| 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 | 47 | Very low | 62.3 | Low | 246 Ų | 246 | 181.2 Ų | 181.2 | 100% | 1.212 | 87% | 0.871 | S | S | * | * | 0 | 119.9 | 0 | -71.7 | -70.5 | -93.8 | 0 | 0 | 108.8 | |||||
| 2 | G | 52.6 | Low | 62.9 | Low | 73 Ų | 73 | 176.5 Ų | 176.5 | 75% | 0.753 | 87% | 0.866 | S | S | * | * | trans | -71.5 | 146 | -149.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | R4 | G2-R4 PolarHBondContact O-N 3.13Š| ||
| 3 | R | 58.5 | Low | 63.3 | Low | 253 Ų | 253 | 178.2 Ų | 178.2 | 96% | 0.955 | 87% | 0.866 | S | S | * | * | trans | -61.5 | 108.3 | 168.2 | -82.1 | 174.7 | 156.3 | -163.8 | -5.6 | 110 | K5 | R3-K5 PolarHBondContact O-N 3.2Å; R3-K5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | R | 62.1 | Low | 63.4 | Low | 246 Ų | 246 | 180 Ų | 180 | 93% | 0.928 | 87% | 0.867 | S | S | * | * | trans | -70.6 | 104.4 | 172.3 | -67.7 | -179.4 | -178.9 | -177.5 | -0 | 109 | G2 S6 | G2-R4 PolarHBondContact O-N 3.13Å; R4-S6 PolarHBondContact O-N 3.32Å | ||
| 5 | K | 60.2 | Low | 63.2 | Low | 202 Ų | 202 | 181.5 Ų | 181.5 | 88% | 0.878 | 87% | 0.868 | S | S | * | * | trans | -61.3 | 119.8 | 168.2 | -82.1 | 179.8 | 175.2 | 176.5 | 0 | 108.3 | R3 K7 | R3-K5 PolarHBondContact O-N 3.2Å; R3-K5 VanDerWaalsContact O-N 3.13Å; K5-K7 PolarHBondContact O-N 3.28Å | ||
| 6 | S | 63.9 | Low | 63 | Low | 104 Ų | 104 | 180.9 Ų | 180.9 | 73% | 0.727 | 87% | 0.867 | S | S | * | * | trans | -59.6 | 126 | 171.3 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | R4 R8 | R4-S6 PolarHBondContact O-N 3.32Å; S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 3.23Å | ||
| 7 | K | 64.1 | Low | 62.5 | Low | 214 Ų | 214 | 178.4 Ų | 178.4 | 93% | 0.93 | 87% | 0.866 | S | S | * | * | trans | -69.1 | 85.3 | 173.2 | -112.4 | 177.9 | 178 | -179.6 | 0 | 107.9 | K5 K9 | K5-K7 PolarHBondContact O-N 3.28Å; K7-K9 PolarHBondContact O-N 2.87Å | ||
| 8 | R | 66.8 | Low | 62.1 | Low | 232 Ų | 232 | 171.4 Ų | 171.4 | 88% | 0.875 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 117.9 | 168.2 | -102.9 | -178.8 | 173.1 | -178.3 | -2.2 | 107.7 | S6 | S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 3.23Å |
| 9 | K | 67.9 | Low | 61.9 | Low | 196 Ų | 196 | 170.7 Ų | 170.7 | 85% | 0.852 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132 | 171.5 | -66.8 | -178.5 | -179.6 | 179.4 | 0 | 107.8 | K7 | K7-K9 PolarHBondContact O-N 2.87Š|
| 10 | P | 70.2 | Confident | 61.8 | Low | 113 Ų | 113 | 169 Ų | 169 | 73% | 0.734 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.2 | 176.2 | 22.7 | -30 | 0 | 0 | 0 | 109.8 | ||
| 11 | P | 71.9 | Confident | 61.9 | Low | 114 Ų | 114 | 166 Ų | 166 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.9 | 177.6 | 22.4 | -30.8 | 0 | 0 | 0 | 109.7 | K13 | P11-K13 PolarHBondContact O-N 3.21Š|
| 12 | P | 69.6 | Low | 63.1 | Low | 125 Ų | 125 | 157.8 Ų | 157.8 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.7 | 177.4 | 23.1 | -31.4 | 0 | 0 | 0 | 108.5 | K14 | P12-K14 PolarHBondContact O-N 3.07Å; P12-K14 VanDerWaalsContact O-N 3.07Å |
| 13 | K | 68.7 | Low | 64.5 | Low | 199 Ų | 199 | 158.6 Ų | 158.6 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 120.3 | 175.5 | -66.3 | -173.8 | 179.7 | -176.8 | 0 | 107 | P11 K15 | P11-K13 PolarHBondContact O-N 3.21Å; K13-K15 PolarHBondContact O-N 3.03Å |
| 14 | K | 64.6 | Low | 66.1 | Low | 203 Ų | 203 | 147.9 Ų | 147.9 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -48 | 118.9 | 169.7 | -113 | -179.9 | 177.9 | -177.8 | 0 | 106.1 | P12 M16 | P12-K14 PolarHBondContact O-N 3.07Å; P12-K14 VanDerWaalsContact O-N 3.07Å; K14-M16 VanDerWaalsContact C-N 3.28Å; K14-M16 PolarHBondContact O-N 2.87Å |
| 15 | K | 60.4 | Low | 67.6 | Low | 202 Ų | 202 | 138.6 Ų | 138.6 | 88% | 0.878 | 71% | 0.707 | S | S | * | * | trans | -60.7 | 104.8 | 167 | -69.7 | -172.3 | 179 | -174.7 | 0 | 104.3 | K13 T17 | K13-K15 PolarHBondContact O-N 3.03Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.93Å | ||
| 16 | M | 58.8 | Low | 69.3 | Low | 173 Ų | 173 | 129 Ų | 129 | 85% | 0.852 | 67% | 0.665 | S | S | * | * | trans | -60.2 | 103.9 | 169.9 | -158.2 | 158 | 77.6 | 0 | 0 | 103.3 | K14 G18 | K14-M16 VanDerWaalsContact C-N 3.28Å; K14-M16 PolarHBondContact O-N 2.87Å; M16-G18 PolarHBondContact O-N 2.8Å | ||
| 17 | T | 55.8 | Low | 70.7 | Confident | 138 Ų | 138 | 126.3 Ų | 126.3 | 85% | 0.847 | 65% | 0.645 | S | S | * | * | trans | -53.9 | 98.5 | 161.6 | 7.2 | 0 | 0 | 0 | 0 | 103.5 | K15 | K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.93Å | ||
| 18 | G | 55.6 | Low | 72.1 | Confident | 52 Ų | 52 | 121.3 Ų | 121.3 | 54% | 0.536 | 62% | 0.624 | S | S | . | * | trans | -57.1 | 153.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109 | M16 L20 | M16-G18 PolarHBondContact O-N 2.8Å; G18-L20 PolarHBondContact O-N 3.22Å | ||
| 19 | N | 57.8 | Low | 73.5 | Confident | 158 Ų | 158 | 112 Ų | 112 | 85% | 0.845 | 59% | 0.594 | S | S | * | * | trans | -43.6 | 130 | 169.6 | -58.6 | -30.3 | 0 | 0 | 0 | 108.3 | D21 | N19-D21 PolarHBondContact O-N 3.27Š| ||
| 20 | L | 60.2 | Low | 74.6 | Confident | 137 Ų | 137 | 108.6 Ų | 108.6 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | trans | -52.8 | 131.1 | 175.8 | -67.7 | 169 | 0 | 0 | 0 | 107.9 | G18 T22 | G18-L20 PolarHBondContact O-N 3.22Å; L20-T22 PolarHBondContact O-N 3.13Å; L20-T22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | D | 63.3 | Low | 75.8 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 57% | 0.567 | 57% | 0.574 | S | S | * | * | trans | -55.3 | 121.6 | 178.6 | -94.2 | -4.7 | 0 | 0 | 0 | 107.9 | N19 Q23 K33 | N19-D21 PolarHBondContact O-N 3.27Å; D21-Q23 PolarHBondContact O-N 2.75Å; D21-K33 IonicContact OD2-NZ 2.82Å; D21-K33 PolarHBondContact OD2-NZ 3.49Å | ||
| 22 | T | 71.4 | Confident | 76.7 | Confident | 73 Ų | 73 | 110.3 Ų | 110.3 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | trans | -85.5 | 13.3 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | L20 P67 | L20-T22 PolarHBondContact O-N 3.13Å; L20-T22 VanDerWaalsContact O-N 3.13Å; T22-P67 HydrophobicContact CG2-CG 4.44Å | ||
| 23 | Q | 83.4 | Confident | 77.7 | Confident | 90 Ų | 90 | 109.6 Ų | 109.6 | 42% | 0.421 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.6 | -173.6 | -67.3 | 177.8 | 16.7 | 0 | 0 | 109.4 | D21 K33 | D21-Q23 PolarHBondContact O-N 2.75Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.43Å; Q23-K33 HydrophobicContact CB-CG 4Å |
| 24 | F | 91.9 | Very high | 78.9 | Confident | 28 Ų | 28 | 100.3 Ų | 100.3 | 12% | 0.123 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 162.1 | -176 | -54.8 | -85.1 | 0 | 0 | 0 | 111.6 | K33 S34 C35 V37 P67 V68 Y71 | F24-K33 CarbonylContact O-C 3.6Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 3.37Å; F24-S34 PolarHBondContact O-N 2.81Å; F24-C35 HydrophobicContact CB-CB 4.15Å; F24-C35 PolarHBondContact N-O 2.89Å; F24-C35 PolarHBondContact O-N 3.36Å; F24-C35 VanDerWaalsContact O-N 3.14Å; F24-V37 HydrophobicContact CD2-CG2 3.84Å; F24-V37 HydrophobicContact CE2-CG2 3.66Å; F24-P67 HydrophobicContact CE2-CB 4.08Å; F24-P67 HydrophobicContact CZ-CB 4.17Å; F24-V68 HydrophobicContact CE1-CB 4.2Å; F24-V68 HydrophobicContact CE1-CG2 4.27Å; F24-V68 HydrophobicContact CZ-CB 4.23Å; F24-Y71 HydrophobicContact CB-CD1 4.39Å; F24-Y71 HydrophobicContact CB-CD2 3.46Å; F24-Y71 VanDerWaalsContact CB-CD2 3.46Å; F24-Y71 HydrophobicContact CB-CE2 3.63Å; F24-Y71 HydrophobicContact CB-CG 3.86Å; F24-Y71 AromaticContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD2 4.18Å; F24-Y71 HydrophobicContact CD1-CE1 4.34Å; F24-Y71 AromaticContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD2-CD2 4.47Å; F24-Y71 HydrophobicContact CD2-CG 4.38Å; F24-Y71 HydrophobicContact CE1-CD1 4.38Å; F24-Y71 HydrophobicContact CE1-CG 4.3Å; F24-Y71 HydrophobicContact CG-CD1 4.23Å; F24-Y71 AromaticContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CE2 4.39Å; F24-Y71 AromaticContact CG-CG 3.7Å; F24-Y71 HydrophobicContact CG-CG 3.7Å |
| 25 | T | 93.8 | Very high | 80.4 | Confident | 51 Ų | 51 | 90.7 Ų | 90.7 | 31% | 0.313 | 48% | 0.476 | S | S | . | . | trans | -82.1 | 137.3 | 174.8 | -60 | 0 | 0 | 0 | 0 | 109.7 | Y71 | T25-Y71 WeakPolarHBondContact O-CE2 3.27Å; T25-Y71 PolarHBondContact O-OH 3.38Å | ||
| 26 | C | 95 | Very high | 81.9 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 46% | 0.456 | C | S | . | . | trans | -77.2 | 131 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | F28 N30 H31 C35 C50 | C26-F28 PolarHBondContact O-N 3.41Å; C26-F28 PolarHBondContact SG-N 3.27Å; C26-F28 VanDerWaalsContact SG-N 3.4Å; C26-N30 WeakPolarHBondContact O-CA 3.22Å; C26-N30 PolarHBondContact O-N 3.48Å; C26-H31 PolarHBondContact N-O 3.36Å; C26-C35 WeakPolarHBondContact CA-SG 3.4Å; C26-C35 WeakPolarHBondContact CB-SG 3.11Å; C26-C50 HydrophobicContact CB-CB 4.27Å | ||
| 27 | P | 93.6 | Very high | 83.7 | Confident | 48 Ų | 48 | 78.2 Ų | 78.2 | 31% | 0.312 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.7 | 175.8 | 28.4 | -34.4 | 0 | 0 | 0 | 113.8 | W74 I75 | P27-W74 HydrophobicContact CG-CD2 4.34Å; P27-W74 HydrophobicContact CG-CE3 4.3Å; P27-W74 HydrophobicContact CG-CH2 4.49Å; P27-W74 HydrophobicContact CG-CZ2 4.45Å; P27-W74 HydrophobicContact CG-CZ3 4.4Å; P27-I75 HydrophobicContact CB-CD1 3.66Å; P27-I75 HydrophobicContact CG-CD1 3.8Å |
| 28 | F | 93.1 | Very high | 85.5 | Confident | 109 Ų | 109 | 77.9 Ų | 77.9 | 48% | 0.478 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -53.1 | -177.9 | -62.7 | -88 | 0 | 0 | 0 | 112.7 | C26 E55 W74 C78 | C26-F28 PolarHBondContact O-N 3.41Å; C26-F28 PolarHBondContact SG-N 3.27Å; C26-F28 VanDerWaalsContact SG-N 3.4Å; F28-E55 HydrophobicContact CD2-CB 4.16Å; F28-E55 HydrophobicContact CD2-CG 3.84Å; F28-E55 HydrophobicContact CE2-CB 4.41Å; F28-E55 HydrophobicContact CE2-CG 3.62Å; F28-E55 HydrophobicContact CG-CG 4.41Å; F28-E55 HydrophobicContact CZ-CG 3.96Å; F28-W74 HydrophobicContact CD2-CH2 4.39Å; F28-W74 AromaticContact CD2-CZ2 3.82Å; F28-W74 HydrophobicContact CD2-CZ2 3.82Å; F28-W74 AromaticContact CE2-CE2 3.72Å; F28-W74 HydrophobicContact CE2-CH2 4.45Å; F28-W74 AromaticContact CE2-CZ2 3.5Å; F28-W74 HydrophobicContact CE2-CZ2 3.5Å; F28-W74 VanDerWaalsContact CE2-CZ2 3.5Å; F28-W74 AromaticContact CE2-NE1 3.69Å; F28-C78 WeakPolarHBondContact CZ-SG 3.17Å |
| 29 | C | 95.4 | Very high | 87.4 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 25% | 0.25 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -0.7 | -176.3 | 71.6 | 0 | 0 | 0 | 0 | 114 | H31 C50 C53 | C29-H31 PolarHBondContact O-CD2 3.11Å; C29-H31 PolarHBondContact O-N 2.82Å; C29-C50 VanDerWaalsContact SG-SG 3.64Å; C29-C53 HydrophobicContact CB-CB 3.81Å |
| 30 | N | 92.9 | Very high | 89.2 | Confident | 125 Ų | 125 | 72.2 Ų | 72.2 | 67% | 0.668 | 37% | 0.365 | S | S | * | . | trans | 58.7 | 12.7 | 173.7 | -123.5 | 83.9 | 0 | 0 | 0 | 116 | C26 E32 | C26-N30 WeakPolarHBondContact O-CA 3.22Å; C26-N30 PolarHBondContact O-N 3.48Å; N30-E32 PolarHBondContact O-N 3.19Å | ||
| 31 | H | 93.5 | Very high | 90.8 | Very high | 106 Ų | 106 | 71 Ų | 71 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | trans | -73.8 | 123.5 | 174.3 | -84.1 | -92 | 0 | 0 | 0 | 109.7 | C26 C29 S34 V52 | C26-H31 PolarHBondContact N-O 3.36Å; C29-H31 PolarHBondContact O-CD2 3.11Å; C29-H31 PolarHBondContact O-N 2.82Å; H31-S34 WeakPolarHBondContact O-CB 3.34Å; H31-S34 PolarHBondContact O-OG 3.38Å; H31-V52 HydrophobicContact CB-CG2 4.03Å | ||
| 32 | E | 92.7 | Very high | 92.3 | Very high | 156 Ų | 156 | 71.9 Ų | 71.9 | 73% | 0.729 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 145 | 175.9 | -62.7 | -175.8 | 175.9 | 0 | 0 | 111.1 | N30 S34 | N30-E32 PolarHBondContact O-N 3.19Å; E32-S34 PolarHBondContact O-N 3.14Å |
| 33 | K | 90.6 | Very high | 93.5 | Very high | 110 Ų | 110 | 76 Ų | 76 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 30.5 | 174 | -62.2 | -167.1 | -179.3 | -148.9 | 0 | 114.2 | D21 Q23 F24 | D21-K33 IonicContact OD2-NZ 2.82Å; D21-K33 PolarHBondContact OD2-NZ 3.49Å; Q23-K33 HydrophobicContact CB-CB 3.81Å; Q23-K33 HydrophobicContact CB-CD 4.43Å; Q23-K33 HydrophobicContact CB-CG 4Å; F24-K33 CarbonylContact O-C 3.6Å; F24-K33 WeakPolarHBondContact O-CA 3.37Å; F24-K33 PolarHBondContact O-N 3.37Å |
| 34 | S | 93.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 76 Ų | 76 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | trans | -99.6 | -11.7 | -175.8 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | F24 H31 E32 C50 S51 | F24-S34 PolarHBondContact O-N 2.81Å; H31-S34 WeakPolarHBondContact O-CB 3.34Å; H31-S34 PolarHBondContact O-OG 3.38Å; E32-S34 PolarHBondContact O-N 3.14Å; S34-C50 PolarHBondContact OG-SG 3.24Å; S34-S51 PolarHBondContact O-N 2.96Å; S34-S51 PolarHBondContact O-OG 3.14Å | ||
| 35 | C | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127 | -177.6 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | F24 C26 I48 S49 W74 | F24-C35 HydrophobicContact CB-CB 4.15Å; F24-C35 PolarHBondContact N-O 2.89Å; F24-C35 PolarHBondContact O-N 3.36Å; F24-C35 VanDerWaalsContact O-N 3.14Å; C26-C35 WeakPolarHBondContact CA-SG 3.4Å; C26-C35 WeakPolarHBondContact CB-SG 3.11Å; C35-I48 HydrophobicContact CB-CD1 4.04Å; C35-I48 HydrophobicContact CB-CG1 4.11Å; C35-S49 CarbonylContact C-O 3.53Å; C35-S49 VanDerWaalsContact CA-O 3.27Å; C35-S49 WeakPolarHBondContact CA-O 3.29Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å |
| 36 | D | 93.7 | Very high | 94.5 | Very high | 86 Ų | 86 | 73.5 Ų | 73.5 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.3 | 175.2 | -75 | -73.1 | 0 | 0 | 0 | 110.4 | I48 S49 | D36-I48 WeakPolarHBondContact O-CA 3.37Å; D36-S49 PolarHBondContact N-O 3.09Å; D36-S49 PolarHBondContact O-N 3.35Å |
| 37 | V | 94.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.2 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | F24 M39 I47 I48 P67 V70 | F24-V37 HydrophobicContact CD2-CG2 3.84Å; F24-V37 HydrophobicContact CE2-CG2 3.66Å; V37-M39 HydrophobicContact CG1-CG 4.36Å; V37-M39 HydrophobicContact CG1-SD 3.9Å; V37-I47 CarbonylContact C-O 3.57Å; V37-I47 WeakPolarHBondContact CA-O 3.36Å; V37-I48 HydrophobicContact CG2-CB 4.13Å; V37-I48 HydrophobicContact CG2-CD1 3.77Å; V37-I48 HydrophobicContact CG2-CG1 3.94Å; V37-P67 HydrophobicContact CB-CB 4.01Å; V37-P67 HydrophobicContact CG1-CB 3.99Å; V37-P67 HydrophobicContact CG2-CB 4.32Å; V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4Å; V37-V70 HydrophobicContact CG1-CG2 4.18Å |
| 38 | K | 94.7 | Very high | 94.7 | Very high | 131 Ų | 131 | 72.2 Ų | 72.2 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116 | 173.4 | -174.4 | -178 | 178.6 | -171.2 | 0 | 110.1 | I47 | K38-I47 HydrophobicContact CB-CB 4.39Å; K38-I47 PolarHBondContact N-O 2.98Å; K38-I47 PolarHBondContact O-N 3.39Å |
| 39 | M | 95 | Very high | 94.9 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 96 | 178.2 | -60 | -64.6 | -87.2 | 0 | 0 | 110.8 | V37 R41 I61 S65 P67 V70 | V37-M39 HydrophobicContact CG1-CG 4.36Å; V37-M39 HydrophobicContact CG1-SD 3.9Å; M39-R41 PolarHBondContact O-N 2.74Å; M39-R41 VanDerWaalsContact O-N 3.15Å; M39-I61 HydrophobicContact CB-CD1 4.12Å; M39-I61 HydrophobicContact CE-CB 4.29Å; M39-I61 HydrophobicContact CE-CD1 3.66Å; M39-I61 HydrophobicContact CE-CG2 4.05Å; M39-I61 HydrophobicContact SD-CD1 3.93Å; M39-I61 HydrophobicContact SD-CG2 4.39Å; M39-S65 WeakPolarHBondContact CE-O 3.42Å; M39-P67 HydrophobicContact CG-CG 4.32Å; M39-V70 HydrophobicContact CE-CG2 4.23Å; M39-V70 HydrophobicContact SD-CG2 3.64Å |
| 40 | E | 95.5 | Very high | 94.9 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 78.8 | 177.2 | -166.6 | 165.4 | -141.3 | 0 | 0 | 110.9 | T42 R43 N44 T45 | E40-T42 PolarHBondContact O-N 3.23Å; E40-R43 HydrophobicContact CG-CB 4.09Å; E40-R43 HydrophobicContact CG-CG 4.25Å; E40-R43 PolarHBondContact O-N 2.76Å; E40-R43 VanDerWaalsContact O-N 3.12Å; E40-R43 WeakPolarHBondContact OE2-CD 3.48Å; E40-R43 IonicContact OE2-CZ 3.8Å; E40-R43 IonicContact OE2-NE 3.96Å; E40-R43 IonicContact OE2-NH1 2.91Å; E40-R43 PolarHBondContact OE2-NH1 2.83Å; E40-N44 PolarHBondContact O-N 3.07Å; E40-T45 WeakPolarHBondContact CA-O 3.45Å; E40-T45 WeakPolarHBondContact CB-O 3.4Å; E40-T45 PolarHBondContact N-O 3.26Å; E40-T45 PolarHBondContact O-N 3.45Å; E40-T45 VanDerWaalsContact O-N 3.14Å |
| 41 | R | 94.3 | Very high | 95 | Very high | 111 Ų | 111 | 65.4 Ų | 65.4 | 42% | 0.419 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.4 | -175.2 | -59.6 | -66.9 | -176.1 | 142.4 | 8.5 | 114.1 | M39 R43 N44 T62 Y63 S65 | M39-R41 PolarHBondContact O-N 2.74Å; M39-R41 VanDerWaalsContact O-N 3.15Å; R41-R43 VanDerWaalsContact C-N 3.28Å; R41-R43 PolarHBondContact O-N 3.06Å; R41-N44 PolarHBondContact O-N 3.3Å; R41-T62 PolarHBondContact NH1-O 3.1Å; R41-Y63 VanDerWaalsContact NH1-CA 3.29Å; R41-Y63 PolarHBondContact NH1-O 2.92Å; R41-S65 VanDerWaalsContact CZ-O 3.28Å; R41-S65 PolarHBondContact NH1-O 3.14Å; R41-S65 PolarHBondContact NH2-O 3.28Å |
| 42 | T | 95.6 | Very high | 95.1 | Very high | 124 Ų | 124 | 63.8 Ų | 63.8 | 76% | 0.761 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -27.8 | 176.9 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | E40 | E40-T42 PolarHBondContact O-N 3.23Š|
| 43 | R | 95.5 | Very high | 95.3 | Very high | 161 Ų | 161 | 58.8 Ų | 58.8 | 61% | 0.608 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 2.5 | 179.7 | -65.4 | 178.3 | 63.5 | -145.2 | 7.1 | 112.5 | E40 R41 T45 | E40-R43 HydrophobicContact CG-CB 4.09Å; E40-R43 HydrophobicContact CG-CG 4.25Å; E40-R43 PolarHBondContact O-N 2.76Å; E40-R43 VanDerWaalsContact O-N 3.12Å; E40-R43 WeakPolarHBondContact OE2-CD 3.48Å; E40-R43 IonicContact OE2-CZ 3.8Å; E40-R43 IonicContact OE2-NE 3.96Å; E40-R43 IonicContact OE2-NH1 2.91Å; E40-R43 PolarHBondContact OE2-NH1 2.83Å; R41-R43 VanDerWaalsContact C-N 3.28Å; R41-R43 PolarHBondContact O-N 3.06Å; R43-T45 PolarHBondContact O-N 3.14Å; R43-T45 PolarHBondContact O-OG1 3Å; R43-T45 VanDerWaalsContact O-OG1 3.09Å |
| 44 | N | 96.7 | Very high | 95.5 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 41.1 | -174.6 | -70.3 | 91.8 | 0 | 0 | 0 | 111.8 | E40 R41 P60 I61 | E40-N44 PolarHBondContact O-N 3.07Å; R41-N44 PolarHBondContact O-N 3.3Å; N44-P60 CarbonylContact O-C 3.59Å; N44-P60 WeakPolarHBondContact O-CA 3.34Å; N44-I61 VanDerWaalsContact C-CG1 3.43Å; N44-I61 WeakPolarHBondContact CB-O 3.48Å; N44-I61 PolarHBondContact ND2-O 3.38Å; N44-I61 VanDerWaalsContact ND2-O 3.07Å; N44-I61 PolarHBondContact O-N 2.93Å |
| 45 | T | 97.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 17% | 0.166 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.8 | -179.1 | -47.9 | 0 | 0 | 0 | 0 | 111 | E40 R43 I47 Q58 I61 | E40-T45 WeakPolarHBondContact CA-O 3.45Å; E40-T45 WeakPolarHBondContact CB-O 3.4Å; E40-T45 PolarHBondContact N-O 3.26Å; E40-T45 PolarHBondContact O-N 3.45Å; E40-T45 VanDerWaalsContact O-N 3.14Å; R43-T45 PolarHBondContact O-N 3.14Å; R43-T45 PolarHBondContact O-OG1 3Å; R43-T45 VanDerWaalsContact O-OG1 3.09Å; T45-I47 HydrophobicContact CG2-CG1 4.22Å; T45-Q58 HydrophobicContact CG2-CB 4.26Å; T45-I61 WeakPolarHBondContact O-CD1 3.2Å |
| 46 | G | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q58 T59 | G46-Q58 WeakPolarHBondContact O-CA 3.48Å; G46-T59 PolarHBondContact N-O 2.76Å; G46-T59 PolarHBondContact O-N 2.9Å |
| 47 | I | 96.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.4 | 178.8 | -52.6 | 176.7 | 0 | 0 | 0 | 107.4 | V37 K38 T45 E56 F57 Q58 | V37-I47 CarbonylContact C-O 3.57Å; V37-I47 WeakPolarHBondContact CA-O 3.36Å; K38-I47 HydrophobicContact CB-CB 4.39Å; K38-I47 PolarHBondContact N-O 2.98Å; K38-I47 PolarHBondContact O-N 3.39Å; T45-I47 HydrophobicContact CG2-CG1 4.22Å; I47-E56 HydrophobicContact CG2-CG 3.78Å; I47-F57 WeakPolarHBondContact CA-O 3.37Å; I47-Q58 HydrophobicContact CB-CG 4.49Å; I47-Q58 HydrophobicContact CG1-CG 4.04Å; I47-Q58 HydrophobicContact CG2-CG 4.2Å |
| 48 | I | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.2 | 172.8 | -177 | 161.3 | 0 | 0 | 0 | 109.5 | C35 D36 V37 E56 F57 V70 Y71 W74 | C35-I48 HydrophobicContact CB-CD1 4.04Å; C35-I48 HydrophobicContact CB-CG1 4.11Å; D36-I48 WeakPolarHBondContact O-CA 3.37Å; V37-I48 HydrophobicContact CG2-CB 4.13Å; V37-I48 HydrophobicContact CG2-CD1 3.77Å; V37-I48 HydrophobicContact CG2-CG1 3.94Å; I48-E56 CarbonylContact O-C 3.55Å; I48-E56 WeakPolarHBondContact O-CA 3.38Å; I48-F57 HydrophobicContact CG2-CB 3.76Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.15Å; I48-F57 PolarHBondContact O-N 3.12Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.06Å; I48-Y71 HydrophobicContact CD1-CD2 3.7Å; I48-Y71 HydrophobicContact CD1-CG 4.42Å; I48-W74 HydrophobicContact CB-CE3 4.4Å; I48-W74 HydrophobicContact CD1-CD2 4.45Å; I48-W74 HydrophobicContact CD1-CE3 3.41Å; I48-W74 VanDerWaalsContact CD1-CE3 3.41Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.77Å; I48-W74 HydrophobicContact CG1-CZ3 3.7Å; I48-W74 HydrophobicContact CG2-CB 4.11Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.73Å; I48-W74 HydrophobicContact CG2-CG 3.97Å; I48-W74 HydrophobicContact CG2-CZ3 4.27Å |
| 49 | S | 96 | Very high | 96 | Very high | 45 Ų | 45 | 65.2 Ų | 65.2 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 143.4 | 177.8 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | C35 D36 E55 | C35-S49 CarbonylContact C-O 3.53Å; C35-S49 VanDerWaalsContact CA-O 3.27Å; C35-S49 WeakPolarHBondContact CA-O 3.29Å; D36-S49 PolarHBondContact N-O 3.09Å; D36-S49 PolarHBondContact O-N 3.35Å; S49-E55 CarbonylContact C-O 3.57Å; S49-E55 VanDerWaalsContact CA-O 3.3Å; S49-E55 WeakPolarHBondContact CA-O 3.33Å |
| 50 | C | 96 | Very high | 96.1 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | C26 C29 S34 V52 C53 L54 E55 W74 | C26-C50 HydrophobicContact CB-CB 4.27Å; C29-C50 VanDerWaalsContact SG-SG 3.64Å; S34-C50 PolarHBondContact OG-SG 3.24Å; C50-V52 PolarHBondContact O-N 2.98Å; C50-V52 PolarHBondContact SG-N 3.21Å; C50-V52 VanDerWaalsContact SG-N 3.38Å; C50-C53 VanDerWaalsContact SG-SG 3.67Å; C50-L54 WeakPolarHBondContact O-CA 3.4Å; C50-L54 PolarHBondContact O-N 2.82Å; C50-E55 PolarHBondContact N-O 3.13Å; C50-W74 HydrophobicContact CB-CH2 4.46Å |
| 51 | S | 94.9 | Very high | 96.2 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 56% | 0.559 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.9 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | S34 | S34-S51 PolarHBondContact O-N 2.96Å; S34-S51 PolarHBondContact O-OG 3.14Å |
| 52 | V | 96.5 | Very high | 96.3 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -56.2 | -176.9 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | H31 C50 | H31-V52 HydrophobicContact CB-CG2 4.03Å; C50-V52 PolarHBondContact O-N 2.98Å; C50-V52 PolarHBondContact SG-N 3.21Å; C50-V52 VanDerWaalsContact SG-N 3.38Å |
| 53 | C | 96.3 | Very high | 96.3 | Very high | 50 Ų | 50 | 67.8 Ų | 67.8 | 34% | 0.338 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.3 | -179.3 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | C29 C50 E55 | C29-C53 HydrophobicContact CB-CB 3.81Å; C50-C53 VanDerWaalsContact SG-SG 3.67Å; C53-E55 PolarHBondContact O-N 2.82Å |
| 54 | L | 94.8 | Very high | 96.2 | Very high | 144 Ų | 144 | 65.7 Ų | 65.7 | 75% | 0.754 | 35% | 0.351 | S | S | * | . | trans | 63 | 16.7 | 176.8 | -51.4 | 176.7 | 0 | 0 | 0 | 114.9 | C50 | C50-L54 WeakPolarHBondContact O-CA 3.4Å; C50-L54 PolarHBondContact O-N 2.82Å | ||
| 55 | E | 94.5 | Very high | 96.2 | Very high | 86 Ų | 86 | 62.2 Ų | 62.2 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | trans | -72.7 | 141.3 | 174.1 | -165 | 58.8 | -114 | 0 | 0 | 110.5 | F28 S49 C50 C53 W74 | F28-E55 HydrophobicContact CD2-CB 4.16Å; F28-E55 HydrophobicContact CD2-CG 3.84Å; F28-E55 HydrophobicContact CE2-CB 4.41Å; F28-E55 HydrophobicContact CE2-CG 3.62Å; F28-E55 HydrophobicContact CG-CG 4.41Å; F28-E55 HydrophobicContact CZ-CG 3.96Å; S49-E55 CarbonylContact C-O 3.57Å; S49-E55 VanDerWaalsContact CA-O 3.3Å; S49-E55 WeakPolarHBondContact CA-O 3.33Å; C50-E55 PolarHBondContact N-O 3.13Å; C53-E55 PolarHBondContact O-N 2.82Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 3.98Å | ||
| 56 | E | 95.6 | Very high | 96 | Very high | 101 Ų | 101 | 65.9 Ų | 65.9 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.9 | -179.4 | -176.3 | -179.5 | 110 | 0 | 0 | 110.9 | I47 I48 Q58 | I47-E56 HydrophobicContact CG2-CG 3.78Å; I48-E56 CarbonylContact O-C 3.55Å; I48-E56 WeakPolarHBondContact O-CA 3.38Å; E56-Q58 PolarHBondContact OE1-NE2 2.9Å |
| 57 | F | 96.6 | Very high | 95.8 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.8 | 172.9 | 175.5 | -104.5 | 0 | 0 | 0 | 111.7 | I47 I48 T59 D73 W74 A77 | I47-F57 WeakPolarHBondContact CA-O 3.37Å; I48-F57 HydrophobicContact CG2-CB 3.76Å; I48-F57 HydrophobicContact CG2-CD1 4.01Å; I48-F57 HydrophobicContact CG2-CG 4.4Å; I48-F57 PolarHBondContact N-O 3.15Å; I48-F57 PolarHBondContact O-N 3.12Å; F57-T59 HydrophobicContact CE1-CG2 4.31Å; F57-D73 HydrophobicContact CE1-CB 4.19Å; F57-W74 HydrophobicContact CB-CB 4.5Å; F57-W74 HydrophobicContact CB-CD2 4.16Å; F57-W74 HydrophobicContact CB-CG 3.76Å; F57-W74 VanDerWaalsContact CB-NE1 3.34Å; F57-W74 HydrophobicContact CD1-CB 3.53Å; F57-W74 AromaticContact CD1-CD1 3.64Å; F57-W74 AromaticContact CD1-CG 3.71Å; F57-W74 HydrophobicContact CD1-CG 3.71Å; F57-W74 AromaticContact CD2-CD1 3.89Å; F57-W74 HydrophobicContact CE1-CB 3.95Å; F57-W74 HydrophobicContact CE1-CG 4.48Å; F57-W74 HydrophobicContact CG-CB 4.17Å; F57-W74 AromaticContact CG-CD1 3.33Å; F57-W74 AromaticContact CG-CG 3.84Å; F57-W74 HydrophobicContact CG-CG 3.84Å; F57-W74 AromaticContact CG-NE1 3.91Å; F57-A77 HydrophobicContact CE2-CB 3.69Å; F57-A77 HydrophobicContact CZ-CB 3.68Å |
| 58 | Q | 97.2 | Very high | 95.7 | Very high | 102 Ų | 102 | 69.6 Ų | 69.6 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.1 | -179.6 | -55.7 | -170.1 | -7.4 | 0 | 0 | 110.1 | T45 G46 I47 E56 | T45-Q58 HydrophobicContact CG2-CB 4.26Å; G46-Q58 WeakPolarHBondContact O-CA 3.48Å; I47-Q58 HydrophobicContact CB-CG 4.49Å; I47-Q58 HydrophobicContact CG1-CG 4.04Å; I47-Q58 HydrophobicContact CG2-CG 4.2Å; E56-Q58 PolarHBondContact OE1-NE2 2.9Å |
| 59 | T | 97.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 72.6 Ų | 72.6 | 8% | 0.08 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.7 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | G46 F57 I61 V70 D73 | G46-T59 PolarHBondContact N-O 2.76Å; G46-T59 PolarHBondContact O-N 2.9Å; F57-T59 HydrophobicContact CE1-CG2 4.31Å; T59-I61 HydrophobicContact CG2-CG2 4.38Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.92Å; T59-D73 HydrophobicContact CG2-CB 4.13Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.32Å; T59-D73 PolarHBondContact OG1-OD2 3.4Å |
| 60 | P | 97.8 | Very high | 95.7 | Very high | 110 Ų | 110 | 70.5 Ų | 70.5 | 71% | 0.714 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 138.3 | 171.3 | 26.6 | -35.8 | 0 | 0 | 0 | 111.7 | N44 | N44-P60 CarbonylContact O-C 3.59Å; N44-P60 WeakPolarHBondContact O-CA 3.34Å |
| 61 | I | 97.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | trans | -124.6 | 152.5 | 177.5 | 61.9 | 169.3 | 0 | 0 | 0 | 112.3 | M39 N44 T45 T59 V70 | M39-I61 HydrophobicContact CB-CD1 4.12Å; M39-I61 HydrophobicContact CE-CB 4.29Å; M39-I61 HydrophobicContact CE-CD1 3.66Å; M39-I61 HydrophobicContact CE-CG2 4.05Å; M39-I61 HydrophobicContact SD-CD1 3.93Å; M39-I61 HydrophobicContact SD-CG2 4.39Å; N44-I61 VanDerWaalsContact C-CG1 3.43Å; N44-I61 WeakPolarHBondContact CB-O 3.48Å; N44-I61 PolarHBondContact ND2-O 3.38Å; N44-I61 VanDerWaalsContact ND2-O 3.07Å; N44-I61 PolarHBondContact O-N 2.93Å; T45-I61 WeakPolarHBondContact O-CD1 3.2Å; T59-I61 HydrophobicContact CG2-CG2 4.38Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å | ||
| 62 | T | 96.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 71.3 Ų | 71.3 | 45% | 0.454 | 37% | 0.373 | S | S | . | . | trans | -102.5 | -179.1 | 172.7 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | R41 L64 S65 | R41-T62 PolarHBondContact NH1-O 3.1Å; T62-L64 VanDerWaalsContact C-N 3.25Å; T62-L64 PolarHBondContact O-N 2.96Å; T62-L64 PolarHBondContact OG1-N 2.78Å; T62-S65 PolarHBondContact N-OG 3.03Å; T62-S65 PolarHBondContact O-N 2.85Å; T62-S65 PolarHBondContact OG1-N 3.07Å; T62-S65 PolarHBondContact OG1-OG 3.48Å; T62-S65 VanDerWaalsContact OG1-OG 3.1Å | ||
| 63 | Y | 94 | Very high | 95.8 | Very high | 189 Ų | 189 | 70.7 Ų | 70.7 | 74% | 0.741 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -70.1 | -23.4 | 173.4 | 75.7 | -85.9 | 0 | 0 | 0 | 112.7 | R41 | R41-Y63 VanDerWaalsContact NH1-CA 3.29Å; R41-Y63 PolarHBondContact NH1-O 2.92Å |
| 64 | L | 95.2 | Very high | 95.8 | Very high | 116 Ų | 116 | 68.5 Ų | 68.5 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -84.7 | -17.8 | 176.6 | -65.3 | 175.2 | 0 | 0 | 0 | 112.7 | T62 | T62-L64 VanDerWaalsContact C-N 3.25Å; T62-L64 PolarHBondContact O-N 2.96Å; T62-L64 PolarHBondContact OG1-N 2.78Å |
| 65 | S | 95.1 | Very high | 95.9 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | trans | -63.9 | 138.6 | -176.4 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | M39 R41 T62 D69 | M39-S65 WeakPolarHBondContact CE-O 3.42Å; R41-S65 VanDerWaalsContact CZ-O 3.28Å; R41-S65 PolarHBondContact NH1-O 3.14Å; R41-S65 PolarHBondContact NH2-O 3.28Å; T62-S65 PolarHBondContact N-OG 3.03Å; T62-S65 PolarHBondContact O-N 2.85Å; T62-S65 PolarHBondContact OG1-N 3.07Å; T62-S65 PolarHBondContact OG1-OG 3.48Å; T62-S65 VanDerWaalsContact OG1-OG 3.1Å; S65-D69 VanDerWaalsContact CA-OD2 3.22Å; S65-D69 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 66 | E | 94.3 | Very high | 96 | Very high | 103 Ų | 103 | 64 Ų | 64 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | trans | -111.7 | 162.1 | 175 | -62.5 | -161.5 | 128.9 | 0 | 0 | 110.3 | V68 D69 | E66-V68 HydrophobicContact CB-CG1 4.1Å; E66-V68 PolarHBondContact O-N 3.32Å; E66-V68 VanDerWaalsContact O-N 3.11Å; E66-D69 PolarHBondContact N-OD2 3.45Å; E66-D69 WeakPolarHBondContact O-CB 3.49Å; E66-D69 PolarHBondContact O-N 2.93Å | ||
| 67 | P | 93.6 | Very high | 96 | Very high | 37 Ų | 37 | 61 Ų | 61 | 24% | 0.24 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.3 | -29.1 | 179.3 | -30.1 | 38.1 | 0 | 0 | 0 | 114.8 | T22 F24 V37 M39 D69 V70 Y71 | T22-P67 HydrophobicContact CG2-CG 4.44Å; F24-P67 HydrophobicContact CE2-CB 4.08Å; F24-P67 HydrophobicContact CZ-CB 4.17Å; V37-P67 HydrophobicContact CB-CB 4.01Å; V37-P67 HydrophobicContact CG1-CB 3.99Å; V37-P67 HydrophobicContact CG2-CB 4.32Å; M39-P67 HydrophobicContact CG-CG 4.32Å; P67-D69 VanDerWaalsContact C-N 3.3Å; P67-D69 PolarHBondContact O-N 3.12Å; P67-V70 PolarHBondContact O-N 3.23Å; P67-Y71 PolarHBondContact O-N 3.47Å |
| 68 | V | 94.3 | Very high | 95.8 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -30.7 | 176.5 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | F24 E66 Y71 S72 | F24-V68 HydrophobicContact CE1-CB 4.2Å; F24-V68 HydrophobicContact CE1-CG2 4.27Å; F24-V68 HydrophobicContact CZ-CB 4.23Å; E66-V68 HydrophobicContact CB-CG1 4.1Å; E66-V68 PolarHBondContact O-N 3.32Å; E66-V68 VanDerWaalsContact O-N 3.11Å; V68-Y71 PolarHBondContact O-N 2.9Å; V68-S72 PolarHBondContact O-N 2.67Å; V68-S72 PolarHBondContact O-OG 2.88Å |
| 69 | D | 95.3 | Very high | 95.7 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 176.4 | -57.9 | -38.8 | 0 | 0 | 0 | 109.6 | S65 E66 P67 Y71 S72 D73 | S65-D69 VanDerWaalsContact CA-OD2 3.22Å; S65-D69 WeakPolarHBondContact CA-OD2 3.44Å; E66-D69 PolarHBondContact N-OD2 3.45Å; E66-D69 WeakPolarHBondContact O-CB 3.49Å; E66-D69 PolarHBondContact O-N 2.93Å; P67-D69 VanDerWaalsContact C-N 3.3Å; P67-D69 PolarHBondContact O-N 3.12Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 2.99Å; D69-S72 PolarHBondContact O-N 3.26Å; D69-S72 VanDerWaalsContact O-N 3.14Å; D69-D73 PolarHBondContact O-N 3.33Å |
| 70 | V | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | V37 M39 I48 T59 I61 P67 W74 | V37-V70 HydrophobicContact CG1-CB 3.99Å; V37-V70 HydrophobicContact CG1-CG1 4Å; V37-V70 HydrophobicContact CG1-CG2 4.18Å; M39-V70 HydrophobicContact CE-CG2 4.23Å; M39-V70 HydrophobicContact SD-CG2 3.64Å; I48-V70 HydrophobicContact CB-CG1 3.96Å; I48-V70 HydrophobicContact CG2-CG1 4.06Å; T59-V70 HydrophobicContact CG2-CB 4.1Å; T59-V70 HydrophobicContact CG2-CG1 3.83Å; T59-V70 HydrophobicContact CG2-CG2 3.92Å; I61-V70 HydrophobicContact CG2-CG2 3.64Å; P67-V70 PolarHBondContact O-N 3.23Å; V70-W74 PolarHBondContact O-N 2.92Å; V70-W74 VanDerWaalsContact O-N 3.14Å |
| 71 | Y | 96.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.1 | 177.7 | -106.7 | 0 | 0 | 0 | 111.8 | F24 T25 I48 P67 V68 D69 W74 I75 | F24-Y71 HydrophobicContact CB-CD1 4.39Å; F24-Y71 HydrophobicContact CB-CD2 3.46Å; F24-Y71 VanDerWaalsContact CB-CD2 3.46Å; F24-Y71 HydrophobicContact CB-CE2 3.63Å; F24-Y71 HydrophobicContact CB-CG 3.86Å; F24-Y71 AromaticContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD1 3.75Å; F24-Y71 HydrophobicContact CD1-CD2 4.18Å; F24-Y71 HydrophobicContact CD1-CE1 4.34Å; F24-Y71 AromaticContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD1-CG 3.65Å; F24-Y71 HydrophobicContact CD2-CD2 4.47Å; F24-Y71 HydrophobicContact CD2-CG 4.38Å; F24-Y71 HydrophobicContact CE1-CD1 4.38Å; F24-Y71 HydrophobicContact CE1-CG 4.3Å; F24-Y71 HydrophobicContact CG-CD1 4.23Å; F24-Y71 AromaticContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CD2 3.8Å; F24-Y71 HydrophobicContact CG-CE2 4.39Å; F24-Y71 AromaticContact CG-CG 3.7Å; F24-Y71 HydrophobicContact CG-CG 3.7Å; T25-Y71 WeakPolarHBondContact O-CE2 3.27Å; T25-Y71 PolarHBondContact O-OH 3.38Å; I48-Y71 HydrophobicContact CD1-CD2 3.7Å; I48-Y71 HydrophobicContact CD1-CG 4.42Å; P67-Y71 PolarHBondContact O-N 3.47Å; V68-Y71 PolarHBondContact O-N 2.9Å; D69-Y71 VanDerWaalsContact C-N 3.31Å; D69-Y71 PolarHBondContact O-N 2.99Å; Y71-W74 HydrophobicContact CD2-CE3 4.24Å; Y71-W74 HydrophobicContact CE2-CE3 4.45Å; Y71-W74 WeakPolarHBondContact O-CB 3.36Å; Y71-W74 PolarHBondContact O-N 3.01Å; Y71-I75 HydrophobicContact CD1-CG1 4.48Å; Y71-I75 HydrophobicContact CE1-CD1 4.41Å; Y71-I75 HydrophobicContact CE1-CG1 4.03Å; Y71-I75 HydrophobicContact CE2-CD1 4.06Å; Y71-I75 HydrophobicContact CE2-CG1 4.31Å; Y71-I75 WeakPolarHBondContact O-CG1 3.41Å; Y71-I75 PolarHBondContact O-N 3.39Å; Y71-I75 VanDerWaalsContact O-N 3.13Å |
| 72 | S | 95.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 67.9 Ų | 67.9 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 179.5 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | V68 D69 W74 I75 D76 | V68-S72 PolarHBondContact O-N 2.67Å; V68-S72 PolarHBondContact O-OG 2.88Å; D69-S72 PolarHBondContact O-N 3.26Å; D69-S72 VanDerWaalsContact O-N 3.14Å; S72-W74 PolarHBondContact O-N 2.87Å; S72-I75 PolarHBondContact O-N 2.94Å; S72-I75 VanDerWaalsContact O-N 3.09Å; S72-D76 PolarHBondContact O-N 2.95Å |
| 73 | D | 97.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 75.4 Ų | 75.4 | 32% | 0.316 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.5 | -37.1 | 174.3 | -72.7 | -9.8 | 0 | 0 | 0 | 112 | F57 T59 D69 A77 | F57-D73 HydrophobicContact CE1-CB 4.19Å; T59-D73 HydrophobicContact CG2-CB 4.13Å; T59-D73 WeakPolarHBondContact CG2-OD2 3.32Å; T59-D73 PolarHBondContact OG1-OD2 3.4Å; D69-D73 PolarHBondContact O-N 3.33Å; D73-A77 VanDerWaalsContact O-CB 3.29Å; D73-A77 WeakPolarHBondContact O-CB 3.3Å; D73-A77 PolarHBondContact O-N 3.43Å |
| 74 | W | 96.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 69.7 Ų | 69.7 | 2% | 0.019 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 177.6 | -171.3 | 23.7 | 0 | 0 | 0 | 112 | P27 F28 C35 I48 C50 E55 F57 V70 Y71 S72 A77 C78 | P27-W74 HydrophobicContact CG-CD2 4.34Å; P27-W74 HydrophobicContact CG-CE3 4.3Å; P27-W74 HydrophobicContact CG-CH2 4.49Å; P27-W74 HydrophobicContact CG-CZ2 4.45Å; P27-W74 HydrophobicContact CG-CZ3 4.4Å; F28-W74 HydrophobicContact CD2-CH2 4.39Å; F28-W74 AromaticContact CD2-CZ2 3.82Å; F28-W74 HydrophobicContact CD2-CZ2 3.82Å; F28-W74 AromaticContact CE2-CE2 3.72Å; F28-W74 HydrophobicContact CE2-CH2 4.45Å; F28-W74 AromaticContact CE2-CZ2 3.5Å; F28-W74 HydrophobicContact CE2-CZ2 3.5Å; F28-W74 VanDerWaalsContact CE2-CZ2 3.5Å; F28-W74 AromaticContact CE2-NE1 3.69Å; C35-W74 HydrophobicContact CB-CZ3 4.28Å; I48-W74 HydrophobicContact CB-CE3 4.4Å; I48-W74 HydrophobicContact CD1-CD2 4.45Å; I48-W74 HydrophobicContact CD1-CE3 3.41Å; I48-W74 VanDerWaalsContact CD1-CE3 3.41Å; I48-W74 HydrophobicContact CD1-CZ3 3.64Å; I48-W74 HydrophobicContact CG1-CE3 3.77Å; I48-W74 HydrophobicContact CG1-CZ3 3.7Å; I48-W74 HydrophobicContact CG2-CB 4.11Å; I48-W74 HydrophobicContact CG2-CD2 3.74Å; I48-W74 HydrophobicContact CG2-CE3 3.73Å; I48-W74 HydrophobicContact CG2-CG 3.97Å; I48-W74 HydrophobicContact CG2-CZ3 4.27Å; C50-W74 HydrophobicContact CB-CH2 4.46Å; E55-W74 HydrophobicContact CB-CZ2 4.21Å; E55-W74 HydrophobicContact CG-CZ2 3.98Å; F57-W74 HydrophobicContact CB-CB 4.5Å; F57-W74 HydrophobicContact CB-CD2 4.16Å; F57-W74 HydrophobicContact CB-CG 3.76Å; F57-W74 VanDerWaalsContact CB-NE1 3.34Å; F57-W74 HydrophobicContact CD1-CB 3.53Å; F57-W74 AromaticContact CD1-CD1 3.64Å; F57-W74 AromaticContact CD1-CG 3.71Å; F57-W74 HydrophobicContact CD1-CG 3.71Å; F57-W74 AromaticContact CD2-CD1 3.89Å; F57-W74 HydrophobicContact CE1-CB 3.95Å; F57-W74 HydrophobicContact CE1-CG 4.48Å; F57-W74 HydrophobicContact CG-CB 4.17Å; F57-W74 AromaticContact CG-CD1 3.33Å; F57-W74 AromaticContact CG-CG 3.84Å; F57-W74 HydrophobicContact CG-CG 3.84Å; F57-W74 AromaticContact CG-NE1 3.91Å; V70-W74 PolarHBondContact O-N 2.92Å; V70-W74 VanDerWaalsContact O-N 3.14Å; Y71-W74 HydrophobicContact CD2-CE3 4.24Å; Y71-W74 HydrophobicContact CE2-CE3 4.45Å; Y71-W74 WeakPolarHBondContact O-CB 3.36Å; Y71-W74 PolarHBondContact O-N 3.01Å; S72-W74 PolarHBondContact O-N 2.87Å; W74-A77 PolarHBondContact O-N 2.83Å; W74-C78 WeakPolarHBondContact O-CB 3.39Å; W74-C78 PolarHBondContact O-N 3.26Å; W74-C78 PolarHBondContact O-SG 3.38Å |
| 75 | I | 96.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 20% | 0.195 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 175.5 | -60.6 | -57.6 | 0 | 0 | 0 | 110.3 | P27 Y71 S72 A77 C78 E79 | P27-I75 HydrophobicContact CB-CD1 3.66Å; P27-I75 HydrophobicContact CG-CD1 3.8Å; Y71-I75 HydrophobicContact CD1-CG1 4.48Å; Y71-I75 HydrophobicContact CE1-CD1 4.41Å; Y71-I75 HydrophobicContact CE1-CG1 4.03Å; Y71-I75 HydrophobicContact CE2-CD1 4.06Å; Y71-I75 HydrophobicContact CE2-CG1 4.31Å; Y71-I75 WeakPolarHBondContact O-CG1 3.41Å; Y71-I75 PolarHBondContact O-N 3.39Å; Y71-I75 VanDerWaalsContact O-N 3.13Å; S72-I75 PolarHBondContact O-N 2.94Å; S72-I75 VanDerWaalsContact O-N 3.09Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 2.89Å; I75-C78 WeakPolarHBondContact O-CB 3.41Å; I75-C78 PolarHBondContact O-N 2.95Å; I75-C78 VanDerWaalsContact O-N 3.12Å; I75-E79 HydrophobicContact CG2-CG 4.47Å; I75-E79 WeakPolarHBondContact O-CG 3.48Å; I75-E79 PolarHBondContact O-N 2.91Å |
| 76 | D | 96.6 | Very high | 93.7 | Very high | 98 Ų | 98 | 70.1 Ų | 70.1 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 179.4 | -69.1 | -15.2 | 0 | 0 | 0 | 111.6 | S72 E79 A80 | S72-D76 PolarHBondContact O-N 2.95Å; D76-E79 PolarHBondContact O-N 3.47Å; D76-A80 WeakPolarHBondContact O-CB 3.33Å; D76-A80 PolarHBondContact O-N 3.14Å |
| 77 | A | 95.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 68.2 Ų | 68.2 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F57 D73 W74 I75 A81 | F57-A77 HydrophobicContact CE2-CB 3.69Å; F57-A77 HydrophobicContact CZ-CB 3.68Å; D73-A77 VanDerWaalsContact O-CB 3.29Å; D73-A77 WeakPolarHBondContact O-CB 3.3Å; D73-A77 PolarHBondContact O-N 3.43Å; W74-A77 PolarHBondContact O-N 2.83Å; I75-A77 VanDerWaalsContact C-N 3.3Å; I75-A77 PolarHBondContact O-N 2.89Å; A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.05Å |
| 78 | C | 93.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 70.1 Ų | 70.1 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.2 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | F28 W74 I75 N82 | F28-C78 WeakPolarHBondContact CZ-SG 3.17Å; W74-C78 WeakPolarHBondContact O-CB 3.39Å; W74-C78 PolarHBondContact O-N 3.26Å; W74-C78 PolarHBondContact O-SG 3.38Å; I75-C78 WeakPolarHBondContact O-CB 3.41Å; I75-C78 PolarHBondContact O-N 2.95Å; I75-C78 VanDerWaalsContact O-N 3.12Å; C78-N82 PolarHBondContact O-N 3.09Å; C78-N82 PolarHBondContact O-ND2 2.92Å |
| 79 | E | 94.1 | Very high | 93.6 | Very high | 126 Ų | 126 | 70.6 Ų | 70.6 | 59% | 0.589 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.5 | -44.6 | 177.2 | -70.6 | -176.2 | -177.5 | 0 | 0 | 111.6 | I75 D76 A81 N82 Q83 | I75-E79 HydrophobicContact CG2-CG 4.47Å; I75-E79 WeakPolarHBondContact O-CG 3.48Å; I75-E79 PolarHBondContact O-N 2.91Å; D76-E79 PolarHBondContact O-N 3.47Å; E79-A81 VanDerWaalsContact C-N 3.32Å; E79-A81 PolarHBondContact O-N 3.41Å; E79-N82 PolarHBondContact O-N 3.02Å; E79-N82 VanDerWaalsContact O-N 3.14Å; E79-Q83 PolarHBondContact O-N 3.19Å |
| 80 | A | 94.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 71.1 Ų | 71.1 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | D76 N82 | D76-A80 WeakPolarHBondContact O-CB 3.33Å; D76-A80 PolarHBondContact O-N 3.14Å; A80-N82 VanDerWaalsContact C-N 3.25Å; A80-N82 PolarHBondContact O-N 3.29Å |
| 81 | A | 92.8 | Very high | 93.3 | Very high | 80 Ų | 80 | 76.5 Ų | 76.5 | 66% | 0.661 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -72.3 | -18.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A77 E79 | A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.05Å; E79-A81 VanDerWaalsContact C-N 3.32Å; E79-A81 PolarHBondContact O-N 3.41Å |
| 82 | N | 87.8 | Confident | 93.1 | Very high | 141 Ų | 141 | 78.9 Ų | 78.9 | 75% | 0.754 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 7.7 | -178.9 | -71.5 | -44.2 | 0 | 0 | 0 | 113.5 | C78 E79 A80 | C78-N82 PolarHBondContact O-N 3.09Å; C78-N82 PolarHBondContact O-ND2 2.92Å; E79-N82 PolarHBondContact O-N 3.02Å; E79-N82 VanDerWaalsContact O-N 3.14Å; A80-N82 VanDerWaalsContact C-N 3.25Å; A80-N82 PolarHBondContact O-N 3.29Å |
| 83 | Q | 75.3 | Confident | 92.8 | Very high | 231 Ų | 231 | 81.4 Ų | 81.4 | 100% | 1.079 | 46% | 0.461 | S | S | * | . | trans | -84.6 | 0 | 168.6 | -80.2 | -176.7 | -20.3 | 0 | 0 | 111.8 | E79 | E79-Q83 PolarHBondContact O-N 3.19Š|
Retrieved 83 of 83 residues in 121.5 ms
(Link to these results)