; D195-R197 PolarHBondContact OD1-N 3.32Å; D195-R197 IonicContact OD1-NE 3.36Å; D195-R197 PolarHBondContact OD1-NE 3.1Å; D195-R197 IonicContact OD1-NH2 3.59Å; D195-R197 IonicContact OD2-CZ 3.72Å; D195-R197 IonicContact OD2-NE 2.77Å; D195-R197 PolarHBondContact OD2-NE 3.1Å; D195-R197 IonicContact OD2-NH2 3.51Å; D195-R197 PolarHBondContact OD2-NH2 3.28Å; R197-T199 PolarHBondContact O-N 3.17Å; R197-I204 VanDerWaalsContact NH2-CD1 3.34Å |
| 198 | N | 95.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | -66.4 | 132 | 179.7 | -64.5 | -11.7 | 0 | 0 | 0 | 110.4 | R13 Y192 F193 D195 Q196 A202 W203 I204 | R13-N198 PolarHBondContact NH1-O 3.07Å; R13-N198 PolarHBondContact NH2-O 2.87Å; Y192-N198 PolarHBondContact OH-ND2 2.95Å; F193-N198 PolarHBondContact O-ND2 3.32Å; D195-N198 PolarHBondContact N-ND2 2.87Å; D195-N198 WeakPolarHBondContact O-CB 2.96Å; D195-N198 PolarHBondContact O-N 2.94Å; D195-N198 VanDerWaalsContact O-N 3.13Å; Q196-N198 VanDerWaalsContact C-N 3.32Å; N198-A202 CarbonylContact C-O 3.48Å; N198-A202 WeakPolarHBondContact CA-O 3.43Å; N198-W203 HydrophobicContact CB-CB 4.21Å; N198-W203 WeakPolarHBondContact OD1-CA 3.31Å; N198-I204 PolarHBondContact OD1-N 2.72Å | ||
| 199 | T | 96.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | trans | -114.2 | -174.5 | 175.7 | 71.8 | 0 | 0 | 0 | 0 | 109.7 | N91 T96 I98 G100 R197 N201 A202 | N91-T199 WeakPolarHBondContact CB-O 3.48Å; N91-T199 PolarHBondContact ND2-O 3.1Å; T96-T199 VanDerWaalsContact CG2-O 3.3Å; T96-T199 WeakPolarHBondContact CG2-O 3.25Å; T96-T199 VanDerWaalsContact OG1-CA 3.28Å; T96-T199 WeakPolarHBondContact OG1-CA 3.45Å; I98-T199 HydrophobicContact CG2-CG2 3.81Å; G100-T199 VanDerWaalsContact O-CB 3.31Å; G100-T199 WeakPolarHBondContact O-CB 3.47Å; G100-T199 PolarHBondContact O-OG1 3.11Å; R197-T199 PolarHBondContact O-N 3.17Å; T199-N201 PolarHBondContact O-N 2.86Å; T199-N201 PolarHBondContact OG1-N 3.12Å; T199-N201 VanDerWaalsContact OG1-N 3.08Å; T199-A202 PolarHBondContact N-O 2.95Å; T199-A202 PolarHBondContact OG1-N 3.4Å; T199-A202 PolarHBondContact OG1-O 3.12Å | ||
| 200 | D | 97.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -65.6 | -23.8 | 171.2 | -69.5 | -0.7 | 0 | 0 | 0 | 112.6 | W23 Y30 L90 N91 T96 I98 | W23-D200 HydrophobicContact CH2-CB 3.73Å; W23-D200 HydrophobicContact CZ2-CB 3.98Å; Y30-D200 WeakPolarHBondContact CE1-OD2 3.44Å; Y30-D200 VanDerWaalsContact CZ-OD2 3.25Å; Y30-D200 PolarHBondContact OH-OD1 2.91Å; Y30-D200 VanDerWaalsContact OH-OD1 3.07Å; Y30-D200 PolarHBondContact OH-OD2 2.89Å; L90-D200 CarbonylContact C-O 3.45Å; L90-D200 WeakPolarHBondContact CA-O 3.31Å; N91-D200 WeakPolarHBondContact CB-O 3.21Å; N91-D200 PolarHBondContact N-O 3.41Å; T96-D200 WeakPolarHBondContact CA-OD1 3.17Å; T96-D200 WeakPolarHBondContact CB-OD1 3.31Å; T96-D200 PolarHBondContact N-OD1 3.3Å; T96-D200 PolarHBondContact OG1-N 2.87Å; T96-D200 VanDerWaalsContact OG1-N 3.07Å; T96-D200 PolarHBondContact OG1-OD1 2.87Å; I98-D200 WeakPolarHBondContact O-CB 3.48Å; I98-D200 PolarHBondContact O-N 2.85Å |
| 201 | N | 98.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 18.8 Ų | 18.8 | 5% | 0.048 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -123.3 | -1.1 | -171.9 | -48.5 | 119.2 | 0 | 0 | 0 | 114.6 | P89 G100 W107 G108 T199 | P89-N201 WeakPolarHBondContact CG-O 3.3Å; P89-N201 VanDerWaalsContact O-CA 3.26Å; P89-N201 WeakPolarHBondContact O-CA 3.35Å; P89-N201 WeakPolarHBondContact O-CB 3.44Å; P89-N201 PolarHBondContact O-ND2 3.34Å; G100-N201 PolarHBondContact N-OD1 2.94Å; W107-N201 HydrophobicContact CE3-CB 3.72Å; W107-N201 HydrophobicContact CZ3-CB 3.64Å; G108-N201 PolarHBondContact N-O 2.88Å; T199-N201 PolarHBondContact O-N 2.86Å; T199-N201 PolarHBondContact OG1-N 3.12Å; T199-N201 VanDerWaalsContact OG1-N 3.08Å |
| 202 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 137.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R101 L104 R106 G108 N198 T199 | R101-A202 HydrophobicContact CG-CB 4.17Å; R101-A202 WeakPolarHBondContact O-CB 3.27Å; L104-A202 HydrophobicContact CB-CB 4.13Å; L104-A202 HydrophobicContact CD1-CB 3.79Å; R106-A202 WeakPolarHBondContact O-CB 3.3Å; G108-A202 CarbonylContact O-C 3.57Å; G108-A202 VanDerWaalsContact O-CA 3.28Å; G108-A202 WeakPolarHBondContact O-CA 3.38Å; N198-A202 CarbonylContact C-O 3.48Å; N198-A202 WeakPolarHBondContact CA-O 3.43Å; T199-A202 PolarHBondContact N-O 2.95Å; T199-A202 PolarHBondContact OG1-N 3.4Å; T199-A202 PolarHBondContact OG1-O 3.12Å |
| 203 | W | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 164.4 | 179.9 | 64.1 | 91.2 | 0 | 0 | 0 | 111.6 | R70 Y82 P89 N91 P92 G108 P109 N110 Y192 N198 E205 | R70-W203 HydrophobicContact CG-CZ2 4.41Å; Y82-W203 AromaticContact CD1-CH2 3.6Å; Y82-W203 HydrophobicContact CD1-CH2 3.6Å; Y82-W203 AromaticContact CD1-CZ2 3.47Å; Y82-W203 HydrophobicContact CD1-CZ2 3.47Å; Y82-W203 VanDerWaalsContact CD1-CZ2 3.47Å; Y82-W203 AromaticContact CD2-CH2 3.79Å; Y82-W203 HydrophobicContact CD2-CH2 3.79Å; Y82-W203 HydrophobicContact CD2-CZ2 4.5Å; Y82-W203 HydrophobicContact CE1-CH2 4.02Å; Y82-W203 AromaticContact CE1-CZ2 3.92Å; Y82-W203 HydrophobicContact CE1-CZ2 3.92Å; Y82-W203 HydrophobicContact CE2-CH2 4.19Å; Y82-W203 AromaticContact CG-CH2 3.47Å; Y82-W203 HydrophobicContact CG-CH2 3.47Å; Y82-W203 VanDerWaalsContact CG-CH2 3.47Å; Y82-W203 AromaticContact CG-CZ2 3.8Å; Y82-W203 HydrophobicContact CG-CZ2 3.8Å; P89-W203 HydrophobicContact CB-CH2 4.24Å; P89-W203 HydrophobicContact CB-CZ3 4.2Å; N91-W203 HydrophobicContact CB-CE3 4Å; P92-W203 VanDerWaalsContact CD-CD2 3.42Å; P92-W203 HydrophobicContact CG-CD2 4.27Å; P92-W203 HydrophobicContact CG-CZ2 4.12Å; G108-W203 PolarHBondContact O-N 3.41Å; P109-W203 CarbonylContact C-O 3.54Å; P109-W203 WeakPolarHBondContact CA-O 3.43Å; P109-W203 HydrophobicContact CB-CZ2 4.26Å; P109-W203 HydrophobicContact CG-CZ2 4.45Å; N110-W203 PolarHBondContact N-O 3.17Å; Y192-W203 HydrophobicContact CD2-CB 4.41Å; Y192-W203 AromaticContact CD2-CD1 3.54Å; Y192-W203 HydrophobicContact CD2-CG 4.09Å; Y192-W203 HydrophobicContact CE2-CB 3.68Å; Y192-W203 AromaticContact CE2-CD1 3.68Å; Y192-W203 AromaticContact CE2-CG 3.75Å; Y192-W203 HydrophobicContact CE2-CG 3.75Å; N198-W203 HydrophobicContact CB-CB 4.21Å; N198-W203 WeakPolarHBondContact OD1-CA 3.31Å; W203-E205 PolarHBondContact NE1-OE1 3.25Å |
| 204 | I | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.3 | 178.1 | -58.1 | 179.4 | 0 | 0 | 0 | 110.9 | L104 N110 L112 F144 F193 D195 R197 N198 | L104-I204 HydrophobicContact CD1-CG1 4.27Å; L104-I204 HydrophobicContact CD2-CD1 4.18Å; L104-I204 HydrophobicContact CD2-CG1 3.99Å; N110-I204 VanDerWaalsContact O-CA 3.31Å; N110-I204 WeakPolarHBondContact O-CA 3.29Å; L112-I204 HydrophobicContact CB-CG2 3.55Å; L112-I204 HydrophobicContact CD2-CD1 4.43Å; L112-I204 HydrophobicContact CD2-CG2 4.06Å; L112-I204 HydrophobicContact CG-CG2 4.47Å; F144-I204 HydrophobicContact CE1-CD1 4.2Å; F144-I204 HydrophobicContact CE1-CG1 4.21Å; F144-I204 HydrophobicContact CZ-CD1 3.89Å; F144-I204 HydrophobicContact CZ-CG1 4.37Å; F193-I204 HydrophobicContact CB-CB 4.17Å; F193-I204 HydrophobicContact CB-CG2 3.88Å; F193-I204 HydrophobicContact CD1-CB 4.25Å; F193-I204 HydrophobicContact CD1-CD1 4.43Å; F193-I204 HydrophobicContact CD1-CG2 3.93Å; F193-I204 HydrophobicContact CG-CG2 4.34Å; F193-I204 PolarHBondContact N-O 2.92Å; D195-I204 HydrophobicContact CB-CD1 3.68Å; D195-I204 HydrophobicContact CB-CG1 4.41Å; R197-I204 VanDerWaalsContact NH2-CD1 3.34Å; N198-I204 PolarHBondContact OD1-N 2.72Å |
| 205 | E | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.9 | 164.7 | -66.7 | -78.4 | 171.4 | 0 | 0 | 107.4 | R70 M71 P109 N110 H111 L112 G191 Y192 W203 | R70-E205 IonicContact NE-OE1 2.78Å; R70-E205 PolarHBondContact NE-OE1 3.06Å; R70-E205 IonicContact NH2-OE1 3.64Å; M71-E205 HydrophobicContact CB-CB 4.28Å; M71-E205 HydrophobicContact CG-CB 3.91Å; M71-E205 PolarHBondContact N-OE2 3.45Å; P109-E205 HydrophobicContact CB-CG 3.73Å; N110-E205 PolarHBondContact O-N 3.04Å; H111-E205 WeakPolarHBondContact CA-O 3.44Å; H111-E205 WeakPolarHBondContact ND1-CB 3.08Å; L112-E205 PolarHBondContact N-O 3.35Å; G191-E205 WeakPolarHBondContact CA-OE2 3.39Å; G191-E205 CarbonylContact O-C 3.55Å; Y192-E205 WeakPolarHBondContact CA-OE2 3.43Å; Y192-E205 PolarHBondContact N-OE2 3.43Å; W203-E205 PolarHBondContact NE1-OE1 3.25Å |
| 206 | M | 95.7 | Very high | 96 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.03 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 142.6 | -172.4 | 176.9 | -178.3 | 74.7 | 0 | 0 | 112.7 | L112 Y114 Y189 R190 G191 F193 L208 M283 | L112-M206 CarbonylContact O-C 3.53Å; L112-M206 WeakPolarHBondContact O-CA 3.22Å; Y114-M206 HydrophobicContact CD2-CG 3.9Å; Y114-M206 HydrophobicContact CD2-SD 3.49Å; Y114-M206 WeakPolarHBondContact CD2-SD 3.16Å; Y114-M206 HydrophobicContact CE2-SD 3.95Å; Y114-M206 HydrophobicContact CG-SD 4.37Å; Y189-M206 HydrophobicContact CD1-CE 3.3Å; Y189-M206 HydrophobicContact CE1-CB 4.46Å; Y189-M206 HydrophobicContact CE1-CE 3.67Å; Y189-M206 HydrophobicContact CG-CE 4.09Å; R190-M206 CarbonylContact C-O 3.48Å; R190-M206 VanDerWaalsContact CA-O 3.29Å; R190-M206 WeakPolarHBondContact CA-O 3.21Å; G191-M206 PolarHBondContact N-O 3.19Å; G191-M206 PolarHBondContact O-N 3.28Å; F193-M206 HydrophobicContact CB-CB 3.6Å; F193-M206 HydrophobicContact CD2-CB 4.13Å; F193-M206 HydrophobicContact CD2-CE 3.61Å; F193-M206 HydrophobicContact CD2-CG 4.41Å; F193-M206 HydrophobicContact CD2-SD 3.4Å; F193-M206 WeakPolarHBondContact CD2-SD 3.16Å; F193-M206 HydrophobicContact CE2-CE 3.95Å; F193-M206 HydrophobicContact CE2-SD 3.52Å; F193-M206 VanDerWaalsContact CE2-SD 3.52Å; F193-M206 HydrophobicContact CG-CB 3.96Å; F193-M206 HydrophobicContact CG-SD 4.05Å; F193-M206 HydrophobicContact CZ-SD 4.29Å; M206-L208 HydrophobicContact CE-CB 4.38Å; M206-M283 HydrophobicContact CE-CE 4.16Å; M206-M283 HydrophobicContact SD-CE 3.55Å; M206-M283 VanDerWaalsContact SD-CE 3.55Å |
| 207 | R | 96.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 25.5 Ų | 25.5 | 5% | 0.045 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.7 | 156.9 | -62.3 | -178.7 | 65 | -139.1 | -4.3 | 109.3 | L112 V113 Y114 P148 P152 E187 Y189 R190 | L112-R207 PolarHBondContact O-N 3.32Å; V113-R207 WeakPolarHBondContact CA-O 3.42Å; V113-R207 HydrophobicContact CG1-CB 4.22Å; V113-R207 HydrophobicContact CG2-CB 4.21Å; Y114-R207 PolarHBondContact N-O 3.31Å; P148-R207 PolarHBondContact O-NH1 2.79Å; P152-R207 PolarHBondContact O-NH1 3.04Å; E187-R207 WeakPolarHBondContact OE1-CG 3.18Å; E187-R207 IonicContact OE1-CZ 3.21Å; E187-R207 IonicContact OE1-NE 3.7Å; E187-R207 PolarHBondContact OE1-NE 3.48Å; E187-R207 IonicContact OE1-NH2 2.73Å; E187-R207 IonicContact OE2-CZ 2.73Å; E187-R207 IonicContact OE2-NE 3.71Å; E187-R207 PolarHBondContact OE2-NE 2.98Å; E187-R207 IonicContact OE2-NH2 2.94Å; E187-R207 PolarHBondContact OE2-NH2 3.04Å; Y189-R207 CarbonylContact O-C 3.59Å; Y189-R207 WeakPolarHBondContact O-CA 3.49Å; R190-R207 HydrophobicContact CG-CG 4.21Å |
| 208 | L | 95.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.4 | 174.6 | -179.8 | 64.4 | 0 | 0 | 0 | 109.1 | M116 E187 F188 Y189 M206 Y280 M283 | M116-L208 HydrophobicContact CE-CD1 4.28Å; M116-L208 HydrophobicContact CE-CD2 4.32Å; M116-L208 HydrophobicContact CE-CG 4.19Å; M116-L208 HydrophobicContact CG-CD1 3.97Å; M116-L208 HydrophobicContact SD-CD1 4.12Å; E187-L208 CarbonylContact C-O 3.59Å; F188-L208 HydrophobicContact CB-CD2 4.14Å; F188-L208 HydrophobicContact CB-CG 4.3Å; F188-L208 PolarHBondContact N-O 2.92Å; Y189-L208 PolarHBondContact N-O 3.26Å; Y189-L208 PolarHBondContact O-N 3.01Å; M206-L208 HydrophobicContact CE-CB 4.38Å; L208-Y280 HydrophobicContact CD2-CD2 3.78Å; L208-Y280 HydrophobicContact CD2-CE2 4Å; L208-M283 HydrophobicContact CD1-CG 4.12Å; L208-M283 HydrophobicContact CD2-CB 4.23Å; L208-M283 HydrophobicContact CD2-CG 3.84Å |
| 209 | L | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 153.8 | -178.2 | -49.1 | 178 | 0 | 0 | 0 | 110.1 | V113 Y114 V115 M116 P152 V186 E187 | V113-L209 HydrophobicContact CG1-CD1 3.57Å; V113-L209 HydrophobicContact CG1-CG 4.08Å; Y114-L209 PolarHBondContact O-N 3.35Å; V115-L209 HydrophobicContact CG2-CB 4.45Å; V115-L209 HydrophobicContact CG2-CD1 4.25Å; M116-L209 WeakPolarHBondContact CB-O 3.19Å; M116-L209 PolarHBondContact N-O 3.19Å; P152-L209 WeakPolarHBondContact O-CD1 3.25Å; V186-L209 CarbonylContact O-C 3.46Å; V186-L209 WeakPolarHBondContact O-CA 3.19Å; E187-L209 HydrophobicContact CB-CD2 3.63Å; E187-L209 HydrophobicContact CG-CD2 3.62Å |
| 210 | E | 96.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.9 | 166.6 | -165.4 | 174.2 | -128.7 | 0 | 0 | 109.4 | M116 R124 C185 V186 F188 T277 | M116-E210 HydrophobicContact CB-CB 4.28Å; M116-E210 HydrophobicContact CB-CG 4.04Å; M116-E210 HydrophobicContact CE-CB 3.88Å; M116-E210 HydrophobicContact CE-CG 4.14Å; M116-E210 CarbonylContact O-C 3.58Å; M116-E210 VanDerWaalsContact O-CA 3.26Å; M116-E210 WeakPolarHBondContact O-CA 3.33Å; R124-E210 IonicContact CZ-OE1 3.91Å; R124-E210 IonicContact NH2-OE1 3.35Å; R124-E210 PolarHBondContact NH2-OE1 3.01Å; R124-E210 IonicContact NH2-OE2 2.94Å; R124-E210 PolarHBondContact NH2-OE2 2.55Å; C185-E210 CarbonylContact C-O 3.59Å; C185-E210 WeakPolarHBondContact CA-O 3.37Å; V186-E210 PolarHBondContact N-O 3.05Å; V186-E210 PolarHBondContact O-N 3.45Å; F188-E210 HydrophobicContact CD2-CB 3.78Å; F188-E210 HydrophobicContact CE2-CB 3.38Å; F188-E210 HydrophobicContact CE2-CG 4.21Å; F188-E210 WeakPolarHBondContact CE2-OE2 3.46Å; F188-E210 HydrophobicContact CZ-CB 4.44Å; F188-E210 WeakPolarHBondContact CZ-OE2 3.4Å; E210-T277 PolarHBondContact OE1-OG1 3.5Å |
| 211 | I | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.5 | 165.2 | -59.4 | 174.4 | 0 | 0 | 0 | 105.7 | V115 M116 L117 S118 I153 L161 V181 S184 C185 I219 | V115-I211 HydrophobicContact CG1-CD1 3.85Å; V115-I211 HydrophobicContact CG1-CG1 4.08Å; M116-I211 PolarHBondContact O-N 3.01Å; L117-I211 HydrophobicContact CD2-CB 4Å; L117-I211 HydrophobicContact CD2-CD1 3.89Å; L117-I211 HydrophobicContact CD2-CG1 4.34Å; S118-I211 PolarHBondContact N-O 3.45Å; I153-I211 HydrophobicContact CD1-CD1 3.56Å; I153-I211 HydrophobicContact CD1-CG1 4.25Å; I153-I211 HydrophobicContact CG1-CD1 4.15Å; I153-I211 HydrophobicContact CG2-CD1 4.37Å; L161-I211 HydrophobicContact CD1-CD1 4.42Å; V181-I211 HydrophobicContact CG1-CD1 4.06Å; V181-I211 HydrophobicContact CG1-CG2 3.82Å; S184-I211 WeakPolarHBondContact OG-CG2 3.37Å; C185-I211 HydrophobicContact CB-CG1 4.21Å; I211-I219 HydrophobicContact CB-CD1 4.19Å; I211-I219 HydrophobicContact CG2-CD1 3.64Å; I211-I219 HydrophobicContact CG2-CG1 4.37Å |
| 212 | N | 95 | Very high | 96.5 | Very high | 51 Ų | 51 | 25.6 Ų | 25.6 | 27% | 0.273 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.4 | -174.3 | -179.2 | 31.8 | 0 | 0 | 0 | 111 | S118 R124 P214 | S118-N212 PolarHBondContact OG-OD1 2.76Å; S118-N212 VanDerWaalsContact OG-OD1 3.11Å; R124-N212 VanDerWaalsContact NH2-CG 3.34Å; R124-N212 PolarHBondContact NH2-OD1 3.29Å; N212-P214 VanDerWaalsContact C-CD 3.48Å; N212-P214 VanDerWaalsContact O-CD 3.25Å; N212-P214 WeakPolarHBondContact O-CD 3.49Å |
| 213 | D | 96.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 76.8 | 174.2 | -180 | 17.1 | 0 | 0 | 0 | 110.6 | S118 R119 G120 K215 Y216 E217 H218 I219 G220 | S118-D213 PolarHBondContact O-N 3.47Å; R119-D213 VanDerWaalsContact CA-O 3.27Å; R119-D213 WeakPolarHBondContact CA-O 3.45Å; R119-D213 WeakPolarHBondContact CB-O 3.46Å; G120-D213 PolarHBondContact N-O 3.14Å; D213-K215 PolarHBondContact O-N 2.76Å; D213-K215 VanDerWaalsContact O-N 3.12Å; D213-Y216 PolarHBondContact O-N 2.81Å; D213-Y216 PolarHBondContact OD1-N 2.98Å; D213-E217 PolarHBondContact OD1-N 3.43Å; D213-E217 PolarHBondContact OD2-N 3.24Å; D213-E217 VanDerWaalsContact OD2-N 3.09Å; D213-H218 IonicContact OD1-ND1 3.21Å; D213-H218 WeakPolarHBondContact OD2-CA 3.34Å; D213-H218 PolarHBondContact OD2-N 3.1Å; D213-I219 HydrophobicContact CB-CD1 4.32Å; D213-I219 HydrophobicContact CB-CG1 3.56Å; D213-I219 PolarHBondContact OD2-N 2.93Å; D213-G220 WeakPolarHBondContact OD2-CA 3.29Å; D213-G220 PolarHBondContact OD2-N 3.15Å |
| 214 | P | 95.2 | Very high | 96.3 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 27% | 0.266 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -9.8 | -170.2 | 30.2 | -37.2 | 0 | 0 | 0 | 114 | K121 N212 | K121-P214 HydrophobicContact CD-CB 4.36Å; K121-P214 HydrophobicContact CG-CB 3.8Å; N212-P214 VanDerWaalsContact C-CD 3.48Å; N212-P214 VanDerWaalsContact O-CD 3.25Å; N212-P214 WeakPolarHBondContact O-CD 3.49Å |
| 215 | K | 95.8 | Very high | 96.1 | Very high | 137 Ų | 137 | 33.9 Ų | 33.9 | 60% | 0.596 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | -0.3 | -177.7 | -66.2 | -175.9 | -178.3 | 177.7 | 0 | 113.8 | D213 E217 | D213-K215 PolarHBondContact O-N 2.76Å; D213-K215 VanDerWaalsContact O-N 3.12Å; K215-E217 VanDerWaalsContact C-N 3.33Å; K215-E217 HydrophobicContact CB-CG 3.8Å; K215-E217 VanDerWaalsContact CD-OE1 3.31Å; K215-E217 WeakPolarHBondContact CD-OE1 3.48Å |
| 216 | Y | 95.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 35.8 Ų | 35.8 | 31% | 0.314 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 60.8 | 39.2 | -176.8 | -54.8 | -103.8 | 0 | 0 | 0 | 112.7 | R119 G120 E125 D213 L221 | R119-Y216 HydrophobicContact CB-CD1 4.17Å; R119-Y216 HydrophobicContact CB-CE1 4.01Å; R119-Y216 HydrophobicContact CG-CD1 4.02Å; R119-Y216 HydrophobicContact CG-CE1 3.5Å; R119-Y216 VanDerWaalsContact CG-CE1 3.5Å; G120-Y216 WeakPolarHBondContact CA-OH 3.33Å; E125-Y216 PolarHBondContact OE1-OH 2.76Å; D213-Y216 PolarHBondContact O-N 2.81Å; D213-Y216 PolarHBondContact OD1-N 2.98Å; Y216-L221 WeakPolarHBondContact O-CD2 3.32Å; Y216-L221 WeakPolarHBondContact O-CG 3.46Å |
| 217 | E | 95.7 | Very high | 95.5 | Very high | 96 Ų | 96 | 42 Ų | 42 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -99.1 | -15.5 | -176 | -71.3 | 172 | 168.8 | 0 | 0 | 113.2 | D213 K215 L221 | D213-E217 PolarHBondContact OD1-N 3.43Å; D213-E217 PolarHBondContact OD2-N 3.24Å; D213-E217 VanDerWaalsContact OD2-N 3.09Å; K215-E217 VanDerWaalsContact C-N 3.33Å; K215-E217 HydrophobicContact CB-CG 3.8Å; K215-E217 VanDerWaalsContact CD-OE1 3.31Å; K215-E217 WeakPolarHBondContact CD-OE1 3.48Å; E217-L221 WeakPolarHBondContact O-CD1 3.5Å |
| 218 | H | 96.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 44.7 Ų | 44.7 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -135.3 | -106.9 | -173.3 | -51.9 | 91.4 | 0 | 0 | 0 | 111 | V181 D213 G220 L221 | V181-H218 HydrophobicContact CG2-CB 3.74Å; D213-H218 IonicContact OD1-ND1 3.21Å; D213-H218 WeakPolarHBondContact OD2-CA 3.34Å; D213-H218 PolarHBondContact OD2-N 3.1Å; H218-G220 PolarHBondContact O-N 3.05Å; H218-G220 VanDerWaalsContact O-N 3.14Å; H218-L221 VanDerWaalsContact O-CB 3.26Å; H218-L221 WeakPolarHBondContact O-CB 3.31Å; H218-L221 PolarHBondContact O-N 3.3Å |
| 219 | I | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -60.1 | -24.8 | 178 | 60.1 | 162.5 | 0 | 0 | 0 | 112.5 | L117 L161 V181 I211 D213 L221 I222 W235 | L117-I219 HydrophobicContact CB-CD1 4.07Å; L117-I219 HydrophobicContact CD2-CD1 4.06Å; L161-I219 HydrophobicContact CD1-CG2 4.01Å; L161-I219 HydrophobicContact CD2-CB 4.48Å; L161-I219 HydrophobicContact CD2-CG2 3.88Å; L161-I219 HydrophobicContact CG-CG2 4.44Å; V181-I219 HydrophobicContact CG1-CG2 4.09Å; V181-I219 HydrophobicContact CG2-CG2 3.71Å; I211-I219 HydrophobicContact CB-CD1 4.19Å; I211-I219 HydrophobicContact CG2-CD1 3.64Å; I211-I219 HydrophobicContact CG2-CG1 4.37Å; D213-I219 HydrophobicContact CB-CD1 4.32Å; D213-I219 HydrophobicContact CB-CG1 3.56Å; D213-I219 PolarHBondContact OD2-N 2.93Å; I219-L221 PolarHBondContact O-N 2.98Å; I219-I222 HydrophobicContact CB-CD1 4.29Å; I219-I222 HydrophobicContact CG2-CD1 4.42Å; I219-I222 VanDerWaalsContact O-CB 3.32Å; I219-I222 WeakPolarHBondContact O-CB 3.5Å; I219-I222 WeakPolarHBondContact O-CG1 3.28Å; I219-I222 PolarHBondContact O-N 3.23Å; I219-I222 VanDerWaalsContact O-N 3.08Å; I219-W235 HydrophobicContact CD1-CH2 4.49Å |
| 220 | G | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -66.9 | -16.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R119 D213 H218 I222 | R119-G220 PolarHBondContact NH1-O 3.01Å; D213-G220 WeakPolarHBondContact OD2-CA 3.29Å; D213-G220 PolarHBondContact OD2-N 3.15Å; H218-G220 PolarHBondContact O-N 3.05Å; H218-G220 VanDerWaalsContact O-N 3.14Å; G220-I222 VanDerWaalsContact C-N 3.3Å |
| 221 | L | 96.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -77.6 | -15 | 172.8 | -60.9 | 169.2 | 0 | 0 | 0 | 113.2 | L165 Y169 M177 Y216 E217 H218 I219 D223 | L165-L221 HydrophobicContact CD2-CB 4.48Å; Y169-L221 HydrophobicContact CE2-CB 4.13Å; Y169-L221 HydrophobicContact CE2-CD1 3.97Å; M177-L221 HydrophobicContact CE-CD1 3.62Å; M177-L221 HydrophobicContact SD-CD1 4.34Å; Y216-L221 WeakPolarHBondContact O-CD2 3.32Å; Y216-L221 WeakPolarHBondContact O-CG 3.46Å; E217-L221 WeakPolarHBondContact O-CD1 3.5Å; H218-L221 VanDerWaalsContact O-CB 3.26Å; H218-L221 WeakPolarHBondContact O-CB 3.31Å; H218-L221 PolarHBondContact O-N 3.3Å; I219-L221 PolarHBondContact O-N 2.98Å; L221-D223 PolarHBondContact O-N 2.97Å |
| 222 | I | 97.3 | Very high | 95 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | trans | -73.6 | 128.6 | 179.2 | -59.7 | 169.7 | 0 | 0 | 0 | 109 | R119 L161 K164 L165 I219 G220 F224 W235 | R119-I222 PolarHBondContact NH1-O 2.99Å; L161-I222 HydrophobicContact CB-CD1 4.49Å; L161-I222 HydrophobicContact CD2-CD1 3.56Å; K164-I222 HydrophobicContact CB-CD1 4.1Å; K164-I222 HydrophobicContact CB-CG1 4.11Å; K164-I222 HydrophobicContact CB-CG2 3.64Å; K164-I222 HydrophobicContact CG-CG2 4.03Å; L165-I222 HydrophobicContact CD2-CD1 4.22Å; L165-I222 HydrophobicContact CD2-CG1 3.68Å; L165-I222 HydrophobicContact CG-CD1 4Å; L165-I222 HydrophobicContact CG-CG1 3.93Å; I219-I222 HydrophobicContact CB-CD1 4.29Å; I219-I222 HydrophobicContact CG2-CD1 4.42Å; I219-I222 VanDerWaalsContact O-CB 3.32Å; I219-I222 WeakPolarHBondContact O-CB 3.5Å; I219-I222 WeakPolarHBondContact O-CG1 3.28Å; I219-I222 PolarHBondContact O-N 3.23Å; I219-I222 VanDerWaalsContact O-N 3.08Å; G220-I222 VanDerWaalsContact C-N 3.3Å; I222-F224 HydrophobicContact CB-CE1 4.5Å; I222-F224 HydrophobicContact CB-CE2 4.39Å; I222-F224 HydrophobicContact CB-CZ 4.28Å; I222-F224 HydrophobicContact CD1-CZ 4.08Å; I222-F224 HydrophobicContact CG2-CD1 3.61Å; I222-F224 HydrophobicContact CG2-CD2 4.2Å; I222-F224 HydrophobicContact CG2-CE1 3.51Å; I222-F224 HydrophobicContact CG2-CE2 4.11Å; I222-F224 HydrophobicContact CG2-CG 3.94Å; I222-F224 HydrophobicContact CG2-CZ 3.76Å; I222-W235 PolarHBondContact O-NE1 3.39Å | ||
| 223 | D | 94.9 | Very high | 95.2 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | trans | -93.3 | 99.2 | 167.8 | -175.9 | 14.4 | 0 | 0 | 0 | 108.8 | L221 Q225 | L221-D223 PolarHBondContact O-N 2.97Å; D223-Q225 PolarHBondContact O-N 2.85Å; D223-Q225 PolarHBondContact OD1-NE2 3.03Å | ||
| 224 | F | 96.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | trans | -81.1 | 113.3 | 178.6 | -74.8 | -55 | 0 | 0 | 0 | 110.4 | L117 A127 M160 L161 K164 I222 L233 W235 | L117-F224 HydrophobicContact CD1-CE2 4.08Å; L117-F224 HydrophobicContact CD1-CZ 3.97Å; A127-F224 HydrophobicContact CB-CD2 3.8Å; A127-F224 HydrophobicContact CB-CE2 3.77Å; M160-F224 HydrophobicContact CE-CE1 4.02Å; M160-F224 HydrophobicContact CE-CZ 4.04Å; M160-F224 HydrophobicContact SD-CE1 4.01Å; L161-F224 HydrophobicContact CD2-CZ 3.96Å; K164-F224 HydrophobicContact CG-CE1 4.27Å; I222-F224 HydrophobicContact CB-CE1 4.5Å; I222-F224 HydrophobicContact CB-CE2 4.39Å; I222-F224 HydrophobicContact CB-CZ 4.28Å; I222-F224 HydrophobicContact CD1-CZ 4.08Å; I222-F224 HydrophobicContact CG2-CD1 3.61Å; I222-F224 HydrophobicContact CG2-CD2 4.2Å; I222-F224 HydrophobicContact CG2-CE1 3.51Å; I222-F224 HydrophobicContact CG2-CE2 4.11Å; I222-F224 HydrophobicContact CG2-CG 3.94Å; I222-F224 HydrophobicContact CG2-CZ 3.76Å; F224-L233 CarbonylContact C-O 3.56Å; F224-L233 HydrophobicContact CB-CB 4.13Å; F224-L233 WeakPolarHBondContact CB-O 3.1Å; F224-L233 HydrophobicContact CD1-CB 4.05Å; F224-L233 HydrophobicContact CD1-CD1 4.41Å; F224-L233 HydrophobicContact CD2-CB 4.32Å; F224-L233 HydrophobicContact CE1-CD1 4.09Å; F224-L233 HydrophobicContact CE2-CD1 4.39Å; F224-L233 HydrophobicContact CG-CB 3.94Å; F224-L233 HydrophobicContact CZ-CD1 4.09Å; F224-W235 AromaticContact CD2-CD1 3.97Å; F224-W235 HydrophobicContact CD2-CD2 4.14Å; F224-W235 AromaticContact CD2-CE2 3.45Å; F224-W235 VanDerWaalsContact CD2-CE2 3.45Å; F224-W235 HydrophobicContact CD2-CG 4.43Å; F224-W235 AromaticContact CD2-CZ2 3.71Å; F224-W235 HydrophobicContact CD2-CZ2 3.71Å; F224-W235 AromaticContact CD2-NE1 3.36Å; F224-W235 AromaticContact CE2-CE2 3.82Å; F224-W235 HydrophobicContact CE2-CH2 4.22Å; F224-W235 AromaticContact CE2-CZ2 3.54Å; F224-W235 HydrophobicContact CE2-CZ2 3.54Å | ||
| 225 | Q | 92.7 | Very high | 95.3 | Very high | 87 Ų | 87 | 53.6 Ų | 53.6 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | trans | -108.2 | 131.3 | 166.5 | -59 | -61 | -38.7 | 0 | 0 | 108.9 | D223 T227 T228 N229 L233 | D223-Q225 PolarHBondContact O-N 2.85Å; D223-Q225 PolarHBondContact OD1-NE2 3.03Å; Q225-T227 PolarHBondContact O-N 2.92Å; Q225-T227 VanDerWaalsContact O-N 3.11Å; Q225-T228 HydrophobicContact CB-CG2 3.79Å; Q225-T228 WeakPolarHBondContact CB-OG1 3.18Å; Q225-T228 PolarHBondContact O-N 2.83Å; Q225-T228 PolarHBondContact O-OG1 3.32Å; Q225-N229 PolarHBondContact O-ND2 3Å; Q225-L233 CarbonylContact C-O 3.46Å | ||
| 226 | P | 90.7 | Very high | 95.3 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -53.2 | -36.9 | -174.6 | -30.6 | 36 | 0 | 0 | 0 | 114.2 | P130 T228 N232 | P130-P226 HydrophobicContact CG-CG 4.26Å; P226-T228 VanDerWaalsContact C-N 3.25Å; P226-T228 PolarHBondContact O-N 3.29Å; P226-N232 HydrophobicContact CB-CB 4.31Å; P226-N232 WeakPolarHBondContact CB-O 3.27Å; P226-N232 VanDerWaalsContact O-CA 3.28Å; P226-N232 WeakPolarHBondContact O-CA 3.35Å; P226-N232 PolarHBondContact O-OD1 2.73Å |
| 227 | T | 91.5 | Very high | 95.3 | Very high | 138 Ų | 138 | 48.4 Ų | 48.4 | 85% | 0.847 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -78 | -5.6 | -179.1 | 53 | 0 | 0 | 0 | 0 | 114.5 | Q225 | Q225-T227 PolarHBondContact O-N 2.92Å; Q225-T227 VanDerWaalsContact O-N 3.11Å |
| 228 | T | 91.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -115.9 | 6.2 | -169 | 71.5 | 0 | 0 | 0 | 0 | 114 | Q225 P226 | Q225-T228 HydrophobicContact CB-CG2 3.79Å; Q225-T228 WeakPolarHBondContact CB-OG1 3.18Å; Q225-T228 PolarHBondContact O-N 2.83Å; Q225-T228 PolarHBondContact O-OG1 3.32Å; P226-T228 VanDerWaalsContact C-N 3.25Å; P226-T228 PolarHBondContact O-N 3.29Å |
| 229 | N | 93.8 | Very high | 94.8 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -144 | 148.8 | 179.5 | 74.6 | 89.1 | 0 | 0 | 0 | 110.8 | M160 K164 Q225 F231 N232 L233 | M160-N229 HydrophobicContact CG-CB 4.4Å; M160-N229 HydrophobicContact SD-CB 4.21Å; K164-N229 HydrophobicContact CD-CB 4.49Å; Q225-N229 PolarHBondContact O-ND2 3Å; N229-F231 PolarHBondContact O-N 2.82Å; N229-F231 PolarHBondContact OD1-N 3.4Å; N229-N232 PolarHBondContact O-N 3.09Å; N229-N232 VanDerWaalsContact O-N 3.1Å; N229-N232 PolarHBondContact OD1-N 3.22Å; N229-N232 VanDerWaalsContact OD1-N 3.1Å; N229-L233 PolarHBondContact ND2-N 3.36Å; N229-L233 VanDerWaalsContact ND2-N 3.1Å; N229-L233 PolarHBondContact ND2-O 3.13Å; N229-L233 VanDerWaalsContact ND2-O 3.17Å; N229-L233 WeakPolarHBondContact OD1-CB 3.49Å; N229-L233 PolarHBondContact OD1-N 3.25Å |
| 230 | P | 95.1 | Very high | 94.5 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 67% | 0.669 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.8 | -171.2 | 25.5 | -34.5 | 0 | 0 | 0 | 114.9 | M160 | M160-P230 HydrophobicContact CB-CG 4.19Å; M160-P230 HydrophobicContact CG-CG 4.23Å |
| 231 | F | 96.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 61 Ų | 61 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 7.4 | 179.3 | -67.6 | -85.6 | 0 | 0 | 0 | 112.4 | M129 P141 V143 P156 I157 M160 N229 L233 | M129-F231 WeakPolarHBondContact CG-O 3.18Å; M129-F231 HydrophobicContact SD-CB 4.26Å; M129-F231 HydrophobicContact SD-CD1 4.29Å; P141-F231 HydrophobicContact CB-CB 4.23Å; P141-F231 HydrophobicContact CB-CD1 3.77Å; P141-F231 HydrophobicContact CB-CE1 4.26Å; P141-F231 HydrophobicContact CB-CG 3.96Å; V143-F231 HydrophobicContact CG2-CE1 3.87Å; V143-F231 HydrophobicContact CG2-CZ 3.72Å; P156-F231 HydrophobicContact CB-CE2 4.44Å; P156-F231 HydrophobicContact CB-CZ 4.11Å; I157-F231 HydrophobicContact CG1-CE1 4.33Å; I157-F231 HydrophobicContact CG1-CE2 3.88Å; I157-F231 HydrophobicContact CG1-CZ 3.65Å; M160-F231 HydrophobicContact CE-CD2 4.39Å; M160-F231 HydrophobicContact SD-CB 4.48Å; M160-F231 HydrophobicContact SD-CD2 3.61Å; M160-F231 HydrophobicContact SD-CE2 4.35Å; M160-F231 HydrophobicContact SD-CG 4.48Å; N229-F231 PolarHBondContact O-N 2.82Å; N229-F231 PolarHBondContact OD1-N 3.4Å; F231-L233 HydrophobicContact CB-CD1 4.12Å; F231-L233 HydrophobicContact CB-CD2 4.11Å; F231-L233 HydrophobicContact CB-CG 3.73Å; F231-L233 PolarHBondContact O-N 3.18Å; F231-L233 VanDerWaalsContact O-N 3.12Å |
| 232 | N | 96 | Very high | 94.1 | Very high | 92 Ų | 92 | 59.5 Ų | 59.5 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | trans | 54.4 | 29.7 | -178 | -56.8 | -19.6 | 0 | 0 | 0 | 114.8 | P130 P226 N229 | P130-N232 WeakPolarHBondContact CD-O 3.34Å; P226-N232 HydrophobicContact CB-CB 4.31Å; P226-N232 WeakPolarHBondContact CB-O 3.27Å; P226-N232 VanDerWaalsContact O-CA 3.28Å; P226-N232 WeakPolarHBondContact O-CA 3.35Å; P226-N232 PolarHBondContact O-OD1 2.73Å; N229-N232 PolarHBondContact O-N 3.09Å; N229-N232 VanDerWaalsContact O-N 3.1Å; N229-N232 PolarHBondContact OD1-N 3.22Å; N229-N232 VanDerWaalsContact OD1-N 3.1Å | ||
| 233 | L | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -67.3 | 148.9 | -173.5 | -61.4 | 174.7 | 0 | 0 | 0 | 113 | L117 A127 V128 M129 P141 M160 F224 Q225 N229 F231 | L117-L233 HydrophobicContact CD1-CD1 4.1Å; A127-L233 HydrophobicContact CB-CB 4.36Å; A127-L233 HydrophobicContact CB-CD1 4.21Å; A127-L233 HydrophobicContact CB-CD2 4.42Å; V128-L233 WeakPolarHBondContact O-CA 3.43Å; M129-L233 HydrophobicContact CG-CD2 3.68Å; P141-L233 HydrophobicContact CB-CD1 4.4Å; P141-L233 HydrophobicContact CB-CD2 4.17Å; P141-L233 HydrophobicContact CG-CD1 4.17Å; P141-L233 HydrophobicContact CG-CD2 4.05Å; M160-L233 HydrophobicContact CE-CD1 3.68Å; M160-L233 HydrophobicContact SD-CD1 3.75Å; F224-L233 CarbonylContact C-O 3.56Å; F224-L233 HydrophobicContact CB-CB 4.13Å; F224-L233 WeakPolarHBondContact CB-O 3.1Å; F224-L233 HydrophobicContact CD1-CB 4.05Å; F224-L233 HydrophobicContact CD1-CD1 4.41Å; F224-L233 HydrophobicContact CD2-CB 4.32Å; F224-L233 HydrophobicContact CE1-CD1 4.09Å; F224-L233 HydrophobicContact CE2-CD1 4.39Å; F224-L233 HydrophobicContact CG-CB 3.94Å; F224-L233 HydrophobicContact CZ-CD1 4.09Å; Q225-L233 CarbonylContact C-O 3.46Å; N229-L233 PolarHBondContact ND2-N 3.36Å; N229-L233 VanDerWaalsContact ND2-N 3.1Å; N229-L233 PolarHBondContact ND2-O 3.13Å; N229-L233 VanDerWaalsContact ND2-O 3.17Å; N229-L233 WeakPolarHBondContact OD1-CB 3.49Å; N229-L233 PolarHBondContact OD1-N 3.25Å; F231-L233 HydrophobicContact CB-CD1 4.12Å; F231-L233 HydrophobicContact CB-CD2 4.11Å; F231-L233 HydrophobicContact CB-CG 3.73Å; F231-L233 PolarHBondContact O-N 3.18Å; F231-L233 VanDerWaalsContact O-N 3.12Å | ||
| 234 | T | 96.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 148.4 | 163.8 | -177 | 0 | 0 | 0 | 0 | 110.1 | A127 V128 P130 T236 | A127-T234 WeakPolarHBondContact CA-O 3.42Å; V128-T234 PolarHBondContact N-O 3.49Å; V128-T234 PolarHBondContact O-N 3.23Å; P130-T234 HydrophobicContact CB-CG2 4.43Å; P130-T234 HydrophobicContact CG-CG2 4.21Å; T234-T236 PolarHBondContact O-N 2.92Å |
| 235 | W | 97.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 64 Ų | 64 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 124.1 | 173.4 | -70.4 | 111.1 | 0 | 0 | 0 | 110.6 | L117 R119 E125 A127 I219 I222 F224 | L117-W235 HydrophobicContact CB-CH2 4.27Å; R119-W235 HydrophobicContact CB-CH2 4.17Å; R119-W235 HydrophobicContact CB-CZ3 4.21Å; R119-W235 HydrophobicContact CG-CD2 4.24Å; R119-W235 HydrophobicContact CG-CE3 3.85Å; R119-W235 HydrophobicContact CG-CH2 3.96Å; R119-W235 HydrophobicContact CG-CZ2 4.33Å; R119-W235 HydrophobicContact CG-CZ3 3.7Å; R119-W235 VanDerWaalsContact NE-CD2 3.34Å; R119-W235 VanDerWaalsContact NH1-NE1 3.2Å; R119-W235 VanDerWaalsContact NH2-CG 3.27Å; E125-W235 HydrophobicContact CB-CE3 4.04Å; E125-W235 WeakPolarHBondContact OE2-CB 3.49Å; A127-W235 HydrophobicContact CB-CD2 4.39Å; A127-W235 HydrophobicContact CB-CE3 4.03Å; A127-W235 HydrophobicContact CB-CH2 4.22Å; A127-W235 HydrophobicContact CB-CZ3 3.94Å; I219-W235 HydrophobicContact CD1-CH2 4.49Å; I222-W235 PolarHBondContact O-NE1 3.39Å; F224-W235 AromaticContact CD2-CD1 3.97Å; F224-W235 HydrophobicContact CD2-CD2 4.14Å; F224-W235 AromaticContact CD2-CE2 3.45Å; F224-W235 VanDerWaalsContact CD2-CE2 3.45Å; F224-W235 HydrophobicContact CD2-CG 4.43Å; F224-W235 AromaticContact CD2-CZ2 3.71Å; F224-W235 HydrophobicContact CD2-CZ2 3.71Å; F224-W235 AromaticContact CD2-NE1 3.36Å; F224-W235 AromaticContact CE2-CE2 3.82Å; F224-W235 HydrophobicContact CE2-CH2 4.22Å; F224-W235 AromaticContact CE2-CZ2 3.54Å; F224-W235 HydrophobicContact CE2-CZ2 3.54Å |
| 236 | T | 96.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.4 | -179.9 | -62 | 0 | 0 | 0 | 0 | 110.4 | E125 Y126 V128 T234 F238 F242 | E125-T236 CarbonylContact C-O 3.51Å; E125-T236 VanDerWaalsContact CA-O 3.29Å; E125-T236 WeakPolarHBondContact CA-O 3.46Å; Y126-T236 PolarHBondContact N-O 3.39Å; Y126-T236 PolarHBondContact O-N 2.89Å; V128-T236 VanDerWaalsContact CG2-OG1 3.24Å; V128-T236 WeakPolarHBondContact CG2-OG1 2.97Å; T234-T236 PolarHBondContact O-N 2.92Å; T236-F238 HydrophobicContact CG2-CD1 4.13Å; T236-F238 HydrophobicContact CG2-CE1 4.04Å; T236-F238 WeakPolarHBondContact O-CD1 3.46Å; T236-F238 PolarHBondContact O-N 2.93Å; T236-F242 HydrophobicContact CG2-CD2 3.72Å; T236-F242 HydrophobicContact CG2-CE2 3.81Å |
| 237 | I | 95.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 38% | 0.379 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.7 | 173.1 | -65.6 | 170.9 | 0 | 0 | 0 | 108.9 | P123 E125 D239 F242 | P123-I237 HydrophobicContact CB-CD1 4.32Å; P123-I237 HydrophobicContact CB-CG1 4.23Å; P123-I237 HydrophobicContact CB-CG2 3.72Å; P123-I237 HydrophobicContact CG-CD1 4.03Å; P123-I237 HydrophobicContact CG-CG1 4.29Å; E125-I237 HydrophobicContact CG-CG1 3.74Å; I237-D239 HydrophobicContact CG2-CB 3.81Å; I237-D239 PolarHBondContact O-N 3.13Å; I237-F242 WeakPolarHBondContact O-CB 3.48Å |
| 238 | F | 92.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | trans | -95.5 | 70.3 | 176.3 | -84.7 | 36.7 | 0 | 0 | 0 | 109.8 | R124 Y126 V128 Y140 T236 F242 F243 P278 F282 | R124-F238 PolarHBondContact O-N 3.33Å; Y126-F238 HydrophobicContact CD2-CB 3.7Å; Y126-F238 AromaticContact CD2-CD1 3.77Å; Y126-F238 HydrophobicContact CD2-CD1 3.77Å; Y126-F238 AromaticContact CD2-CD2 3.64Å; Y126-F238 HydrophobicContact CD2-CD2 3.64Å; Y126-F238 HydrophobicContact CD2-CE1 4.31Å; Y126-F238 HydrophobicContact CD2-CE2 4.21Å; Y126-F238 AromaticContact CD2-CG 3.4Å; Y126-F238 HydrophobicContact CD2-CG 3.4Å; Y126-F238 VanDerWaalsContact CD2-CG 3.4Å; Y126-F238 HydrophobicContact CE2-CB 3.83Å; Y126-F238 AromaticContact CE2-CD2 4Å; Y126-F238 HydrophobicContact CE2-CD2 4Å; Y126-F238 AromaticContact CE2-CG 3.93Å; Y126-F238 HydrophobicContact CE2-CG 3.93Å; Y126-F238 HydrophobicContact CG-CD1 4.35Å; Y126-F238 HydrophobicContact CG-CD2 4.25Å; Y126-F238 HydrophobicContact CG-CE1 4.46Å; Y126-F238 HydrophobicContact CG-CE2 4.37Å; Y126-F238 HydrophobicContact CG-CG 4.25Å; Y126-F238 HydrophobicContact CG-CZ 4.47Å; V128-F238 HydrophobicContact CG1-CE1 3.72Å; V128-F238 HydrophobicContact CG1-CZ 3.64Å; Y140-F238 HydrophobicContact CE1-CE2 4.42Å; Y140-F238 HydrophobicContact CE1-CZ 4.2Å; Y140-F238 WeakPolarHBondContact OH-CE2 3.49Å; T236-F238 HydrophobicContact CG2-CD1 4.13Å; T236-F238 HydrophobicContact CG2-CE1 4.04Å; T236-F238 WeakPolarHBondContact O-CD1 3.46Å; T236-F238 PolarHBondContact O-N 2.93Å; F238-F242 HydrophobicContact CD1-CD1 4.1Å; F238-F242 HydrophobicContact CD1-CD2 4.44Å; F238-F242 AromaticContact CD1-CE1 3.96Å; F238-F242 HydrophobicContact CD1-CE1 3.96Å; F238-F242 HydrophobicContact CD1-CE2 4.29Å; F238-F242 HydrophobicContact CD1-CG 4.35Å; F238-F242 HydrophobicContact CD1-CZ 4.06Å; F238-F242 HydrophobicContact CD2-CD1 4.31Å; F238-F242 AromaticContact CD2-CE1 3.93Å; F238-F242 HydrophobicContact CD2-CE1 3.93Å; F238-F242 HydrophobicContact CE1-CD1 4.37Å; F238-F242 HydrophobicContact CE1-CD2 4.44Å; F238-F242 AromaticContact CE1-CE1 3.79Å; F238-F242 HydrophobicContact CE1-CE1 3.79Å; F238-F242 AromaticContact CE1-CE2 3.86Å; F238-F242 HydrophobicContact CE1-CE2 3.86Å; F238-F242 AromaticContact CE1-CZ 3.51Å; F238-F242 HydrophobicContact CE1-CZ 3.51Å; F238-F242 AromaticContact CE2-CE1 3.74Å; F238-F242 HydrophobicContact CE2-CE1 3.74Å; F238-F242 HydrophobicContact CE2-CZ 4.06Å; F238-F242 HydrophobicContact CG-CD1 4.07Å; F238-F242 HydrophobicContact CG-CE1 4.03Å; F238-F242 AromaticContact CZ-CE1 3.68Å; F238-F242 HydrophobicContact CZ-CE1 3.68Å; F238-F242 HydrophobicContact CZ-CE2 4.31Å; F238-F242 AromaticContact CZ-CZ 3.51Å; F238-F242 HydrophobicContact CZ-CZ 3.51Å; F238-F243 HydrophobicContact CB-CE2 4.36Å; F238-F243 HydrophobicContact CB-CZ 4.35Å; F238-F243 HydrophobicContact CD2-CZ 4.07Å; F238-P278 HydrophobicContact CB-CB 4.06Å; F238-F282 HydrophobicContact CD2-CB 4.12Å; F238-F282 HydrophobicContact CD2-CG 4.46Å; F238-F282 HydrophobicContact CE2-CB 3.56Å; F238-F282 AromaticContact CE2-CD1 3.48Å; F238-F282 HydrophobicContact CE2-CD1 3.48Å; F238-F282 VanDerWaalsContact CE2-CD1 3.48Å; F238-F282 HydrophobicContact CE2-CD2 4.48Å; F238-F282 HydrophobicContact CE2-CE1 4.27Å; F238-F282 AromaticContact CE2-CG 3.58Å; F238-F282 HydrophobicContact CE2-CG 3.58Å; F238-F282 AromaticContact CZ-CD1 3.72Å; F238-F282 HydrophobicContact CZ-CD1 3.72Å; F238-F282 HydrophobicContact CZ-CE1 4.07Å; F238-F282 HydrophobicContact CZ-CG 4.19Å | ||
| 239 | D | 90.2 | Very high | 92.5 | Very high | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -98.6 | -175.5 | 175.2 | 66.1 | 20.6 | 0 | 0 | 0 | 112.1 | I237 E241 F242 F243 | I237-D239 HydrophobicContact CG2-CB 3.81Å; I237-D239 PolarHBondContact O-N 3.13Å; D239-E241 VanDerWaalsContact C-N 3.25Å; D239-E241 PolarHBondContact O-N 3.15Å; D239-E241 WeakPolarHBondContact OD1-CA 3.45Å; D239-E241 WeakPolarHBondContact OD1-CB 3.45Å; D239-E241 PolarHBondContact OD1-N 3.22Å; D239-F242 PolarHBondContact O-N 3.38Å; D239-F242 PolarHBondContact OD1-N 2.82Å; D239-F243 WeakPolarHBondContact O-CD2 3.11Å; D239-F243 PolarHBondContact O-N 3.03Å |
| 240 | R | 89.3 | Confident | 91.9 | Very high | 168 Ų | 168 | 58.1 Ų | 58.1 | 63% | 0.634 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.9 | -32.9 | 179.9 | -170.5 | 176.4 | -178.8 | -169.6 | -1 | 112.6 | H244 L271 | R240-H244 PolarHBondContact NE-CE1 3.01Å; R240-H244 VanDerWaalsContact NE-CE1 3.28Å; R240-H244 WeakPolarHBondContact O-CB 3.45Å; R240-H244 VanDerWaalsContact O-CG 3.26Å; R240-H244 PolarHBondContact O-N 3.25Å; R240-H244 PolarHBondContact O-ND1 3.46Å; R240-L271 HydrophobicContact CG-CD2 4.19Å |
| 241 | E | 92.4 | Very high | 91.2 | Very high | 153 Ų | 153 | 53.4 Ų | 53.4 | 72% | 0.715 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.5 | -43.9 | 180 | -61.5 | -168.2 | 165.3 | 0 | 0 | 111.1 | D239 F243 H244 K245 | D239-E241 VanDerWaalsContact C-N 3.25Å; D239-E241 PolarHBondContact O-N 3.15Å; D239-E241 WeakPolarHBondContact OD1-CA 3.45Å; D239-E241 WeakPolarHBondContact OD1-CB 3.45Å; D239-E241 PolarHBondContact OD1-N 3.22Å; E241-F243 VanDerWaalsContact C-N 3.35Å; E241-F243 PolarHBondContact O-N 3.21Å; E241-H244 PolarHBondContact O-N 3.42Å; E241-K245 WeakPolarHBondContact O-CB 3.46Å; E241-K245 PolarHBondContact O-N 3.36Å |
| 242 | F | 92.7 | Very high | 90.6 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.3 | -53.7 | 171.6 | 173.2 | -93.2 | 0 | 0 | 0 | 110.7 | P138 T236 I237 F238 D239 H244 K245 Q246 F282 | P138-F242 HydrophobicContact CG-CE2 4.25Å; P138-F242 HydrophobicContact CG-CZ 4.46Å; T236-F242 HydrophobicContact CG2-CD2 3.72Å; T236-F242 HydrophobicContact CG2-CE2 3.81Å; I237-F242 WeakPolarHBondContact O-CB 3.48Å; F238-F242 HydrophobicContact CD1-CD1 4.1Å; F238-F242 HydrophobicContact CD1-CD2 4.44Å; F238-F242 AromaticContact CD1-CE1 3.96Å; F238-F242 HydrophobicContact CD1-CE1 3.96Å; F238-F242 HydrophobicContact CD1-CE2 4.29Å; F238-F242 HydrophobicContact CD1-CG 4.35Å; F238-F242 HydrophobicContact CD1-CZ 4.06Å; F238-F242 HydrophobicContact CD2-CD1 4.31Å; F238-F242 AromaticContact CD2-CE1 3.93Å; F238-F242 HydrophobicContact CD2-CE1 3.93Å; F238-F242 HydrophobicContact CE1-CD1 4.37Å; F238-F242 HydrophobicContact CE1-CD2 4.44Å; F238-F242 AromaticContact CE1-CE1 3.79Å; F238-F242 HydrophobicContact CE1-CE1 3.79Å; F238-F242 AromaticContact CE1-CE2 3.86Å; F238-F242 HydrophobicContact CE1-CE2 3.86Å; F238-F242 AromaticContact CE1-CZ 3.51Å; F238-F242 HydrophobicContact CE1-CZ 3.51Å; F238-F242 AromaticContact CE2-CE1 3.74Å; F238-F242 HydrophobicContact CE2-CE1 3.74Å; F238-F242 HydrophobicContact CE2-CZ 4.06Å; F238-F242 HydrophobicContact CG-CD1 4.07Å; F238-F242 HydrophobicContact CG-CE1 4.03Å; F238-F242 AromaticContact CZ-CE1 3.68Å; F238-F242 HydrophobicContact CZ-CE1 3.68Å; F238-F242 HydrophobicContact CZ-CE2 4.31Å; F238-F242 AromaticContact CZ-CZ 3.51Å; F238-F242 HydrophobicContact CZ-CZ 3.51Å; D239-F242 PolarHBondContact O-N 3.38Å; D239-F242 PolarHBondContact OD1-N 2.82Å; F242-H244 PolarHBondContact O-N 2.91Å; F242-K245 WeakPolarHBondContact O-CB 3.4Å; F242-K245 PolarHBondContact O-N 2.82Å; F242-K245 VanDerWaalsContact O-N 3.15Å; F242-Q246 HydrophobicContact CD1-CG 4.17Å; F242-Q246 HydrophobicContact CE1-CG 3.77Å; F242-Q246 HydrophobicContact CE2-CG 4.23Å; F242-Q246 HydrophobicContact CZ-CG 3.79Å; F242-Q246 VanDerWaalsContact O-CG 3.3Å; F242-Q246 WeakPolarHBondContact O-CG 3.14Å; F242-Q246 PolarHBondContact O-N 3.2Å; F242-F282 AromaticContact CE1-CD2 3.8Å; F242-F282 HydrophobicContact CE1-CD2 3.8Å; F242-F282 AromaticContact CE1-CE2 3.89Å; F242-F282 HydrophobicContact CE1-CE2 3.89Å; F242-F282 HydrophobicContact CE1-CG 4.18Å; F242-F282 HydrophobicContact CE1-CZ 4.28Å; F242-F282 HydrophobicContact CZ-CD2 4.28Å; F242-F282 HydrophobicContact CZ-CE1 4.24Å; F242-F282 AromaticContact CZ-CE2 3.97Å; F242-F282 HydrophobicContact CZ-CE2 3.97Å; F242-F282 AromaticContact CZ-CZ 3.92Å; F242-F282 HydrophobicContact CZ-CZ 3.92Å |
| 243 | F | 91.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 4% | 0.044 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | -179.1 | -72.2 | -63.2 | 0 | 0 | 0 | 113.1 | F238 D239 E241 K245 Q246 I247 L270 L271 P278 F282 | F238-F243 HydrophobicContact CB-CE2 4.36Å; F238-F243 HydrophobicContact CB-CZ 4.35Å; F238-F243 HydrophobicContact CD2-CZ 4.07Å; D239-F243 WeakPolarHBondContact O-CD2 3.11Å; D239-F243 PolarHBondContact O-N 3.03Å; E241-F243 VanDerWaalsContact C-N 3.35Å; E241-F243 PolarHBondContact O-N 3.21Å; F243-K245 VanDerWaalsContact C-N 3.3Å; F243-K245 PolarHBondContact O-N 2.97Å; F243-Q246 PolarHBondContact O-N 2.62Å; F243-I247 WeakPolarHBondContact O-CG1 3.21Å; F243-I247 PolarHBondContact O-N 2.88Å; F243-L270 HydrophobicContact CB-CB 4.49Å; F243-L270 HydrophobicContact CD1-CB 3.97Å; F243-L270 HydrophobicContact CD1-CD1 3.97Å; F243-L270 HydrophobicContact CD1-CD2 3.42Å; F243-L270 VanDerWaalsContact CD1-CD2 3.42Å; F243-L270 HydrophobicContact CD1-CG 3.99Å; F243-L270 HydrophobicContact CE1-CD2 3.53Å; F243-L270 HydrophobicContact CG-CB 4.42Å; F243-L271 HydrophobicContact CB-CD2 3.46Å; F243-L271 VanDerWaalsContact CB-CD2 3.46Å; F243-L271 HydrophobicContact CB-CG 4.41Å; F243-L271 HydrophobicContact CD2-CD2 4.16Å; F243-L271 HydrophobicContact CG-CD2 4.04Å; F243-P278 HydrophobicContact CE2-CB 4.2Å; F243-P278 HydrophobicContact CZ-CB 4.04Å; F243-P278 WeakPolarHBondContact CZ-O 3.39Å; F243-F282 HydrophobicContact CE1-CB 3.89Å; F243-F282 HydrophobicContact CE1-CD2 4.22Å; F243-F282 HydrophobicContact CE1-CG 4.46Å |
| 244 | H | 89.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 26% | 0.255 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 174.3 | -73.6 | 156.7 | 0 | 0 | 0 | 112.1 | R240 E241 F242 I247 R248 L271 | R240-H244 PolarHBondContact NE-CE1 3.01Å; R240-H244 VanDerWaalsContact NE-CE1 3.28Å; R240-H244 WeakPolarHBondContact O-CB 3.45Å; R240-H244 VanDerWaalsContact O-CG 3.26Å; R240-H244 PolarHBondContact O-N 3.25Å; R240-H244 PolarHBondContact O-ND1 3.46Å; E241-H244 PolarHBondContact O-N 3.42Å; F242-H244 PolarHBondContact O-N 2.91Å; H244-I247 PolarHBondContact O-N 2.85Å; H244-R248 WeakPolarHBondContact O-CG 3.26Å; H244-R248 PolarHBondContact O-N 3.04Å; H244-L271 WeakPolarHBondContact NE2-CD1 3.48Å |
| 245 | K | 90.6 | Very high | 87.7 | Confident | 123 Ų | 123 | 63 Ų | 63 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 175.1 | -176.4 | 179.9 | 179.5 | 178.6 | 0 | 111.2 | E241 F242 F243 I247 R248 K249 | E241-K245 WeakPolarHBondContact O-CB 3.46Å; E241-K245 PolarHBondContact O-N 3.36Å; F242-K245 WeakPolarHBondContact O-CB 3.4Å; F242-K245 PolarHBondContact O-N 2.82Å; F242-K245 VanDerWaalsContact O-N 3.15Å; F243-K245 VanDerWaalsContact C-N 3.3Å; F243-K245 PolarHBondContact O-N 2.97Å; K245-I247 PolarHBondContact O-N 2.95Å; K245-R248 PolarHBondContact O-N 2.86Å; K245-K249 PolarHBondContact O-N 3.44Å |
| 246 | Q | 89.7 | Confident | 86.7 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 179.6 | -55.4 | -36.9 | -41.5 | 0 | 0 | 112.5 | L137 F242 F243 K249 Q250 F282 F285 | L137-Q246 HydrophobicContact CD2-CB 3.74Å; L137-Q246 HydrophobicContact CD2-CG 4.2Å; L137-Q246 VanDerWaalsContact CD2-OE1 3.23Å; F242-Q246 HydrophobicContact CD1-CG 4.17Å; F242-Q246 HydrophobicContact CE1-CG 3.77Å; F242-Q246 HydrophobicContact CE2-CG 4.23Å; F242-Q246 HydrophobicContact CZ-CG 3.79Å; F242-Q246 VanDerWaalsContact O-CG 3.3Å; F242-Q246 WeakPolarHBondContact O-CG 3.14Å; F242-Q246 PolarHBondContact O-N 3.2Å; F243-Q246 PolarHBondContact O-N 2.62Å; Q246-K249 PolarHBondContact O-N 2.65Å; Q246-Q250 WeakPolarHBondContact O-CG 3.37Å; Q246-Q250 PolarHBondContact O-N 2.77Å; Q246-F282 HydrophobicContact CB-CE2 4.28Å; Q246-F282 HydrophobicContact CG-CE2 3.77Å; Q246-F282 HydrophobicContact CG-CZ 4.47Å; Q246-F285 HydrophobicContact CB-CE1 4.03Å |
| 247 | I | 85.7 | Confident | 86 | Confident | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.5 | -65.2 | 164 | 0 | 0 | 0 | 110 | F243 H244 K245 K249 Q250 M251 M258 K267 L270 L271 F285 | F243-I247 WeakPolarHBondContact O-CG1 3.21Å; F243-I247 PolarHBondContact O-N 2.88Å; H244-I247 PolarHBondContact O-N 2.85Å; K245-I247 PolarHBondContact O-N 2.95Å; I247-K249 PolarHBondContact O-N 3.18Å; I247-Q250 PolarHBondContact O-N 2.73Å; I247-Q250 VanDerWaalsContact O-N 3.11Å; I247-M251 HydrophobicContact CG2-CG 4.03Å; I247-M251 VanDerWaalsContact O-CG 3.29Å; I247-M251 WeakPolarHBondContact O-CG 3.42Å; I247-M251 PolarHBondContact O-N 2.86Å; I247-M258 HydrophobicContact CG2-CE 4.18Å; I247-M258 HydrophobicContact CG2-SD 3.74Å; I247-K267 HydrophobicContact CD1-CB 4.28Å; I247-K267 HydrophobicContact CD1-CG 4.41Å; I247-L270 HydrophobicContact CD1-CB 4.34Å; I247-L270 HydrophobicContact CD1-CD1 3.95Å; I247-L270 HydrophobicContact CG1-CD1 3.49Å; I247-L270 VanDerWaalsContact CG1-CD1 3.49Å; I247-L271 HydrophobicContact CD1-CD1 4.32Å; I247-L271 HydrophobicContact CD1-CG 4.43Å; I247-F285 HydrophobicContact CG1-CZ 4.43Å |
| 248 | R | 86.2 | Confident | 85.2 | Confident | 161 Ų | 161 | 71.2 Ų | 71.2 | 61% | 0.608 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.6 | -45.6 | 179 | -75 | 174.4 | -172.9 | 154.2 | 1.3 | 112.9 | H244 K245 Q250 M251 A252 M258 | H244-R248 WeakPolarHBondContact O-CG 3.26Å; H244-R248 PolarHBondContact O-N 3.04Å; K245-R248 PolarHBondContact O-N 2.86Å; R248-Q250 VanDerWaalsContact C-N 3.28Å; R248-Q250 PolarHBondContact O-N 3.44Å; R248-M251 PolarHBondContact O-N 3.18Å; R248-A252 WeakPolarHBondContact O-CB 3.28Å; R248-A252 PolarHBondContact O-N 2.89Å; R248-M258 HydrophobicContact CB-CE 4.33Å; R248-M258 HydrophobicContact CG-CE 3.7Å |
| 249 | K | 86.7 | Confident | 84.5 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 15% | 0.148 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -53.8 | -45.7 | 175.4 | -75.3 | -172.3 | 165.8 | -139 | 0 | 111.8 | E133 E134 Y135 E136 K245 Q246 I247 K253 | E133-K249 PolarHBondContact O-NZ 2.87Å; E133-K249 VanDerWaalsContact O-NZ 3.15Å; E134-K249 WeakPolarHBondContact O-CD 3.36Å; E134-K249 WeakPolarHBondContact O-CE 3.39Å; E134-K249 WeakPolarHBondContact O-CG 3.49Å; E134-K249 PolarHBondContact O-NZ 2.79Å; Y135-K249 WeakPolarHBondContact CD1-O 3.28Å; E136-K249 PolarHBondContact O-NZ 3.43Å; K245-K249 PolarHBondContact O-N 3.44Å; Q246-K249 PolarHBondContact O-N 2.65Å; I247-K249 PolarHBondContact O-N 3.18Å; K249-K253 PolarHBondContact O-N 2.75Å |
| 250 | Q | 82.4 | Confident | 84 | Confident | 14 Ų | 14 | 75 Ų | 75 | 7% | 0.065 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72.8 | -35.3 | -178.6 | -62.2 | -50.2 | -59 | 0 | 0 | 113.4 | Y135 L137 Q246 I247 R248 K253 S254 F285 L289 | Y135-Q250 PolarHBondContact O-NE2 2.92Å; L137-Q250 HydrophobicContact CD1-CG 4.26Å; L137-Q250 HydrophobicContact CD2-CG 4.18Å; L137-Q250 HydrophobicContact CG-CG 4.42Å; Q246-Q250 WeakPolarHBondContact O-CG 3.37Å; Q246-Q250 PolarHBondContact O-N 2.77Å; I247-Q250 PolarHBondContact O-N 2.73Å; I247-Q250 VanDerWaalsContact O-N 3.11Å; R248-Q250 VanDerWaalsContact C-N 3.28Å; R248-Q250 PolarHBondContact O-N 3.44Å; Q250-K253 PolarHBondContact O-N 2.85Å; Q250-S254 PolarHBondContact O-N 3.19Å; Q250-S254 PolarHBondContact O-OG 2.75Å; Q250-F285 HydrophobicContact CB-CZ 4.39Å; Q250-F285 HydrophobicContact CG-CE1 4.2Å; Q250-F285 HydrophobicContact CG-CZ 3.73Å; Q250-L289 HydrophobicContact CB-CD2 4.07Å; Q250-L289 HydrophobicContact CG-CD1 3.6Å; Q250-L289 HydrophobicContact CG-CD2 3.83Å; Q250-L289 HydrophobicContact CG-CG 4.38Å |
| 251 | M | 80.7 | Confident | 83.5 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.4 | -63.8 | -43.2 | -56.9 | 0 | 0 | 111.6 | I247 R248 S254 D255 T256 K257 M258 A263 F266 | I247-M251 HydrophobicContact CG2-CG 4.03Å; I247-M251 VanDerWaalsContact O-CG 3.29Å; I247-M251 WeakPolarHBondContact O-CG 3.42Å; I247-M251 PolarHBondContact O-N 2.86Å; R248-M251 PolarHBondContact O-N 3.18Å; M251-S254 PolarHBondContact O-N 3.44Å; M251-S254 PolarHBondContact O-OG 3.32Å; M251-D255 PolarHBondContact O-N 2.94Å; M251-T256 VanDerWaalsContact CE-CB 3.41Å; M251-T256 HydrophobicContact CE-CG2 3.28Å; M251-T256 WeakPolarHBondContact CE-O 3.16Å; M251-T256 PolarHBondContact O-N 2.84Å; M251-K257 WeakPolarHBondContact CE-O 3.3Å; M251-M258 HydrophobicContact CB-CE 3.75Å; M251-M258 HydrophobicContact CG-CE 3.42Å; M251-M258 VanDerWaalsContact CG-CE 3.42Å; M251-M258 HydrophobicContact CG-SD 3.78Å; M251-A263 HydrophobicContact CE-CB 3.5Å; M251-A263 HydrophobicContact CG-CB 4.32Å; M251-A263 VanDerWaalsContact SD-CA 3.57Å; M251-A263 HydrophobicContact SD-CB 3.59Å; M251-A263 VanDerWaalsContact SD-CB 3.59Å; M251-F266 HydrophobicContact SD-CD2 4.06Å |
| 252 | A | 82.6 | Confident | 82.7 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y135 R248 S254 D255 | Y135-A252 HydrophobicContact CD1-CB 4.14Å; Y135-A252 HydrophobicContact CE1-CB 3.64Å; R248-A252 WeakPolarHBondContact O-CB 3.28Å; R248-A252 PolarHBondContact O-N 2.89Å; A252-S254 PolarHBondContact O-N 3.25Å; A252-S254 VanDerWaalsContact O-N 3.14Å; A252-D255 PolarHBondContact O-N 3.07Å; A252-D255 VanDerWaalsContact O-N 3.15Å |
| 253 | K | 79.8 | Confident | 82.1 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 53% | 0.53 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.4 | -30.2 | 177 | -168.1 | 178.4 | 178.5 | 172.5 | 0 | 114.1 | Y135 K249 Q250 | Y135-K253 HydrophobicContact CD1-CB 4.25Å; Y135-K253 HydrophobicContact CG-CB 4.03Å; Y135-K253 HydrophobicContact CG-CG 4.32Å; K249-K253 PolarHBondContact O-N 2.75Å; Q250-K253 PolarHBondContact O-N 2.85Å |
| 254 | S | 74.4 | Confident | 81.7 | Confident | 31 Ų | 31 | 73.2 Ų | 73.2 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 10.2 | -176.3 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | Q250 M251 A252 T256 | Q250-S254 PolarHBondContact O-N 3.19Å; Q250-S254 PolarHBondContact O-OG 2.75Å; M251-S254 PolarHBondContact O-N 3.44Å; M251-S254 PolarHBondContact O-OG 3.32Å; A252-S254 PolarHBondContact O-N 3.25Å; A252-S254 VanDerWaalsContact O-N 3.14Å; S254-T256 PolarHBondContact O-N 2.74Å; S254-T256 PolarHBondContact O-OG1 3.05Å; S254-T256 WeakPolarHBondContact OG-CB 3.44Å; S254-T256 PolarHBondContact OG-OG1 3.42Å |
| 255 | D | 76.3 | Confident | 81.2 | Confident | 161 Ų | 161 | 78.4 Ų | 78.4 | 86% | 0.861 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 28.1 | -172.6 | -71.4 | -36.7 | 0 | 0 | 0 | 113.7 | M251 A252 | M251-D255 PolarHBondContact O-N 2.94Å; A252-D255 PolarHBondContact O-N 3.07Å; A252-D255 VanDerWaalsContact O-N 3.15Å |
| 256 | T | 75.4 | Confident | 80.8 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | trans | -103 | 129.7 | -169.4 | -63.1 | 0 | 0 | 0 | 0 | 109.5 | M251 S254 S260 L262 | M251-T256 VanDerWaalsContact CE-CB 3.41Å; M251-T256 HydrophobicContact CE-CG2 3.28Å; M251-T256 WeakPolarHBondContact CE-O 3.16Å; M251-T256 PolarHBondContact O-N 2.84Å; S254-T256 PolarHBondContact O-N 2.74Å; S254-T256 PolarHBondContact O-OG1 3.05Å; S254-T256 WeakPolarHBondContact OG-CB 3.44Å; S254-T256 PolarHBondContact OG-OG1 3.42Å; T256-S260 WeakPolarHBondContact CG2-OG 3.15Å; T256-L262 HydrophobicContact CG2-CB 4.5Å; T256-L262 HydrophobicContact CG2-CD2 4.44Å | ||
| 257 | K | 81 | Confident | 80.5 | Confident | 166 Ų | 166 | 76.7 Ų | 76.7 | 72% | 0.722 | 37% | 0.366 | S | S | * | . | trans | -61.6 | 142.3 | 177.5 | -64 | -177.4 | -178.4 | 178.5 | 0 | 111.3 | M251 T259 S260 | M251-K257 WeakPolarHBondContact CE-O 3.3Å; K257-T259 PolarHBondContact O-N 2.67Å; K257-S260 WeakPolarHBondContact O-CB 3.4Å; K257-S260 PolarHBondContact O-N 3.47Å; K257-S260 PolarHBondContact O-OG 2.95Å | ||
| 258 | M | 79.4 | Confident | 80.4 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 48% | 0.483 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.5 | 177.3 | -165.1 | 59.3 | 61.8 | 0 | 0 | 113.7 | I247 R248 M251 A263 | I247-M258 HydrophobicContact CG2-CE 4.18Å; I247-M258 HydrophobicContact CG2-SD 3.74Å; R248-M258 HydrophobicContact CB-CE 4.33Å; R248-M258 HydrophobicContact CG-CE 3.7Å; M251-M258 HydrophobicContact CB-CE 3.75Å; M251-M258 HydrophobicContact CG-CE 3.42Å; M251-M258 VanDerWaalsContact CG-CE 3.42Å; M251-M258 HydrophobicContact CG-SD 3.78Å; M258-A263 WeakPolarHBondContact O-CB 3.49Å; M258-A263 HydrophobicContact SD-CB 4.31Å |
| 259 | T | 78.5 | Confident | 80.1 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 80% | 0.798 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.1 | 175.9 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | K257 | K257-T259 PolarHBondContact O-N 2.67Š|
| 260 | S | 78.7 | Confident | 79.9 | Confident | 28 Ų | 28 | 71.6 Ų | 71.6 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -67.4 | 159.5 | -177.5 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | T256 K257 L262 A263 R264 | T256-S260 WeakPolarHBondContact CG2-OG 3.15Å; K257-S260 WeakPolarHBondContact O-CB 3.4Å; K257-S260 PolarHBondContact O-N 3.47Å; K257-S260 PolarHBondContact O-OG 2.95Å; S260-L262 PolarHBondContact O-N 3.04Å; S260-A263 WeakPolarHBondContact O-CB 3.27Å; S260-A263 PolarHBondContact O-N 2.85Å; S260-A263 WeakPolarHBondContact OG-CB 3.47Å; S260-A263 PolarHBondContact OG-N 3.4Å; S260-R264 PolarHBondContact O-N 3.43Å |
| 261 | Q | 79.2 | Confident | 79.9 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.5 | -33.9 | 172.4 | -172 | 178.2 | 15.2 | 0 | 0 | 112.2 | R264 R265 | Q261-R264 PolarHBondContact O-N 2.86Å; Q261-R265 WeakPolarHBondContact O-CG 3.4Å; Q261-R265 PolarHBondContact O-N 3.24Å |
| 262 | L | 77.1 | Confident | 79.9 | Confident | 45 Ų | 45 | 77.2 Ų | 77.2 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 175.6 | -177.9 | 62.8 | 0 | 0 | 0 | 111.1 | T256 S260 R264 R265 F266 T292 | T256-L262 HydrophobicContact CG2-CB 4.5Å; T256-L262 HydrophobicContact CG2-CD2 4.44Å; S260-L262 PolarHBondContact O-N 3.04Å; L262-R264 VanDerWaalsContact C-N 3.28Å; L262-R264 PolarHBondContact O-N 2.93Å; L262-R265 WeakPolarHBondContact O-CB 3.18Å; L262-R265 PolarHBondContact O-N 3.37Å; L262-R265 VanDerWaalsContact O-N 3.11Å; L262-F266 HydrophobicContact CD1-CE1 4.12Å; L262-F266 HydrophobicContact CD1-CE2 3.88Å; L262-F266 HydrophobicContact CD1-CZ 3.64Å; L262-F266 HydrophobicContact CD2-CE2 4.2Å; L262-F266 HydrophobicContact CG-CD2 4.27Å; L262-F266 HydrophobicContact CG-CE2 3.78Å; L262-F266 HydrophobicContact CG-CZ 4.08Å; L262-F266 PolarHBondContact O-N 3.39Å; L262-T292 HydrophobicContact CD1-CG2 4.5Å |
| 263 | A | 78.4 | Confident | 79.5 | Confident | 2 Ų | 2 | 78 Ų | 78 | 2% | 0.017 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | M251 M258 S260 R265 F266 K267 | M251-A263 HydrophobicContact CE-CB 3.5Å; M251-A263 HydrophobicContact CG-CB 4.32Å; M251-A263 VanDerWaalsContact SD-CA 3.57Å; M251-A263 HydrophobicContact SD-CB 3.59Å; M251-A263 VanDerWaalsContact SD-CB 3.59Å; M258-A263 WeakPolarHBondContact O-CB 3.49Å; M258-A263 HydrophobicContact SD-CB 4.31Å; S260-A263 WeakPolarHBondContact O-CB 3.27Å; S260-A263 PolarHBondContact O-N 2.85Å; S260-A263 WeakPolarHBondContact OG-CB 3.47Å; S260-A263 PolarHBondContact OG-N 3.4Å; A263-R265 PolarHBondContact O-N 2.8Å; A263-F266 PolarHBondContact O-N 2.9Å; A263-K267 WeakPolarHBondContact O-CB 3.36Å; A263-K267 PolarHBondContact O-N 3.43Å |
| 264 | R | 82.8 | Confident | 79.3 | Confident | 148 Ų | 148 | 81.6 Ų | 81.6 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 177.2 | -174.6 | 173.5 | 62.8 | -178.2 | -1 | 111.9 | S260 Q261 L262 K267 N268 | S260-R264 PolarHBondContact O-N 3.43Å; Q261-R264 PolarHBondContact O-N 2.86Å; L262-R264 VanDerWaalsContact C-N 3.28Å; L262-R264 PolarHBondContact O-N 2.93Å; R264-K267 PolarHBondContact O-N 3.12Å; R264-N268 WeakPolarHBondContact O-CB 3.13Å; R264-N268 PolarHBondContact O-N 2.76Å; R264-N268 PolarHBondContact O-OD1 2.81Å; R264-N268 VanDerWaalsContact O-OD1 3.04Å |
| 265 | R | 80.6 | Confident | 79.4 | Confident | 165 Ų | 165 | 85.2 Ų | 85.2 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.8 | -45.5 | 176 | -76.2 | 179 | 174 | 177.8 | 0.9 | 111.6 | Q261 L262 A263 N268 L269 | Q261-R265 WeakPolarHBondContact O-CG 3.4Å; Q261-R265 PolarHBondContact O-N 3.24Å; L262-R265 WeakPolarHBondContact O-CB 3.18Å; L262-R265 PolarHBondContact O-N 3.37Å; L262-R265 VanDerWaalsContact O-N 3.11Å; A263-R265 PolarHBondContact O-N 2.8Å; R265-N268 PolarHBondContact O-N 2.86Å; R265-L269 PolarHBondContact O-N 2.8Å |
| 266 | F | 81.6 | Confident | 79.7 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.1 | -74 | -18.7 | 0 | 0 | 0 | 113.1 | M251 L262 A263 N268 L269 L270 F285 L289 T292 | M251-F266 HydrophobicContact SD-CD2 4.06Å; L262-F266 HydrophobicContact CD1-CE1 4.12Å; L262-F266 HydrophobicContact CD1-CE2 3.88Å; L262-F266 HydrophobicContact CD1-CZ 3.64Å; L262-F266 HydrophobicContact CD2-CE2 4.2Å; L262-F266 HydrophobicContact CG-CD2 4.27Å; L262-F266 HydrophobicContact CG-CE2 3.78Å; L262-F266 HydrophobicContact CG-CZ 4.08Å; L262-F266 PolarHBondContact O-N 3.39Å; A263-F266 PolarHBondContact O-N 2.9Å; F266-N268 VanDerWaalsContact C-N 3.34Å; F266-N268 PolarHBondContact O-N 2.8Å; F266-L269 PolarHBondContact O-N 2.82Å; F266-L270 PolarHBondContact O-N 2.85Å; F266-L270 VanDerWaalsContact O-N 3.07Å; F266-F285 HydrophobicContact CB-CD2 4.34Å; F266-F285 HydrophobicContact CB-CE2 3.75Å; F266-F285 HydrophobicContact CD1-CD2 4.26Å; F266-F285 HydrophobicContact CD1-CE2 4.01Å; F266-F285 HydrophobicContact CD2-CE2 4.25Å; F266-F285 HydrophobicContact CG-CD2 4.38Å; F266-F285 AromaticContact CG-CE2 3.75Å; F266-F285 HydrophobicContact CG-CE2 3.75Å; F266-L289 HydrophobicContact CD2-CD2 4.35Å; F266-L289 HydrophobicContact CE1-CD2 3.78Å; F266-L289 HydrophobicContact CE1-CG 4.37Å; F266-L289 HydrophobicContact CE2-CD2 3.57Å; F266-L289 HydrophobicContact CZ-CD2 3.25Å; F266-L289 HydrophobicContact CZ-CG 4.28Å; F266-T292 HydrophobicContact CE1-CG2 4.34Å; F266-T292 HydrophobicContact CZ-CG2 4.23Å |
| 267 | K | 82.9 | Confident | 80.3 | Confident | 80 Ų | 80 | 78.3 Ų | 78.3 | 35% | 0.348 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 174.9 | -171.5 | -165.2 | 169.6 | -153.4 | 0 | 111.5 | I247 A263 R264 L269 L270 L271 E272 | I247-K267 HydrophobicContact CD1-CB 4.28Å; I247-K267 HydrophobicContact CD1-CG 4.41Å; A263-K267 WeakPolarHBondContact O-CB 3.36Å; A263-K267 PolarHBondContact O-N 3.43Å; R264-K267 PolarHBondContact O-N 3.12Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 3.36Å; K267-L270 PolarHBondContact O-N 2.87Å; K267-L271 HydrophobicContact CG-CD1 3.77Å; K267-L271 HydrophobicContact CG-CG 4.43Å; K267-L271 WeakPolarHBondContact O-CB 3.4Å; K267-L271 PolarHBondContact O-N 3.08Å; K267-E272 IonicContact NZ-OE1 3.69Å; K267-E272 PolarHBondContact NZ-OE1 2.59Å |
| 268 | N | 83.3 | Confident | 80.8 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -61.6 | -43.7 | 179 | -69.7 | 12.4 | 0 | 0 | 0 | 110.9 | R264 R265 F266 L270 E272 I273 | R264-N268 WeakPolarHBondContact O-CB 3.13Å; R264-N268 PolarHBondContact O-N 2.76Å; R264-N268 PolarHBondContact O-OD1 2.81Å; R264-N268 VanDerWaalsContact O-OD1 3.04Å; R265-N268 PolarHBondContact O-N 2.86Å; F266-N268 VanDerWaalsContact C-N 3.34Å; F266-N268 PolarHBondContact O-N 2.8Å; N268-L270 PolarHBondContact O-N 2.86Å; N268-E272 PolarHBondContact O-N 3.38Å; N268-E272 PolarHBondContact OD1-OE2 2.79Å; N268-E272 VanDerWaalsContact OD1-OE2 3.1Å; N268-I273 WeakPolarHBondContact O-CG1 3.45Å; N268-I273 PolarHBondContact O-N 2.88Å |
| 269 | L | 79.6 | Confident | 81.4 | Confident | 30 Ų | 30 | 67 Ų | 67 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -59.9 | -41.9 | 178.4 | -176.2 | 56.1 | 0 | 0 | 0 | 113 | R265 F266 K267 I273 L284 F285 A288 | R265-L269 PolarHBondContact O-N 2.8Å; F266-L269 PolarHBondContact O-N 2.82Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 3.36Å; L269-I273 HydrophobicContact CD1-CD1 3.65Å; L269-L284 HydrophobicContact CD1-CB 3.96Å; L269-L284 HydrophobicContact CD1-CD1 4.39Å; L269-F285 HydrophobicContact CD2-CB 4.16Å; L269-F285 HydrophobicContact CD2-CD2 4.47Å; L269-F285 HydrophobicContact CG-CB 4.31Å; L269-A288 HydrophobicContact CD2-CB 3.65Å |
| 270 | L | 82.9 | Confident | 82 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -86.8 | -45 | -176.2 | -80.6 | -179.4 | 0 | 0 | 0 | 114.9 | F243 I247 F266 K267 N268 F282 F285 | F243-L270 HydrophobicContact CB-CB 4.49Å; F243-L270 HydrophobicContact CD1-CB 3.97Å; F243-L270 HydrophobicContact CD1-CD1 3.97Å; F243-L270 HydrophobicContact CD1-CD2 3.42Å; F243-L270 VanDerWaalsContact CD1-CD2 3.42Å; F243-L270 HydrophobicContact CD1-CG 3.99Å; F243-L270 HydrophobicContact CE1-CD2 3.53Å; F243-L270 HydrophobicContact CG-CB 4.42Å; I247-L270 HydrophobicContact CD1-CB 4.34Å; I247-L270 HydrophobicContact CD1-CD1 3.95Å; I247-L270 HydrophobicContact CG1-CD1 3.49Å; I247-L270 VanDerWaalsContact CG1-CD1 3.49Å; F266-L270 PolarHBondContact O-N 2.85Å; F266-L270 VanDerWaalsContact O-N 3.07Å; K267-L270 PolarHBondContact O-N 2.87Å; N268-L270 PolarHBondContact O-N 2.86Å; L270-F282 HydrophobicContact CD2-CD2 4.31Å; L270-F285 HydrophobicContact CD1-CB 4.16Å; L270-F285 HydrophobicContact CD1-CD1 3.54Å; L270-F285 HydrophobicContact CD1-CD2 3.53Å; L270-F285 HydrophobicContact CD1-CE1 3.61Å; L270-F285 HydrophobicContact CD1-CE2 3.65Å; L270-F285 HydrophobicContact CD1-CG 3.46Å; L270-F285 VanDerWaalsContact CD1-CG 3.46Å; L270-F285 HydrophobicContact CD1-CZ 3.66Å; L270-F285 HydrophobicContact CD2-CB 3.21Å; L270-F285 HydrophobicContact CD2-CD1 3.89Å; L270-F285 HydrophobicContact CD2-CD2 4.19Å; L270-F285 HydrophobicContact CD2-CG 3.52Å; L270-F285 HydrophobicContact CG-CB 3.57Å; L270-F285 HydrophobicContact CG-CD1 3.96Å; L270-F285 HydrophobicContact CG-CD2 3.57Å; L270-F285 HydrophobicContact CG-CE1 4.49Å; L270-F285 HydrophobicContact CG-CE2 4.19Å; L270-F285 HydrophobicContact CG-CG 3.42Å; L270-F285 VanDerWaalsContact CG-CG 3.42Å |
| 271 | L | 83.2 | Confident | 82.5 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -101.2 | -33.5 | -168.3 | -62.5 | 179.6 | 0 | 0 | 0 | 113.3 | R240 F243 H244 I247 K267 | R240-L271 HydrophobicContact CG-CD2 4.19Å; F243-L271 HydrophobicContact CB-CD2 3.46Å; F243-L271 VanDerWaalsContact CB-CD2 3.46Å; F243-L271 HydrophobicContact CB-CG 4.41Å; F243-L271 HydrophobicContact CD2-CD2 4.16Å; F243-L271 HydrophobicContact CG-CD2 4.04Å; H244-L271 WeakPolarHBondContact NE2-CD1 3.48Å; I247-L271 HydrophobicContact CD1-CD1 4.32Å; I247-L271 HydrophobicContact CD1-CG 4.43Å; K267-L271 HydrophobicContact CG-CD1 3.77Å; K267-L271 HydrophobicContact CG-CG 4.43Å; K267-L271 WeakPolarHBondContact O-CB 3.4Å; K267-L271 PolarHBondContact O-N 3.08Å |
| 272 | E | 80.2 | Confident | 83.1 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -106.9 | -29.8 | -165.3 | -56.4 | -176.7 | -176.8 | 0 | 0 | 113.3 | K267 N268 K274 | K267-E272 IonicContact NZ-OE1 3.69Å; K267-E272 PolarHBondContact NZ-OE1 2.59Å; N268-E272 PolarHBondContact O-N 3.38Å; N268-E272 PolarHBondContact OD1-OE2 2.79Å; N268-E272 VanDerWaalsContact OD1-OE2 3.1Å; E272-K274 PolarHBondContact O-N 2.95Å |
| 273 | I | 74.6 | Confident | 83.7 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 32% | 0.323 | 27% | 0.268 | S | S | . | . | trans | -59.4 | 123.3 | 170.4 | -71.3 | -179.3 | 0 | 0 | 0 | 108.5 | N268 L269 V275 R281 | N268-I273 WeakPolarHBondContact O-CG1 3.45Å; N268-I273 PolarHBondContact O-N 2.88Å; L269-I273 HydrophobicContact CD1-CD1 3.65Å; I273-V275 HydrophobicContact CG2-CB 4.06Å; I273-R281 WeakPolarHBondContact O-CD 3.27Å; I273-R281 PolarHBondContact O-NH1 3.46Å | ||
| 274 | K | 75.7 | Confident | 84.1 | Confident | 198 Ų | 198 | 58.8 Ų | 58.8 | 86% | 0.861 | 28% | 0.281 | S | S | * | . | trans | -92.2 | -2.7 | -178.6 | -62.6 | -173.1 | -180 | 179.2 | 0 | 113.5 | E272 | E272-K274 PolarHBondContact O-N 2.95Š| ||
| 275 | V | 76.4 | Confident | 84.3 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 64% | 0.642 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -86.2 | 131.4 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | I273 R281 | I273-V275 HydrophobicContact CG2-CB 4.06Å; V275-R281 WeakPolarHBondContact O-CG 3.49Å |
| 276 | G | 81.9 | Confident | 84.6 | Confident | 38 Ų | 38 | 46 Ų | 46 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 80.8 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 277 | T | 88.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | trans | -72.5 | 160.6 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | R124 Y126 F188 E210 G279 Y280 R281 | R124-T277 VanDerWaalsContact NH1-CG2 3.3Å; Y126-T277 WeakPolarHBondContact OH-CB 3.26Å; Y126-T277 PolarHBondContact OH-OG1 2.68Å; F188-T277 HydrophobicContact CE1-CG2 4.42Å; F188-T277 HydrophobicContact CZ-CG2 4.14Å; E210-T277 PolarHBondContact OE1-OG1 3.5Å; T277-G279 PolarHBondContact O-N 3.02Å; T277-Y280 PolarHBondContact O-N 2.98Å; T277-Y280 PolarHBondContact OG1-N 2.84Å; T277-Y280 VanDerWaalsContact OG1-N 3.15Å; T277-R281 WeakPolarHBondContact O-CG 3.31Å; T277-R281 PolarHBondContact O-N 2.58Å; T277-R281 PolarHBondContact O-NE 3.07Å | ||
| 278 | P | 90.3 | Very high | 84.4 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -49.3 | -39 | 169.7 | -26.6 | 32.5 | 0 | 0 | 0 | 113.1 | Y126 F238 F243 R281 F282 | Y126-P278 HydrophobicContact CE2-CB 4.1Å; Y126-P278 WeakPolarHBondContact OH-CD 3.31Å; F238-P278 HydrophobicContact CB-CB 4.06Å; F243-P278 HydrophobicContact CE2-CB 4.2Å; F243-P278 HydrophobicContact CZ-CB 4.04Å; F243-P278 WeakPolarHBondContact CZ-O 3.39Å; P278-R281 PolarHBondContact O-N 3.27Å; P278-F282 PolarHBondContact O-N 2.89Å |
| 279 | G | 92.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y126 Y140 T277 R281 F282 M283 | Y126-G279 PolarHBondContact OH-N 3.07Å; Y140-G279 WeakPolarHBondContact OH-CA 3.11Å; Y140-G279 PolarHBondContact OH-O 3.16Å; Y140-G279 VanDerWaalsContact OH-O 3.12Å; T277-G279 PolarHBondContact O-N 3.02Å; G279-R281 VanDerWaalsContact C-N 3.32Å; G279-R281 PolarHBondContact O-N 2.99Å; G279-F282 WeakPolarHBondContact O-CB 3.48Å; G279-F282 PolarHBondContact O-N 2.83Å; G279-M283 PolarHBondContact O-N 3.08Å |
| 280 | Y | 90.8 | Very high | 83.2 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 173.7 | -177.5 | -100.8 | 0 | 0 | 0 | 112.5 | F188 L208 T277 F282 M283 L284 | F188-Y280 HydrophobicContact CB-CD2 3.88Å; F188-Y280 HydrophobicContact CB-CE2 3.97Å; F188-Y280 AromaticContact CD1-CD2 3.86Å; F188-Y280 HydrophobicContact CD1-CD2 3.86Å; F188-Y280 HydrophobicContact CD1-CE2 4.35Å; F188-Y280 HydrophobicContact CD1-CG 4.28Å; F188-Y280 HydrophobicContact CG-CD2 4.11Å; L208-Y280 HydrophobicContact CD2-CD2 3.78Å; L208-Y280 HydrophobicContact CD2-CE2 4Å; T277-Y280 PolarHBondContact O-N 2.98Å; T277-Y280 PolarHBondContact OG1-N 2.84Å; T277-Y280 VanDerWaalsContact OG1-N 3.15Å; Y280-F282 VanDerWaalsContact C-N 3.33Å; Y280-F282 PolarHBondContact O-N 2.78Å; Y280-M283 WeakPolarHBondContact O-CB 3.36Å; Y280-M283 PolarHBondContact O-N 3.12Å; Y280-L284 HydrophobicContact CD1-CD1 4.02Å; Y280-L284 HydrophobicContact CD1-CG 4.3Å; Y280-L284 HydrophobicContact CE1-CD1 3.48Å; Y280-L284 VanDerWaalsContact CE1-CD1 3.48Å; Y280-L284 HydrophobicContact CE1-CD2 4.36Å; Y280-L284 HydrophobicContact CE1-CG 3.89Å; Y280-L284 PolarHBondContact O-N 3.46Å |
| 281 | R | 89.6 | Confident | 82.1 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 18% | 0.177 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 176.3 | -70.4 | -179.6 | -76.8 | 171 | -2.1 | 112.1 | I273 V275 T277 P278 G279 L284 F285 | I273-R281 WeakPolarHBondContact O-CD 3.27Å; I273-R281 PolarHBondContact O-NH1 3.46Å; V275-R281 WeakPolarHBondContact O-CG 3.49Å; T277-R281 WeakPolarHBondContact O-CG 3.31Å; T277-R281 PolarHBondContact O-N 2.58Å; T277-R281 PolarHBondContact O-NE 3.07Å; P278-R281 PolarHBondContact O-N 3.27Å; G279-R281 VanDerWaalsContact C-N 3.32Å; G279-R281 PolarHBondContact O-N 2.99Å; R281-L284 PolarHBondContact O-N 3.31Å; R281-F285 PolarHBondContact O-N 2.87Å |
| 282 | F | 91.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 173.1 | -175 | -118.6 | 0 | 0 | 0 | 112.4 | L137 P138 Y140 F238 F242 F243 Q246 L270 P278 G279 Y280 L284 F285 R286 | L137-F282 HydrophobicContact CB-CZ 4.28Å; P138-F282 WeakPolarHBondContact O-CE1 3.27Å; P138-F282 VanDerWaalsContact O-CZ 3.26Å; P138-F282 WeakPolarHBondContact O-CZ 3.32Å; Y140-F282 HydrophobicContact CE2-CD1 4.01Å; Y140-F282 AromaticContact CZ-CD1 3.91Å; F238-F282 HydrophobicContact CD2-CB 4.12Å; F238-F282 HydrophobicContact CD2-CG 4.46Å; F238-F282 HydrophobicContact CE2-CB 3.56Å; F238-F282 AromaticContact CE2-CD1 3.48Å; F238-F282 HydrophobicContact CE2-CD1 3.48Å; F238-F282 VanDerWaalsContact CE2-CD1 3.48Å; F238-F282 HydrophobicContact CE2-CD2 4.48Å; F238-F282 HydrophobicContact CE2-CE1 4.27Å; F238-F282 AromaticContact CE2-CG 3.58Å; F238-F282 HydrophobicContact CE2-CG 3.58Å; F238-F282 AromaticContact CZ-CD1 3.72Å; F238-F282 HydrophobicContact CZ-CD1 3.72Å; F238-F282 HydrophobicContact CZ-CE1 4.07Å; F238-F282 HydrophobicContact CZ-CG 4.19Å; F242-F282 AromaticContact CE1-CD2 3.8Å; F242-F282 HydrophobicContact CE1-CD2 3.8Å; F242-F282 AromaticContact CE1-CE2 3.89Å; F242-F282 HydrophobicContact CE1-CE2 3.89Å; F242-F282 HydrophobicContact CE1-CG 4.18Å; F242-F282 HydrophobicContact CE1-CZ 4.28Å; F242-F282 HydrophobicContact CZ-CD2 4.28Å; F242-F282 HydrophobicContact CZ-CE1 4.24Å; F242-F282 AromaticContact CZ-CE2 3.97Å; F242-F282 HydrophobicContact CZ-CE2 3.97Å; F242-F282 AromaticContact CZ-CZ 3.92Å; F242-F282 HydrophobicContact CZ-CZ 3.92Å; F243-F282 HydrophobicContact CE1-CB 3.89Å; F243-F282 HydrophobicContact CE1-CD2 4.22Å; F243-F282 HydrophobicContact CE1-CG 4.46Å; Q246-F282 HydrophobicContact CB-CE2 4.28Å; Q246-F282 HydrophobicContact CG-CE2 3.77Å; Q246-F282 HydrophobicContact CG-CZ 4.47Å; L270-F282 HydrophobicContact CD2-CD2 4.31Å; P278-F282 PolarHBondContact O-N 2.89Å; G279-F282 WeakPolarHBondContact O-CB 3.48Å; G279-F282 PolarHBondContact O-N 2.83Å; Y280-F282 VanDerWaalsContact C-N 3.33Å; Y280-F282 PolarHBondContact O-N 2.78Å; F282-L284 PolarHBondContact O-N 3.06Å; F282-F285 HydrophobicContact CD2-CD1 4.24Å; F282-F285 HydrophobicContact CE2-CD1 4.21Å; F282-F285 WeakPolarHBondContact O-CB 3.32Å; F282-F285 PolarHBondContact O-N 2.87Å; F282-R286 HydrophobicContact CD1-CG 4.44Å; F282-R286 HydrophobicContact CE1-CG 4.06Å; F282-R286 HydrophobicContact CE2-CG 4.28Å; F282-R286 HydrophobicContact CZ-CG 3.96Å; F282-R286 PolarHBondContact O-N 2.96Å |
| 283 | M | 90.8 | Very high | 79.4 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 176.1 | -171.1 | 57.5 | -171.8 | 0 | 0 | 111.1 | Y114 Y140 F193 M206 L208 G279 Y280 F285 R286 T287 | Y114-M283 HydrophobicContact CD1-CE 4.32Å; Y114-M283 HydrophobicContact CD2-CE 3.95Å; Y114-M283 HydrophobicContact CE1-CE 4.26Å; Y114-M283 HydrophobicContact CE2-CE 3.86Å; Y114-M283 HydrophobicContact CG-CE 4.16Å; Y140-M283 HydrophobicContact CD2-SD 4.15Å; Y140-M283 HydrophobicContact CE2-CB 4.17Å; Y140-M283 HydrophobicContact CE2-SD 4.44Å; F193-M283 HydrophobicContact CE2-CE 3.77Å; F193-M283 HydrophobicContact CZ-CE 4.09Å; M206-M283 HydrophobicContact CE-CE 4.16Å; M206-M283 HydrophobicContact SD-CE 3.55Å; M206-M283 VanDerWaalsContact SD-CE 3.55Å; L208-M283 HydrophobicContact CD1-CG 4.12Å; L208-M283 HydrophobicContact CD2-CB 4.23Å; L208-M283 HydrophobicContact CD2-CG 3.84Å; G279-M283 PolarHBondContact O-N 3.08Å; Y280-M283 WeakPolarHBondContact O-CB 3.36Å; Y280-M283 PolarHBondContact O-N 3.12Å; M283-F285 VanDerWaalsContact C-N 3.29Å; M283-F285 PolarHBondContact O-N 2.59Å; M283-R286 WeakPolarHBondContact O-CB 3.3Å; M283-R286 PolarHBondContact O-N 3.13Å; M283-R286 VanDerWaalsContact O-N 3.17Å; M283-T287 HydrophobicContact CE-CG2 3.98Å; M283-T287 HydrophobicContact CG-CG2 4.48Å; M283-T287 VanDerWaalsContact O-CG2 3.23Å; M283-T287 WeakPolarHBondContact O-CG2 3.15Å; M283-T287 PolarHBondContact O-N 2.02Å |
| 284 | L | 86.6 | Confident | 78.1 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 28% | 0.283 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 175.3 | -70.4 | -178.3 | 0 | 0 | 0 | 112.1 | L269 Y280 R281 F282 T287 A288 | L269-L284 HydrophobicContact CD1-CB 3.96Å; L269-L284 HydrophobicContact CD1-CD1 4.39Å; Y280-L284 HydrophobicContact CD1-CD1 4.02Å; Y280-L284 HydrophobicContact CD1-CG 4.3Å; Y280-L284 HydrophobicContact CE1-CD1 3.48Å; Y280-L284 VanDerWaalsContact CE1-CD1 3.48Å; Y280-L284 HydrophobicContact CE1-CD2 4.36Å; Y280-L284 HydrophobicContact CE1-CG 3.89Å; Y280-L284 PolarHBondContact O-N 3.46Å; R281-L284 PolarHBondContact O-N 3.31Å; F282-L284 PolarHBondContact O-N 3.06Å; L284-T287 PolarHBondContact O-N 3.27Å; L284-T287 PolarHBondContact O-OG1 2.87Å; L284-A288 WeakPolarHBondContact O-CB 3.35Å; L284-A288 PolarHBondContact O-N 2.89Å |
| 285 | F | 85.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 174.6 | 172.3 | -105.4 | 0 | 0 | 0 | 113.2 | L137 Q246 I247 Q250 F266 L269 L270 R281 F282 M283 T287 A288 L289 | L137-F285 HydrophobicContact CD1-CD1 3.88Å; L137-F285 HydrophobicContact CD1-CE1 3.5Å; L137-F285 HydrophobicContact CD1-CZ 4.46Å; L137-F285 HydrophobicContact CD2-CE1 4.17Å; Q246-F285 HydrophobicContact CB-CE1 4.03Å; I247-F285 HydrophobicContact CG1-CZ 4.43Å; Q250-F285 HydrophobicContact CB-CZ 4.39Å; Q250-F285 HydrophobicContact CG-CE1 4.2Å; Q250-F285 HydrophobicContact CG-CZ 3.73Å; F266-F285 HydrophobicContact CB-CD2 4.34Å; F266-F285 HydrophobicContact CB-CE2 3.75Å; F266-F285 HydrophobicContact CD1-CD2 4.26Å; F266-F285 HydrophobicContact CD1-CE2 4.01Å; F266-F285 HydrophobicContact CD2-CE2 4.25Å; F266-F285 HydrophobicContact CG-CD2 4.38Å; F266-F285 AromaticContact CG-CE2 3.75Å; F266-F285 HydrophobicContact CG-CE2 3.75Å; L269-F285 HydrophobicContact CD2-CB 4.16Å; L269-F285 HydrophobicContact CD2-CD2 4.47Å; L269-F285 HydrophobicContact CG-CB 4.31Å; L270-F285 HydrophobicContact CD1-CB 4.16Å; L270-F285 HydrophobicContact CD1-CD1 3.54Å; L270-F285 HydrophobicContact CD1-CD2 3.53Å; L270-F285 HydrophobicContact CD1-CE1 3.61Å; L270-F285 HydrophobicContact CD1-CE2 3.65Å; L270-F285 HydrophobicContact CD1-CG 3.46Å; L270-F285 VanDerWaalsContact CD1-CG 3.46Å; L270-F285 HydrophobicContact CD1-CZ 3.66Å; L270-F285 HydrophobicContact CD2-CB 3.21Å; L270-F285 HydrophobicContact CD2-CD1 3.89Å; L270-F285 HydrophobicContact CD2-CD2 4.19Å; L270-F285 HydrophobicContact CD2-CG 3.52Å; L270-F285 HydrophobicContact CG-CB 3.57Å; L270-F285 HydrophobicContact CG-CD1 3.96Å; L270-F285 HydrophobicContact CG-CD2 3.57Å; L270-F285 HydrophobicContact CG-CE1 4.49Å; L270-F285 HydrophobicContact CG-CE2 4.19Å; L270-F285 HydrophobicContact CG-CG 3.42Å; L270-F285 VanDerWaalsContact CG-CG 3.42Å; R281-F285 PolarHBondContact O-N 2.87Å; F282-F285 HydrophobicContact CD2-CD1 4.24Å; F282-F285 HydrophobicContact CE2-CD1 4.21Å; F282-F285 WeakPolarHBondContact O-CB 3.32Å; F282-F285 PolarHBondContact O-N 2.87Å; M283-F285 VanDerWaalsContact C-N 3.29Å; M283-F285 PolarHBondContact O-N 2.59Å; F285-T287 VanDerWaalsContact C-N 3.32Å; F285-T287 PolarHBondContact O-N 3.27Å; F285-A288 PolarHBondContact O-N 3.33Å; F285-L289 HydrophobicContact CD1-CD1 3.93Å; F285-L289 HydrophobicContact CD2-CD1 4.33Å; F285-L289 HydrophobicContact CE1-CD1 3.62Å; F285-L289 HydrophobicContact CE2-CD1 4.01Å; F285-L289 HydrophobicContact CE2-CG 4.4Å; F285-L289 HydrophobicContact CG-CD1 4.31Å; F285-L289 HydrophobicContact CZ-CD1 3.67Å; F285-L289 HydrophobicContact CZ-CG 4.49Å; F285-L289 WeakPolarHBondContact O-CD1 3.26Å; F285-L289 WeakPolarHBondContact O-CG 2.93Å; F285-L289 PolarHBondContact O-N 2.88Å |
| 286 | R | 86.7 | Confident | 74.4 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -46.9 | 173.1 | -73.1 | -177.8 | 65.4 | 75 | 7 | 111.5 | L137 P138 D139 F282 M283 L289 A290 | L137-R286 HydrophobicContact CB-CG 4.48Å; L137-R286 HydrophobicContact CD1-CG 4Å; L137-R286 PolarHBondContact O-NH1 2.7Å; P138-R286 VanDerWaalsContact C-NH1 3.31Å; P138-R286 PolarHBondContact O-NH1 3.42Å; D139-R286 IonicContact OD1-CZ 2.76Å; D139-R286 IonicContact OD1-NE 3.57Å; D139-R286 PolarHBondContact OD1-NE 3.27Å; D139-R286 IonicContact OD1-NH2 3.65Å; D139-R286 PolarHBondContact OD1-NH2 2.85Å; D139-R286 IonicContact OD2-CZ 3.44Å; D139-R286 IonicContact OD2-NE 3.63Å; D139-R286 IonicContact OD2-NH2 2.85Å; D139-R286 PolarHBondContact OD2-NH2 3.16Å; F282-R286 HydrophobicContact CD1-CG 4.44Å; F282-R286 HydrophobicContact CE1-CG 4.06Å; F282-R286 HydrophobicContact CE2-CG 4.28Å; F282-R286 HydrophobicContact CZ-CG 3.96Å; F282-R286 PolarHBondContact O-N 2.96Å; M283-R286 WeakPolarHBondContact O-CB 3.3Å; M283-R286 PolarHBondContact O-N 3.13Å; M283-R286 VanDerWaalsContact O-N 3.17Å; R286-L289 WeakPolarHBondContact O-CB 3.44Å; R286-L289 PolarHBondContact O-N 2.88Å; R286-A290 PolarHBondContact O-N 3.13Å |
| 287 | T | 81.8 | Confident | 72 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 20% | 0.202 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -179.6 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | F193 M283 L284 F285 L289 A290 V291 | F193-T287 HydrophobicContact CD2-CG2 4.28Å; F193-T287 HydrophobicContact CE2-CG2 3.45Å; F193-T287 VanDerWaalsContact CE2-CG2 3.45Å; F193-T287 HydrophobicContact CZ-CG2 4.26Å; M283-T287 HydrophobicContact CE-CG2 3.98Å; M283-T287 HydrophobicContact CG-CG2 4.48Å; M283-T287 VanDerWaalsContact O-CG2 3.23Å; M283-T287 WeakPolarHBondContact O-CG2 3.15Å; M283-T287 PolarHBondContact O-N 2.02Å; L284-T287 PolarHBondContact O-N 3.27Å; L284-T287 PolarHBondContact O-OG1 2.87Å; F285-T287 VanDerWaalsContact C-N 3.32Å; F285-T287 PolarHBondContact O-N 3.27Å; T287-L289 PolarHBondContact O-N 2.86Å; T287-A290 PolarHBondContact O-N 3.03Å; T287-V291 PolarHBondContact O-N 3.12Å |
| 288 | A | 78.4 | Confident | 69.1 | Low | 29 Ų | 29 | 37.3 Ų | 37.3 | 24% | 0.24 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -32.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L269 L284 F285 V291 T292 | L269-A288 HydrophobicContact CD2-CB 3.65Å; L284-A288 WeakPolarHBondContact O-CB 3.35Å; L284-A288 PolarHBondContact O-N 2.89Å; F285-A288 PolarHBondContact O-N 3.33Å; A288-V291 WeakPolarHBondContact O-CB 3.38Å; A288-V291 PolarHBondContact O-N 3.14Å; A288-T292 PolarHBondContact O-N 3.04Å; A288-T292 PolarHBondContact O-OG1 3.36Å |
| 289 | L | 71.6 | Confident | 66.1 | Low | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.6 | -41 | 177.2 | -69.5 | 160.6 | 0 | 0 | 0 | 113.1 | L137 Q250 F266 F285 R286 T287 V291 T292 S293 | L137-L289 HydrophobicContact CD1-CD1 3.27Å; L137-L289 HydrophobicContact CG-CD1 4.47Å; Q250-L289 HydrophobicContact CB-CD2 4.07Å; Q250-L289 HydrophobicContact CG-CD1 3.6Å; Q250-L289 HydrophobicContact CG-CD2 3.83Å; Q250-L289 HydrophobicContact CG-CG 4.38Å; F266-L289 HydrophobicContact CD2-CD2 4.35Å; F266-L289 HydrophobicContact CE1-CD2 3.78Å; F266-L289 HydrophobicContact CE1-CG 4.37Å; F266-L289 HydrophobicContact CE2-CD2 3.57Å; F266-L289 HydrophobicContact CZ-CD2 3.25Å; F266-L289 HydrophobicContact CZ-CG 4.28Å; F285-L289 HydrophobicContact CD1-CD1 3.93Å; F285-L289 HydrophobicContact CD2-CD1 4.33Å; F285-L289 HydrophobicContact CE1-CD1 3.62Å; F285-L289 HydrophobicContact CE2-CD1 4.01Å; F285-L289 HydrophobicContact CE2-CG 4.4Å; F285-L289 HydrophobicContact CG-CD1 4.31Å; F285-L289 HydrophobicContact CZ-CD1 3.67Å; F285-L289 HydrophobicContact CZ-CG 4.49Å; F285-L289 WeakPolarHBondContact O-CD1 3.26Å; F285-L289 WeakPolarHBondContact O-CG 2.93Å; F285-L289 PolarHBondContact O-N 2.88Å; R286-L289 WeakPolarHBondContact O-CB 3.44Å; R286-L289 PolarHBondContact O-N 2.88Å; T287-L289 PolarHBondContact O-N 2.86Å; L289-V291 PolarHBondContact O-N 3.06Å; L289-T292 VanDerWaalsContact CA-OG1 3.31Å; L289-T292 WeakPolarHBondContact CA-OG1 3.28Å; L289-T292 PolarHBondContact O-N 2.78Å; L289-T292 PolarHBondContact O-OG1 2.96Å; L289-S293 PolarHBondContact O-N 3.13Å; L289-S293 PolarHBondContact O-OG 3Å |
| 290 | A | 66.3 | Low | 63 | Low | 34 Ų | 34 | 44.3 Ų | 44.3 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.9 | -38.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | R286 T287 I294 | R286-A290 PolarHBondContact O-N 3.13Å; T287-A290 PolarHBondContact O-N 3.03Å; A290-I294 VanDerWaalsContact O-CD1 3.31Å; A290-I294 WeakPolarHBondContact O-CD1 3.35Å; A290-I294 VanDerWaalsContact O-CG1 3.25Å; A290-I294 WeakPolarHBondContact O-CG1 3.01Å; A290-I294 PolarHBondContact O-N 3.29Å |
| 291 | V | 59.8 | Low | 60 | Low | 72 Ų | 72 | 49.8 Ų | 49.8 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 174.3 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | T194 T287 A288 L289 I294 A295 | T194-V291 HydrophobicContact CG2-CG2 3.8Å; T287-V291 PolarHBondContact O-N 3.12Å; A288-V291 WeakPolarHBondContact O-CB 3.38Å; A288-V291 PolarHBondContact O-N 3.14Å; L289-V291 PolarHBondContact O-N 3.06Å; V291-I294 WeakPolarHBondContact O-CB 3.41Å; V291-I294 PolarHBondContact O-N 3.18Å; V291-A295 PolarHBondContact O-N 3.04Å |
| 292 | T | 55.7 | Low | 57.1 | Low | 32 Ų | 32 | 53.6 Ų | 53.6 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.8 | -32.2 | -178.9 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | L262 F266 A288 L289 I294 A295 I296 | L262-T292 HydrophobicContact CD1-CG2 4.5Å; F266-T292 HydrophobicContact CE1-CG2 4.34Å; F266-T292 HydrophobicContact CZ-CG2 4.23Å; A288-T292 PolarHBondContact O-N 3.04Å; A288-T292 PolarHBondContact O-OG1 3.36Å; L289-T292 VanDerWaalsContact CA-OG1 3.31Å; L289-T292 WeakPolarHBondContact CA-OG1 3.28Å; L289-T292 PolarHBondContact O-N 2.78Å; L289-T292 PolarHBondContact O-OG1 2.96Å; T292-I294 VanDerWaalsContact C-N 3.26Å; T292-I294 PolarHBondContact O-N 3.07Å; T292-A295 CarbonylContact O-C 3.57Å; T292-A295 WeakPolarHBondContact O-CA 3.37Å; T292-A295 WeakPolarHBondContact O-CB 3.42Å; T292-A295 PolarHBondContact O-N 3.02Å; T292-I296 WeakPolarHBondContact O-CG1 3.36Å; T292-I296 PolarHBondContact O-N 3.21Å |
| 293 | S | 52.1 | Low | 55.4 | Low | 56 Ų | 56 | 56.3 Ų | 56.3 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.4 | -32.8 | 173.7 | -67 | 0 | 0 | 0 | 0 | 111.5 | L289 A295 G297 | L289-S293 PolarHBondContact O-N 3.13Å; L289-S293 PolarHBondContact O-OG 3Å; S293-A295 VanDerWaalsContact C-N 3.29Å; S293-A295 PolarHBondContact O-N 3Å; S293-G297 PolarHBondContact O-N 3.46Å |
| 294 | I | 46 | Very low | 53.5 | Low | 85 Ų | 85 | 59.1 Ų | 59.1 | 44% | 0.436 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 168.7 | -65.6 | 164.4 | 0 | 0 | 0 | 110.8 | T194 A290 V291 T292 A298 | T194-I294 HydrophobicContact CG2-CD1 4.09Å; A290-I294 VanDerWaalsContact O-CD1 3.31Å; A290-I294 WeakPolarHBondContact O-CD1 3.35Å; A290-I294 VanDerWaalsContact O-CG1 3.25Å; A290-I294 WeakPolarHBondContact O-CG1 3.01Å; A290-I294 PolarHBondContact O-N 3.29Å; V291-I294 WeakPolarHBondContact O-CB 3.41Å; V291-I294 PolarHBondContact O-N 3.18Å; T292-I294 VanDerWaalsContact C-N 3.26Å; T292-I294 PolarHBondContact O-N 3.07Å; I294-A298 PolarHBondContact O-N 2.8Å |
| 295 | A | 40.6 | Very low | 51.7 | Low | 61 Ų | 61 | 59.3 Ų | 59.3 | 50% | 0.504 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -76.2 | -37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V291 T292 S293 A298 A299 | V291-A295 PolarHBondContact O-N 3.04Å; T292-A295 CarbonylContact O-C 3.57Å; T292-A295 WeakPolarHBondContact O-CA 3.37Å; T292-A295 WeakPolarHBondContact O-CB 3.42Å; T292-A295 PolarHBondContact O-N 3.02Å; S293-A295 VanDerWaalsContact C-N 3.29Å; S293-A295 PolarHBondContact O-N 3Å; A295-A298 PolarHBondContact O-N 2.85Å; A295-A299 PolarHBondContact O-N 3.2Å; A295-A299 VanDerWaalsContact O-N 3.13Å |
| 296 | I | 35 | Very low | 49.7 | Very low | 66 Ų | 66 | 62.8 Ų | 62.8 | 34% | 0.338 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74.6 | -40.5 | 178.7 | -66 | 168.9 | 0 | 0 | 0 | 110.3 | T292 A298 A299 T300 | T292-I296 WeakPolarHBondContact O-CG1 3.36Å; T292-I296 PolarHBondContact O-N 3.21Å; I296-A298 PolarHBondContact O-N 3.36Å; I296-A299 CarbonylContact O-C 3.57Å; I296-A299 WeakPolarHBondContact O-CA 3.29Å; I296-A299 PolarHBondContact O-N 3.08Å; I296-T300 HydrophobicContact CG2-CG2 4.1Å; I296-T300 PolarHBondContact O-N 3.26Å; I296-T300 PolarHBondContact O-OG1 2.93Å |
| 297 | G | 31.3 | Very low | 47.4 | Very low | 33 Ų | 33 | 63.9 Ų | 63.9 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -29.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S293 L301 | S293-G297 PolarHBondContact O-N 3.46Å; G297-L301 WeakPolarHBondContact O-CD1 3.39Å |
| 298 | A | 28.2 | Very low | 45.1 | Very low | 50 Ų | 50 | 65.9 Ų | 65.9 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.7 | -32.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I294 A295 I296 | I294-A298 PolarHBondContact O-N 2.8Å; A295-A298 PolarHBondContact O-N 2.85Å; I296-A298 PolarHBondContact O-N 3.36Å |
| 299 | A | 26.3 | Very low | 42.7 | Very low | 73 Ų | 73 | 68.6 Ų | 68.6 | 60% | 0.603 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -80.2 | -23.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | A295 I296 | A295-A299 PolarHBondContact O-N 3.2Å; A295-A299 VanDerWaalsContact O-N 3.13Å; I296-A299 CarbonylContact O-C 3.57Å; I296-A299 WeakPolarHBondContact O-CA 3.29Å; I296-A299 PolarHBondContact O-N 3.08Å |
| 300 | T | 27 | Very low | 40.5 | Very low | 101 Ų | 101 | 73 Ų | 73 | 62% | 0.62 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.4 | 179.6 | 54 | 0 | 0 | 0 | 0 | 114 | I296 | I296-T300 HydrophobicContact CG2-CG2 4.1Å; I296-T300 PolarHBondContact O-N 3.26Å; I296-T300 PolarHBondContact O-OG1 2.93Å |
| 301 | L | 29 | Very low | 38.3 | Very low | 159 Ų | 159 | 76.3 Ų | 76.3 | 83% | 0.832 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 9.9 | 177.6 | -72.7 | 172.5 | 0 | 0 | 0 | 113.4 | G297 | G297-L301 WeakPolarHBondContact O-CD1 3.39Š|
| 302 | G | 29.1 | Very low | 36.4 | Very low | 127 Ų | 127 | 76.6 Ų | 76.6 | 100% | 1.309 | 54% | 0.544 | S | S | * | . | trans | -112.5 | 0 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 302 of 302 residues in 260.7 ms
(Link to these results)