| 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 | 51.2 | Low | 51.8 | Low | 240 Ų | 240 | 124.8 Ų | 124.8 | 100% | 1.182 | 65% | 0.653 | S | S | * | * | 0 | 120.9 | 0 | -64 | -177.8 | -148.6 | 0 | 0 | 106.7 | V3 | M1-V3 PolarHBondContact O-N 3.2Š| |||
| 2 | S | 48.6 | Very low | 51.4 | Low | 127 Ų | 127 | 117.5 Ų | 117.5 | 89% | 0.888 | 63% | 0.63 | S | S | * | * | trans | -62.8 | 125.8 | -166.4 | -51.5 | 0 | 0 | 0 | 0 | 112 | A4 | S2-A4 PolarHBondContact O-N 2.73Å; S2-A4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | V | 52.2 | Low | 51.4 | Low | 138 Ų | 138 | 124.1 Ų | 124.1 | 84% | 0.836 | 65% | 0.65 | S | S | * | * | trans | -62.1 | 112.1 | 168.2 | -71.7 | 0 | 0 | 0 | 0 | 108 | M1 F5 | M1-V3 PolarHBondContact O-N 3.2Å; V3-F5 PolarHBondContact O-N 3.22Å | ||
| 4 | A | 59.6 | Low | 51.4 | Low | 88 Ų | 88 | 120.8 Ų | 120.8 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | trans | -62 | 109.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | S2 V6 | S2-A4 PolarHBondContact O-N 2.73Å; S2-A4 VanDerWaalsContact O-N 3.17Å; A4-V6 PolarHBondContact O-N 3.48Å | ||
| 5 | F | 51.3 | Low | 51.6 | Low | 168 Ų | 168 | 123.4 Ų | 123.4 | 74% | 0.737 | 66% | 0.656 | S | S | * | * | trans | -61.6 | 91.1 | 171.8 | -175.2 | -94.7 | 0 | 0 | 0 | 106.9 | V3 P7 | V3-F5 PolarHBondContact O-N 3.22Å; F5-P7 HydrophobicContact CD1-CB 4.41Å; F5-P7 HydrophobicContact CE1-CB 4.05Å; F5-P7 WeakPolarHBondContact O-CD 3.28Å | ||
| 6 | V | 51 | Low | 52.3 | Low | 82 Ų | 82 | 118.8 Ų | 118.8 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | trans | -74.6 | 103.4 | 165.7 | 172.8 | 0 | 0 | 0 | 0 | 103.9 | A4 D8 L10 | A4-V6 PolarHBondContact O-N 3.48Å; V6-D8 PolarHBondContact O-N 3.15Å; V6-L10 HydrophobicContact CG1-CB 3.54Å; V6-L10 HydrophobicContact CG1-CD1 3.7Å; V6-L10 HydrophobicContact CG1-CG 4.26Å | ||
| 7 | P | 50.6 | Low | 53.5 | Low | 20 Ų | 20 | 116.9 Ų | 116.9 | 13% | 0.13 | 62% | 0.624 | C | S | . | * | trans | -54.3 | 142.9 | -179.5 | 20.6 | -34.7 | 0 | 0 | 0 | 110.8 | F5 W9 L10 | F5-P7 HydrophobicContact CD1-CB 4.41Å; F5-P7 HydrophobicContact CE1-CB 4.05Å; F5-P7 WeakPolarHBondContact O-CD 3.28Å; P7-W9 HydrophobicContact CB-CD2 3.64Å; P7-W9 VanDerWaalsContact CB-CE2 3.44Å; P7-W9 HydrophobicContact CB-CE3 3.71Å; P7-W9 HydrophobicContact CB-CG 4.43Å; P7-W9 HydrophobicContact CB-CH2 3.44Å; P7-W9 VanDerWaalsContact CB-CH2 3.44Å; P7-W9 HydrophobicContact CB-CZ2 3.35Å; P7-W9 HydrophobicContact CB-CZ3 3.62Å; P7-W9 HydrophobicContact CG-CD2 4.04Å; P7-W9 HydrophobicContact CG-CH2 3.85Å; P7-W9 HydrophobicContact CG-CZ2 3.25Å; P7-W9 HydrophobicContact CG-CZ3 4.45Å; P7-W9 PolarHBondContact O-N 3.34Å; P7-L10 HydrophobicContact CG-CD1 3.76Å; P7-L10 HydrophobicContact CG-CG 4.2Å; P7-L10 WeakPolarHBondContact O-CB 3.35Å; P7-L10 PolarHBondContact O-N 3.06Å | ||
| 8 | D | 53.9 | Low | 55 | Low | 125 Ų | 125 | 119.9 Ų | 119.9 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -56.8 | -22.7 | -170.2 | -62.3 | -67.1 | 0 | 0 | 0 | 114.4 | V6 L10 R11 | V6-D8 PolarHBondContact O-N 3.15Å; D8-L10 PolarHBondContact O-N 3.25Å; D8-R11 WeakPolarHBondContact O-CB 3.46Å; D8-R11 PolarHBondContact O-N 3.34Å |
| 9 | W | 53.9 | Low | 56.6 | Low | 134 Ų | 134 | 120.1 Ų | 120.1 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -67.3 | -19.9 | 173.2 | 64.6 | 73.7 | 0 | 0 | 0 | 113.7 | P7 R11 Y60 | P7-W9 HydrophobicContact CB-CD2 3.64Å; P7-W9 VanDerWaalsContact CB-CE2 3.44Å; P7-W9 HydrophobicContact CB-CE3 3.71Å; P7-W9 HydrophobicContact CB-CG 4.43Å; P7-W9 HydrophobicContact CB-CH2 3.44Å; P7-W9 VanDerWaalsContact CB-CH2 3.44Å; P7-W9 HydrophobicContact CB-CZ2 3.35Å; P7-W9 HydrophobicContact CB-CZ3 3.62Å; P7-W9 HydrophobicContact CG-CD2 4.04Å; P7-W9 HydrophobicContact CG-CH2 3.85Å; P7-W9 HydrophobicContact CG-CZ2 3.25Å; P7-W9 HydrophobicContact CG-CZ3 4.45Å; P7-W9 PolarHBondContact O-N 3.34Å; W9-R11 VanDerWaalsContact C-N 3.34Å; W9-Y60 WeakPolarHBondContact O-CE2 3.36Å |
| 10 | L | 49 | Very low | 57.9 | Low | 42 Ų | 42 | 117.1 Ų | 117.1 | 22% | 0.22 | 62% | 0.617 | C | S | . | * | G | 310 helix | trans | -81.1 | -15.7 | 171.4 | -66.4 | 169.7 | 0 | 0 | 0 | 112.3 | V6 P7 D8 I59 Y60 T63 | V6-L10 HydrophobicContact CG1-CB 3.54Å; V6-L10 HydrophobicContact CG1-CD1 3.7Å; V6-L10 HydrophobicContact CG1-CG 4.26Å; P7-L10 HydrophobicContact CG-CD1 3.76Å; P7-L10 HydrophobicContact CG-CG 4.2Å; P7-L10 WeakPolarHBondContact O-CB 3.35Å; P7-L10 PolarHBondContact O-N 3.06Å; D8-L10 PolarHBondContact O-N 3.25Å; L10-I59 HydrophobicContact CD2-CG2 4.42Å; L10-Y60 HydrophobicContact CD2-CD2 4.1Å; L10-T63 HydrophobicContact CD2-CG2 3.96Å; L10-T63 WeakPolarHBondContact CD2-OG1 3.37Å |
| 11 | R | 48.4 | Very low | 59.3 | Low | 209 Ų | 209 | 113.7 Ų | 113.7 | 79% | 0.789 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -91.5 | -3.4 | -172.9 | -142.1 | 172.2 | -164.9 | -106.7 | 0.7 | 113.6 | D8 W9 K13 | D8-R11 WeakPolarHBondContact O-CB 3.46Å; D8-R11 PolarHBondContact O-N 3.34Å; W9-R11 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 3.18Å |
| 12 | G | 47.5 | Very low | 61.1 | Low | 37 Ų | 37 | 107.1 Ų | 107.1 | 38% | 0.381 | 57% | 0.565 | S | S | . | * | trans | -90.6 | 99.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A14 | G12-A14 PolarHBondContact O-N 3.25Š| ||
| 13 | K | 50.4 | Low | 63.1 | Low | 203 Ų | 203 | 108.4 Ų | 108.4 | 88% | 0.883 | 55% | 0.551 | S | S | * | * | trans | -57.3 | 28.8 | 150.5 | -73.9 | -169.7 | 167.5 | -169.3 | 0 | 113.1 | R11 E15 | R11-K13 PolarHBondContact O-N 3.18Å; K13-E15 VanDerWaalsContact C-N 3.26Å; K13-E15 PolarHBondContact O-N 3.06Å | ||
| 14 | A | 52.1 | Low | 64.9 | Low | 78 Ų | 78 | 102.9 Ų | 102.9 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -78.6 | 88 | 177.3 | 0 | 0 | 0 | 0 | 0 | 106 | G12 V16 | G12-A14 PolarHBondContact O-N 3.25Å; A14-V16 PolarHBondContact O-N 2.87Å; A14-V16 VanDerWaalsContact O-N 3.13Å |
| 15 | E | 54.9 | Low | 66.4 | Low | 160 Ų | 160 | 102.6 Ų | 102.6 | 75% | 0.748 | 50% | 0.502 | S | S | * | . | trans | 31 | 77.9 | 161.4 | -68.9 | -81.3 | 100.9 | 0 | 0 | 110.9 | K13 N17 | K13-E15 VanDerWaalsContact C-N 3.26Å; K13-E15 PolarHBondContact O-N 3.06Å; E15-N17 PolarHBondContact O-N 3.08Å; E15-N17 PolarHBondContact O-OD1 3.34Å | ||
| 16 | V | 62.3 | Low | 68.5 | Low | 49 Ų | 49 | 99.4 Ų | 99.4 | 30% | 0.297 | 49% | 0.49 | S | S | . | . | trans | -67.6 | 87.9 | 178.1 | -173.8 | 0 | 0 | 0 | 0 | 106.3 | A14 Q18 I21 I64 | A14-V16 PolarHBondContact O-N 2.87Å; A14-V16 VanDerWaalsContact O-N 3.13Å; V16-Q18 PolarHBondContact O-N 3.25Å; V16-I21 HydrophobicContact CB-CD1 4.47Å; V16-I21 HydrophobicContact CG1-CD1 3.41Å; V16-I21 VanDerWaalsContact CG1-CD1 3.41Å; V16-I21 HydrophobicContact CG1-CG1 3.43Å; V16-I21 VanDerWaalsContact CG1-CG1 3.43Å; V16-I64 HydrophobicContact CB-CD1 4.46Å; V16-I64 HydrophobicContact CB-CG2 4.15Å; V16-I64 HydrophobicContact CG1-CD1 3.56Å; V16-I64 HydrophobicContact CG1-CG1 4.1Å; V16-I64 HydrophobicContact CG1-CG2 3.7Å; V16-I64 HydrophobicContact CG2-CD1 4.02Å; V16-I64 HydrophobicContact CG2-CG1 3.8Å; V16-I64 HydrophobicContact CG2-CG2 4.02Å | ||
| 17 | N | 73.2 | Confident | 70.5 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | trans | -61.6 | 127 | -178.8 | -74.9 | -8.3 | 0 | 0 | 0 | 106.4 | E15 E19 T20 I21 | E15-N17 PolarHBondContact O-N 3.08Å; E15-N17 PolarHBondContact O-OD1 3.34Å; N17-E19 PolarHBondContact O-N 3.02Å; N17-T20 WeakPolarHBondContact O-CA 3.41Å; N17-T20 WeakPolarHBondContact O-CB 3.11Å; N17-T20 PolarHBondContact O-N 2.95Å; N17-I21 PolarHBondContact O-N 2.82Å; N17-I21 VanDerWaalsContact O-N 3.07Å | ||
| 18 | Q | 80 | Confident | 72.5 | Confident | 171 Ų | 171 | 98.8 Ų | 98.8 | 80% | 0.799 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -52 | -32.6 | 175.6 | -68.6 | 176.4 | -47.7 | 0 | 0 | 111.1 | V16 I21 Q22 | V16-Q18 PolarHBondContact O-N 3.25Å; Q18-I21 PolarHBondContact O-N 3.41Å; Q18-Q22 WeakPolarHBondContact O-CB 3.43Å; Q18-Q22 PolarHBondContact O-N 2.85Å |
| 19 | E | 84.7 | Confident | 74.5 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 173.2 | -162.9 | -177.9 | 109.2 | 0 | 0 | 112.9 | N17 Q22 R23 | N17-E19 PolarHBondContact O-N 3.02Å; E19-Q22 PolarHBondContact O-N 3.45Å; E19-R23 VanDerWaalsContact O-CG 3.32Å; E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 3.21Å; E19-R23 IonicContact OE1-CZ 3.2Å; E19-R23 VanDerWaalsContact OE1-CZ 3.3Å; E19-R23 IonicContact OE1-NE 2.76Å; E19-R23 IonicContact OE1-NH2 3.94Å; E19-R23 PolarHBondContact OE1-NH2 3.29Å |
| 20 | T | 83.5 | Confident | 76.4 | Confident | 60 Ų | 60 | 95.9 Ų | 95.9 | 37% | 0.368 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | N17 Q22 R23 L24 | N17-T20 WeakPolarHBondContact O-CA 3.41Å; N17-T20 WeakPolarHBondContact O-CB 3.11Å; N17-T20 PolarHBondContact O-N 2.95Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-R23 PolarHBondContact O-N 3.37Å; T20-L24 HydrophobicContact CG2-CD1 4.35Å; T20-L24 WeakPolarHBondContact O-CG 3.47Å; T20-L24 PolarHBondContact O-N 3.42Å |
| 21 | I | 87.4 | Confident | 78.5 | Confident | 46 Ų | 46 | 94.8 Ų | 94.8 | 24% | 0.236 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 173.4 | -68.7 | 164 | 0 | 0 | 0 | 110.1 | V16 N17 Q18 R23 L24 L25 L61 I64 | V16-I21 HydrophobicContact CB-CD1 4.47Å; V16-I21 HydrophobicContact CG1-CD1 3.41Å; V16-I21 VanDerWaalsContact CG1-CD1 3.41Å; V16-I21 HydrophobicContact CG1-CG1 3.43Å; V16-I21 VanDerWaalsContact CG1-CG1 3.43Å; N17-I21 PolarHBondContact O-N 2.82Å; N17-I21 VanDerWaalsContact O-N 3.07Å; Q18-I21 PolarHBondContact O-N 3.41Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 3.45Å; I21-L24 PolarHBondContact O-N 2.86Å; I21-L25 HydrophobicContact CG2-CD1 3.97Å; I21-L25 HydrophobicContact CG2-CG 4.33Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3.34Å; I21-L61 HydrophobicContact CB-CD2 4.37Å; I21-L61 HydrophobicContact CG1-CD2 4.26Å; I21-L61 HydrophobicContact CG2-CD2 3.88Å; I21-I64 HydrophobicContact CD1-CG2 4.27Å |
| 22 | Q | 89.2 | Confident | 80.7 | Confident | 102 Ų | 102 | 88.7 Ų | 88.7 | 48% | 0.477 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | -179.3 | -170.5 | 61.7 | 47.9 | 0 | 0 | 111.4 | Q18 E19 T20 L24 L25 E26 | Q18-Q22 WeakPolarHBondContact O-CB 3.43Å; Q18-Q22 PolarHBondContact O-N 2.85Å; E19-Q22 PolarHBondContact O-N 3.45Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; Q22-L24 PolarHBondContact O-N 3.39Å; Q22-L25 PolarHBondContact O-N 3.16Å; Q22-E26 WeakPolarHBondContact O-CG 3.2Å; Q22-E26 PolarHBondContact O-N 3.17Å |
| 23 | R | 89.5 | Confident | 82.8 | Confident | 154 Ų | 154 | 94.4 Ų | 94.4 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 175.3 | -71.2 | 177.2 | -172.4 | -168.6 | 3.4 | 112.3 | E19 T20 I21 L25 E26 E27 | E19-R23 VanDerWaalsContact O-CG 3.32Å; E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 3.21Å; E19-R23 IonicContact OE1-CZ 3.2Å; E19-R23 VanDerWaalsContact OE1-CZ 3.3Å; E19-R23 IonicContact OE1-NE 2.76Å; E19-R23 IonicContact OE1-NH2 3.94Å; E19-R23 PolarHBondContact OE1-NH2 3.29Å; T20-R23 PolarHBondContact O-N 3.37Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 3.45Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-E26 PolarHBondContact O-N 3.06Å; R23-E27 WeakPolarHBondContact O-CB 3.02Å; R23-E27 PolarHBondContact O-N 3.42Å |
| 24 | L | 90.1 | Very high | 84.8 | Confident | 22 Ų | 22 | 87 Ų | 87 | 12% | 0.115 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 176.3 | -76.4 | 169 | 0 | 0 | 0 | 112.5 | T20 I21 Q22 N28 Y60 L61 | T20-L24 HydrophobicContact CG2-CD1 4.35Å; T20-L24 WeakPolarHBondContact O-CG 3.47Å; T20-L24 PolarHBondContact O-N 3.42Å; I21-L24 PolarHBondContact O-N 2.86Å; Q22-L24 PolarHBondContact O-N 3.39Å; L24-N28 WeakPolarHBondContact O-CB 3.36Å; L24-N28 PolarHBondContact O-N 2.81Å; L24-N28 PolarHBondContact O-ND2 2.81Å; L24-N28 PolarHBondContact O-OD1 3.45Å; L24-Y60 HydrophobicContact CD1-CD1 3.62Å; L24-Y60 HydrophobicContact CD1-CE1 3.65Å; L24-L61 HydrophobicContact CB-CD1 4.46Å; L24-L61 HydrophobicContact CB-CD2 4.33Å; L24-L61 HydrophobicContact CD1-CD2 4.22Å |
| 25 | L | 92.1 | Very high | 86.7 | Confident | 82 Ų | 82 | 83.8 Ų | 83.8 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 175.1 | -71.3 | 173.3 | 0 | 0 | 0 | 111.6 | I21 Q22 R23 N28 D29 L61 | I21-L25 HydrophobicContact CG2-CD1 3.97Å; I21-L25 HydrophobicContact CG2-CG 4.33Å; I21-L25 WeakPolarHBondContact O-CG 3.38Å; I21-L25 PolarHBondContact O-N 3.34Å; Q22-L25 PolarHBondContact O-N 3.16Å; R23-L25 VanDerWaalsContact C-N 3.34Å; L25-N28 PolarHBondContact O-N 3.39Å; L25-D29 PolarHBondContact O-N 3.31Å; L25-L61 HydrophobicContact CD2-CD1 3.66Å; L25-L61 HydrophobicContact CG-CD1 4.24Å |
| 26 | E | 94.1 | Very high | 88.4 | Confident | 101 Ų | 101 | 79.4 Ų | 79.4 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 173.9 | -72.4 | 174.6 | -176.6 | 0 | 0 | 111.9 | Q22 R23 N28 D29 Q30 | Q22-E26 WeakPolarHBondContact O-CG 3.2Å; Q22-E26 PolarHBondContact O-N 3.17Å; R23-E26 PolarHBondContact O-N 3.06Å; E26-N28 VanDerWaalsContact C-N 3.32Å; E26-N28 PolarHBondContact O-N 3.27Å; E26-D29 PolarHBondContact O-N 3.48Å; E26-Q30 WeakPolarHBondContact O-CG 3.34Å; E26-Q30 PolarHBondContact O-N 3.48Å |
| 27 | E | 93.6 | Very high | 89.8 | Confident | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 174 | -171.2 | -174.6 | 142.7 | 0 | 0 | 110.9 | R23 D29 Q30 L31 N57 | R23-E27 WeakPolarHBondContact O-CB 3.02Å; R23-E27 PolarHBondContact O-N 3.42Å; E27-D29 PolarHBondContact O-N 3.49Å; E27-Q30 PolarHBondContact O-N 3.31Å; E27-L31 HydrophobicContact CG-CD1 4.08Å; E27-L31 HydrophobicContact CG-CG 4.37Å; E27-L31 WeakPolarHBondContact O-CB 3.21Å; E27-L31 WeakPolarHBondContact O-CG 3.41Å; E27-L31 PolarHBondContact O-N 2.88Å; E27-N57 PolarHBondContact OE1-ND2 2.79Å |
| 28 | N | 93.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.032 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.5 | -71.4 | -16.5 | 0 | 0 | 0 | 112.5 | L24 L25 E26 L31 I32 L54 N57 | L24-N28 WeakPolarHBondContact O-CB 3.36Å; L24-N28 PolarHBondContact O-N 2.81Å; L24-N28 PolarHBondContact O-ND2 2.81Å; L24-N28 PolarHBondContact O-OD1 3.45Å; L25-N28 PolarHBondContact O-N 3.39Å; E26-N28 VanDerWaalsContact C-N 3.32Å; E26-N28 PolarHBondContact O-N 3.27Å; N28-L31 PolarHBondContact O-N 3.04Å; N28-I32 WeakPolarHBondContact O-CB 3.43Å; N28-I32 WeakPolarHBondContact O-CD1 3.15Å; N28-I32 VanDerWaalsContact O-CG1 3.22Å; N28-I32 WeakPolarHBondContact O-CG1 3.38Å; N28-I32 PolarHBondContact O-N 3.3Å; N28-L54 HydrophobicContact CB-CD1 3.68Å; N28-N57 WeakPolarHBondContact OD1-CB 3.22Å; N28-N57 PolarHBondContact OD1-ND2 3.41Å |
| 29 | D | 94.8 | Very high | 91 | Very high | 75 Ų | 75 | 77 Ų | 77 | 40% | 0.401 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 175.2 | -171.2 | 71.3 | 0 | 0 | 0 | 111.1 | L25 E26 E27 I32 R33 | L25-D29 PolarHBondContact O-N 3.31Å; E26-D29 PolarHBondContact O-N 3.48Å; E27-D29 PolarHBondContact O-N 3.49Å; D29-I32 PolarHBondContact O-N 2.94Å; D29-R33 WeakPolarHBondContact O-CG 3.34Å; D29-R33 PolarHBondContact O-N 3.29Å; D29-R33 IonicContact OD1-NE 3.81Å; D29-R33 IonicContact OD2-CZ 2.66Å; D29-R33 VanDerWaalsContact OD2-CZ 3.32Å; D29-R33 IonicContact OD2-NE 2.73Å; D29-R33 PolarHBondContact OD2-NE 3.5Å; D29-R33 IonicContact OD2-NH2 3.57Å; D29-R33 PolarHBondContact OD2-NH2 3.34Å |
| 30 | Q | 94 | Very high | 91.3 | Very high | 123 Ų | 123 | 77.6 Ų | 77.6 | 58% | 0.575 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 176.2 | -68.3 | 176 | 26 | 0 | 0 | 111.8 | E26 E27 I32 R33 C34 | E26-Q30 WeakPolarHBondContact O-CG 3.34Å; E26-Q30 PolarHBondContact O-N 3.48Å; E27-Q30 PolarHBondContact O-N 3.31Å; Q30-I32 PolarHBondContact O-N 2.93Å; Q30-R33 PolarHBondContact O-N 3.34Å; Q30-C34 WeakPolarHBondContact O-CB 3.32Å; Q30-C34 PolarHBondContact O-N 2.89Å; Q30-C34 PolarHBondContact O-SG 3.05Å; Q30-C34 VanDerWaalsContact O-SG 3.34Å |
| 31 | L | 93.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 176.7 | -74.9 | 171.1 | 0 | 0 | 0 | 111.2 | E27 N28 C34 I35 Y50 V53 L54 | E27-L31 HydrophobicContact CG-CD1 4.08Å; E27-L31 HydrophobicContact CG-CG 4.37Å; E27-L31 WeakPolarHBondContact O-CB 3.21Å; E27-L31 WeakPolarHBondContact O-CG 3.41Å; E27-L31 PolarHBondContact O-N 2.88Å; N28-L31 PolarHBondContact O-N 3.04Å; L31-C34 PolarHBondContact O-N 3.08Å; L31-I35 WeakPolarHBondContact O-CB 3.41Å; L31-I35 WeakPolarHBondContact O-CD1 3.38Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.46Å; L31-Y50 HydrophobicContact CD2-CD1 3.36Å; L31-Y50 HydrophobicContact CD2-CE1 4.06Å; L31-Y50 HydrophobicContact CD2-CG 4.19Å; L31-V53 HydrophobicContact CD1-CB 4.45Å; L31-V53 HydrophobicContact CD1-CG1 3.87Å; L31-L54 HydrophobicContact CB-CD1 4.49Å; L31-L54 HydrophobicContact CD1-CB 4.42Å |
| 32 | I | 94.1 | Very high | 91.5 | Very high | 82 Ų | 82 | 82.1 Ų | 82.1 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 178.2 | -69.8 | 164.7 | 0 | 0 | 0 | 110.6 | N28 D29 Q30 C34 I35 V36 L54 | N28-I32 WeakPolarHBondContact O-CB 3.43Å; N28-I32 WeakPolarHBondContact O-CD1 3.15Å; N28-I32 VanDerWaalsContact O-CG1 3.22Å; N28-I32 WeakPolarHBondContact O-CG1 3.38Å; N28-I32 PolarHBondContact O-N 3.3Å; D29-I32 PolarHBondContact O-N 2.94Å; Q30-I32 PolarHBondContact O-N 2.93Å; I32-C34 PolarHBondContact O-N 3.33Å; I32-I35 PolarHBondContact O-N 2.89Å; I32-V36 HydrophobicContact CG2-CG2 4.5Å; I32-V36 WeakPolarHBondContact O-CG2 3.34Å; I32-V36 PolarHBondContact O-N 3.18Å; I32-L54 HydrophobicContact CD1-CD1 4.2Å; I32-L54 HydrophobicContact CD1-CD2 4.26Å; I32-L54 HydrophobicContact CG1-CD1 4Å; I32-L54 HydrophobicContact CG1-CD2 3.55Å; I32-L54 HydrophobicContact CG1-CG 4.44Å |
| 33 | R | 93 | Very high | 91.2 | Very high | 156 Ų | 156 | 83.3 Ų | 83.3 | 59% | 0.589 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.6 | -48.6 | 175.9 | -69.8 | 172.6 | -169.8 | -115 | 2.4 | 111.6 | D29 Q30 I35 V36 E37 | D29-R33 WeakPolarHBondContact O-CG 3.34Å; D29-R33 PolarHBondContact O-N 3.29Å; D29-R33 IonicContact OD1-NE 3.81Å; D29-R33 IonicContact OD2-CZ 2.66Å; D29-R33 VanDerWaalsContact OD2-CZ 3.32Å; D29-R33 IonicContact OD2-NE 2.73Å; D29-R33 PolarHBondContact OD2-NE 3.5Å; D29-R33 IonicContact OD2-NH2 3.57Å; D29-R33 PolarHBondContact OD2-NH2 3.34Å; Q30-R33 PolarHBondContact O-N 3.34Å; R33-I35 PolarHBondContact O-N 3.23Å; R33-V36 PolarHBondContact O-N 2.92Å; R33-E37 WeakPolarHBondContact O-CG 3.37Å; R33-E37 PolarHBondContact O-N 3.46Å |
| 34 | C | 91.4 | Very high | 90.8 | Very high | 47 Ų | 47 | 78 Ų | 78 | 32% | 0.318 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 176.9 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | Q30 L31 I32 V36 E37 Y38 | Q30-C34 WeakPolarHBondContact O-CB 3.32Å; Q30-C34 PolarHBondContact O-N 2.89Å; Q30-C34 PolarHBondContact O-SG 3.05Å; Q30-C34 VanDerWaalsContact O-SG 3.34Å; L31-C34 PolarHBondContact O-N 3.08Å; I32-C34 PolarHBondContact O-N 3.33Å; C34-V36 PolarHBondContact O-N 2.92Å; C34-E37 PolarHBondContact O-N 3.36Å; C34-Y38 HydrophobicContact CB-CD2 4.29Å; C34-Y38 HydrophobicContact CB-CE2 4.18Å; C34-Y38 WeakPolarHBondContact O-CB 3.03Å; C34-Y38 WeakPolarHBondContact O-CD2 3.49Å; C34-Y38 PolarHBondContact O-N 2.87Å |
| 35 | I | 92.3 | Very high | 90.5 | Very high | 11 Ų | 11 | 84 Ų | 84 | 6% | 0.056 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 177.3 | -70.4 | 160.4 | 0 | 0 | 0 | 110.5 | L31 I32 R33 E37 Y38 Q39 Y50 Q51 L54 | L31-I35 WeakPolarHBondContact O-CB 3.41Å; L31-I35 WeakPolarHBondContact O-CD1 3.38Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.46Å; I32-I35 PolarHBondContact O-N 2.89Å; R33-I35 PolarHBondContact O-N 3.23Å; I35-E37 PolarHBondContact O-N 3.04Å; I35-Y38 PolarHBondContact O-N 3.42Å; I35-Q39 HydrophobicContact CG2-CG 4.25Å; I35-Q39 WeakPolarHBondContact O-CB 3.48Å; I35-Q39 VanDerWaalsContact O-CG 3.22Å; I35-Q39 WeakPolarHBondContact O-CG 3.37Å; I35-Q39 PolarHBondContact O-N 3.37Å; I35-Y50 VanDerWaalsContact CG1-CB 3.45Å; I35-Y50 HydrophobicContact CG1-CG 4.44Å; I35-Q51 HydrophobicContact CD1-CG 4.04Å; I35-Q51 HydrophobicContact CG2-CG 4.32Å; I35-L54 HydrophobicContact CD1-CB 4.47Å; I35-L54 HydrophobicContact CD1-CD2 3.97Å |
| 36 | V | 91.6 | Very high | 90.3 | Very high | 69 Ų | 69 | 83.2 Ų | 83.2 | 42% | 0.418 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | I32 R33 C34 Q39 N40 | I32-V36 HydrophobicContact CG2-CG2 4.5Å; I32-V36 WeakPolarHBondContact O-CG2 3.34Å; I32-V36 PolarHBondContact O-N 3.18Å; R33-V36 PolarHBondContact O-N 2.92Å; C34-V36 PolarHBondContact O-N 2.92Å; V36-Q39 PolarHBondContact O-N 3.46Å; V36-N40 WeakPolarHBondContact O-CB 3.32Å; V36-N40 VanDerWaalsContact O-CG 3.28Å; V36-N40 PolarHBondContact O-N 3Å; V36-N40 PolarHBondContact O-ND2 3.38Å |
| 37 | E | 91.6 | Very high | 90 | Very high | 105 Ų | 105 | 78.6 Ų | 78.6 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 175 | -75.6 | -174 | -155.7 | 0 | 0 | 112.9 | R33 C34 I35 N40 K41 | R33-E37 WeakPolarHBondContact O-CG 3.37Å; R33-E37 PolarHBondContact O-N 3.46Å; C34-E37 PolarHBondContact O-N 3.36Å; I35-E37 PolarHBondContact O-N 3.04Å; E37-N40 PolarHBondContact O-N 3.48Å; E37-K41 WeakPolarHBondContact O-CG 3.43Å; E37-K41 PolarHBondContact O-N 3.32Å; E37-K41 IonicContact OE2-NZ 3.62Å |
| 38 | Y | 89.9 | Confident | 89.8 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.8 | -36 | 178.2 | -74.7 | -54.2 | 0 | 0 | 0 | 112.1 | C34 I35 K41 G42 R43 E46 C47 Y50 | C34-Y38 HydrophobicContact CB-CD2 4.29Å; C34-Y38 HydrophobicContact CB-CE2 4.18Å; C34-Y38 WeakPolarHBondContact O-CB 3.03Å; C34-Y38 WeakPolarHBondContact O-CD2 3.49Å; C34-Y38 PolarHBondContact O-N 2.87Å; I35-Y38 PolarHBondContact O-N 3.42Å; Y38-K41 CarbonylContact O-C 3.59Å; Y38-K41 PolarHBondContact O-N 2.9Å; Y38-G42 PolarHBondContact O-N 2.96Å; Y38-G42 VanDerWaalsContact O-N 3.08Å; Y38-R43 HydrophobicContact CD1-CB 3.94Å; Y38-R43 HydrophobicContact CD1-CG 4.41Å; Y38-R43 HydrophobicContact CG-CB 4.46Å; Y38-R43 PolarHBondContact O-N 3.02Å; Y38-E46 HydrophobicContact CD2-CB 4.5Å; Y38-E46 WeakPolarHBondContact CE1-OE2 3.27Å; Y38-E46 HydrophobicContact CG-CB 4.48Å; Y38-C47 VanDerWaalsContact C-SG 3.59Å; Y38-C47 WeakPolarHBondContact CB-SG 3.22Å; Y38-Y50 AromaticContact CD2-CD2 3.99Å; Y38-Y50 HydrophobicContact CD2-CD2 3.99Å; Y38-Y50 AromaticContact CD2-CE2 3.81Å; Y38-Y50 HydrophobicContact CD2-CE2 3.81Å; Y38-Y50 HydrophobicContact CE2-CD2 4.02Å; Y38-Y50 AromaticContact CE2-CE2 3.36Å; Y38-Y50 HydrophobicContact CE2-CE2 3.36Å |
| 39 | Q | 88.4 | Confident | 89.6 | Confident | 103 Ų | 103 | 85.4 Ų | 85.4 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 172.4 | -76.3 | 178.6 | -2.7 | 0 | 0 | 110.9 | I35 V36 K41 G42 C47 | I35-Q39 HydrophobicContact CG2-CG 4.25Å; I35-Q39 WeakPolarHBondContact O-CB 3.48Å; I35-Q39 VanDerWaalsContact O-CG 3.22Å; I35-Q39 WeakPolarHBondContact O-CG 3.37Å; I35-Q39 PolarHBondContact O-N 3.37Å; V36-Q39 PolarHBondContact O-N 3.46Å; Q39-K41 VanDerWaalsContact C-N 3.26Å; Q39-K41 PolarHBondContact O-N 3.28Å; Q39-G42 PolarHBondContact O-N 2.76Å; Q39-C47 HydrophobicContact CG-CB 4.3Å; Q39-C47 PolarHBondContact N-SG 3.27Å |
| 40 | N | 89.9 | Confident | 89.4 | Confident | 135 Ų | 135 | 85.7 Ų | 85.7 | 72% | 0.722 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62 | -32.6 | 175 | -73.5 | -31.5 | 0 | 0 | 0 | 112.9 | V36 E37 G42 | V36-N40 WeakPolarHBondContact O-CB 3.32Å; V36-N40 VanDerWaalsContact O-CG 3.28Å; V36-N40 PolarHBondContact O-N 3Å; V36-N40 PolarHBondContact O-ND2 3.38Å; E37-N40 PolarHBondContact O-N 3.48Å; N40-G42 VanDerWaalsContact C-N 3.32Å |
| 41 | K | 89.9 | Confident | 89.3 | Confident | 136 Ų | 136 | 83.9 Ų | 83.9 | 59% | 0.591 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.3 | 175.7 | -69.8 | 171 | -176.1 | 164 | 0 | 113.8 | E37 Y38 Q39 R43 | E37-K41 WeakPolarHBondContact O-CG 3.43Å; E37-K41 PolarHBondContact O-N 3.32Å; E37-K41 IonicContact OE2-NZ 3.62Å; Y38-K41 CarbonylContact O-C 3.59Å; Y38-K41 PolarHBondContact O-N 2.9Å; Q39-K41 VanDerWaalsContact C-N 3.26Å; Q39-K41 PolarHBondContact O-N 3.28Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-R43 HydrophobicContact CB-CG 4.4Å; K41-R43 PolarHBondContact O-N 3.03Å |
| 42 | G | 86.2 | Confident | 89.2 | Confident | 65 Ų | 65 | 88.1 Ų | 88.1 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 17.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y38 Q39 N40 G44 | Y38-G42 PolarHBondContact O-N 2.96Å; Y38-G42 VanDerWaalsContact O-N 3.08Å; Q39-G42 PolarHBondContact O-N 2.76Å; N40-G42 VanDerWaalsContact C-N 3.32Å; G42-G44 VanDerWaalsContact C-N 3.27Å; G42-G44 PolarHBondContact O-N 2.97Å |
| 43 | R | 81.9 | Confident | 89 | Confident | 127 Ų | 127 | 87 Ų | 87 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | trans | -85.8 | 59.4 | -179.2 | -75.7 | 174.3 | 153.3 | -128 | 5.2 | 112.1 | Y38 K41 N45 E46 C47 | Y38-R43 HydrophobicContact CD1-CB 3.94Å; Y38-R43 HydrophobicContact CD1-CG 4.41Å; Y38-R43 HydrophobicContact CG-CB 4.46Å; Y38-R43 PolarHBondContact O-N 3.02Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-R43 HydrophobicContact CB-CG 4.4Å; K41-R43 PolarHBondContact O-N 3.03Å; R43-N45 VanDerWaalsContact C-N 3.28Å; R43-N45 PolarHBondContact O-N 3.38Å; R43-N45 VanDerWaalsContact O-N 3.15Å; R43-E46 VanDerWaalsContact CD-OE2 3.28Å; R43-E46 WeakPolarHBondContact CD-OE2 3.5Å; R43-E46 IonicContact CZ-OE2 3.99Å; R43-E46 IonicContact NE-OE2 3.02Å; R43-E46 IonicContact NH1-OE1 3.3Å; R43-E46 PolarHBondContact NH1-OE1 2.93Å; R43-E46 IonicContact NH1-OE2 3.32Å; R43-E46 PolarHBondContact NH1-OE2 3.41Å; R43-E46 PolarHBondContact O-N 3.49Å; R43-C47 PolarHBondContact O-N 2.92Å; R43-C47 PolarHBondContact O-SG 2.66Å | ||
| 44 | G | 81.6 | Confident | 89 | Confident | 42 Ų | 42 | 80.7 Ų | 80.7 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.3 | -35 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G42 C47 V48 | G42-G44 VanDerWaalsContact C-N 3.27Å; G42-G44 PolarHBondContact O-N 2.97Å; G44-C47 WeakPolarHBondContact O-CB 3.04Å; G44-C47 PolarHBondContact O-N 3.26Å; G44-V48 WeakPolarHBondContact O-CG2 3.31Å; G44-V48 PolarHBondContact O-N 2.84Å |
| 45 | N | 84.3 | Confident | 89 | Confident | 147 Ų | 147 | 83.8 Ų | 83.8 | 79% | 0.786 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.4 | -41.1 | -179 | -70.6 | -42.5 | 0 | 0 | 0 | 113 | R43 | R43-N45 VanDerWaalsContact C-N 3.28Å; R43-N45 PolarHBondContact O-N 3.38Å; R43-N45 VanDerWaalsContact O-N 3.15Å |
| 46 | E | 86.2 | Confident | 88.9 | Confident | 67 Ų | 67 | 89 Ų | 89 | 31% | 0.313 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.9 | -38 | 177.6 | -71.1 | 172.9 | 141.6 | 0 | 0 | 110.2 | Y38 R43 V48 Q49 Y50 | Y38-E46 HydrophobicContact CD2-CB 4.5Å; Y38-E46 WeakPolarHBondContact CE1-OE2 3.27Å; Y38-E46 HydrophobicContact CG-CB 4.48Å; R43-E46 VanDerWaalsContact CD-OE2 3.28Å; R43-E46 WeakPolarHBondContact CD-OE2 3.5Å; R43-E46 IonicContact CZ-OE2 3.99Å; R43-E46 IonicContact NE-OE2 3.02Å; R43-E46 IonicContact NH1-OE1 3.3Å; R43-E46 PolarHBondContact NH1-OE1 2.93Å; R43-E46 IonicContact NH1-OE2 3.32Å; R43-E46 PolarHBondContact NH1-OE2 3.41Å; R43-E46 PolarHBondContact O-N 3.49Å; E46-V48 VanDerWaalsContact C-N 3.29Å; E46-V48 PolarHBondContact O-N 2.91Å; E46-Q49 PolarHBondContact O-N 2.97Å; E46-Y50 HydrophobicContact CB-CD2 4.47Å; E46-Y50 HydrophobicContact CB-CE2 4.27Å; E46-Y50 WeakPolarHBondContact O-CD2 3.43Å; E46-Y50 PolarHBondContact O-N 3.45Å |
| 47 | C | 88.6 | Confident | 88.8 | Confident | 4 Ų | 4 | 86.7 Ų | 86.7 | 3% | 0.027 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -55.4 | -43.2 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | Y38 Q39 R43 G44 Q49 Y50 Q51 | Y38-C47 VanDerWaalsContact C-SG 3.59Å; Y38-C47 WeakPolarHBondContact CB-SG 3.22Å; Q39-C47 HydrophobicContact CG-CB 4.3Å; Q39-C47 PolarHBondContact N-SG 3.27Å; R43-C47 PolarHBondContact O-N 2.92Å; R43-C47 PolarHBondContact O-SG 2.66Å; G44-C47 WeakPolarHBondContact O-CB 3.04Å; G44-C47 PolarHBondContact O-N 3.26Å; C47-Q49 VanDerWaalsContact C-N 3.34Å; C47-Q49 PolarHBondContact O-N 3.46Å; C47-Y50 PolarHBondContact O-N 3.35Å; C47-Q51 WeakPolarHBondContact O-CB 3.32Å; C47-Q51 WeakPolarHBondContact O-CG 3.5Å; C47-Q51 PolarHBondContact O-N 3.07Å |
| 48 | V | 89 | Confident | 88.7 | Confident | 90 Ų | 90 | 86 Ų | 86 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | -177.9 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | G44 E46 Q51 H52 | G44-V48 WeakPolarHBondContact O-CG2 3.31Å; G44-V48 PolarHBondContact O-N 2.84Å; E46-V48 VanDerWaalsContact C-N 3.29Å; E46-V48 PolarHBondContact O-N 2.91Å; V48-Q51 PolarHBondContact O-N 3.29Å; V48-H52 PolarHBondContact O-N 3.19Å |
| 49 | Q | 90.1 | Very high | 88.7 | Confident | 143 Ų | 143 | 87 Ų | 87 | 67% | 0.668 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.9 | -47.7 | 178.2 | -65.2 | -171.2 | 8.3 | 0 | 0 | 111.1 | E46 C47 Q51 H52 V53 | E46-Q49 PolarHBondContact O-N 2.97Å; C47-Q49 VanDerWaalsContact C-N 3.34Å; C47-Q49 PolarHBondContact O-N 3.46Å; Q49-Q51 VanDerWaalsContact C-N 3.32Å; Q49-Q51 PolarHBondContact O-N 3.4Å; Q49-H52 PolarHBondContact O-N 3.44Å; Q49-H52 VanDerWaalsContact O-N 3.17Å; Q49-V53 PolarHBondContact O-N 2.92Å; Q49-V53 VanDerWaalsContact O-N 3.16Å |
| 50 | Y | 91 | Very high | 88.6 | Confident | 80 Ų | 80 | 84.9 Ų | 84.9 | 31% | 0.314 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | 177.5 | -69.2 | -60.2 | 0 | 0 | 0 | 112.5 | L31 I35 Y38 E46 C47 H52 V53 L54 | L31-Y50 HydrophobicContact CD2-CD1 3.36Å; L31-Y50 HydrophobicContact CD2-CE1 4.06Å; L31-Y50 HydrophobicContact CD2-CG 4.19Å; I35-Y50 VanDerWaalsContact CG1-CB 3.45Å; I35-Y50 HydrophobicContact CG1-CG 4.44Å; Y38-Y50 AromaticContact CD2-CD2 3.99Å; Y38-Y50 HydrophobicContact CD2-CD2 3.99Å; Y38-Y50 AromaticContact CD2-CE2 3.81Å; Y38-Y50 HydrophobicContact CD2-CE2 3.81Å; Y38-Y50 HydrophobicContact CE2-CD2 4.02Å; Y38-Y50 AromaticContact CE2-CE2 3.36Å; Y38-Y50 HydrophobicContact CE2-CE2 3.36Å; E46-Y50 HydrophobicContact CB-CD2 4.47Å; E46-Y50 HydrophobicContact CB-CE2 4.27Å; E46-Y50 WeakPolarHBondContact O-CD2 3.43Å; E46-Y50 PolarHBondContact O-N 3.45Å; C47-Y50 PolarHBondContact O-N 3.35Å; Y50-H52 VanDerWaalsContact C-N 3.32Å; Y50-H52 PolarHBondContact O-N 2.81Å; Y50-V53 PolarHBondContact O-N 2.98Å; Y50-L54 VanDerWaalsContact O-CB 3.32Å; Y50-L54 WeakPolarHBondContact O-CB 3.38Å; Y50-L54 PolarHBondContact O-N 2.79Å |
| 51 | Q | 91.2 | Very high | 88.5 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 173.3 | -78.1 | 173.5 | 3.9 | 0 | 0 | 112.2 | I35 C47 V48 Q49 L54 H55 | I35-Q51 HydrophobicContact CD1-CG 4.04Å; I35-Q51 HydrophobicContact CG2-CG 4.32Å; C47-Q51 WeakPolarHBondContact O-CB 3.32Å; C47-Q51 WeakPolarHBondContact O-CG 3.5Å; C47-Q51 PolarHBondContact O-N 3.07Å; V48-Q51 PolarHBondContact O-N 3.29Å; Q49-Q51 VanDerWaalsContact C-N 3.32Å; Q49-Q51 PolarHBondContact O-N 3.4Å; Q51-L54 PolarHBondContact O-N 3.48Å; Q51-H55 VanDerWaalsContact O-CB 3.29Å; Q51-H55 WeakPolarHBondContact O-CB 3.29Å; Q51-H55 PolarHBondContact O-N 3.23Å |
| 52 | H | 91.1 | Very high | 88.3 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 178.8 | -164.5 | 78 | 0 | 0 | 0 | 112 | V48 Q49 Y50 R56 | V48-H52 PolarHBondContact O-N 3.19Å; Q49-H52 PolarHBondContact O-N 3.44Å; Q49-H52 VanDerWaalsContact O-N 3.17Å; Y50-H52 VanDerWaalsContact C-N 3.32Å; Y50-H52 PolarHBondContact O-N 2.81Å; H52-R56 PolarHBondContact NE2-NH1 3.49Å; H52-R56 PolarHBondContact O-N 3.06Å |
| 53 | V | 90 | Very high | 88.2 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -49.9 | 174.5 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L31 Q49 Y50 H55 R56 N57 | L31-V53 HydrophobicContact CD1-CB 4.45Å; L31-V53 HydrophobicContact CD1-CG1 3.87Å; Q49-V53 PolarHBondContact O-N 2.92Å; Q49-V53 VanDerWaalsContact O-N 3.16Å; Y50-V53 PolarHBondContact O-N 2.98Å; V53-H55 VanDerWaalsContact C-N 3.31Å; V53-H55 PolarHBondContact O-N 3.35Å; V53-R56 WeakPolarHBondContact O-CB 3.46Å; V53-R56 PolarHBondContact O-N 2.92Å; V53-R56 VanDerWaalsContact O-N 3.08Å; V53-N57 PolarHBondContact O-N 3Å |
| 54 | L | 92.4 | Very high | 88.2 | Confident | 23 Ų | 23 | 69.4 Ų | 69.4 | 12% | 0.12 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.5 | -46.2 | 177.1 | 178.6 | 64.7 | 0 | 0 | 0 | 111.5 | N28 L31 I32 I35 Y50 Q51 R56 N57 L58 | N28-L54 HydrophobicContact CB-CD1 3.68Å; L31-L54 HydrophobicContact CB-CD1 4.49Å; L31-L54 HydrophobicContact CD1-CB 4.42Å; I32-L54 HydrophobicContact CD1-CD1 4.2Å; I32-L54 HydrophobicContact CD1-CD2 4.26Å; I32-L54 HydrophobicContact CG1-CD1 4Å; I32-L54 HydrophobicContact CG1-CD2 3.55Å; I32-L54 HydrophobicContact CG1-CG 4.44Å; I35-L54 HydrophobicContact CD1-CB 4.47Å; I35-L54 HydrophobicContact CD1-CD2 3.97Å; Y50-L54 VanDerWaalsContact O-CB 3.32Å; Y50-L54 WeakPolarHBondContact O-CB 3.38Å; Y50-L54 PolarHBondContact O-N 2.79Å; Q51-L54 PolarHBondContact O-N 3.48Å; L54-R56 VanDerWaalsContact C-N 3.35Å; L54-R56 PolarHBondContact O-N 2.83Å; L54-N57 PolarHBondContact O-N 2.8Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CG 4.34Å; L54-L58 HydrophobicContact CG-CD1 4.15Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 VanDerWaalsContact O-CG 3.32Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.4Å |
| 55 | H | 91.1 | Very high | 88 | Confident | 113 Ų | 113 | 69.8 Ų | 69.8 | 52% | 0.523 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.6 | -174.9 | -89.3 | 0 | 0 | 0 | 111.8 | Q51 V53 L58 I59 | Q51-H55 VanDerWaalsContact O-CB 3.29Å; Q51-H55 WeakPolarHBondContact O-CB 3.29Å; Q51-H55 PolarHBondContact O-N 3.23Å; V53-H55 VanDerWaalsContact C-N 3.31Å; V53-H55 PolarHBondContact O-N 3.35Å; H55-L58 PolarHBondContact O-N 3.04Å; H55-I59 WeakPolarHBondContact O-CB 3.37Å; H55-I59 VanDerWaalsContact O-CG1 3.27Å; H55-I59 WeakPolarHBondContact O-CG1 3.42Å; H55-I59 PolarHBondContact O-N 3.33Å |
| 56 | R | 90.3 | Very high | 87.8 | Confident | 119 Ų | 119 | 69.5 Ų | 69.5 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.3 | -100.3 | -173.1 | 174.7 | 127.6 | 0.3 | 112.2 | H52 V53 L54 L58 I59 Y60 | H52-R56 PolarHBondContact NE2-NH1 3.49Å; H52-R56 PolarHBondContact O-N 3.06Å; V53-R56 WeakPolarHBondContact O-CB 3.46Å; V53-R56 PolarHBondContact O-N 2.92Å; V53-R56 VanDerWaalsContact O-N 3.08Å; L54-R56 VanDerWaalsContact C-N 3.35Å; L54-R56 PolarHBondContact O-N 2.83Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3.18Å; R56-I59 PolarHBondContact O-N 2.73Å; R56-Y60 VanDerWaalsContact O-CB 3.31Å; R56-Y60 WeakPolarHBondContact O-CB 3.47Å; R56-Y60 PolarHBondContact O-N 3.37Å |
| 57 | N | 89.2 | Confident | 87.1 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.112 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 179.9 | -70.9 | -0.8 | 0 | 0 | 0 | 111.1 | E27 N28 V53 L54 Y60 L61 | E27-N57 PolarHBondContact OE1-ND2 2.79Å; N28-N57 WeakPolarHBondContact OD1-CB 3.22Å; N28-N57 PolarHBondContact OD1-ND2 3.41Å; V53-N57 PolarHBondContact O-N 3Å; L54-N57 PolarHBondContact O-N 2.8Å; N57-Y60 PolarHBondContact O-N 3.39Å; N57-L61 WeakPolarHBondContact O-CB 3.49Å; N57-L61 VanDerWaalsContact O-CG 3.29Å; N57-L61 WeakPolarHBondContact O-CG 3.45Å; N57-L61 PolarHBondContact O-N 3.26Å |
| 58 | L | 90.3 | Very high | 85.8 | Confident | 90 Ų | 90 | 71.8 Ų | 71.8 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 176.5 | -70.4 | 175.8 | 0 | 0 | 0 | 112.5 | L54 H55 R56 Y60 L61 A62 | L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CG 4.34Å; L54-L58 HydrophobicContact CG-CD1 4.15Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 VanDerWaalsContact O-CG 3.32Å; L54-L58 WeakPolarHBondContact O-CG 3.39Å; L54-L58 PolarHBondContact O-N 3.4Å; H55-L58 PolarHBondContact O-N 3.04Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3.18Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.39Å; L58-L61 PolarHBondContact O-N 3.23Å; L58-A62 VanDerWaalsContact O-CB 3.31Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.13Å |
| 59 | I | 90 | Very high | 84.3 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 174.8 | -66.5 | -62.8 | 0 | 0 | 0 | 110.4 | L10 H55 R56 A62 T63 | L10-I59 HydrophobicContact CD2-CG2 4.42Å; H55-I59 WeakPolarHBondContact O-CB 3.37Å; H55-I59 VanDerWaalsContact O-CG1 3.27Å; H55-I59 WeakPolarHBondContact O-CG1 3.42Å; H55-I59 PolarHBondContact O-N 3.33Å; R56-I59 PolarHBondContact O-N 2.73Å; I59-A62 PolarHBondContact O-N 2.83Å; I59-T63 HydrophobicContact CG2-CG2 4.29Å; I59-T63 WeakPolarHBondContact O-CG2 3.3Å; I59-T63 PolarHBondContact O-N 2.9Å; I59-T63 PolarHBondContact O-OG1 3.38Å |
| 60 | Y | 87.1 | Confident | 82.6 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 176.2 | -178 | -110.9 | 0 | 0 | 0 | 111.4 | W9 L10 L24 R56 N57 L58 A62 T63 I64 | W9-Y60 WeakPolarHBondContact O-CE2 3.36Å; L10-Y60 HydrophobicContact CD2-CD2 4.1Å; L24-Y60 HydrophobicContact CD1-CD1 3.62Å; L24-Y60 HydrophobicContact CD1-CE1 3.65Å; R56-Y60 VanDerWaalsContact O-CB 3.31Å; R56-Y60 WeakPolarHBondContact O-CB 3.47Å; R56-Y60 PolarHBondContact O-N 3.37Å; N57-Y60 PolarHBondContact O-N 3.39Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.39Å; Y60-A62 VanDerWaalsContact C-N 3.33Å; Y60-A62 PolarHBondContact O-N 3.23Å; Y60-T63 WeakPolarHBondContact CA-OG1 3.47Å; Y60-T63 PolarHBondContact O-N 2.94Å; Y60-T63 PolarHBondContact O-OG1 3.17Å; Y60-I64 HydrophobicContact CD1-CD1 3.6Å; Y60-I64 HydrophobicContact CD2-CD1 4.42Å; Y60-I64 HydrophobicContact CE1-CD1 3.27Å; Y60-I64 HydrophobicContact CE1-CG1 4.44Å; Y60-I64 HydrophobicContact CE2-CD1 4.15Å; Y60-I64 HydrophobicContact CG-CD1 4.17Å; Y60-I64 VanDerWaalsContact O-CG1 3.3Å; Y60-I64 WeakPolarHBondContact O-CG1 3.11Å; Y60-I64 PolarHBondContact O-N 3.23Å |
| 61 | L | 86.7 | Confident | 80.6 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 13% | 0.126 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 175.1 | -71.2 | 172.5 | 0 | 0 | 0 | 112.5 | I21 L24 L25 N57 L58 I64 A65 | I21-L61 HydrophobicContact CB-CD2 4.37Å; I21-L61 HydrophobicContact CG1-CD2 4.26Å; I21-L61 HydrophobicContact CG2-CD2 3.88Å; L24-L61 HydrophobicContact CB-CD1 4.46Å; L24-L61 HydrophobicContact CB-CD2 4.33Å; L24-L61 HydrophobicContact CD1-CD2 4.22Å; L25-L61 HydrophobicContact CD2-CD1 3.66Å; L25-L61 HydrophobicContact CG-CD1 4.24Å; N57-L61 WeakPolarHBondContact O-CB 3.49Å; N57-L61 VanDerWaalsContact O-CG 3.29Å; N57-L61 WeakPolarHBondContact O-CG 3.45Å; N57-L61 PolarHBondContact O-N 3.26Å; L58-L61 PolarHBondContact O-N 3.23Å; L61-I64 WeakPolarHBondContact O-CB 3.41Å; L61-I64 PolarHBondContact O-N 2.66Å; L61-A65 WeakPolarHBondContact O-CB 3.44Å; L61-A65 PolarHBondContact O-N 2.94Å |
| 62 | A | 85.7 | Confident | 78.5 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L58 I59 Y60 I64 A65 D66 | L58-A62 VanDerWaalsContact O-CB 3.31Å; L58-A62 WeakPolarHBondContact O-CB 3.35Å; L58-A62 PolarHBondContact O-N 3.13Å; I59-A62 PolarHBondContact O-N 2.83Å; Y60-A62 VanDerWaalsContact C-N 3.33Å; Y60-A62 PolarHBondContact O-N 3.23Å; A62-I64 VanDerWaalsContact C-N 3.28Å; A62-I64 PolarHBondContact O-N 3.3Å; A62-A65 PolarHBondContact O-N 2.8Å; A62-A65 VanDerWaalsContact O-N 3.13Å; A62-D66 WeakPolarHBondContact O-CB 3.4Å; A62-D66 PolarHBondContact O-N 2.77Å |
| 63 | T | 84.2 | Confident | 76.3 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 28% | 0.276 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -34 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | L10 I59 Y60 A67 | L10-T63 HydrophobicContact CD2-CG2 3.96Å; L10-T63 WeakPolarHBondContact CD2-OG1 3.37Å; I59-T63 HydrophobicContact CG2-CG2 4.29Å; I59-T63 WeakPolarHBondContact O-CG2 3.3Å; I59-T63 PolarHBondContact O-N 2.9Å; I59-T63 PolarHBondContact O-OG1 3.38Å; Y60-T63 WeakPolarHBondContact CA-OG1 3.47Å; Y60-T63 PolarHBondContact O-N 2.94Å; Y60-T63 PolarHBondContact O-OG1 3.17Å; T63-A67 WeakPolarHBondContact O-CB 3.47Å; T63-A67 PolarHBondContact O-N 3.38Å |
| 64 | I | 81.2 | Confident | 74 | Confident | 27 Ų | 27 | 81 Ų | 81 | 14% | 0.138 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 171.5 | -72.5 | 164.6 | 0 | 0 | 0 | 110.2 | V16 I21 Y60 L61 A62 A67 S68 | V16-I64 HydrophobicContact CB-CD1 4.46Å; V16-I64 HydrophobicContact CB-CG2 4.15Å; V16-I64 HydrophobicContact CG1-CD1 3.56Å; V16-I64 HydrophobicContact CG1-CG1 4.1Å; V16-I64 HydrophobicContact CG1-CG2 3.7Å; V16-I64 HydrophobicContact CG2-CD1 4.02Å; V16-I64 HydrophobicContact CG2-CG1 3.8Å; V16-I64 HydrophobicContact CG2-CG2 4.02Å; I21-I64 HydrophobicContact CD1-CG2 4.27Å; Y60-I64 HydrophobicContact CD1-CD1 3.6Å; Y60-I64 HydrophobicContact CD2-CD1 4.42Å; Y60-I64 HydrophobicContact CE1-CD1 3.27Å; Y60-I64 HydrophobicContact CE1-CG1 4.44Å; Y60-I64 HydrophobicContact CE2-CD1 4.15Å; Y60-I64 HydrophobicContact CG-CD1 4.17Å; Y60-I64 VanDerWaalsContact O-CG1 3.3Å; Y60-I64 WeakPolarHBondContact O-CG1 3.11Å; Y60-I64 PolarHBondContact O-N 3.23Å; L61-I64 WeakPolarHBondContact O-CB 3.41Å; L61-I64 PolarHBondContact O-N 2.66Å; A62-I64 VanDerWaalsContact C-N 3.28Å; A62-I64 PolarHBondContact O-N 3.3Å; I64-A67 CarbonylContact O-C 3.55Å; I64-A67 PolarHBondContact O-N 3.33Å; I64-S68 WeakPolarHBondContact O-CB 3.31Å; I64-S68 PolarHBondContact O-N 2.9Å |
| 65 | A | 79 | Confident | 71.5 | Confident | 50 Ų | 50 | 84 Ų | 84 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L61 A62 S68 | L61-A65 WeakPolarHBondContact O-CB 3.44Å; L61-A65 PolarHBondContact O-N 2.94Å; A62-A65 PolarHBondContact O-N 2.8Å; A62-A65 VanDerWaalsContact O-N 3.13Å; A65-S68 WeakPolarHBondContact O-CB 3.45Å; A65-S68 PolarHBondContact O-N 2.73Å; A65-S68 PolarHBondContact O-OG 3.13Å |
| 66 | D | 78.5 | Confident | 69.2 | Low | 140 Ų | 140 | 86.5 Ų | 86.5 | 75% | 0.749 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.5 | -36.8 | 175.2 | -74.2 | -22.9 | 0 | 0 | 0 | 112.3 | A62 S68 | A62-D66 WeakPolarHBondContact O-CB 3.4Å; A62-D66 PolarHBondContact O-N 2.77Å; D66-S68 VanDerWaalsContact C-N 3.34Å |
| 67 | A | 71.7 | Confident | 66.8 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.8 | -24.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | T63 I64 P69 | T63-A67 WeakPolarHBondContact O-CB 3.47Å; T63-A67 PolarHBondContact O-N 3.38Å; I64-A67 CarbonylContact O-C 3.55Å; I64-A67 PolarHBondContact O-N 3.33Å; A67-P69 WeakPolarHBondContact O-CD 3.44Å |
| 68 | S | 62.8 | Low | 65.7 | Low | 45 Ų | 45 | 97.1 Ų | 97.1 | 32% | 0.315 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -64.4 | 125.2 | 169.2 | 84.5 | 0 | 0 | 0 | 0 | 106.9 | I64 A65 D66 T70 | I64-S68 WeakPolarHBondContact O-CB 3.31Å; I64-S68 PolarHBondContact O-N 2.9Å; A65-S68 WeakPolarHBondContact O-CB 3.45Å; A65-S68 PolarHBondContact O-N 2.73Å; A65-S68 PolarHBondContact O-OG 3.13Å; D66-S68 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 2.64Å; S68-T70 WeakPolarHBondContact OG-CG2 3.48Å |
| 69 | P | 57.4 | Low | 64.4 | Low | 132 Ų | 132 | 97.4 Ų | 97.4 | 86% | 0.857 | 57% | 0.574 | S | S | * | * | trans | -74.2 | 61.5 | 178.4 | 32 | -35.5 | 0 | 0 | 0 | 109.4 | A67 S71 | A67-P69 WeakPolarHBondContact O-CD 3.44Å; P69-S71 PolarHBondContact O-N 3.03Å | ||
| 70 | T | 52.8 | Low | 62.9 | Low | 102 Ų | 102 | 98.8 Ų | 98.8 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | trans | -76.3 | 76.8 | 164.3 | 55.7 | 0 | 0 | 0 | 0 | 107.1 | S68 T72 | S68-T70 PolarHBondContact O-N 2.64Å; S68-T70 WeakPolarHBondContact OG-CG2 3.48Å; T70-T72 PolarHBondContact O-N 2.89Å | ||
| 71 | S | 50 | Low | 61.5 | Low | 100 Ų | 100 | 101.3 Ų | 101.3 | 70% | 0.699 | 61% | 0.607 | S | S | * | * | trans | 24.4 | 77.3 | 151.9 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | P69 S73 | P69-S71 PolarHBondContact O-N 3.03Å; S71-S73 PolarHBondContact O-N 2.97Å | ||
| 72 | T | 46.9 | Very low | 60 | Low | 136 Ų | 136 | 106.1 Ų | 106.1 | 83% | 0.834 | 64% | 0.637 | S | S | * | * | trans | -68.4 | 65.8 | 153.6 | 9.6 | 0 | 0 | 0 | 0 | 108.1 | T70 K74 | T70-T72 PolarHBondContact O-N 2.89Å; T72-K74 PolarHBondContact O-N 2.84Å | ||
| 73 | S | 44.6 | Very low | 58.2 | Low | 114 Ų | 114 | 110.3 Ų | 110.3 | 80% | 0.797 | 66% | 0.656 | S | S | * | * | trans | -77.8 | 64.4 | 153.5 | -70.9 | 0 | 0 | 0 | 0 | 107.5 | S71 A75 | S71-S73 PolarHBondContact O-N 2.97Å; S73-A75 VanDerWaalsContact C-N 3.34Å | ||
| 74 | K | 42.5 | Very low | 56.4 | Low | 173 Ų | 173 | 115 Ų | 115 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | trans | -103.2 | 60.8 | 155.2 | -166.7 | -178.1 | -175.6 | 174.9 | 0 | 106.5 | T72 | T72-K74 PolarHBondContact O-N 2.84Š| ||
| 75 | A | 40.5 | Very low | 54.5 | Low | 87 Ų | 87 | 121.8 Ų | 121.8 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | trans | -84.7 | 113.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 103.1 | S73 | S73-A75 VanDerWaalsContact C-N 3.34Š| ||
| 76 | M | 42.4 | Very low | 52.4 | Low | 166 Ų | 166 | 127.8 Ų | 127.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | 44.2 | 53.9 | 36 | -143.5 | 165.3 | -162.1 | 0 | 0 | 112.4 | ||||
| 77 | E | 39.2 | Very low | 50.1 | Low | 264 Ų | 264 | 126.6 Ų | 126.6 | 100% | 1.234 | 75% | 0.751 | S | S | * | * | -172.8 | 0 | 117.7 | -96.5 | -175.8 | 102.5 | 0 | 0 | 109.6 |
Retrieved 77 of 77 residues in 682.9 ms
(Link to these results)