| 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 | 37.5 | Very low | 62.9 | Low | 244 Ų | 244 | 110.5 Ų | 110.5 | 100% | 1.202 | 58% | 0.582 | S | S | * | * | 0 | 114.5 | 0 | -73.1 | 176.3 | 170 | 0 | 0 | 108.1 | |||||
| 2 | S | 43.2 | Very low | 65.2 | Low | 103 Ų | 103 | 109.6 Ų | 109.6 | 72% | 0.72 | 58% | 0.584 | S | S | * | * | trans | -82.5 | 133.1 | -178.3 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | K | 43.5 | Very low | 67.2 | Low | 195 Ų | 195 | 108.2 Ų | 108.2 | 85% | 0.848 | 57% | 0.572 | S | S | * | * | trans | -89.2 | 118.2 | 173.7 | -66.4 | 179.3 | 179.8 | 177.5 | 0 | 108.4 | S5 | K3-S5 VanDerWaalsContact C-N 3.27Å; K3-S5 PolarHBondContact O-N 3.05Å | ||
| 4 | L | 50.8 | Low | 69.1 | Low | 57 Ų | 57 | 100.6 Ų | 100.6 | 30% | 0.298 | 53% | 0.531 | S | S | . | . | trans | -89.1 | 24.6 | -173.2 | -71.9 | 162.7 | 0 | 0 | 0 | 113.8 | D6 T7 Q53 | L4-D6 PolarHBondContact O-N 2.89Å; L4-D6 VanDerWaalsContact O-N 3.14Å; L4-T7 PolarHBondContact O-N 2.77Å; L4-T7 PolarHBondContact O-OG1 3Å; L4-Q53 HydrophobicContact CD1-CB 4.12Å; L4-Q53 WeakPolarHBondContact CD1-O 3.35Å; L4-Q53 HydrophobicContact CD2-CB 3.78Å | ||
| 5 | S | 55.6 | Low | 70.7 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 67% | 0.671 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.1 | -169.5 | 35.8 | 0 | 0 | 0 | 0 | 115.1 | K3 | K3-S5 VanDerWaalsContact C-N 3.27Å; K3-S5 PolarHBondContact O-N 3.05Å |
| 6 | D | 56.1 | Low | 72.1 | Confident | 144 Ų | 144 | 96.2 Ų | 96.2 | 77% | 0.77 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 11 | -166.6 | -60.4 | -91.2 | 0 | 0 | 0 | 113.1 | L4 K8 | L4-D6 PolarHBondContact O-N 2.89Å; L4-D6 VanDerWaalsContact O-N 3.14Å; D6-K8 PolarHBondContact O-N 2.9Å |
| 7 | T | 66.3 | Low | 73.5 | Confident | 50 Ų | 50 | 90.7 Ų | 90.7 | 31% | 0.307 | 48% | 0.476 | S | S | . | . | trans | -72.3 | 87.7 | 178.1 | -45.9 | 0 | 0 | 0 | 0 | 110.3 | L4 I9 I51 | L4-T7 PolarHBondContact O-N 2.77Å; L4-T7 PolarHBondContact O-OG1 3Å; T7-I9 VanDerWaalsContact C-N 3.28Å; T7-I9 PolarHBondContact O-N 3.22Å; T7-I51 HydrophobicContact CG2-CG2 3.39Å | ||
| 8 | K | 78.1 | Confident | 74.7 | Confident | 197 Ų | 197 | 87.8 Ų | 87.8 | 86% | 0.857 | 46% | 0.458 | S | S | * | . | trans | -69.8 | 74.5 | -177.1 | -169 | -174.3 | 177.7 | -178.4 | 0 | 112.7 | D6 P10 | D6-K8 PolarHBondContact O-N 2.9Å; K8-P10 WeakPolarHBondContact O-CD 3.4Å | ||
| 9 | I | 83.3 | Confident | 75.7 | Confident | 15 Ų | 15 | 88.9 Ų | 88.9 | 8% | 0.077 | 46% | 0.456 | C | S | . | . | trans | -55.4 | 118.2 | 174.2 | -56.3 | 166.8 | 0 | 0 | 0 | 109.9 | T7 I11 F14 L49 I51 L54 K62 | T7-I9 VanDerWaalsContact C-N 3.28Å; T7-I9 PolarHBondContact O-N 3.22Å; I9-I11 PolarHBondContact O-N 2.81Å; I9-F14 HydrophobicContact CG2-CB 3.85Å; I9-F14 HydrophobicContact CG2-CD2 4.1Å; I9-F14 HydrophobicContact CG2-CG 4.28Å; I9-L49 HydrophobicContact CG2-CD1 3.97Å; I9-L49 HydrophobicContact CG2-CD2 4.26Å; I9-I51 HydrophobicContact CB-CD1 4.17Å; I9-I51 HydrophobicContact CG1-CD1 3.94Å; I9-I51 HydrophobicContact CG2-CD1 4.14Å; I9-L54 HydrophobicContact CD1-CD1 3.64Å; I9-L54 HydrophobicContact CD1-CD2 4.44Å; I9-L54 HydrophobicContact CG1-CD1 4.1Å; I9-K62 HydrophobicContact CD1-CD 4.37Å; I9-K62 PolarHBondContact O-NZ 2.97Å | ||
| 10 | P | 88.6 | Confident | 76.7 | Confident | 43 Ų | 43 | 91.9 Ų | 91.9 | 28% | 0.279 | 46% | 0.461 | S | S | . | . | trans | -58.3 | 126.1 | 176.2 | -24.2 | 35.4 | 0 | 0 | 0 | 111 | K8 E13 F14 | K8-P10 WeakPolarHBondContact O-CD 3.4Å; P10-E13 HydrophobicContact CB-CB 4.23Å; P10-E13 HydrophobicContact CB-CG 4.09Å; P10-F14 WeakPolarHBondContact O-CB 3.44Å; P10-F14 PolarHBondContact O-N 3.49Å | ||
| 11 | I | 88.4 | Confident | 77.6 | Confident | 72 Ų | 72 | 89.6 Ų | 89.6 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.2 | -33.2 | -172.4 | -172.8 | 58.2 | 0 | 0 | 0 | 112.6 | I9 F14 L15 Q66 | I9-I11 PolarHBondContact O-N 2.81Å; I11-F14 HydrophobicContact CD1-CD1 4.23Å; I11-L15 HydrophobicContact CD1-CD1 4.13Å; I11-L15 HydrophobicContact CD1-CG 4.06Å; I11-L15 HydrophobicContact CG1-CD1 3.97Å; I11-L15 HydrophobicContact CG1-CG 4.35Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.5Å; I11-Q66 HydrophobicContact CD1-CG 4.31Å |
| 12 | T | 90.6 | Very high | 80.3 | Confident | 99 Ų | 99 | 80.4 Ų | 80.4 | 61% | 0.607 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.1 | -60.9 | 175.6 | 41.7 | 0 | 0 | 0 | 0 | 111 | F14 L15 E16 | T12-F14 VanDerWaalsContact C-N 3.28Å; T12-F14 PolarHBondContact O-N 3.37Å; T12-L15 PolarHBondContact O-N 2.91Å; T12-E16 WeakPolarHBondContact O-CB 3.39Å; T12-E16 PolarHBondContact O-N 3.3Å |
| 13 | E | 91.6 | Very high | 82.8 | Confident | 91 Ų | 91 | 76 Ų | 76 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 179.2 | -60.6 | 167.1 | -151.8 | 0 | 0 | 111.9 | P10 E16 A17 L49 | P10-E13 HydrophobicContact CB-CB 4.23Å; P10-E13 HydrophobicContact CB-CG 4.09Å; E13-E16 PolarHBondContact O-N 3.44Å; E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 2.8Å; E13-L49 HydrophobicContact CB-CD2 3.71Å |
| 14 | F | 93.3 | Very high | 85.2 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.6 | 173.2 | -92.1 | 0 | 0 | 0 | 112.3 | I9 P10 I11 T12 E16 A17 Y18 I45 L49 I59 K62 I63 Q66 | I9-F14 HydrophobicContact CG2-CB 3.85Å; I9-F14 HydrophobicContact CG2-CD2 4.1Å; I9-F14 HydrophobicContact CG2-CG 4.28Å; P10-F14 WeakPolarHBondContact O-CB 3.44Å; P10-F14 PolarHBondContact O-N 3.49Å; I11-F14 HydrophobicContact CD1-CD1 4.23Å; T12-F14 VanDerWaalsContact C-N 3.28Å; T12-F14 PolarHBondContact O-N 3.37Å; F14-E16 VanDerWaalsContact C-N 3.32Å; F14-A17 PolarHBondContact O-N 3.29Å; F14-Y18 WeakPolarHBondContact O-CB 3.18Å; F14-Y18 PolarHBondContact O-N 3.39Å; F14-I45 HydrophobicContact CD2-CG2 4.44Å; F14-L49 HydrophobicContact CB-CD2 4.45Å; F14-L49 HydrophobicContact CD2-CD1 4.32Å; F14-I59 HydrophobicContact CD2-CD1 4.44Å; F14-I59 HydrophobicContact CE2-CD1 4.16Å; F14-I59 HydrophobicContact CE2-CG2 4.34Å; F14-K62 HydrophobicContact CD1-CG 4.06Å; F14-K62 HydrophobicContact CD2-CG 3.92Å; F14-K62 HydrophobicContact CE1-CG 3.67Å; F14-K62 HydrophobicContact CE2-CB 3.87Å; F14-K62 HydrophobicContact CE2-CG 3.51Å; F14-K62 HydrophobicContact CG-CG 4.18Å; F14-K62 HydrophobicContact CZ-CB 3.81Å; F14-K62 HydrophobicContact CZ-CG 3.38Å; F14-I63 HydrophobicContact CZ-CG1 3.89Å; F14-Q66 HydrophobicContact CE1-CG 4.42Å |
| 15 | L | 92.9 | Very high | 87.3 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -35.2 | 177.8 | -71.4 | 172.2 | 0 | 0 | 0 | 111.5 | I11 T12 R19 | I11-L15 HydrophobicContact CD1-CD1 4.13Å; I11-L15 HydrophobicContact CD1-CG 4.06Å; I11-L15 HydrophobicContact CG1-CD1 3.97Å; I11-L15 HydrophobicContact CG1-CG 4.35Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 VanDerWaalsContact O-CG 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.44Å; I11-L15 PolarHBondContact O-N 3.5Å; T12-L15 PolarHBondContact O-N 2.91Å; L15-R19 WeakPolarHBondContact O-CB 3.21Å; L15-R19 VanDerWaalsContact O-CG 3.22Å; L15-R19 WeakPolarHBondContact O-CG 3.39Å; L15-R19 PolarHBondContact O-N 3.18Å |
| 16 | E | 94.2 | Very high | 89 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 175.8 | -158.3 | -163.8 | 133.8 | 0 | 0 | 111.9 | T12 E13 F14 Y18 R19 R20 | T12-E16 WeakPolarHBondContact O-CB 3.39Å; T12-E16 PolarHBondContact O-N 3.3Å; E13-E16 PolarHBondContact O-N 3.44Å; F14-E16 VanDerWaalsContact C-N 3.32Å; E16-Y18 VanDerWaalsContact C-N 3.34Å; E16-Y18 PolarHBondContact O-N 2.89Å; E16-R19 PolarHBondContact O-N 3.35Å; E16-R20 PolarHBondContact O-N 3.26Å; E16-R20 IonicContact OE1-CZ 3.14Å; E16-R20 IonicContact OE1-NH1 2.7Å; E16-R20 PolarHBondContact OE1-NH1 3.01Å; E16-R20 IonicContact OE1-NH2 2.69Å; E16-R20 PolarHBondContact OE1-NH2 2.91Å |
| 17 | A | 94.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E13 F14 R20 I45 | E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.43Å; E13-A17 PolarHBondContact O-N 2.8Å; F14-A17 PolarHBondContact O-N 3.29Å; A17-R20 PolarHBondContact O-N 3.48Å; A17-I45 HydrophobicContact CB-CB 4.46Å; A17-I45 HydrophobicContact CB-CG1 4.2Å; A17-I45 HydrophobicContact CB-CG2 4.14Å |
| 18 | Y | 95.5 | Very high | 92 | Very high | 39 Ų | 39 | 66.7 Ų | 66.7 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 176.8 | -177 | -107.1 | 0 | 0 | 0 | 112.6 | F14 E16 R20 Q21 L24 Y25 I45 I63 | F14-Y18 WeakPolarHBondContact O-CB 3.18Å; F14-Y18 PolarHBondContact O-N 3.39Å; E16-Y18 VanDerWaalsContact C-N 3.34Å; E16-Y18 PolarHBondContact O-N 2.89Å; Y18-R20 PolarHBondContact O-N 3.45Å; Y18-Q21 PolarHBondContact O-N 3.32Å; Y18-L24 HydrophobicContact CD2-CB 4.42Å; Y18-L24 HydrophobicContact CD2-CD1 4.01Å; Y18-L24 HydrophobicContact CE2-CB 3.74Å; Y18-L24 HydrophobicContact CE2-CD1 4.02Å; Y18-Y25 HydrophobicContact CD1-CD1 4.48Å; Y18-Y25 AromaticContact CE1-CD1 3.94Å; Y18-Y25 HydrophobicContact CE1-CD1 3.94Å; Y18-I45 HydrophobicContact CD2-CD1 4.07Å; Y18-I63 HydrophobicContact CD2-CD1 4.07Å; Y18-I63 HydrophobicContact CD2-CG1 4.15Å; Y18-I63 HydrophobicContact CE2-CD1 3.6Å; Y18-I63 HydrophobicContact CE2-CG1 3.77Å; Y18-I63 HydrophobicContact CE2-CG2 4.35Å |
| 19 | R | 94.7 | Very high | 92.7 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -27.6 | 174.1 | -74.6 | 170.8 | -169.5 | 129.3 | -2.8 | 113.1 | L15 E16 Q21 Y25 | L15-R19 WeakPolarHBondContact O-CB 3.21Å; L15-R19 VanDerWaalsContact O-CG 3.22Å; L15-R19 WeakPolarHBondContact O-CG 3.39Å; L15-R19 PolarHBondContact O-N 3.18Å; E16-R19 PolarHBondContact O-N 3.35Å; R19-Q21 PolarHBondContact O-N 3.05Å; R19-Y25 PolarHBondContact O-OH 2.83Å |
| 20 | R | 95.8 | Very high | 93.2 | Very high | 147 Ų | 147 | 64.9 Ų | 64.9 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -6.8 | 173.6 | -70 | -178.3 | 177.8 | 107 | 6.1 | 114.1 | E16 A17 Y18 P22 | E16-R20 PolarHBondContact O-N 3.26Å; E16-R20 IonicContact OE1-CZ 3.14Å; E16-R20 IonicContact OE1-NH1 2.7Å; E16-R20 PolarHBondContact OE1-NH1 3.01Å; E16-R20 IonicContact OE1-NH2 2.69Å; E16-R20 PolarHBondContact OE1-NH2 2.91Å; A17-R20 PolarHBondContact O-N 3.48Å; Y18-R20 PolarHBondContact O-N 3.45Å; R20-P22 VanDerWaalsContact C-CD 3.48Å; R20-P22 VanDerWaalsContact O-CD 3.29Å; R20-P22 WeakPolarHBondContact O-CD 3.29Å |
| 21 | Q | 95.9 | Very high | 93.4 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | trans | -118.3 | 71.6 | -176.7 | -60.1 | -53.2 | -47.4 | 0 | 0 | 111.4 | Y18 R19 C23 L24 A41 I45 | Y18-Q21 PolarHBondContact O-N 3.32Å; R19-Q21 PolarHBondContact O-N 3.05Å; Q21-C23 PolarHBondContact O-N 3.46Å; Q21-C23 VanDerWaalsContact O-N 3.14Å; Q21-L24 HydrophobicContact CB-CD1 3.81Å; Q21-L24 HydrophobicContact CB-CG 4Å; Q21-L24 HydrophobicContact CG-CD1 4.47Å; Q21-L24 WeakPolarHBondContact O-CB 3.47Å; Q21-L24 PolarHBondContact O-N 3.38Å; Q21-A41 HydrophobicContact CB-CB 4.08Å; Q21-A41 HydrophobicContact CG-CB 4.06Å; Q21-A41 VanDerWaalsContact OE1-CB 3.26Å; Q21-I45 HydrophobicContact CB-CD1 4.5Å; Q21-I45 HydrophobicContact CG-CD1 4.12Å; Q21-I45 HydrophobicContact CG-CG1 3.92Å | ||
| 22 | P | 93.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 65 Ų | 65 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -61.8 | -25.1 | -175.2 | 26.8 | -35.9 | 0 | 0 | 0 | 113.3 | R20 L24 Y25 N26 L29 | R20-P22 VanDerWaalsContact C-CD 3.48Å; R20-P22 VanDerWaalsContact O-CD 3.29Å; R20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-L24 PolarHBondContact O-N 3.25Å; P22-Y25 HydrophobicContact CB-CE1 4.46Å; P22-Y25 PolarHBondContact O-N 2.9Å; P22-Y25 VanDerWaalsContact O-N 3.1Å; P22-N26 HydrophobicContact CB-CB 4.39Å; P22-N26 WeakPolarHBondContact O-CB 3.35Å; P22-N26 PolarHBondContact O-N 3.49Å; P22-L29 HydrophobicContact CB-CD1 3.81Å; P22-L29 HydrophobicContact CG-CD1 4.03Å |
| 23 | C | 95 | Very high | 93.7 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -62.8 | -4.7 | 171.5 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | Q21 S31 Y32 R38 A41 | Q21-C23 PolarHBondContact O-N 3.46Å; Q21-C23 VanDerWaalsContact O-N 3.14Å; C23-S31 WeakPolarHBondContact CB-OG 3.44Å; C23-Y32 WeakPolarHBondContact O-CA 3.46Å; C23-Y32 VanDerWaalsContact O-CD2 3.31Å; C23-Y32 WeakPolarHBondContact O-CD2 3.39Å; C23-R38 WeakPolarHBondContact O-CG 3.39Å; C23-A41 WeakPolarHBondContact SG-CB 3.47Å |
| 24 | L | 94.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -96.5 | -11.8 | 173.6 | -60.3 | -177.6 | 0 | 0 | 0 | 113.9 | Y18 Q21 P22 R38 A41 Y42 I45 | Y18-L24 HydrophobicContact CD2-CB 4.42Å; Y18-L24 HydrophobicContact CD2-CD1 4.01Å; Y18-L24 HydrophobicContact CE2-CB 3.74Å; Y18-L24 HydrophobicContact CE2-CD1 4.02Å; Q21-L24 HydrophobicContact CB-CD1 3.81Å; Q21-L24 HydrophobicContact CB-CG 4Å; Q21-L24 HydrophobicContact CG-CD1 4.47Å; Q21-L24 WeakPolarHBondContact O-CB 3.47Å; Q21-L24 PolarHBondContact O-N 3.38Å; P22-L24 PolarHBondContact O-N 3.25Å; L24-R38 HydrophobicContact CD2-CB 4.09Å; L24-R38 HydrophobicContact CD2-CG 4.1Å; L24-A41 HydrophobicContact CD1-CB 4.19Å; L24-A41 HydrophobicContact CD2-CB 4Å; L24-A41 HydrophobicContact CG-CB 4.01Å; L24-Y42 HydrophobicContact CD1-CD1 3.96Å; L24-Y42 HydrophobicContact CD1-CE1 3.92Å; L24-Y42 HydrophobicContact CD2-CD1 4.06Å; L24-Y42 HydrophobicContact CD2-CE1 3.61Å; L24-Y42 HydrophobicContact CD2-CE2 4.16Å; L24-Y42 HydrophobicContact CG-CE1 4.39Å; L24-I45 HydrophobicContact CD1-CD1 3.51Å |
| 25 | Y | 93.6 | Very high | 93.9 | Very high | 76 Ų | 76 | 73.7 Ų | 73.7 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.4 | -26.3 | -177.1 | 62.9 | -94.7 | 0 | 0 | 0 | 115.8 | Y18 R19 P22 T27 | Y18-Y25 HydrophobicContact CD1-CD1 4.48Å; Y18-Y25 AromaticContact CE1-CD1 3.94Å; Y18-Y25 HydrophobicContact CE1-CD1 3.94Å; R19-Y25 PolarHBondContact O-OH 2.83Å; P22-Y25 HydrophobicContact CB-CE1 4.46Å; P22-Y25 PolarHBondContact O-N 2.9Å; P22-Y25 VanDerWaalsContact O-N 3.1Å; Y25-T27 PolarHBondContact O-N 2.9Å |
| 26 | N | 91.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 75.8 Ų | 75.8 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | trans | -83.5 | 100.9 | 177 | -174.7 | -9 | 0 | 0 | 0 | 110.2 | P22 L28 L29 Y32 | P22-N26 HydrophobicContact CB-CB 4.39Å; P22-N26 WeakPolarHBondContact O-CB 3.35Å; P22-N26 PolarHBondContact O-N 3.49Å; N26-L28 PolarHBondContact O-N 3.32Å; N26-L28 WeakPolarHBondContact OD1-CB 3.26Å; N26-L28 PolarHBondContact OD1-N 3.34Å; N26-L29 HydrophobicContact CB-CD1 4.1Å; N26-L29 HydrophobicContact CB-CG 4.19Å; N26-L29 PolarHBondContact O-N 3.38Å; N26-Y32 VanDerWaalsContact O-CB 3.22Å; N26-Y32 WeakPolarHBondContact O-CB 3.3Å | ||
| 27 | T | 92.5 | Very high | 94.2 | Very high | 82 Ų | 82 | 72.8 Ų | 72.8 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.2 | -178.8 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | Y25 L29 Y32 | Y25-T27 PolarHBondContact O-N 2.9Å; T27-L29 VanDerWaalsContact C-N 3.35Å; T27-Y32 HydrophobicContact CG2-CD1 4.31Å; T27-Y32 HydrophobicContact CG2-CE1 3.81Å; T27-Y32 HydrophobicContact CG2-CE2 4.43Å |
| 28 | L | 93.8 | Very high | 94.2 | Very high | 119 Ų | 119 | 76.3 Ų | 76.3 | 62% | 0.623 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16 | -179 | -53.9 | 179.1 | 0 | 0 | 0 | 112.9 | N26 | N26-L28 PolarHBondContact O-N 3.32Å; N26-L28 WeakPolarHBondContact OD1-CB 3.26Å; N26-L28 PolarHBondContact OD1-N 3.34Å |
| 29 | L | 91.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 78.4 Ų | 78.4 | 32% | 0.319 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -86.2 | 134.6 | 178 | -58.7 | 178.7 | 0 | 0 | 0 | 111.3 | P22 N26 T27 S31 Y32 | P22-L29 HydrophobicContact CB-CD1 3.81Å; P22-L29 HydrophobicContact CG-CD1 4.03Å; N26-L29 HydrophobicContact CB-CD1 4.1Å; N26-L29 HydrophobicContact CB-CG 4.19Å; N26-L29 PolarHBondContact O-N 3.38Å; T27-L29 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 2.96Å; L29-Y32 VanDerWaalsContact O-CB 3.29Å; L29-Y32 WeakPolarHBondContact O-CB 3.38Å; L29-Y32 PolarHBondContact O-N 2.89Å |
| 30 | D | 93.1 | Very high | 94.2 | Very high | 114 Ų | 114 | 79 Ų | 79 | 61% | 0.61 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.7 | -24 | 174.9 | -63.3 | -53 | 0 | 0 | 0 | 113 | Y32 K33 N34 | D30-Y32 PolarHBondContact O-N 3.35Å; D30-K33 PolarHBondContact O-N 2.91Å; D30-K33 IonicContact OD1-NZ 2.87Å; D30-K33 PolarHBondContact OD1-NZ 2.91Å; D30-N34 PolarHBondContact O-N 2.98Å |
| 31 | S | 93.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 72 Ų | 72 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -19.5 | 170.2 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | C23 L29 | C23-S31 WeakPolarHBondContact CB-OG 3.44Å; L29-S31 PolarHBondContact O-N 2.96Å |
| 32 | Y | 93 | Very high | 94.3 | Very high | 76 Ų | 76 | 71.5 Ų | 71.5 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.1 | -31.4 | 170 | 174.8 | -87.6 | 0 | 0 | 0 | 112.6 | C23 N26 T27 L29 D30 R38 | C23-Y32 WeakPolarHBondContact O-CA 3.46Å; C23-Y32 VanDerWaalsContact O-CD2 3.31Å; C23-Y32 WeakPolarHBondContact O-CD2 3.39Å; N26-Y32 VanDerWaalsContact O-CB 3.22Å; N26-Y32 WeakPolarHBondContact O-CB 3.3Å; T27-Y32 HydrophobicContact CG2-CD1 4.31Å; T27-Y32 HydrophobicContact CG2-CE1 3.81Å; T27-Y32 HydrophobicContact CG2-CE2 4.43Å; L29-Y32 VanDerWaalsContact O-CB 3.29Å; L29-Y32 WeakPolarHBondContact O-CB 3.38Å; L29-Y32 PolarHBondContact O-N 2.89Å; D30-Y32 PolarHBondContact O-N 3.35Å; Y32-R38 WeakPolarHBondContact O-CD 3.23Å; Y32-R38 PolarHBondContact O-NE 3.43Å; Y32-R38 PolarHBondContact O-NH1 3.39Å |
| 33 | K | 92.1 | Very high | 94.3 | Very high | 135 Ų | 135 | 70.1 Ų | 70.1 | 59% | 0.587 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -76.1 | -39.7 | 173.1 | -58.6 | 170.5 | -162.9 | 150.5 | 0 | 110.1 | D30 R35 R38 | D30-K33 PolarHBondContact O-N 2.91Å; D30-K33 IonicContact OD1-NZ 2.87Å; D30-K33 PolarHBondContact OD1-NZ 2.91Å; K33-R35 PolarHBondContact O-N 3.01Å; K33-R38 PolarHBondContact O-NH2 3.29Å |
| 34 | N | 95.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | trans | -56.8 | 127.5 | 178 | -167.2 | -23.7 | 0 | 0 | 0 | 111.5 | D30 V36 S37 R38 | D30-N34 PolarHBondContact O-N 2.98Å; N34-V36 WeakPolarHBondContact OD1-CB 3.28Å; N34-V36 PolarHBondContact OD1-N 2.98Å; N34-S37 PolarHBondContact ND2-OG 3.06Å; N34-R38 WeakPolarHBondContact O-CG 3.42Å; N34-R38 PolarHBondContact O-NE 3.42Å; N34-R38 VanDerWaalsContact O-NE 3.13Å | ||
| 35 | R | 94.7 | Very high | 94.3 | Very high | 168 Ų | 168 | 70 Ų | 70 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.2 | -42.9 | 175.9 | -179.8 | 177.9 | 170 | -155.6 | -17.5 | 111.7 | K33 R38 E39 | K33-R35 PolarHBondContact O-N 3.01Å; R35-R38 PolarHBondContact O-N 2.98Å; R35-E39 IonicContact CZ-OE1 3.26Å; R35-E39 VanDerWaalsContact CZ-OE1 3.26Å; R35-E39 IonicContact NE-OE1 2.75Å; R35-E39 PolarHBondContact NE-OE1 3.29Å; R35-E39 IonicContact NE-OE2 3.9Å; R35-E39 IonicContact NH2-OE1 2.87Å; R35-E39 PolarHBondContact NH2-OE1 3.47Å; R35-E39 IonicContact NH2-OE2 3.5Å; R35-E39 PolarHBondContact O-N 3.09Å; R35-E39 VanDerWaalsContact O-N 3.08Å |
| 36 | V | 96 | Very high | 94.3 | Very high | 85 Ų | 85 | 68 Ų | 68 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -52.3 | -174.4 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | N34 R38 E39 E40 | N34-V36 WeakPolarHBondContact OD1-CB 3.28Å; N34-V36 PolarHBondContact OD1-N 2.98Å; V36-R38 PolarHBondContact O-N 3.16Å; V36-R38 VanDerWaalsContact O-N 3.15Å; V36-E39 WeakPolarHBondContact O-CA 3.38Å; V36-E39 PolarHBondContact O-N 2.71Å; V36-E40 HydrophobicContact CG1-CG 4.31Å; V36-E40 WeakPolarHBondContact O-CG 3.36Å; V36-E40 PolarHBondContact O-N 3.22Å |
| 37 | S | 95.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 73.9 Ų | 73.9 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.4 | -33.6 | 179.4 | -50.5 | 0 | 0 | 0 | 0 | 113.3 | N34 A41 | N34-S37 PolarHBondContact ND2-OG 3.06Å; S37-A41 VanDerWaalsContact O-CB 3.22Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 3.04Å |
| 38 | R | 94.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 72.9 Ų | 72.9 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.6 | -39.4 | 173.8 | -69.8 | -173.8 | -68.3 | -179.4 | 0.1 | 112.9 | C23 L24 Y32 K33 N34 R35 V36 A41 Y42 | C23-R38 WeakPolarHBondContact O-CG 3.39Å; L24-R38 HydrophobicContact CD2-CB 4.09Å; L24-R38 HydrophobicContact CD2-CG 4.1Å; Y32-R38 WeakPolarHBondContact O-CD 3.23Å; Y32-R38 PolarHBondContact O-NE 3.43Å; Y32-R38 PolarHBondContact O-NH1 3.39Å; K33-R38 PolarHBondContact O-NH2 3.29Å; N34-R38 WeakPolarHBondContact O-CG 3.42Å; N34-R38 PolarHBondContact O-NE 3.42Å; N34-R38 VanDerWaalsContact O-NE 3.13Å; R35-R38 PolarHBondContact O-N 2.98Å; V36-R38 PolarHBondContact O-N 3.16Å; V36-R38 VanDerWaalsContact O-N 3.15Å; R38-A41 PolarHBondContact O-N 3.4Å; R38-Y42 HydrophobicContact CB-CE2 4.29Å; R38-Y42 WeakPolarHBondContact O-CD2 3.28Å; R38-Y42 WeakPolarHBondContact O-CE2 3.41Å; R38-Y42 PolarHBondContact O-N 2.73Å |
| 39 | E | 95.3 | Very high | 94.3 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 175.1 | -72.7 | 180 | -173.8 | 0 | 0 | 111.5 | R35 V36 Y42 G43 | R35-E39 IonicContact CZ-OE1 3.26Å; R35-E39 VanDerWaalsContact CZ-OE1 3.26Å; R35-E39 IonicContact NE-OE1 2.75Å; R35-E39 PolarHBondContact NE-OE1 3.29Å; R35-E39 IonicContact NE-OE2 3.9Å; R35-E39 IonicContact NH2-OE1 2.87Å; R35-E39 PolarHBondContact NH2-OE1 3.47Å; R35-E39 IonicContact NH2-OE2 3.5Å; R35-E39 PolarHBondContact O-N 3.09Å; R35-E39 VanDerWaalsContact O-N 3.08Å; V36-E39 WeakPolarHBondContact O-CA 3.38Å; V36-E39 PolarHBondContact O-N 2.71Å; E39-Y42 PolarHBondContact O-N 2.86Å; E39-G43 PolarHBondContact O-N 2.72Å |
| 40 | E | 96 | Very high | 94.2 | Very high | 121 Ų | 121 | 73.5 Ų | 73.5 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.4 | -42.8 | 170.7 | -68.8 | 176.3 | 145.8 | 0 | 0 | 112.5 | V36 G43 A44 | V36-E40 HydrophobicContact CG1-CG 4.31Å; V36-E40 WeakPolarHBondContact O-CG 3.36Å; V36-E40 PolarHBondContact O-N 3.22Å; E40-G43 CarbonylContact O-C 3.42Å; E40-G43 WeakPolarHBondContact O-CA 3.46Å; E40-G43 PolarHBondContact O-N 2.99Å; E40-A44 PolarHBondContact O-N 3.27Å |
| 41 | A | 96.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q21 C23 L24 S37 R38 G43 A44 I45 | Q21-A41 HydrophobicContact CB-CB 4.08Å; Q21-A41 HydrophobicContact CG-CB 4.06Å; Q21-A41 VanDerWaalsContact OE1-CB 3.26Å; C23-A41 WeakPolarHBondContact SG-CB 3.47Å; L24-A41 HydrophobicContact CD1-CB 4.19Å; L24-A41 HydrophobicContact CD2-CB 4Å; L24-A41 HydrophobicContact CG-CB 4.01Å; S37-A41 VanDerWaalsContact O-CB 3.22Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 3.04Å; R38-A41 PolarHBondContact O-N 3.4Å; A41-G43 VanDerWaalsContact C-N 3.29Å; A41-G43 PolarHBondContact O-N 2.99Å; A41-A44 WeakPolarHBondContact O-CB 3.39Å; A41-A44 PolarHBondContact O-N 3.38Å; A41-A44 VanDerWaalsContact O-N 3.15Å; A41-I45 PolarHBondContact O-N 2.89Å |
| 42 | Y | 95.9 | Very high | 93 | Very high | 33 Ų | 33 | 72.6 Ų | 72.6 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 169.6 | -63.4 | -53.2 | 0 | 0 | 0 | 110.8 | L24 R38 E39 A44 I45 I46 V56 I59 K60 I63 | L24-Y42 HydrophobicContact CD1-CD1 3.96Å; L24-Y42 HydrophobicContact CD1-CE1 3.92Å; L24-Y42 HydrophobicContact CD2-CD1 4.06Å; L24-Y42 HydrophobicContact CD2-CE1 3.61Å; L24-Y42 HydrophobicContact CD2-CE2 4.16Å; L24-Y42 HydrophobicContact CG-CE1 4.39Å; R38-Y42 HydrophobicContact CB-CE2 4.29Å; R38-Y42 WeakPolarHBondContact O-CD2 3.28Å; R38-Y42 WeakPolarHBondContact O-CE2 3.41Å; R38-Y42 PolarHBondContact O-N 2.73Å; E39-Y42 PolarHBondContact O-N 2.86Å; Y42-A44 VanDerWaalsContact C-N 3.3Å; Y42-A44 PolarHBondContact O-N 3.26Å; Y42-I45 PolarHBondContact O-N 3.31Å; Y42-I46 WeakPolarHBondContact O-CG1 3.33Å; Y42-I46 PolarHBondContact O-N 3.43Å; Y42-I46 VanDerWaalsContact O-N 3.09Å; Y42-V56 HydrophobicContact CD2-CG1 3.69Å; Y42-V56 HydrophobicContact CE2-CG1 4.49Å; Y42-V56 HydrophobicContact CG-CG1 3.88Å; Y42-I59 HydrophobicContact CD1-CB 4.4Å; Y42-I59 HydrophobicContact CD1-CG2 3.63Å; Y42-I59 HydrophobicContact CE1-CG2 4.22Å; Y42-K60 HydrophobicContact CE1-CG 4.08Å; Y42-K60 HydrophobicContact CE2-CD 4.46Å; Y42-K60 HydrophobicContact CE2-CG 4.33Å; Y42-I63 HydrophobicContact CD1-CD1 4.43Å; Y42-I63 HydrophobicContact CE1-CD1 3.73Å |
| 43 | G | 94.6 | Very high | 92.5 | Very high | 22 Ų | 22 | 75.4 Ų | 75.4 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.9 | -29.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | E39 E40 A41 R47 | E39-G43 PolarHBondContact O-N 2.72Å; E40-G43 CarbonylContact O-C 3.42Å; E40-G43 WeakPolarHBondContact O-CA 3.46Å; E40-G43 PolarHBondContact O-N 2.99Å; A41-G43 VanDerWaalsContact C-N 3.29Å; A41-G43 PolarHBondContact O-N 2.99Å; G43-R47 WeakPolarHBondContact O-CB 3.38Å; G43-R47 VanDerWaalsContact O-CG 3.29Å; G43-R47 WeakPolarHBondContact O-CG 3.4Å; G43-R47 PolarHBondContact O-N 2.96Å; G43-R47 VanDerWaalsContact O-N 3.13Å; G43-R47 PolarHBondContact O-NE 3.22Å |
| 44 | A | 95.4 | Very high | 92.2 | Very high | 21 Ų | 21 | 69.6 Ų | 69.6 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.5 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E40 A41 Y42 R47 S48 | E40-A44 PolarHBondContact O-N 3.27Å; A41-A44 WeakPolarHBondContact O-CB 3.39Å; A41-A44 PolarHBondContact O-N 3.38Å; A41-A44 VanDerWaalsContact O-N 3.15Å; Y42-A44 VanDerWaalsContact C-N 3.3Å; Y42-A44 PolarHBondContact O-N 3.26Å; A44-R47 PolarHBondContact O-N 3Å; A44-S48 WeakPolarHBondContact O-CB 3.28Å; A44-S48 PolarHBondContact O-N 3.39Å |
| 45 | I | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.3 | -66 | 168.9 | 0 | 0 | 0 | 110.7 | F14 A17 Y18 Q21 L24 A41 Y42 R47 S48 L49 I59 | F14-I45 HydrophobicContact CD2-CG2 4.44Å; A17-I45 HydrophobicContact CB-CB 4.46Å; A17-I45 HydrophobicContact CB-CG1 4.2Å; A17-I45 HydrophobicContact CB-CG2 4.14Å; Y18-I45 HydrophobicContact CD2-CD1 4.07Å; Q21-I45 HydrophobicContact CB-CD1 4.5Å; Q21-I45 HydrophobicContact CG-CD1 4.12Å; Q21-I45 HydrophobicContact CG-CG1 3.92Å; L24-I45 HydrophobicContact CD1-CD1 3.51Å; A41-I45 PolarHBondContact O-N 2.89Å; Y42-I45 PolarHBondContact O-N 3.31Å; I45-R47 PolarHBondContact O-N 3.2Å; I45-S48 PolarHBondContact O-N 2.94Å; I45-L49 HydrophobicContact CG2-CD1 3.73Å; I45-L49 HydrophobicContact CG2-CG 4.39Å; I45-L49 WeakPolarHBondContact O-CG 3Å; I45-L49 PolarHBondContact O-N 3.38Å; I45-I59 HydrophobicContact CD1-CG2 4.41Å; I45-I59 HydrophobicContact CG2-CD1 3.73Å; I45-I59 HydrophobicContact CG2-CG1 4.49Å |
| 46 | I | 93.6 | Very high | 91.9 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 177.4 | -66.3 | 162.5 | 0 | 0 | 0 | 110.9 | Y42 S48 L49 K50 L54 V56 I59 | Y42-I46 WeakPolarHBondContact O-CG1 3.33Å; Y42-I46 PolarHBondContact O-N 3.43Å; Y42-I46 VanDerWaalsContact O-N 3.09Å; I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.41Å; I46-L49 PolarHBondContact O-N 2.92Å; I46-K50 PolarHBondContact O-N 2.87Å; I46-K50 VanDerWaalsContact O-N 3.15Å; I46-L54 HydrophobicContact CG1-CD2 4.36Å; I46-L54 HydrophobicContact CG1-CG 4.28Å; I46-L54 HydrophobicContact CG2-CB 4.46Å; I46-L54 WeakPolarHBondContact CG2-O 3.16Å; I46-V56 HydrophobicContact CD1-CG2 3.84Å; I46-I59 HydrophobicContact CD1-CG1 4.22Å; I46-I59 HydrophobicContact CG1-CD1 4.23Å; I46-I59 HydrophobicContact CG1-CG1 3.79Å |
| 47 | R | 93.3 | Very high | 91.6 | Very high | 178 Ų | 178 | 62.6 Ų | 62.6 | 67% | 0.672 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 175.5 | -75.1 | 177.5 | -68.3 | 143.1 | -8.1 | 113 | G43 A44 I45 K50 | G43-R47 WeakPolarHBondContact O-CB 3.38Å; G43-R47 VanDerWaalsContact O-CG 3.29Å; G43-R47 WeakPolarHBondContact O-CG 3.4Å; G43-R47 PolarHBondContact O-N 2.96Å; G43-R47 VanDerWaalsContact O-N 3.13Å; G43-R47 PolarHBondContact O-NE 3.22Å; A44-R47 PolarHBondContact O-N 3Å; I45-R47 PolarHBondContact O-N 3.2Å; R47-K50 WeakPolarHBondContact O-CG 3.37Å; R47-K50 PolarHBondContact O-N 3.36Å |
| 48 | S | 92.8 | Very high | 91.4 | Very high | 62 Ų | 62 | 63.2 Ų | 63.2 | 43% | 0.434 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 178.7 | -168.3 | 0 | 0 | 0 | 0 | 112.3 | A44 I45 I46 | A44-S48 WeakPolarHBondContact O-CB 3.28Å; A44-S48 PolarHBondContact O-N 3.39Å; I45-S48 PolarHBondContact O-N 2.94Å; I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.41Å |
| 49 | L | 90.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.7 | -22.7 | 179.9 | -69.7 | 167.6 | 0 | 0 | 0 | 113.1 | I9 E13 F14 I45 I46 I51 L54 I59 | I9-L49 HydrophobicContact CG2-CD1 3.97Å; I9-L49 HydrophobicContact CG2-CD2 4.26Å; E13-L49 HydrophobicContact CB-CD2 3.71Å; F14-L49 HydrophobicContact CB-CD2 4.45Å; F14-L49 HydrophobicContact CD2-CD1 4.32Å; I45-L49 HydrophobicContact CG2-CD1 3.73Å; I45-L49 HydrophobicContact CG2-CG 4.39Å; I45-L49 WeakPolarHBondContact O-CG 3Å; I45-L49 PolarHBondContact O-N 3.38Å; I46-L49 PolarHBondContact O-N 2.92Å; L49-I51 HydrophobicContact CB-CD1 4.07Å; L49-I51 HydrophobicContact CB-CG1 4.08Å; L49-I51 PolarHBondContact O-N 3.27Å; L49-L54 HydrophobicContact CB-CD2 4.4Å; L49-L54 HydrophobicContact CD1-CD2 3.71Å; L49-I59 HydrophobicContact CD1-CD1 4.15Å |
| 50 | K | 89.9 | Confident | 91 | Very high | 182 Ų | 182 | 60 Ų | 60 | 79% | 0.791 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 16.9 | -179 | -54.8 | 175.9 | -176 | 173.2 | 0 | 114.7 | I46 R47 | I46-K50 PolarHBondContact O-N 2.87Å; I46-K50 VanDerWaalsContact O-N 3.15Å; R47-K50 WeakPolarHBondContact O-CG 3.37Å; R47-K50 PolarHBondContact O-N 3.36Å |
| 51 | I | 84.6 | Confident | 90.7 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | trans | -76.5 | 121.9 | -179 | -65.7 | 173 | 0 | 0 | 0 | 109.3 | T7 I9 L49 L54 | T7-I51 HydrophobicContact CG2-CG2 3.39Å; I9-I51 HydrophobicContact CB-CD1 4.17Å; I9-I51 HydrophobicContact CG1-CD1 3.94Å; I9-I51 HydrophobicContact CG2-CD1 4.14Å; L49-I51 HydrophobicContact CB-CD1 4.07Å; L49-I51 HydrophobicContact CB-CG1 4.08Å; L49-I51 PolarHBondContact O-N 3.27Å; I51-L54 HydrophobicContact CB-CB 4.04Å; I51-L54 HydrophobicContact CB-CD2 4.04Å; I51-L54 HydrophobicContact CD1-CD2 4.21Å; I51-L54 HydrophobicContact CG2-CB 3.88Å; I51-L54 HydrophobicContact CG2-CD2 4.42Å | ||
| 52 | P | 77.9 | Confident | 90.3 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 146.4 | 177.6 | 28.4 | -34.7 | 0 | 0 | 0 | 111.2 | L54 | P52-L54 PolarHBondContact O-N 3.4Å; P52-L54 VanDerWaalsContact O-N 3.1Å |
| 53 | Q | 81.7 | Confident | 90.1 | Very high | 135 Ų | 135 | 62 Ų | 62 | 63% | 0.631 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 2 | -178.7 | -56.4 | -178.5 | 82.2 | 0 | 0 | 116.6 | L4 T55 | L4-Q53 HydrophobicContact CD1-CB 4.12Å; L4-Q53 WeakPolarHBondContact CD1-O 3.35Å; L4-Q53 HydrophobicContact CD2-CB 3.78Å; Q53-T55 WeakPolarHBondContact O-CG2 3.17Å; Q53-T55 PolarHBondContact O-N 2.99Å |
| 54 | L | 86.7 | Confident | 89.8 | Confident | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | trans | -67.1 | 122.9 | 177.9 | -176.5 | 64.4 | 0 | 0 | 0 | 111.6 | I9 I46 L49 I51 P52 D58 I59 | I9-L54 HydrophobicContact CD1-CD1 3.64Å; I9-L54 HydrophobicContact CD1-CD2 4.44Å; I9-L54 HydrophobicContact CG1-CD1 4.1Å; I46-L54 HydrophobicContact CG1-CD2 4.36Å; I46-L54 HydrophobicContact CG1-CG 4.28Å; I46-L54 HydrophobicContact CG2-CB 4.46Å; I46-L54 WeakPolarHBondContact CG2-O 3.16Å; L49-L54 HydrophobicContact CB-CD2 4.4Å; L49-L54 HydrophobicContact CD1-CD2 3.71Å; I51-L54 HydrophobicContact CB-CB 4.04Å; I51-L54 HydrophobicContact CB-CD2 4.04Å; I51-L54 HydrophobicContact CD1-CD2 4.21Å; I51-L54 HydrophobicContact CG2-CB 3.88Å; I51-L54 HydrophobicContact CG2-CD2 4.42Å; P52-L54 PolarHBondContact O-N 3.4Å; P52-L54 VanDerWaalsContact O-N 3.1Å; L54-D58 HydrophobicContact CD1-CB 3.62Å; L54-I59 HydrophobicContact CD1-CD1 4.46Å; L54-I59 HydrophobicContact CD2-CD1 3.81Å; L54-I59 HydrophobicContact CG-CD1 4.2Å | ||
| 55 | T | 91.6 | Very high | 89.1 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | trans | -103.2 | 163.6 | -175.6 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | Q53 S57 D58 I59 | Q53-T55 WeakPolarHBondContact O-CG2 3.17Å; Q53-T55 PolarHBondContact O-N 2.99Å; T55-S57 PolarHBondContact O-N 2.74Å; T55-S57 WeakPolarHBondContact OG1-CB 3.41Å; T55-S57 PolarHBondContact OG1-N 3.39Å; T55-D58 WeakPolarHBondContact CA-OD2 3.38Å; T55-D58 VanDerWaalsContact CB-OD2 3.27Å; T55-D58 WeakPolarHBondContact CB-OD2 3.41Å; T55-D58 PolarHBondContact N-OD2 3.28Å; T55-D58 PolarHBondContact O-N 2.99Å; T55-D58 VanDerWaalsContact O-N 3.11Å; T55-D58 VanDerWaalsContact OG1-CG 3.3Å; T55-D58 PolarHBondContact OG1-N 3.48Å; T55-D58 PolarHBondContact OG1-OD2 2.9Å; T55-I59 PolarHBondContact O-N 3.48Å | ||
| 56 | V | 91.8 | Very high | 88 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59 | -29.4 | 172 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | Y42 I46 K60 | Y42-V56 HydrophobicContact CD2-CG1 3.69Å; Y42-V56 HydrophobicContact CE2-CG1 4.49Å; Y42-V56 HydrophobicContact CG-CG1 3.88Å; I46-V56 HydrophobicContact CD1-CG2 3.84Å; V56-K60 HydrophobicContact CG1-CD 4.06Å; V56-K60 VanDerWaalsContact O-CG 3.28Å; V56-K60 WeakPolarHBondContact O-CG 3.42Å; V56-K60 PolarHBondContact O-N 3.18Å |
| 57 | S | 90.6 | Very high | 86.6 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | T55 K60 L61 | T55-S57 PolarHBondContact O-N 2.74Å; T55-S57 WeakPolarHBondContact OG1-CB 3.41Å; T55-S57 PolarHBondContact OG1-N 3.39Å; S57-K60 PolarHBondContact O-N 3.35Å; S57-L61 WeakPolarHBondContact O-CB 3.33Å; S57-L61 WeakPolarHBondContact O-CG 3.24Å; S57-L61 PolarHBondContact O-N 2.98Å |
| 58 | D | 89.9 | Confident | 85.1 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 179.4 | -52.2 | -54.6 | 0 | 0 | 0 | 111.2 | L54 T55 L61 K62 | L54-D58 HydrophobicContact CD1-CB 3.62Å; T55-D58 WeakPolarHBondContact CA-OD2 3.38Å; T55-D58 VanDerWaalsContact CB-OD2 3.27Å; T55-D58 WeakPolarHBondContact CB-OD2 3.41Å; T55-D58 PolarHBondContact N-OD2 3.28Å; T55-D58 PolarHBondContact O-N 2.99Å; T55-D58 VanDerWaalsContact O-N 3.11Å; T55-D58 VanDerWaalsContact OG1-CG 3.3Å; T55-D58 PolarHBondContact OG1-N 3.48Å; T55-D58 PolarHBondContact OG1-OD2 2.9Å; D58-L61 PolarHBondContact O-N 3.47Å; D58-K62 WeakPolarHBondContact O-CB 3.41Å; D58-K62 PolarHBondContact O-N 2.59Å |
| 59 | I | 91.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 171.8 | -60.2 | -58.9 | 0 | 0 | 0 | 110.8 | F14 Y42 I45 I46 L49 L54 T55 L61 K62 I63 | F14-I59 HydrophobicContact CD2-CD1 4.44Å; F14-I59 HydrophobicContact CE2-CD1 4.16Å; F14-I59 HydrophobicContact CE2-CG2 4.34Å; Y42-I59 HydrophobicContact CD1-CB 4.4Å; Y42-I59 HydrophobicContact CD1-CG2 3.63Å; Y42-I59 HydrophobicContact CE1-CG2 4.22Å; I45-I59 HydrophobicContact CD1-CG2 4.41Å; I45-I59 HydrophobicContact CG2-CD1 3.73Å; I45-I59 HydrophobicContact CG2-CG1 4.49Å; I46-I59 HydrophobicContact CD1-CG1 4.22Å; I46-I59 HydrophobicContact CG1-CD1 4.23Å; I46-I59 HydrophobicContact CG1-CG1 3.79Å; L49-I59 HydrophobicContact CD1-CD1 4.15Å; L54-I59 HydrophobicContact CD1-CD1 4.46Å; L54-I59 HydrophobicContact CD2-CD1 3.81Å; L54-I59 HydrophobicContact CG-CD1 4.2Å; T55-I59 PolarHBondContact O-N 3.48Å; I59-L61 VanDerWaalsContact C-N 3.33Å; I59-L61 PolarHBondContact O-N 3.39Å; I59-K62 PolarHBondContact O-N 2.89Å; I59-I63 HydrophobicContact CG2-CD1 3.91Å; I59-I63 HydrophobicContact CG2-CG1 4.47Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.28Å; I59-I63 PolarHBondContact O-N 3.27Å |
| 60 | K | 91.4 | Very high | 81.4 | Confident | 91 Ų | 91 | 75.6 Ų | 75.6 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 177.5 | -73.8 | 168.2 | 179.6 | 173.3 | 0 | 112.1 | Y42 V56 S57 K64 | Y42-K60 HydrophobicContact CE1-CG 4.08Å; Y42-K60 HydrophobicContact CE2-CD 4.46Å; Y42-K60 HydrophobicContact CE2-CG 4.33Å; V56-K60 HydrophobicContact CG1-CD 4.06Å; V56-K60 VanDerWaalsContact O-CG 3.28Å; V56-K60 WeakPolarHBondContact O-CG 3.42Å; V56-K60 PolarHBondContact O-N 3.18Å; S57-K60 PolarHBondContact O-N 3.35Å; K60-K64 WeakPolarHBondContact O-CB 3.45Å; K60-K64 PolarHBondContact O-N 3.38Å |
| 61 | L | 90 | Very high | 79.2 | Confident | 111 Ų | 111 | 71.7 Ų | 71.7 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 174.5 | -72.7 | 170.8 | 0 | 0 | 0 | 112 | S57 D58 I59 K64 S65 | S57-L61 WeakPolarHBondContact O-CB 3.33Å; S57-L61 WeakPolarHBondContact O-CG 3.24Å; S57-L61 PolarHBondContact O-N 2.98Å; D58-L61 PolarHBondContact O-N 3.47Å; I59-L61 VanDerWaalsContact C-N 3.33Å; I59-L61 PolarHBondContact O-N 3.39Å; L61-K64 PolarHBondContact O-N 2.98Å; L61-S65 WeakPolarHBondContact O-CB 3.21Å; L61-S65 PolarHBondContact O-N 2.93Å |
| 62 | K | 88.5 | Confident | 77 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 21% | 0.213 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62 | -46 | 176.2 | -170.6 | 76.4 | 164.9 | -162.9 | 0 | 111.2 | I9 F14 D58 I59 S65 Q66 | I9-K62 HydrophobicContact CD1-CD 4.37Å; I9-K62 PolarHBondContact O-NZ 2.97Å; F14-K62 HydrophobicContact CD1-CG 4.06Å; F14-K62 HydrophobicContact CD2-CG 3.92Å; F14-K62 HydrophobicContact CE1-CG 3.67Å; F14-K62 HydrophobicContact CE2-CB 3.87Å; F14-K62 HydrophobicContact CE2-CG 3.51Å; F14-K62 HydrophobicContact CG-CG 4.18Å; F14-K62 HydrophobicContact CZ-CB 3.81Å; F14-K62 HydrophobicContact CZ-CG 3.38Å; D58-K62 WeakPolarHBondContact O-CB 3.41Å; D58-K62 PolarHBondContact O-N 2.59Å; I59-K62 PolarHBondContact O-N 2.89Å; K62-S65 PolarHBondContact O-N 2.86Å; K62-Q66 WeakPolarHBondContact O-CB 3.38Å; K62-Q66 VanDerWaalsContact O-CG 3.29Å; K62-Q66 WeakPolarHBondContact O-CG 3.35Å; K62-Q66 PolarHBondContact O-N 3.19Å |
| 63 | I | 91 | Very high | 75.2 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 19% | 0.19 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.4 | -50 | 174.1 | -63.3 | 163.7 | 0 | 0 | 0 | 110.3 | F14 Y18 Y42 I59 S65 Q66 G67 | F14-I63 HydrophobicContact CZ-CG1 3.89Å; Y18-I63 HydrophobicContact CD2-CD1 4.07Å; Y18-I63 HydrophobicContact CD2-CG1 4.15Å; Y18-I63 HydrophobicContact CE2-CD1 3.6Å; Y18-I63 HydrophobicContact CE2-CG1 3.77Å; Y18-I63 HydrophobicContact CE2-CG2 4.35Å; Y42-I63 HydrophobicContact CD1-CD1 4.43Å; Y42-I63 HydrophobicContact CE1-CD1 3.73Å; I59-I63 HydrophobicContact CG2-CD1 3.91Å; I59-I63 HydrophobicContact CG2-CG1 4.47Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.28Å; I59-I63 PolarHBondContact O-N 3.27Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 2.66Å; I63-Q66 PolarHBondContact O-N 3.46Å; I63-G67 PolarHBondContact O-N 2.77Å |
| 64 | K | 87.6 | Confident | 73.4 | Confident | 148 Ų | 148 | 72.6 Ų | 72.6 | 64% | 0.643 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63 | -34.3 | -179.3 | -170.6 | 173.3 | -176.5 | 175.6 | 0 | 113.1 | K60 L61 | K60-K64 WeakPolarHBondContact O-CB 3.45Å; K60-K64 PolarHBondContact O-N 3.38Å; L61-K64 PolarHBondContact O-N 2.98Å |
| 65 | S | 82.1 | Confident | 71.5 | Confident | 51 Ų | 51 | 80.6 Ų | 80.6 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.7 | -45.4 | 173 | 170 | 0 | 0 | 0 | 0 | 111.8 | L61 K62 I63 G67 K68 N69 | L61-S65 WeakPolarHBondContact O-CB 3.21Å; L61-S65 PolarHBondContact O-N 2.93Å; K62-S65 PolarHBondContact O-N 2.86Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 2.66Å; S65-G67 PolarHBondContact O-N 3.32Å; S65-K68 PolarHBondContact O-N 2.88Å; S65-N69 PolarHBondContact O-N 2.92Å; S65-N69 PolarHBondContact O-OD1 3.18Å |
| 66 | Q | 70.3 | Confident | 69.2 | Low | 39 Ų | 39 | 82.5 Ų | 82.5 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | 178.3 | -71.6 | -62.4 | -49 | 0 | 0 | 112.4 | I11 F14 K62 I63 K68 N69 N70 | I11-Q66 HydrophobicContact CD1-CG 4.31Å; F14-Q66 HydrophobicContact CE1-CG 4.42Å; K62-Q66 WeakPolarHBondContact O-CB 3.38Å; K62-Q66 VanDerWaalsContact O-CG 3.29Å; K62-Q66 WeakPolarHBondContact O-CG 3.35Å; K62-Q66 PolarHBondContact O-N 3.19Å; I63-Q66 PolarHBondContact O-N 3.46Å; Q66-K68 VanDerWaalsContact C-N 3.33Å; Q66-K68 PolarHBondContact O-N 2.89Å; Q66-N69 PolarHBondContact O-N 2.69Å; Q66-N70 WeakPolarHBondContact O-CB 3.22Å; Q66-N70 PolarHBondContact O-N 2.7Å; Q66-N70 PolarHBondContact O-ND2 2.86Å; Q66-N70 PolarHBondContact OE1-ND2 3.06Å |
| 67 | G | 64.1 | Low | 66.5 | Low | 45 Ų | 45 | 83.8 Ų | 83.8 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I63 S65 S71 | I63-G67 PolarHBondContact O-N 2.77Å; S65-G67 PolarHBondContact O-N 3.32Å; G67-S71 PolarHBondContact O-N 3.45Å; G67-S71 PolarHBondContact O-OG 2.85Å |
| 68 | K | 62 | Low | 64 | Low | 151 Ų | 151 | 87 Ų | 87 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.6 | -50.1 | 175.6 | -71.2 | -173.5 | 171.7 | -161.8 | 0 | 112.2 | S65 Q66 N70 S71 | S65-K68 PolarHBondContact O-N 2.88Å; Q66-K68 VanDerWaalsContact C-N 3.33Å; Q66-K68 PolarHBondContact O-N 2.89Å; K68-N70 VanDerWaalsContact C-N 3.3Å; K68-N70 PolarHBondContact O-N 3.33Å; K68-S71 WeakPolarHBondContact O-CB 3.18Å; K68-S71 PolarHBondContact O-N 3.41Å |
| 69 | N | 55.7 | Low | 61.6 | Low | 105 Ų | 105 | 91.4 Ų | 91.4 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.6 | -29.3 | -173.2 | -67.2 | 16.2 | 0 | 0 | 0 | 112.8 | S65 Q66 | S65-N69 PolarHBondContact O-N 2.92Å; S65-N69 PolarHBondContact O-OD1 3.18Å; Q66-N69 PolarHBondContact O-N 2.69Å |
| 70 | N | 50.3 | Low | 59.3 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 40% | 0.401 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.1 | 1.9 | 178.1 | -59.7 | -62.4 | 0 | 0 | 0 | 113.4 | Q66 K68 S72 S73 | Q66-N70 WeakPolarHBondContact O-CB 3.22Å; Q66-N70 PolarHBondContact O-N 2.7Å; Q66-N70 PolarHBondContact O-ND2 2.86Å; Q66-N70 PolarHBondContact OE1-ND2 3.06Å; K68-N70 VanDerWaalsContact C-N 3.3Å; K68-N70 PolarHBondContact O-N 3.33Å; N70-S72 PolarHBondContact O-N 3Å; N70-S73 CarbonylContact O-C 3.21Å; N70-S73 PolarHBondContact O-N 3.22Å |
| 71 | S | 43.2 | Very low | 56.6 | Low | 100 Ų | 100 | 100.1 Ų | 100.1 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -17.6 | 175.2 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | G67 K68 | G67-S71 PolarHBondContact O-N 3.45Å; G67-S71 PolarHBondContact O-OG 2.85Å; K68-S71 WeakPolarHBondContact O-CB 3.18Å; K68-S71 PolarHBondContact O-N 3.41Å |
| 72 | S | 38.3 | Very low | 54.5 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 80% | 0.804 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 0.8 | 170.7 | 54.2 | 0 | 0 | 0 | 0 | 114 | N70 | N70-S72 PolarHBondContact O-N 3Š|
| 73 | S | 40.8 | Very low | 52.1 | Low | 77 Ų | 77 | 107.9 Ų | 107.9 | 54% | 0.538 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -141.1 | 72.7 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 110 | N70 Q75 | N70-S73 CarbonylContact O-C 3.21Å; N70-S73 PolarHBondContact O-N 3.22Å; S73-Q75 VanDerWaalsContact C-N 3.35Å; S73-Q75 PolarHBondContact O-N 2.89Å |
| 74 | A | 43.5 | Very low | 50.1 | Low | 98 Ų | 98 | 112.2 Ų | 112.2 | 81% | 0.81 | 63% | 0.633 | S | S | * | * | trans | -66.3 | 86.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 75 | Q | 48.2 | Very low | 48.3 | Very low | 182 Ų | 182 | 110.7 Ų | 110.7 | 85% | 0.85 | 64% | 0.641 | S | S | * | * | trans | -156.6 | 86.5 | 169.1 | -126.8 | 177.7 | 90.2 | 0 | 0 | 112.3 | S73 | S73-Q75 VanDerWaalsContact C-N 3.35Å; S73-Q75 PolarHBondContact O-N 2.89Å | ||
| 76 | L | 41.8 | Very low | 46.6 | Very low | 96 Ų | 96 | 117.7 Ų | 117.7 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -151.9 | 131.3 | 152.3 | -158.7 | 62.8 | 0 | 0 | 0 | 112.1 | ||
| 77 | T | 35.4 | Very low | 45.4 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 45% | 0.448 | 70% | 0.701 | S | S | . | * | trans | 53.2 | 82.2 | 173.5 | 49.3 | 0 | 0 | 0 | 0 | 116.9 | I79 | T77-I79 HydrophobicContact CG2-CD1 4.15Å; T77-I79 HydrophobicContact CG2-CG1 4.35Å; T77-I79 PolarHBondContact O-N 3.19Å | ||
| 78 | T | 38.2 | Very low | 44.7 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | trans | -68.7 | 112.1 | 135.8 | -59.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 79 | I | 40.2 | Very low | 43.6 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | -127.1 | 129.4 | 160.1 | -62.2 | 179.7 | 0 | 0 | 0 | 105.9 | T77 | T77-I79 HydrophobicContact CG2-CD1 4.15Å; T77-I79 HydrophobicContact CG2-CG1 4.35Å; T77-I79 PolarHBondContact O-N 3.19Å | ||
| 80 | K | 43.5 | Very low | 42.8 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -70.8 | 133.7 | -177.9 | -58.6 | 176.1 | -178.2 | -179.8 | 0 | 109.8 | ||||
| 81 | S | 33.7 | Very low | 42.3 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | trans | -112.2 | 122.3 | 141.7 | 55 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 82 | D | 45.5 | Very low | 42.3 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | -60.1 | 149.1 | 157.3 | -60.6 | -74.8 | 0 | 0 | 0 | 109 | ||||
| 83 | E | 38.4 | Very low | 42.7 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 179.1 | 111.6 | 143.3 | -98 | -67.4 | 83.8 | 0 | 0 | 107.6 | S85 | E83-S85 PolarHBondContact O-N 3.49Š| ||
| 84 | T | 49.6 | Very low | 42.8 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -66 | 122.4 | -174 | 44.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 85 | S | 49.3 | Very low | 43 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -170 | 154 | 152.5 | -93.2 | 0 | 0 | 0 | 0 | 113.9 | E83 | E83-S85 PolarHBondContact O-N 3.49Š| ||
| 86 | K | 46.6 | Very low | 43 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | 70.5 | 52.3 | 171.2 | -53.2 | -171.9 | -176.7 | -174.7 | 0 | 117.8 | ||||
| 87 | L | 45.9 | Very low | 43.1 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 95% | 0.948 | 79% | 0.789 | S | S | * | * | trans | -119 | 86.8 | 137.3 | -77.3 | -179.9 | 0 | 0 | 0 | 108.8 | ||||
| 88 | L | 48 | Very low | 43.7 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -145.5 | 98.4 | 172.6 | -116.2 | 174.1 | 0 | 0 | 0 | 107.8 | ||||
| 89 | C | 39.3 | Very low | 44.1 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -179.4 | 103.1 | 156.3 | -97.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 90 | T | 39.7 | Very low | 44.4 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | 46.5 | 102 | 126.2 | 57.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 91 | A | 39.3 | Very low | 44.4 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | 70.7 | 130.9 | 52.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 92 | A | 42.8 | Very low | 44.8 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 56.4 | 108.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 93 | A | 47.2 | Very low | 44.8 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -138.3 | 130.2 | 147 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 94 | D | 42.6 | Very low | 45.3 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -80.9 | 155.1 | -162.8 | -74.5 | -68.2 | 0 | 0 | 0 | 115.3 | T96 | D94-T96 PolarHBondContact O-N 3.36Š| ||
| 95 | I | 47.7 | Very low | 45.1 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -85.4 | 85 | 167.8 | -53.2 | 173.3 | 0 | 0 | 0 | 108 | ||||
| 96 | T | 48.5 | Very low | 44.7 | Very low | 116 Ų | 116 | 143 Ų | 143 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | -116 | 101.5 | 171 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | D94 | D94-T96 PolarHBondContact O-N 3.36Š| ||
| 97 | M | 43.8 | Very low | 44.9 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -97 | 115.6 | 172 | -77 | -85 | -67.8 | 0 | 0 | 109.5 | ||||
| 98 | S | 48.7 | Very low | 45 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -162 | 108.7 | 162.9 | 53 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 99 | E | 45.4 | Very low | 45 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | 75.9 | 121.2 | 51.2 | -160 | 171.9 | -157.4 | 0 | 0 | 113.1 | |||||
| 100 | D | 46.5 | Very low | 45 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 85.5 | 157.6 | 159.3 | -130.2 | -9.3 | 0 | 0 | 0 | 122.6 | ||||
| 101 | A | 43 | Very low | 44.9 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | trans | 60.9 | 113.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 102 | L | 42.6 | Very low | 45 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | cis | 92.2 | 131.7 | 49 | -78.9 | 171 | 0 | 0 | 0 | 113.5 | ||||
| 103 | E | 45.3 | Very low | 45.5 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 63.4 | 149.4 | 153 | -66.5 | 161.9 | -158.3 | 0 | 0 | 118.4 | ||||
| 104 | E | 49.2 | Very low | 45.6 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | cis | -175.2 | 176.6 | -32.8 | -102.8 | -103.3 | -148.2 | 0 | 0 | 106.2 | ||||
| 105 | E | 45.8 | Very low | 45.1 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 64 | 116.5 | 164.6 | -42.7 | -162.9 | -173 | 0 | 0 | 121.6 | ||||
| 106 | D | 41.5 | Very low | 44.3 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 53.6 | 120.6 | 132.5 | -65.9 | 7.7 | 0 | 0 | 0 | 124.6 | ||||
| 107 | A | 50.3 | Low | 44.4 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -169.5 | 139.2 | 107.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 108 | E | 48.6 | Very low | 44.1 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -84.2 | 151.6 | 168 | -65.2 | -156 | 159.9 | 0 | 0 | 112.9 | ||||
| 109 | V | 48 | Very low | 43.4 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | trans | -162.7 | 147.7 | 134.4 | 124.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 110 | N | 37.7 | Very low | 43 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -65.3 | 161.8 | -179.4 | -72.3 | -92.3 | 0 | 0 | 0 | 114.8 | ||||
| 111 | G | 38 | Very low | 42.7 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -179.4 | 28.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 112 | E | 42.2 | Very low | 42.5 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -101.1 | 166.8 | 157 | -93.7 | -141.2 | 117.2 | 0 | 0 | 109.8 | ||||
| 113 | P | 52.5 | Low | 42.9 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | cis | -130.2 | -169.6 | 3.6 | 42.6 | -26.9 | 0 | 0 | 0 | 113.7 | ||||
| 114 | E | 49.8 | Very low | 42.5 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | 179.5 | 155.7 | 125.9 | -102 | -78.3 | 63.5 | 0 | 0 | 114.1 | |||||
| 115 | E | 32.3 | Very low | 42.1 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -103.8 | 141.3 | -176.7 | -81.5 | -166.7 | 85.2 | 0 | 0 | 115.5 | ||||
| 116 | C | 30.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 58.6 | -162.4 | 140.9 | -64.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 117 | P | 51.3 | Low | 41.9 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | cis | -136.5 | 167.5 | -8.8 | 41.9 | -25.4 | 0 | 0 | 0 | 117.9 | ||||
| 118 | L | 36.8 | Very low | 41.1 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 55.2 | 161.6 | 151.3 | -89.3 | 68.8 | 0 | 0 | 0 | 119.3 | ||||
| 119 | E | 34.7 | Very low | 40.8 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | cis | -163 | -158.7 | -35 | -111.7 | -73.9 | 51.6 | 0 | 0 | 104.7 | ||||
| 120 | E | 36.2 | Very low | 40.5 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | cis | -161.8 | -174.5 | 3.7 | -143.9 | -88 | 98.2 | 0 | 0 | 108.5 | ||||
| 121 | S | 39.1 | Very low | 40.9 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | 65.8 | 79.5 | 145.6 | -93.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 122 | R | 38.8 | Very low | 41.7 | Very low | 232 Ų | 232 | 137.8 Ų | 137.8 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | 23.3 | 161.6 | 95.2 | -120.6 | -171.4 | -166.9 | -167.2 | 6.8 | 119.7 | |||||
| 123 | P | 52.8 | Low | 41.9 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | -124.9 | -179.2 | -81.4 | 42.6 | -28.4 | 0 | 0 | 0 | 113.7 | |||||
| 124 | T | 36.1 | Very low | 41.4 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 95% | 0.945 | 76% | 0.762 | S | S | * | * | trans | -157.4 | 167.2 | 159.2 | 5.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 125 | A | 41.6 | Very low | 40.9 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -147.8 | 147 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 126 | S | 44.1 | Very low | 41.5 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -164.8 | 151.8 | 157.9 | 62.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 127 | I | 39 | Very low | 42 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | cis | 68.7 | 119.4 | 41.1 | -67.6 | 176.9 | 0 | 0 | 0 | 109.9 | ||||
| 128 | C | 32.7 | Very low | 41.4 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | cis | -169.2 | 171.7 | 7.9 | -137.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 129 | K | 42.3 | Very low | 41.5 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | 74.1 | 128.1 | 155 | -63.2 | -177.7 | -180 | -176.2 | 0 | 118.2 | ||||
| 130 | D | 41.4 | Very low | 42.1 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | 71.7 | 151.7 | 80.9 | -51 | -28.4 | 0 | 0 | 0 | 113.2 | |||||
| 131 | D | 46.8 | Very low | 42 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -174.2 | 156.9 | -31.2 | -171.1 | -18.4 | 0 | 0 | 0 | 105.3 | ||||
| 132 | S | 55 | Low | 41.6 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | 56.8 | 109.3 | 155.3 | -71.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 133 | T | 46.4 | Very low | 41.2 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | -179.7 | 119.9 | 114.9 | 25.7 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 134 | L | 40.5 | Very low | 40.1 | Very low | 162 Ų | 162 | 133 Ų | 133 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | 59.1 | 109.1 | 79.8 | -73 | 177.9 | 0 | 0 | 0 | 115.4 | |||||
| 135 | C | 40.8 | Very low | 39.7 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | trans | -155.7 | 141.3 | 142 | -131.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 136 | L | 44.4 | Very low | 39.3 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | -152.5 | 102.2 | -169.5 | -165.2 | 173.7 | 0 | 0 | 0 | 111 | ||||
| 137 | A | 41.9 | Very low | 39.1 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -175.2 | 170.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 138 | D | 38.3 | Very low | 38.7 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | -174.1 | 119.7 | -58.1 | 175.5 | 39.1 | 0 | 0 | 0 | 107.4 | |||||
| 139 | Q | 39.7 | Very low | 38.5 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 60.3 | 168.5 | 158.9 | -87.8 | 176.6 | 91.8 | 0 | 0 | 121.1 | ||||
| 140 | P | 45.7 | Very low | 38 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 59% | 0.591 | 74% | 0.742 | S | S | * | * | cis | -136.5 | -171 | -26.3 | 37.7 | -19.9 | 0 | 0 | 0 | 114.7 | ||||
| 141 | Q | 33.7 | Very low | 37.7 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 76.2 | 116.6 | 156.2 | -73.8 | -175.1 | -85.8 | 0 | 0 | 118.4 | ||||
| 142 | Q | 32.1 | Very low | 37.3 | Very low | 139 Ų | 139 | 129 Ų | 129 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | 86.7 | 133.7 | 75.8 | -88.1 | -167.1 | -69 | 0 | 0 | 112.8 | |||||
| 143 | E | 30.5 | Very low | 36.2 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | -148.2 | -160.2 | -1.9 | -53.1 | -155.2 | 109.8 | 0 | 0 | 108.8 | ||||
| 144 | H | 29.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 55% | 0.551 | 75% | 0.745 | S | S | * | * | cis | -163.1 | 167.7 | -0.1 | -153.5 | -75.8 | 0 | 0 | 0 | 110 | ||||
| 145 | Y | 28.3 | Very low | 35 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | 68 | 152.9 | 164.3 | -67.5 | -62.2 | 0 | 0 | 0 | 118.2 | ||||
| 146 | S | 31.6 | Very low | 35.5 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | cis | -156.1 | 137.5 | -8 | 38.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 147 | Q | 41 | Very low | 35 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | 62.5 | 127.5 | 102.2 | -156 | 177.1 | 6.2 | 0 | 0 | 115.5 | |||||
| 148 | G | 30.3 | Very low | 34.5 | Very low | 59 Ų | 59 | 131.7 Ų | 131.7 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | cis | -162.7 | 172.3 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 149 | C | 28.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 86% | 0.858 | 73% | 0.725 | S | S | * | * | 65.7 | 127.4 | 95 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 150 | S | 32 | Very low | 34.2 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | cis | -158.4 | -165.4 | 6.6 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 151 | S | 34.9 | Very low | 34.2 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | cis | -161.1 | 174.6 | 4.1 | -152.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 152 | S | 37.3 | Very low | 34.5 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | -84.1 | 159.3 | 177.7 | -48.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 153 | Q | 32.8 | Very low | 35.3 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | 169.1 | 142.9 | 122.8 | -87.7 | 156.3 | 112.2 | 0 | 0 | 109.3 | |||||
| 154 | Q | 34 | Very low | 35.6 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | cis | 102.2 | 116.6 | 21.6 | -170.5 | 179.9 | -5.8 | 0 | 0 | 113.9 | ||||
| 155 | L | 27.5 | Very low | 36.7 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | 68 | 174.2 | 167.9 | -67.2 | 162.6 | 0 | 0 | 0 | 116.4 | ||||
| 156 | P | 50.8 | Low | 37.4 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | -132.6 | -142.7 | -55.4 | 40.4 | -26.1 | 0 | 0 | 0 | 112.7 | |||||
| 157 | H | 34.8 | Very low | 38.3 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 80 | 153 | 170.8 | -45.3 | -70.5 | 0 | 0 | 0 | 117.5 | ||||
| 158 | T | 31.3 | Very low | 38.9 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | cis | -157.9 | 154.6 | -31.7 | 23.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 159 | M | 40.3 | Very low | 39.9 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | 13.9 | 120.9 | 152.5 | -55.5 | -176.4 | -171.8 | 0 | 0 | 120.6 | ||||
| 160 | A | 31.8 | Very low | 40.9 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -150.2 | 104.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R162 | A160-R162 PolarHBondContact O-N 3.49Š| ||
| 161 | Q | 46.3 | Very low | 41.5 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -76.1 | 114.9 | 169.6 | -70 | -171.6 | 8.8 | 0 | 0 | 110.2 | ||||
| 162 | R | 40.2 | Very low | 42.5 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -129.2 | 104 | 157.3 | -77.6 | -169.1 | 169.1 | 138.4 | 0.3 | 110.5 | A160 S164 | A160-R162 PolarHBondContact O-N 3.49Å; R162-S164 PolarHBondContact O-N 3.32Å | ||
| 163 | K | 47.5 | Very low | 43.6 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -68.8 | 90.3 | 173.6 | -64.7 | 177.7 | -179.2 | 178.1 | 0 | 108.9 | K165 | K163-K165 PolarHBondContact O-N 3.47Š| ||
| 164 | S | 37.4 | Very low | 44.9 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -70.7 | 97 | 171.3 | -165.1 | 0 | 0 | 0 | 0 | 109.1 | R162 Y166 | R162-S164 PolarHBondContact O-N 3.32Å; S164-Y166 PolarHBondContact O-N 3.23Å | ||
| 165 | K | 51.7 | Low | 46.4 | Very low | 185 Ų | 185 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -75 | 110.8 | 166.8 | -65.4 | 178.1 | 179.9 | -179.8 | 0 | 107.3 | K163 | K163-K165 PolarHBondContact O-N 3.47Š| ||
| 166 | Y | 42.7 | Very low | 49 | Very low | 218 Ų | 218 | 133.5 Ų | 133.5 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | -118.9 | 139.8 | 152.1 | -126.3 | -96.2 | 0 | 0 | 0 | 108.6 | S164 T168 | S164-Y166 PolarHBondContact O-N 3.23Å; Y166-T168 PolarHBondContact O-N 3.23Å | ||
| 167 | I | 52.3 | Low | 50.9 | Low | 131 Ų | 131 | 134.9 Ų | 134.9 | 67% | 0.672 | 72% | 0.715 | S | S | * | * | trans | -89.2 | 101.5 | -159.2 | -61.5 | 169.2 | 0 | 0 | 0 | 109.3 | ||||
| 168 | T | 52.6 | Low | 53.6 | Low | 147 Ų | 147 | 133 Ų | 133 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | trans | -107.3 | 63.4 | 162.9 | -48.9 | 0 | 0 | 0 | 0 | 108.1 | Y166 | Y166-T168 PolarHBondContact O-N 3.23Š| ||
| 169 | S | 51.4 | Low | 56.5 | Low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | trans | -166.6 | 68.6 | -175.5 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 170 | L | 48.9 | Very low | 59.1 | Low | 148 Ų | 148 | 127.6 Ų | 127.6 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -150.4 | 138.8 | 154.1 | -106.7 | 150.7 | 0 | 0 | 0 | 109.3 | S172 | L170-S172 PolarHBondContact O-N 3.37Š|
| 171 | D | 44.8 | Very low | 62.2 | Low | 112 Ų | 112 | 129.1 Ų | 129.1 | 60% | 0.599 | 67% | 0.667 | S | S | * | * | trans | 21.7 | 81.1 | 165.4 | -134.4 | -18.3 | 0 | 0 | 0 | 121.3 | A173 G174 E175 | D171-A173 PolarHBondContact O-N 3.01Å; D171-G174 PolarHBondContact O-N 3.38Å; D171-E175 VanDerWaalsContact O-OE2 3.04Å | ||
| 172 | S | 57.3 | Low | 64.5 | Low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 1.3 | 173.1 | -169.8 | 0 | 0 | 0 | 0 | 115.9 | L170 | L170-S172 PolarHBondContact O-N 3.37Š|
| 173 | A | 60.3 | Low | 67.2 | Low | 62 Ų | 62 | 117 Ų | 117 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.4 | -30.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D171 D177 | D171-A173 PolarHBondContact O-N 3.01Å; A173-D177 PolarHBondContact O-N 3.15Å |
| 174 | G | 59.5 | Low | 69.6 | Low | 30 Ų | 30 | 110.9 Ų | 110.9 | 31% | 0.309 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75 | -41.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D171 D176 D177 L178 | D171-G174 PolarHBondContact O-N 3.38Å; G174-D176 VanDerWaalsContact C-N 3.27Å; G174-D176 PolarHBondContact O-N 2.99Å; G174-D177 PolarHBondContact O-N 3.5Å; G174-L178 PolarHBondContact O-N 2.85Å |
| 175 | E | 65.6 | Low | 72.5 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.2 | -36.7 | 172.9 | -87.8 | 69.9 | -172.8 | 0 | 0 | 112.3 | D171 L178 I179 | D171-E175 VanDerWaalsContact O-OE2 3.04Å; E175-L178 PolarHBondContact O-N 3.38Å; E175-I179 WeakPolarHBondContact O-CB 3.39Å; E175-I179 WeakPolarHBondContact O-CD1 3.29Å; E175-I179 WeakPolarHBondContact O-CG1 3.45Å; E175-I179 PolarHBondContact O-N 2.8Å |
| 176 | D | 81.5 | Confident | 74.7 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -41.5 | 178 | -91.6 | -1.3 | 0 | 0 | 0 | 111.6 | G174 L178 I179 I180 | G174-D176 VanDerWaalsContact C-N 3.27Å; G174-D176 PolarHBondContact O-N 2.99Å; D176-L178 PolarHBondContact O-N 2.91Å; D176-I179 PolarHBondContact O-N 3.03Å; D176-I180 WeakPolarHBondContact O-CB 3.44Å; D176-I180 WeakPolarHBondContact O-CD1 3.43Å; D176-I180 WeakPolarHBondContact O-CG1 3.47Å; D176-I180 PolarHBondContact O-N 2.88Å |
| 177 | D | 90.4 | Very high | 77.3 | Confident | 114 Ų | 114 | 92.8 Ų | 92.8 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 174.1 | -87.3 | -21.4 | 0 | 0 | 0 | 112.1 | A173 G174 I179 I180 F181 | A173-D177 PolarHBondContact O-N 3.15Å; G174-D177 PolarHBondContact O-N 3.5Å; D177-I179 VanDerWaalsContact C-N 3.34Å; D177-I179 PolarHBondContact O-N 2.81Å; D177-I180 PolarHBondContact O-N 2.96Å; D177-F181 WeakPolarHBondContact O-CB 3.29Å; D177-F181 PolarHBondContact O-N 3.42Å |
| 178 | L | 91.4 | Very high | 79.5 | Confident | 123 Ų | 123 | 91.6 Ų | 91.6 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 175.3 | -68.1 | 175.6 | 0 | 0 | 0 | 112 | G174 E175 D176 G182 | G174-L178 PolarHBondContact O-N 2.85Å; E175-L178 PolarHBondContact O-N 3.38Å; D176-L178 PolarHBondContact O-N 2.91Å; L178-G182 PolarHBondContact O-N 2.99Å |
| 179 | I | 92.8 | Very high | 81.7 | Confident | 87 Ų | 87 | 85.9 Ų | 85.9 | 45% | 0.446 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175 | -73.3 | 164.1 | 0 | 0 | 0 | 110.8 | E175 D176 D177 G182 Q183 | E175-I179 WeakPolarHBondContact O-CB 3.39Å; E175-I179 WeakPolarHBondContact O-CD1 3.29Å; E175-I179 WeakPolarHBondContact O-CG1 3.45Å; E175-I179 PolarHBondContact O-N 2.8Å; D176-I179 PolarHBondContact O-N 3.03Å; D177-I179 VanDerWaalsContact C-N 3.34Å; D177-I179 PolarHBondContact O-N 2.81Å; I179-G182 PolarHBondContact O-N 3.38Å; I179-Q183 VanDerWaalsContact CG2-NE2 3.29Å; I179-Q183 WeakPolarHBondContact O-CB 3.44Å; I179-Q183 VanDerWaalsContact O-CG 3.29Å; I179-Q183 WeakPolarHBondContact O-CG 3.29Å; I179-Q183 PolarHBondContact O-N 3.2Å |
| 180 | I | 94.2 | Very high | 83.9 | Confident | 104 Ų | 104 | 89.7 Ų | 89.7 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.9 | -70.7 | 162.3 | 0 | 0 | 0 | 110.5 | D176 D177 Q183 S184 | D176-I180 WeakPolarHBondContact O-CB 3.44Å; D176-I180 WeakPolarHBondContact O-CD1 3.43Å; D176-I180 WeakPolarHBondContact O-CG1 3.47Å; D176-I180 PolarHBondContact O-N 2.88Å; D177-I180 PolarHBondContact O-N 2.96Å; I180-Q183 PolarHBondContact O-N 2.93Å; I180-S184 PolarHBondContact O-N 3.42Å |
| 181 | F | 96.6 | Very high | 86.2 | Confident | 132 Ų | 132 | 87.8 Ų | 87.8 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 175.1 | 179.7 | -105.1 | 0 | 0 | 0 | 111.9 | D177 Q183 S184 I185 | D177-F181 WeakPolarHBondContact O-CB 3.29Å; D177-F181 PolarHBondContact O-N 3.42Å; F181-Q183 VanDerWaalsContact C-N 3.29Å; F181-Q183 PolarHBondContact O-N 3.2Å; F181-S184 WeakPolarHBondContact O-CB 3.44Å; F181-S184 PolarHBondContact O-N 3Å; F181-I185 HydrophobicContact CD1-CG1 4.34Å; F181-I185 HydrophobicContact CE1-CD1 4.44Å; F181-I185 HydrophobicContact CE1-CG1 3.88Å; F181-I185 HydrophobicContact CE2-CD1 4.11Å; F181-I185 HydrophobicContact CE2-CG1 4.15Å; F181-I185 HydrophobicContact CZ-CD1 3.85Å; F181-I185 HydrophobicContact CZ-CG1 3.78Å; F181-I185 PolarHBondContact O-N 3.46Å |
| 182 | G | 96.4 | Very high | 88.8 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L178 I179 A186 | L178-G182 PolarHBondContact O-N 2.99Å; I179-G182 PolarHBondContact O-N 3.38Å; G182-A186 VanDerWaalsContact O-CB 3.28Å; G182-A186 WeakPolarHBondContact O-CB 3.45Å; G182-A186 PolarHBondContact O-N 3.4Å |
| 183 | Q | 96.4 | Very high | 90.5 | Very high | 123 Ų | 123 | 85.4 Ų | 85.4 | 58% | 0.575 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.8 | -38.7 | 173.1 | -73.6 | -179.9 | 43.2 | 0 | 0 | 112.7 | I179 I180 F181 A186 S187 | I179-Q183 VanDerWaalsContact CG2-NE2 3.29Å; I179-Q183 WeakPolarHBondContact O-CB 3.44Å; I179-Q183 VanDerWaalsContact O-CG 3.29Å; I179-Q183 WeakPolarHBondContact O-CG 3.29Å; I179-Q183 PolarHBondContact O-N 3.2Å; I180-Q183 PolarHBondContact O-N 2.93Å; F181-Q183 VanDerWaalsContact C-N 3.29Å; F181-Q183 PolarHBondContact O-N 3.2Å; Q183-A186 PolarHBondContact O-N 3.36Å; Q183-S187 WeakPolarHBondContact O-CB 3.31Å; Q183-S187 PolarHBondContact O-N 3.04Å |
| 184 | S | 97.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 85.8 Ų | 85.8 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.9 | -50.7 | 175 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | I180 F181 A186 S187 Q188 | I180-S184 PolarHBondContact O-N 3.42Å; F181-S184 WeakPolarHBondContact O-CB 3.44Å; F181-S184 PolarHBondContact O-N 3Å; S184-A186 VanDerWaalsContact C-N 3.33Å; S184-A186 PolarHBondContact O-N 3.24Å; S184-S187 WeakPolarHBondContact O-CA 3.37Å; S184-S187 VanDerWaalsContact O-CB 3.26Å; S184-S187 WeakPolarHBondContact O-CB 3.48Å; S184-S187 PolarHBondContact O-N 3.29Å; S184-Q188 WeakPolarHBondContact O-CG 3.34Å; S184-Q188 PolarHBondContact O-N 3Å; S184-Q188 PolarHBondContact OG-NE2 3.13Å |
| 185 | I | 97.9 | Very high | 94.1 | Very high | 43 Ų | 43 | 87.5 Ų | 87.5 | 22% | 0.221 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 175.9 | -62.4 | -60.5 | 0 | 0 | 0 | 111 | F181 S187 Q188 L189 I205 | F181-I185 HydrophobicContact CD1-CG1 4.34Å; F181-I185 HydrophobicContact CE1-CD1 4.44Å; F181-I185 HydrophobicContact CE1-CG1 3.88Å; F181-I185 HydrophobicContact CE2-CD1 4.11Å; F181-I185 HydrophobicContact CE2-CG1 4.15Å; F181-I185 HydrophobicContact CZ-CD1 3.85Å; F181-I185 HydrophobicContact CZ-CG1 3.78Å; F181-I185 PolarHBondContact O-N 3.46Å; I185-S187 PolarHBondContact O-N 3.32Å; I185-Q188 PolarHBondContact O-N 3.42Å; I185-L189 HydrophobicContact CG2-CD1 4.14Å; I185-L189 HydrophobicContact CG2-CG 4.49Å; I185-L189 WeakPolarHBondContact O-CG 3.42Å; I185-L189 PolarHBondContact O-N 3.47Å; I185-I205 HydrophobicContact CG2-CD1 3.81Å |
| 186 | A | 97.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 90.8 Ų | 90.8 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -28 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | G182 Q183 S184 R190 | G182-A186 VanDerWaalsContact O-CB 3.28Å; G182-A186 WeakPolarHBondContact O-CB 3.45Å; G182-A186 PolarHBondContact O-N 3.4Å; Q183-A186 PolarHBondContact O-N 3.36Å; S184-A186 VanDerWaalsContact C-N 3.33Å; S184-A186 PolarHBondContact O-N 3.24Å; A186-R190 WeakPolarHBondContact O-CG 3.48Å; A186-R190 VanDerWaalsContact O-CZ 3.29Å; A186-R190 PolarHBondContact O-N 2.95Å; A186-R190 PolarHBondContact O-NH1 3.09Å |
| 187 | S | 97.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 89 Ų | 89 | 43% | 0.427 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.4 | -49.8 | 173 | -155.2 | 0 | 0 | 0 | 0 | 111.4 | Q183 S184 I185 L189 R190 T191 | Q183-S187 WeakPolarHBondContact O-CB 3.31Å; Q183-S187 PolarHBondContact O-N 3.04Å; S184-S187 WeakPolarHBondContact O-CA 3.37Å; S184-S187 VanDerWaalsContact O-CB 3.26Å; S184-S187 WeakPolarHBondContact O-CB 3.48Å; S184-S187 PolarHBondContact O-N 3.29Å; I185-S187 PolarHBondContact O-N 3.32Å; S187-L189 VanDerWaalsContact C-N 3.34Å; S187-L189 PolarHBondContact O-N 3.15Å; S187-R190 WeakPolarHBondContact O-CB 3.22Å; S187-R190 PolarHBondContact O-N 3.14Å; S187-T191 PolarHBondContact O-N 2.77Å |
| 188 | Q | 98.3 | Very high | 96.9 | Very high | 106 Ų | 106 | 86.8 Ų | 86.8 | 50% | 0.495 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 177.1 | -64.6 | 172.1 | 45 | 0 | 0 | 111.2 | S184 I185 R190 T191 I192 | S184-Q188 WeakPolarHBondContact O-CG 3.34Å; S184-Q188 PolarHBondContact O-N 3Å; S184-Q188 PolarHBondContact OG-NE2 3.13Å; I185-Q188 PolarHBondContact O-N 3.42Å; Q188-R190 PolarHBondContact O-N 2.96Å; Q188-T191 PolarHBondContact O-N 3.1Å; Q188-T191 PolarHBondContact O-OG1 3.34Å; Q188-I192 PolarHBondContact O-N 3.42Å |
| 189 | L | 98.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 83.9 Ų | 83.9 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.9 | -25.5 | 175.4 | -72.3 | 174.5 | 0 | 0 | 0 | 114 | I185 S187 I192 R198 A201 K202 I205 | I185-L189 HydrophobicContact CG2-CD1 4.14Å; I185-L189 HydrophobicContact CG2-CG 4.49Å; I185-L189 WeakPolarHBondContact O-CG 3.42Å; I185-L189 PolarHBondContact O-N 3.47Å; S187-L189 VanDerWaalsContact C-N 3.34Å; S187-L189 PolarHBondContact O-N 3.15Å; L189-I192 HydrophobicContact CD2-CD1 4.12Å; L189-R198 WeakPolarHBondContact O-CD 3.36Å; L189-R198 WeakPolarHBondContact O-CG 3.35Å; L189-A201 HydrophobicContact CD2-CB 3.68Å; L189-K202 HydrophobicContact CD1-CG 3.99Å; L189-K202 HydrophobicContact CD2-CG 4.34Å; L189-I205 HydrophobicContact CD1-CD1 4.2Å; L189-I205 HydrophobicContact CD2-CD1 4.4Å |
| 190 | R | 97.9 | Very high | 97.5 | Very high | 178 Ų | 178 | 82.4 Ų | 82.4 | 67% | 0.672 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -79.3 | -25.8 | 172.8 | -70.7 | 176.8 | -145 | 107.8 | 1.1 | 113 | A186 S187 Q188 | A186-R190 WeakPolarHBondContact O-CG 3.48Å; A186-R190 VanDerWaalsContact O-CZ 3.29Å; A186-R190 PolarHBondContact O-N 2.95Å; A186-R190 PolarHBondContact O-NH1 3.09Å; S187-R190 WeakPolarHBondContact O-CB 3.22Å; S187-R190 PolarHBondContact O-N 3.14Å; Q188-R190 PolarHBondContact O-N 2.96Å |
| 191 | T | 98 | Very high | 97.6 | Very high | 109 Ų | 109 | 78.9 Ų | 78.9 | 67% | 0.669 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -77.7 | -19.4 | 177.8 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | S187 Q188 P193 | S187-T191 PolarHBondContact O-N 2.77Å; Q188-T191 PolarHBondContact O-N 3.1Å; Q188-T191 PolarHBondContact O-OG1 3.34Å; T191-P193 VanDerWaalsContact O-CD 3.28Å; T191-P193 WeakPolarHBondContact O-CD 3.47Å |
| 192 | I | 97.8 | Very high | 97.7 | Very high | 48 Ų | 48 | 77.6 Ų | 77.6 | 25% | 0.246 | 43% | 0.425 | C | S | . | . | trans | -69.3 | 115.9 | 172.6 | -56 | 172.1 | 0 | 0 | 0 | 108.6 | Q188 L189 R198 A201 | Q188-I192 PolarHBondContact O-N 3.42Å; L189-I192 HydrophobicContact CD2-CD1 4.12Å; I192-R198 HydrophobicContact CB-CB 4.14Å; I192-R198 HydrophobicContact CG2-CB 3.96Å; I192-R198 PolarHBondContact O-NH1 3.21Å; I192-A201 HydrophobicContact CD1-CB 4.22Å | ||
| 193 | P | 94.8 | Very high | 97.8 | Very high | 121 Ų | 121 | 81 Ų | 81 | 79% | 0.786 | 43% | 0.433 | S | S | * | . | trans | -74.7 | -46.3 | -175.9 | 28.1 | -32.5 | 0 | 0 | 0 | 111.7 | T191 S195 R198 | T191-P193 VanDerWaalsContact O-CD 3.28Å; T191-P193 WeakPolarHBondContact O-CD 3.47Å; P193-S195 PolarHBondContact O-N 2.92Å; P193-R198 PolarHBondContact O-NH1 3.36Å | ||
| 194 | D | 97.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 82.2 Ų | 82.2 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | trans | -63.4 | 129.4 | 178.9 | 169.4 | 34 | 0 | 0 | 0 | 111.7 | Y196 S197 R198 | D194-Y196 PolarHBondContact OD1-N 3.2Å; D194-S197 WeakPolarHBondContact OD2-CB 3.44Å; D194-S197 PolarHBondContact OD2-N 3.14Å; D194-S197 PolarHBondContact OD2-OG 2.84Å; D194-R198 WeakPolarHBondContact O-CB 3.22Å; D194-R198 PolarHBondContact O-N 3.21Å | ||
| 195 | S | 97.6 | Very high | 97.8 | Very high | 66 Ų | 66 | 82.9 Ų | 82.9 | 46% | 0.462 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -75.8 | -24.7 | 179.1 | -152.8 | 0 | 0 | 0 | 0 | 113.6 | P193 R198 S199 | P193-S195 PolarHBondContact O-N 2.92Å; S195-R198 VanDerWaalsContact CA-NH2 3.31Å; S195-R198 PolarHBondContact OG-NH2 3.36Å; S195-S199 WeakPolarHBondContact O-CB 3.35Å; S195-S199 PolarHBondContact O-N 2.85Å; S195-S199 PolarHBondContact O-OG 3.01Å |
| 196 | Y | 98 | Very high | 97.8 | Very high | 174 Ų | 174 | 87 Ų | 87 | 68% | 0.682 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.1 | -56.7 | 176.1 | 176.8 | -100 | 0 | 0 | 0 | 110.3 | D194 R198 S199 V200 | D194-Y196 PolarHBondContact OD1-N 3.2Å; Y196-R198 VanDerWaalsContact C-N 3.29Å; Y196-R198 PolarHBondContact O-N 2.9Å; Y196-S199 CarbonylContact O-C 3.59Å; Y196-S199 WeakPolarHBondContact O-CA 3.29Å; Y196-S199 WeakPolarHBondContact O-CB 2.95Å; Y196-S199 PolarHBondContact O-N 3.32Å; Y196-V200 HydrophobicContact CD1-CG2 4.21Å; Y196-V200 HydrophobicContact CE1-CG2 3.79Å; Y196-V200 HydrophobicContact CE2-CG2 4.13Å; Y196-V200 PolarHBondContact O-N 2.9Å |
| 197 | S | 98 | Very high | 97.6 | Very high | 57 Ų | 57 | 88.7 Ų | 88.7 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -54.8 | -42.2 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | D194 S199 V200 A201 | D194-S197 WeakPolarHBondContact OD2-CB 3.44Å; D194-S197 PolarHBondContact OD2-N 3.14Å; D194-S197 PolarHBondContact OD2-OG 2.84Å; S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 3.34Å; S197-V200 PolarHBondContact O-N 3.46Å; S197-A201 WeakPolarHBondContact O-CB 3.49Å; S197-A201 PolarHBondContact O-N 3.25Å |
| 198 | R | 98.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 89.2 Ų | 89.2 | 25% | 0.253 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -26.8 | 174.8 | -177.7 | 171.5 | 60.7 | -125.6 | -0.5 | 113.5 | L189 I192 P193 D194 S195 Y196 K202 | L189-R198 WeakPolarHBondContact O-CD 3.36Å; L189-R198 WeakPolarHBondContact O-CG 3.35Å; I192-R198 HydrophobicContact CB-CB 4.14Å; I192-R198 HydrophobicContact CG2-CB 3.96Å; I192-R198 PolarHBondContact O-NH1 3.21Å; P193-R198 PolarHBondContact O-NH1 3.36Å; D194-R198 WeakPolarHBondContact O-CB 3.22Å; D194-R198 PolarHBondContact O-N 3.21Å; S195-R198 VanDerWaalsContact CA-NH2 3.31Å; S195-R198 PolarHBondContact OG-NH2 3.36Å; Y196-R198 VanDerWaalsContact C-N 3.29Å; Y196-R198 PolarHBondContact O-N 2.9Å; R198-K202 WeakPolarHBondContact O-CG 3.31Å; R198-K202 PolarHBondContact O-N 2.72Å |
| 199 | S | 98.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 89.5 Ų | 89.5 | 43% | 0.434 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -84.7 | -39.9 | 176 | -56 | 0 | 0 | 0 | 0 | 111.7 | S195 Y196 S197 A201 K202 L203 | S195-S199 WeakPolarHBondContact O-CB 3.35Å; S195-S199 PolarHBondContact O-N 2.85Å; S195-S199 PolarHBondContact O-OG 3.01Å; Y196-S199 CarbonylContact O-C 3.59Å; Y196-S199 WeakPolarHBondContact O-CA 3.29Å; Y196-S199 WeakPolarHBondContact O-CB 2.95Å; Y196-S199 PolarHBondContact O-N 3.32Å; S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 3.34Å; S199-A201 VanDerWaalsContact C-N 3.33Å; S199-A201 PolarHBondContact O-N 3.31Å; S199-K202 PolarHBondContact O-N 3.18Å; S199-L203 PolarHBondContact O-N 2.99Å |
| 200 | V | 98.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 94 Ų | 94 | 33% | 0.333 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 172 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | Y196 S197 K202 L203 R204 | Y196-V200 HydrophobicContact CD1-CG2 4.21Å; Y196-V200 HydrophobicContact CE1-CG2 3.79Å; Y196-V200 HydrophobicContact CE2-CG2 4.13Å; Y196-V200 PolarHBondContact O-N 2.9Å; S197-V200 PolarHBondContact O-N 3.46Å; V200-K202 PolarHBondContact O-N 3.05Å; V200-L203 PolarHBondContact O-N 3.46Å; V200-R204 WeakPolarHBondContact O-CG 3.38Å; V200-R204 PolarHBondContact O-N 3.03Å |
| 201 | A | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 88.3 Ų | 88.3 | 25% | 0.248 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L189 I192 S197 S199 R204 I205 | L189-A201 HydrophobicContact CD2-CB 3.68Å; I192-A201 HydrophobicContact CD1-CB 4.22Å; S197-A201 WeakPolarHBondContact O-CB 3.49Å; S197-A201 PolarHBondContact O-N 3.25Å; S199-A201 VanDerWaalsContact C-N 3.33Å; S199-A201 PolarHBondContact O-N 3.31Å; A201-R204 PolarHBondContact O-N 3.28Å; A201-I205 WeakPolarHBondContact O-CD1 3.43Å; A201-I205 VanDerWaalsContact O-CG1 3.28Å; A201-I205 WeakPolarHBondContact O-CG1 3.27Å; A201-I205 PolarHBondContact O-N 3.25Å |
| 202 | K | 98 | Very high | 96.8 | Very high | 106 Ų | 106 | 85.9 Ų | 85.9 | 46% | 0.461 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 174 | -75.2 | 174.9 | 177.1 | -172.4 | 0 | 112.2 | L189 R198 S199 V200 R204 I205 Q206 | L189-K202 HydrophobicContact CD1-CG 3.99Å; L189-K202 HydrophobicContact CD2-CG 4.34Å; R198-K202 WeakPolarHBondContact O-CG 3.31Å; R198-K202 PolarHBondContact O-N 2.72Å; S199-K202 PolarHBondContact O-N 3.18Å; V200-K202 PolarHBondContact O-N 3.05Å; K202-R204 VanDerWaalsContact C-N 3.31Å; K202-R204 PolarHBondContact O-N 3.36Å; K202-I205 PolarHBondContact O-N 3.06Å; K202-Q206 WeakPolarHBondContact O-CG 3.48Å; K202-Q206 PolarHBondContact O-N 2.98Å |
| 203 | L | 98.1 | Very high | 96.5 | Very high | 108 Ų | 108 | 91.5 Ų | 91.5 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.9 | -42.8 | 179.8 | 178.7 | 62.5 | 0 | 0 | 0 | 111.5 | S199 V200 Q206 Q207 | S199-L203 PolarHBondContact O-N 2.99Å; V200-L203 PolarHBondContact O-N 3.46Å; L203-Q206 PolarHBondContact O-N 3.29Å; L203-Q207 WeakPolarHBondContact O-CB 3.28Å; L203-Q207 PolarHBondContact O-N 3.1Å |
| 204 | R | 97.8 | Very high | 96.3 | Very high | 150 Ų | 150 | 88.6 Ų | 88.6 | 57% | 0.566 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67.5 | -38.5 | 176.7 | -68.1 | -58 | -167.2 | -177.3 | 5.6 | 113.1 | V200 A201 K202 Q207 V208 | V200-R204 WeakPolarHBondContact O-CG 3.38Å; V200-R204 PolarHBondContact O-N 3.03Å; A201-R204 PolarHBondContact O-N 3.28Å; K202-R204 VanDerWaalsContact C-N 3.31Å; K202-R204 PolarHBondContact O-N 3.36Å; R204-Q207 PolarHBondContact O-N 2.79Å; R204-V208 WeakPolarHBondContact O-CG2 3.34Å; R204-V208 PolarHBondContact O-N 3.36Å |
| 205 | I | 97.1 | Very high | 95.7 | Very high | 67 Ų | 67 | 88.5 Ų | 88.5 | 34% | 0.344 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 173.6 | -67.6 | 160.3 | 0 | 0 | 0 | 110.4 | I185 L189 A201 K202 V208 L209 | I185-I205 HydrophobicContact CG2-CD1 3.81Å; L189-I205 HydrophobicContact CD1-CD1 4.2Å; L189-I205 HydrophobicContact CD2-CD1 4.4Å; A201-I205 WeakPolarHBondContact O-CD1 3.43Å; A201-I205 VanDerWaalsContact O-CG1 3.28Å; A201-I205 WeakPolarHBondContact O-CG1 3.27Å; A201-I205 PolarHBondContact O-N 3.25Å; K202-I205 PolarHBondContact O-N 3.06Å; I205-V208 PolarHBondContact O-N 3.44Å; I205-L209 HydrophobicContact CG2-CD1 4.06Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 2.59Å; I205-L209 VanDerWaalsContact O-N 3.09Å |
| 206 | Q | 96.2 | Very high | 94.7 | Very high | 129 Ų | 129 | 92.2 Ų | 92.2 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 177 | -70.5 | 177.1 | -64.7 | 0 | 0 | 112.3 | K202 L203 L209 F210 | K202-Q206 WeakPolarHBondContact O-CG 3.48Å; K202-Q206 PolarHBondContact O-N 2.98Å; L203-Q206 PolarHBondContact O-N 3.29Å; Q206-L209 PolarHBondContact O-N 2.85Å; Q206-F210 WeakPolarHBondContact O-CB 3.49Å; Q206-F210 PolarHBondContact O-N 3.11Å |
| 207 | Q | 95.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 88.9 Ų | 88.9 | 33% | 0.327 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 175.6 | -179.7 | -177.9 | -5.5 | 0 | 0 | 111.5 | L203 R204 L209 F210 E211 | L203-Q207 WeakPolarHBondContact O-CB 3.28Å; L203-Q207 PolarHBondContact O-N 3.1Å; R204-Q207 PolarHBondContact O-N 2.79Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 3.34Å; Q207-F210 PolarHBondContact O-N 3.25Å; Q207-F210 VanDerWaalsContact O-N 3.16Å; Q207-E211 HydrophobicContact CG-CG 4.4Å; Q207-E211 VanDerWaalsContact CG-OE1 3.23Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.49Å; Q207-E211 PolarHBondContact NE2-OE1 3.28Å; Q207-E211 WeakPolarHBondContact O-CG 3.32Å; Q207-E211 PolarHBondContact O-N 3.24Å |
| 208 | V | 95.8 | Very high | 92.2 | Very high | 72 Ų | 72 | 94.5 Ų | 94.5 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 179.2 | 165.8 | 0 | 0 | 0 | 0 | 111.8 | R204 I205 A212 F217 | R204-V208 WeakPolarHBondContact O-CG2 3.34Å; R204-V208 PolarHBondContact O-N 3.36Å; I205-V208 PolarHBondContact O-N 3.44Å; V208-A212 WeakPolarHBondContact O-CB 3.44Å; V208-A212 PolarHBondContact O-N 2.88Å; V208-F217 HydrophobicContact CG1-CE2 4.12Å |
| 209 | L | 95 | Very high | 90.4 | Very high | 111 Ų | 111 | 95.1 Ų | 95.1 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 175.4 | -70.5 | 169.8 | 0 | 0 | 0 | 111.9 | I205 Q206 Q207 A212 E213 | I205-L209 HydrophobicContact CG2-CD1 4.06Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 2.59Å; I205-L209 VanDerWaalsContact O-N 3.09Å; Q206-L209 PolarHBondContact O-N 2.85Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 3.34Å; L209-A212 PolarHBondContact O-N 3.29Å; L209-E213 WeakPolarHBondContact O-CB 3.34Å; L209-E213 PolarHBondContact O-N 2.96Å |
| 210 | F | 94.8 | Very high | 88.4 | Confident | 124 Ų | 124 | 98 Ų | 98 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 177.2 | -180 | -98.5 | 0 | 0 | 0 | 112.7 | Q206 Q207 A212 E213 T214 | Q206-F210 WeakPolarHBondContact O-CB 3.49Å; Q206-F210 PolarHBondContact O-N 3.11Å; Q207-F210 PolarHBondContact O-N 3.25Å; Q207-F210 VanDerWaalsContact O-N 3.16Å; F210-A212 VanDerWaalsContact C-N 3.29Å; F210-A212 PolarHBondContact O-N 2.87Å; F210-E213 PolarHBondContact O-N 3.08Å; F210-T214 HydrophobicContact CD1-CG2 4.29Å; F210-T214 HydrophobicContact CD2-CG2 4.17Å; F210-T214 HydrophobicContact CE1-CG2 3.9Å; F210-T214 HydrophobicContact CE2-CG2 3.77Å; F210-T214 HydrophobicContact CG-CG2 4.43Å; F210-T214 HydrophobicContact CZ-CG2 3.63Å; F210-T214 WeakPolarHBondContact O-CB 3.16Å; F210-T214 WeakPolarHBondContact O-CG2 3.5Å; F210-T214 PolarHBondContact O-N 3.15Å; F210-T214 PolarHBondContact O-OG1 3.37Å |
| 211 | E | 94 | Very high | 86.2 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 27% | 0.266 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 173.9 | -73.6 | 167.2 | -179.6 | 0 | 0 | 111.5 | Q207 T214 G215 Q216 F217 | Q207-E211 HydrophobicContact CG-CG 4.4Å; Q207-E211 VanDerWaalsContact CG-OE1 3.23Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.49Å; Q207-E211 PolarHBondContact NE2-OE1 3.28Å; Q207-E211 WeakPolarHBondContact O-CG 3.32Å; Q207-E211 PolarHBondContact O-N 3.24Å; E211-T214 PolarHBondContact O-OG1 3.07Å; E211-G215 PolarHBondContact O-N 3.13Å; E211-Q216 CarbonylContact O-C 3.56Å; E211-Q216 PolarHBondContact O-N 3.06Å; E211-F217 HydrophobicContact CB-CD2 4.35Å; E211-F217 PolarHBondContact O-N 2.92Å |
| 212 | A | 92.9 | Very high | 84 | Confident | 59 Ų | 59 | 108.3 Ų | 108.3 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.1 | -45.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | V208 L209 F210 T214 G215 | V208-A212 WeakPolarHBondContact O-CB 3.44Å; V208-A212 PolarHBondContact O-N 2.88Å; L209-A212 PolarHBondContact O-N 3.29Å; F210-A212 VanDerWaalsContact C-N 3.29Å; F210-A212 PolarHBondContact O-N 2.87Å; A212-T214 PolarHBondContact O-N 2.87Å; A212-G215 PolarHBondContact O-N 2.89Å |
| 213 | E | 91.3 | Very high | 81.4 | Confident | 166 Ų | 166 | 109.7 Ų | 109.7 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.6 | -38.5 | 178.7 | -175.6 | 176.6 | -176.1 | 0 | 0 | 112.5 | L209 F210 G215 | L209-E213 WeakPolarHBondContact O-CB 3.34Å; L209-E213 PolarHBondContact O-N 2.96Å; F210-E213 PolarHBondContact O-N 3.08Å; E213-G215 VanDerWaalsContact C-N 3.32Å |
| 214 | T | 90.8 | Very high | 79 | Confident | 60 Ų | 60 | 110.4 Ų | 110.4 | 37% | 0.368 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -3.3 | 178.4 | 56 | 0 | 0 | 0 | 0 | 114.2 | F210 E211 A212 Q216 | F210-T214 HydrophobicContact CD1-CG2 4.29Å; F210-T214 HydrophobicContact CD2-CG2 4.17Å; F210-T214 HydrophobicContact CE1-CG2 3.9Å; F210-T214 HydrophobicContact CE2-CG2 3.77Å; F210-T214 HydrophobicContact CG-CG2 4.43Å; F210-T214 HydrophobicContact CZ-CG2 3.63Å; F210-T214 WeakPolarHBondContact O-CB 3.16Å; F210-T214 WeakPolarHBondContact O-CG2 3.5Å; F210-T214 PolarHBondContact O-N 3.15Å; F210-T214 PolarHBondContact O-OG1 3.37Å; E211-T214 PolarHBondContact O-OG1 3.07Å; A212-T214 PolarHBondContact O-N 2.87Å; T214-Q216 PolarHBondContact O-N 3.27Å |
| 215 | G | 85.4 | Confident | 76.7 | Confident | 69 Ų | 69 | 108.7 Ų | 108.7 | 71% | 0.711 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 15.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E211 A212 E213 | E211-G215 PolarHBondContact O-N 3.13Å; A212-G215 PolarHBondContact O-N 2.89Å; E213-G215 VanDerWaalsContact C-N 3.32Å |
| 216 | Q | 78.1 | Confident | 74.4 | Confident | 143 Ų | 143 | 114 Ų | 114 | 67% | 0.668 | 62% | 0.621 | S | S | * | * | trans | -94.4 | 8.6 | 178.7 | -61.5 | -167.3 | -0.9 | 0 | 0 | 113.3 | E211 T214 Q218 | E211-Q216 CarbonylContact O-C 3.56Å; E211-Q216 PolarHBondContact O-N 3.06Å; T214-Q216 PolarHBondContact O-N 3.27Å; Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 3.25Å | ||
| 217 | F | 76.6 | Confident | 72 | Confident | 104 Ų | 104 | 115.9 Ų | 115.9 | 46% | 0.456 | 64% | 0.635 | S | S | . | * | trans | -64.4 | 86.7 | 178.3 | -169.7 | -95.8 | 0 | 0 | 0 | 112 | V208 E211 S219 | V208-F217 HydrophobicContact CG1-CE2 4.12Å; E211-F217 HydrophobicContact CB-CD2 4.35Å; E211-F217 PolarHBondContact O-N 2.92Å; F217-S219 PolarHBondContact O-N 3.2Å | ||
| 218 | Q | 65.5 | Low | 69.9 | Low | 175 Ų | 175 | 121 Ų | 121 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -76.6 | 101.4 | 167.2 | -72.3 | -169.3 | 87.4 | 0 | 0 | 109.1 | Q216 T220 | Q216-Q218 VanDerWaalsContact C-N 3.34Å; Q216-Q218 PolarHBondContact O-N 3.25Å; Q218-T220 PolarHBondContact O-N 2.87Å | ||
| 219 | S | 61.7 | Low | 67.7 | Low | 80 Ų | 80 | 125 Ų | 125 | 56% | 0.559 | 68% | 0.678 | S | S | * | * | trans | -50.7 | 109.3 | 162.8 | -67.5 | 0 | 0 | 0 | 0 | 109.1 | F217 E221 | F217-S219 PolarHBondContact O-N 3.2Å; S219-E221 VanDerWaalsContact C-N 3.3Å; S219-E221 PolarHBondContact O-N 3.02Å | ||
| 220 | T | 54.9 | Low | 65.4 | Low | 124 Ų | 124 | 126.4 Ų | 126.4 | 76% | 0.761 | 69% | 0.691 | S | S | * | * | trans | -72.8 | 90 | 173.3 | 38.2 | 0 | 0 | 0 | 0 | 108.6 | Q218 V222 | Q218-T220 PolarHBondContact O-N 2.87Å; T220-V222 VanDerWaalsContact C-N 3.27Å; T220-V222 PolarHBondContact O-N 3.32Å | ||
| 221 | E | 53.1 | Low | 63.4 | Low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | -61.5 | 87.8 | 175.9 | -68.9 | -174 | -162.4 | 0 | 0 | 110.3 | S219 N223 | S219-E221 VanDerWaalsContact C-N 3.3Å; S219-E221 PolarHBondContact O-N 3.02Å; E221-N223 PolarHBondContact O-N 3.35Å | ||
| 222 | V | 51.3 | Low | 61.9 | Low | 125 Ų | 125 | 137.5 Ų | 137.5 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | trans | -65 | 104.2 | 173.7 | -78.2 | 0 | 0 | 0 | 0 | 108.7 | T220 S224 | T220-V222 VanDerWaalsContact C-N 3.27Å; T220-V222 PolarHBondContact O-N 3.32Å; V222-S224 PolarHBondContact O-N 2.87Å | ||
| 223 | N | 44.9 | Very low | 60.2 | Low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -46.1 | 110.6 | -177.3 | -98.1 | -96.6 | 0 | 0 | 0 | 111.9 | E221 T225 | E221-N223 PolarHBondContact O-N 3.35Å; N223-T225 PolarHBondContact O-N 2.75Å | ||
| 224 | S | 47.6 | Very low | 58.5 | Low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -73.3 | 25.3 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | V222 | V222-S224 PolarHBondContact O-N 2.87Š| ||
| 225 | T | 48.2 | Very low | 56.6 | Low | 113 Ų | 113 | 144.9 Ų | 144.9 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | trans | -102.4 | 38 | -166.8 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | N223 | N223-T225 PolarHBondContact O-N 2.75Š| ||
| 226 | Q | 48.7 | Very low | 54.8 | Low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 40.2 | 173.5 | -148.6 | 171.9 | 6.7 | 0 | 0 | 116 | ||||
| 227 | L | 47.1 | Very low | 53.2 | Low | 170 Ų | 170 | 150.1 Ų | 150.1 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 56.3 | 157.8 | -75 | -179.6 | 0 | 0 | 0 | 111.4 | ||||
| 228 | Q | 50.7 | Low | 51.6 | Low | 178 Ų | 178 | 153.4 Ų | 153.4 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -125.7 | 150.4 | 154.4 | -71.9 | -171.6 | -4.9 | 0 | 0 | 108.2 | ||||
| 229 | N | 49.1 | Very low | 50.5 | Low | 154 Ų | 154 | 151.8 Ų | 151.8 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | 69.3 | 133.9 | -154.9 | -43.3 | -38.8 | 0 | 0 | 0 | 111.5 | ||||
| 230 | T | 47 | Very low | 49.6 | Very low | 141 Ų | 141 | 157.8 Ų | 157.8 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | cis | -112.8 | 153.6 | 12.4 | -12.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 231 | F | 52.3 | Low | 49.1 | Very low | 276 Ų | 276 | 160.8 Ų | 160.8 | 100% | 1.211 | 85% | 0.846 | S | S | * | * | trans | -88 | 0 | 154 | -78.9 | -90.6 | 0 | 0 | 0 | 109.9 |
Retrieved 231 of 231 residues in 88.3 ms
(Link to these results)