| 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 | 49.5 | Very low | 80 | Confident | 239 Ų | 239 | 116 Ų | 116 | 100% | 1.177 | 57% | 0.573 | S | S | * | * | 0 | 109.6 | 0 | -75.2 | 168.5 | 169.9 | 0 | 0 | 107.9 | N3 | M1-N3 PolarHBondContact O-N 3.1Š| |||
| 2 | E | 56.7 | Low | 80.7 | Confident | 121 Ų | 121 | 116 Ų | 116 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | trans | -79.1 | 86.4 | -175 | -168.6 | 177.5 | -152.3 | 0 | 0 | 109.6 | R4 R6 | E2-R4 HydrophobicContact CG-CB 4.2Å; E2-R4 HydrophobicContact CG-CG 4.26Å; E2-R4 PolarHBondContact O-N 3.09Å; E2-R4 VanDerWaalsContact O-N 3.12Å; E2-R6 IonicContact OE2-NH2 2.91Å; E2-R6 PolarHBondContact OE2-NH2 3.3Å | ||
| 3 | N | 68.6 | Low | 81.4 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | trans | -84.5 | 38 | 177.3 | -155.3 | -3.7 | 0 | 0 | 0 | 111.7 | M1 T156 E158 | M1-N3 PolarHBondContact O-N 3.1Å; N3-T156 WeakPolarHBondContact OD1-CB 3.18Å; N3-T156 WeakPolarHBondContact OD1-CG2 3.37Å; N3-E158 PolarHBondContact OD1-OE2 3.14Å | ||
| 4 | R | 84.2 | Confident | 81.7 | Confident | 189 Ų | 189 | 106.3 Ų | 106.3 | 71% | 0.713 | 52% | 0.524 | S | S | * | . | trans | -86.1 | 128.6 | 177.8 | -74 | -173 | 177.7 | -146.2 | 0.9 | 108.9 | E2 R6 | E2-R4 HydrophobicContact CG-CB 4.2Å; E2-R4 HydrophobicContact CG-CG 4.26Å; E2-R4 PolarHBondContact O-N 3.09Å; E2-R4 VanDerWaalsContact O-N 3.12Å; R4-R6 PolarHBondContact O-N 3.22Å | ||
| 5 | P | 86.6 | Confident | 81.9 | Confident | 79 Ų | 79 | 103.1 Ų | 103.1 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | trans | -64 | 131.9 | 176.5 | 24.7 | -31.4 | 0 | 0 | 0 | 109.8 | C155 T156 | P5-C155 WeakPolarHBondContact CA-O 3.23Å; P5-T156 HydrophobicContact CB-CG2 4.27Å | ||
| 6 | R | 87.8 | Confident | 82.2 | Confident | 120 Ų | 120 | 100 Ų | 100 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -107.5 | 133.4 | 178.6 | -63.7 | -175.9 | -179.8 | -164.1 | -2.1 | 109.3 | E2 R4 L8 G154 C155 | E2-R6 IonicContact OE2-NH2 2.91Å; E2-R6 PolarHBondContact OE2-NH2 3.3Å; R4-R6 PolarHBondContact O-N 3.22Å; R6-L8 HydrophobicContact CB-CG 4.42Å; R6-L8 PolarHBondContact O-N 2.98Å; R6-G154 CarbonylContact O-C 3.6Å; R6-G154 VanDerWaalsContact O-CA 3.27Å; R6-G154 WeakPolarHBondContact O-CA 3.29Å; R6-C155 PolarHBondContact N-O 3.12Å; R6-C155 PolarHBondContact O-N 2.91Å |
| 7 | K | 93 | Very high | 82.4 | Confident | 143 Ų | 143 | 94.9 Ų | 94.9 | 62% | 0.622 | 48% | 0.475 | S | S | * | . | trans | -80.2 | 115.8 | 175 | -62.9 | -166.7 | -176.5 | -162.7 | 0 | 109.4 | C150 L152 | K7-C150 VanDerWaalsContact CA-O 3.32Å; K7-C150 WeakPolarHBondContact CA-O 3.5Å; K7-L152 VanDerWaalsContact CE-O 3.32Å; K7-L152 WeakPolarHBondContact CE-O 3.46Å; K7-L152 PolarHBondContact NZ-O 3.35Å | ||
| 8 | L | 89 | Confident | 82.4 | Confident | 26 Ų | 26 | 94.6 Ų | 94.6 | 14% | 0.136 | 47% | 0.473 | C | S | . | . | trans | -132.4 | 127.9 | -176.7 | -65.1 | 170.8 | 0 | 0 | 0 | 109 | R6 H12 L13 Q16 C150 C151 L160 | R6-L8 HydrophobicContact CB-CG 4.42Å; R6-L8 PolarHBondContact O-N 2.98Å; L8-H12 HydrophobicContact CD2-CB 4.25Å; L8-L13 HydrophobicContact CB-CB 3.95Å; L8-L13 HydrophobicContact CB-CD1 3.93Å; L8-L13 HydrophobicContact CD1-CD1 4.49Å; L8-Q16 HydrophobicContact CD1-CB 3.73Å; L8-Q16 HydrophobicContact CD1-CG 3.72Å; L8-C150 PolarHBondContact N-O 3.43Å; L8-C150 CarbonylContact O-C 3.27Å; L8-C150 VanDerWaalsContact O-C 3.27Å; L8-C151 WeakPolarHBondContact O-CA 3.36Å; L8-C151 PolarHBondContact O-N 3.33Å; L8-L160 HydrophobicContact CD1-CD1 3.91Å; L8-L160 HydrophobicContact CD1-CD2 4.35Å | ||
| 9 | C | 89.9 | Confident | 82.5 | Confident | 52 Ų | 52 | 96 Ų | 96 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | trans | -127.9 | 147.6 | -176.8 | -47.9 | 0 | 0 | 0 | 0 | 110.2 | K11 H12 L13 C151 | C9-K11 PolarHBondContact O-N 3.47Å; C9-H12 PolarHBondContact O-N 3.42Å; C9-H12 VanDerWaalsContact O-N 3.1Å; C9-L13 PolarHBondContact O-N 3.03Å; C9-C151 HydrophobicContact CB-CB 3.8Å; C9-C151 WeakPolarHBondContact CB-SG 3.44Å; C9-C151 WeakPolarHBondContact SG-CA 3.04Å; C9-C151 WeakPolarHBondContact SG-CB 3.05Å; C9-C151 CovalentContact SG-SG 2.03Å; C9-C151 PolarHBondContact SG-SG 3.37Å | ||
| 10 | G | 87.9 | Confident | 82.5 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | 48.1 | -121.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H12 L13 L14 | G10-H12 VanDerWaalsContact C-N 3.29Å; G10-H12 PolarHBondContact O-N 3.31Å; G10-L13 WeakPolarHBondContact O-CB 3.23Å; G10-L13 PolarHBondContact O-N 2.98Å; G10-L14 PolarHBondContact O-N 3.16Å; G10-L14 VanDerWaalsContact O-N 3.07Å |
| 11 | K | 86.5 | Confident | 82.4 | Confident | 154 Ų | 154 | 88.9 Ų | 88.9 | 67% | 0.67 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.6 | -32.9 | -177.7 | 68.5 | -179.4 | -178.3 | 179.9 | 0 | 114.6 | C9 S15 | C9-K11 PolarHBondContact O-N 3.47Å; K11-S15 VanDerWaalsContact O-CB 3.32Å; K11-S15 WeakPolarHBondContact O-CB 3.28Å; K11-S15 PolarHBondContact O-N 3.33Å; K11-S15 PolarHBondContact O-OG 2.96Å |
| 12 | H | 89.1 | Confident | 83.4 | Confident | 116 Ų | 116 | 80.7 Ų | 80.7 | 54% | 0.537 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.3 | -36.9 | -179.4 | -63 | 103.5 | 0 | 0 | 0 | 111.3 | L8 C9 G10 Q16 | L8-H12 HydrophobicContact CD2-CB 4.25Å; C9-H12 PolarHBondContact O-N 3.42Å; C9-H12 VanDerWaalsContact O-N 3.1Å; G10-H12 VanDerWaalsContact C-N 3.29Å; G10-H12 PolarHBondContact O-N 3.31Å; H12-Q16 WeakPolarHBondContact O-CB 3.47Å; H12-Q16 PolarHBondContact O-N 3.41Å |
| 13 | L | 89.5 | Confident | 83.7 | Confident | 9 Ų | 9 | 82.9 Ų | 82.9 | 5% | 0.047 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 171.7 | 177.8 | 63.6 | 0 | 0 | 0 | 110.3 | L8 C9 G10 S15 Q16 I17 F146 C150 L160 | L8-L13 HydrophobicContact CB-CB 3.95Å; L8-L13 HydrophobicContact CB-CD1 3.93Å; L8-L13 HydrophobicContact CD1-CD1 4.49Å; C9-L13 PolarHBondContact O-N 3.03Å; G10-L13 WeakPolarHBondContact O-CB 3.23Å; G10-L13 PolarHBondContact O-N 2.98Å; L13-S15 PolarHBondContact O-N 3.16Å; L13-Q16 PolarHBondContact O-N 3.33Å; L13-I17 HydrophobicContact CD1-CD1 3.96Å; L13-I17 HydrophobicContact CD1-CG1 4.35Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 3.02Å; L13-F146 HydrophobicContact CD1-CE1 4.39Å; L13-C150 HydrophobicContact CD1-CB 3.87Å; L13-C150 HydrophobicContact CD2-CB 4.31Å; L13-L160 HydrophobicContact CD1-CD2 3.4Å |
| 14 | L | 85.1 | Confident | 83.2 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 179.1 | -177.5 | 60.8 | 0 | 0 | 0 | 112 | G10 Q16 I17 I18 | G10-L14 PolarHBondContact O-N 3.16Å; G10-L14 VanDerWaalsContact O-N 3.07Å; L14-Q16 VanDerWaalsContact C-N 3.28Å; L14-Q16 PolarHBondContact O-N 3.09Å; L14-I17 PolarHBondContact O-N 3.26Å; L14-I18 HydrophobicContact CD1-CD1 4.09Å; L14-I18 HydrophobicContact CD1-CG1 4.33Å; L14-I18 HydrophobicContact CG-CD1 3.86Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 3.5Å |
| 15 | S | 85.3 | Confident | 81.8 | Confident | 58 Ų | 58 | 78 Ų | 78 | 41% | 0.406 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 177.9 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | K11 L13 K19 | K11-S15 VanDerWaalsContact O-CB 3.32Å; K11-S15 WeakPolarHBondContact O-CB 3.28Å; K11-S15 PolarHBondContact O-N 3.33Å; K11-S15 PolarHBondContact O-OG 2.96Å; L13-S15 PolarHBondContact O-N 3.16Å; S15-K19 WeakPolarHBondContact O-CB 3.32Å; S15-K19 VanDerWaalsContact O-CG 3.28Å; S15-K19 WeakPolarHBondContact O-CG 3.14Å; S15-K19 PolarHBondContact O-N 3.36Å |
| 16 | Q | 86.6 | Confident | 80.3 | Confident | 54 Ų | 54 | 77.3 Ų | 77.3 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -72.1 | -38.8 | 179 | -165.2 | 66.8 | 17.6 | 0 | 0 | 111.7 | L8 H12 L13 L14 K19 L20 L160 | L8-Q16 HydrophobicContact CD1-CB 3.73Å; L8-Q16 HydrophobicContact CD1-CG 3.72Å; H12-Q16 WeakPolarHBondContact O-CB 3.47Å; H12-Q16 PolarHBondContact O-N 3.41Å; L13-Q16 PolarHBondContact O-N 3.33Å; L14-Q16 VanDerWaalsContact C-N 3.28Å; L14-Q16 PolarHBondContact O-N 3.09Å; Q16-K19 PolarHBondContact O-N 3.34Å; Q16-L20 VanDerWaalsContact O-CB 3.25Å; Q16-L20 WeakPolarHBondContact O-CB 3.34Å; Q16-L20 PolarHBondContact O-N 3.34Å; Q16-L160 HydrophobicContact CG-CD1 4.27Å |
| 17 | I | 85.4 | Confident | 78.7 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 7% | 0.072 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 173.1 | -66.6 | 164.3 | 0 | 0 | 0 | 109.2 | L13 L14 K19 L20 C21 F146 L160 A163 Y167 | L13-I17 HydrophobicContact CD1-CD1 3.96Å; L13-I17 HydrophobicContact CD1-CG1 4.35Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.5Å; L13-I17 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 3.26Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 3.1Å; I17-L20 CarbonylContact O-C 3.58Å; I17-L20 PolarHBondContact O-N 3.12Å; I17-C21 VanDerWaalsContact CG2-SG 3.52Å; I17-C21 PolarHBondContact O-N 3.03Å; I17-C21 PolarHBondContact O-SG 3.26Å; I17-F146 HydrophobicContact CD1-CE1 4.07Å; I17-L160 HydrophobicContact CG1-CD2 4.11Å; I17-A163 HydrophobicContact CD1-CB 3.86Å; I17-A163 HydrophobicContact CG1-CB 4.14Å; I17-A163 HydrophobicContact CG2-CB 4.09Å; I17-Y167 HydrophobicContact CG2-CE2 4.22Å |
| 18 | I | 83 | Confident | 76.6 | Confident | 88 Ų | 88 | 78.4 Ų | 78.4 | 45% | 0.451 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.4 | -43 | 178.3 | -67.5 | 166.4 | 0 | 0 | 0 | 111.4 | L14 L20 G22 | L14-I18 HydrophobicContact CD1-CD1 4.09Å; L14-I18 HydrophobicContact CD1-CG1 4.33Å; L14-I18 HydrophobicContact CG-CD1 3.86Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 3.5Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 2.87Å; I18-G22 WeakPolarHBondContact O-CA 3.25Å; I18-G22 PolarHBondContact O-N 3.18Å |
| 19 | K | 84.5 | Confident | 74.7 | Confident | 122 Ų | 122 | 82 Ų | 82 | 53% | 0.53 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.4 | -75.8 | 175.2 | -178 | -176.7 | 0 | 111.9 | S15 Q16 I17 Q23 | S15-K19 WeakPolarHBondContact O-CB 3.32Å; S15-K19 VanDerWaalsContact O-CG 3.28Å; S15-K19 WeakPolarHBondContact O-CG 3.14Å; S15-K19 PolarHBondContact O-N 3.36Å; Q16-K19 PolarHBondContact O-N 3.34Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-K19 PolarHBondContact O-N 3.1Å; K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 WeakPolarHBondContact O-CG 3.4Å; K19-Q23 PolarHBondContact O-N 3.35Å |
| 20 | L | 82.7 | Confident | 72.7 | Confident | 28 Ų | 28 | 87.4 Ų | 87.4 | 15% | 0.147 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70.4 | -40.7 | -178.7 | -167.5 | 140.5 | 0 | 0 | 0 | 111.7 | Q16 I17 I18 T24 W26 K157 L160 A161 C164 | Q16-L20 VanDerWaalsContact O-CB 3.25Å; Q16-L20 WeakPolarHBondContact O-CB 3.34Å; Q16-L20 PolarHBondContact O-N 3.34Å; I17-L20 CarbonylContact O-C 3.58Å; I17-L20 PolarHBondContact O-N 3.12Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 2.87Å; L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 PolarHBondContact O-OG1 3.43Å; L20-W26 HydrophobicContact CD2-CH2 4Å; L20-W26 HydrophobicContact CD2-CZ2 4.23Å; L20-K157 HydrophobicContact CD1-CB 4.26Å; L20-L160 HydrophobicContact CD1-CB 4.29Å; L20-A161 HydrophobicContact CD2-CB 3.88Å; L20-C164 WeakPolarHBondContact CD2-SG 3.46Å |
| 21 | C | 80.4 | Confident | 70.6 | Confident | 14 Ų | 14 | 91.4 Ų | 91.4 | 10% | 0.095 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -82.3 | -29.2 | 179.2 | -34.9 | 0 | 0 | 0 | 0 | 114.8 | I17 W26 C164 Y167 | I17-C21 VanDerWaalsContact CG2-SG 3.52Å; I17-C21 PolarHBondContact O-N 3.03Å; I17-C21 PolarHBondContact O-SG 3.26Å; C21-W26 HydrophobicContact CB-CZ2 4.02Å; C21-W26 PolarHBondContact O-NE1 3.45Å; C21-C164 HydrophobicContact CB-CB 3.75Å; C21-C164 WeakPolarHBondContact CB-SG 3.46Å; C21-C164 WeakPolarHBondContact SG-CA 3.29Å; C21-C164 WeakPolarHBondContact SG-CB 3.25Å; C21-C164 CovalentContact SG-SG 2.02Å; C21-C164 PolarHBondContact SG-SG 2.66Å; C21-Y167 HydrophobicContact CB-CD2 4.39Å; C21-Y167 HydrophobicContact CB-CG 4.45Å |
| 22 | G | 70.3 | Confident | 68.2 | Low | 67 Ų | 67 | 90.2 Ų | 90.2 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -82 | -21.1 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | I18 | I18-G22 WeakPolarHBondContact O-CA 3.25Å; I18-G22 PolarHBondContact O-N 3.18Å |
| 23 | Q | 61.8 | Low | 65.9 | Low | 168 Ų | 168 | 93.4 Ų | 93.4 | 79% | 0.785 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -106.8 | -6.8 | -177.1 | -68.5 | -177 | -21.6 | 0 | 0 | 114.8 | K19 | K19-Q23 WeakPolarHBondContact O-CB 3.35Å; K19-Q23 WeakPolarHBondContact O-CG 3.4Å; K19-Q23 PolarHBondContact O-N 3.35Å |
| 24 | T | 57.6 | Low | 63.4 | Low | 48 Ų | 48 | 101.7 Ų | 101.7 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -105 | 129.8 | -171.3 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | L20 W26 F29 | L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 PolarHBondContact O-OG1 3.43Å; T24-W26 PolarHBondContact O-N 2.99Å; T24-W26 PolarHBondContact O-NE1 2.75Å; T24-F29 HydrophobicContact CG2-CD2 4.48Å; T24-F29 HydrophobicContact CG2-CE2 3.96Å |
| 25 | D | 54.9 | Low | 61.4 | Low | 133 Ų | 133 | 103 Ų | 103 | 71% | 0.711 | 54% | 0.535 | S | S | * | . | trans | -72.1 | 107.6 | 167.3 | -75.2 | -40 | 0 | 0 | 0 | 109.3 | T27 | D25-T27 PolarHBondContact O-N 3.26Å; D25-T27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | W | 55.3 | Low | 59.3 | Low | 65 Ų | 65 | 105.5 Ų | 105.5 | 25% | 0.246 | 55% | 0.553 | C | S | . | * | G | 310 helix | trans | -73 | -0 | -169.3 | -73.6 | 94 | 0 | 0 | 0 | 115.3 | L20 C21 T24 Q28 F29 A161 C164 V168 | L20-W26 HydrophobicContact CD2-CH2 4Å; L20-W26 HydrophobicContact CD2-CZ2 4.23Å; C21-W26 HydrophobicContact CB-CZ2 4.02Å; C21-W26 PolarHBondContact O-NE1 3.45Å; T24-W26 PolarHBondContact O-N 2.99Å; T24-W26 PolarHBondContact O-NE1 2.75Å; W26-Q28 PolarHBondContact O-N 2.87Å; W26-F29 HydrophobicContact CE3-CB 4.17Å; W26-F29 HydrophobicContact CE3-CD2 4.07Å; W26-F29 HydrophobicContact CE3-CG 4.42Å; W26-F29 HydrophobicContact CZ3-CB 4.27Å; W26-F29 AromaticContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CG 4.2Å; W26-F29 PolarHBondContact O-N 3.5Å; W26-A161 HydrophobicContact CH2-CB 4.15Å; W26-A161 HydrophobicContact CZ3-CB 4.45Å; W26-C164 HydrophobicContact CH2-CB 3.23Å; W26-C164 WeakPolarHBondContact CH2-SG 2.97Å; W26-C164 HydrophobicContact CZ2-CB 3.38Å; W26-C164 WeakPolarHBondContact CZ2-SG 3.4Å; W26-C164 HydrophobicContact CZ3-CB 3.86Å; W26-V168 HydrophobicContact CD2-CG2 4.26Å; W26-V168 HydrophobicContact CE3-CG2 4.48Å; W26-V168 HydrophobicContact CG-CG2 4.29Å |
| 27 | T | 54.5 | Low | 56.7 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 74% | 0.742 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -68.5 | -14.5 | 176.2 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | D25 | D25-T27 PolarHBondContact O-N 3.26Å; D25-T27 VanDerWaalsContact O-N 3.13Å |
| 28 | Q | 49.9 | Very low | 54.7 | Low | 166 Ų | 166 | 113.9 Ų | 113.9 | 78% | 0.776 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -86.2 | -16.5 | 178.6 | -169.8 | 172.9 | 2 | 0 | 0 | 113.5 | W26 | W26-Q28 PolarHBondContact O-N 2.87Š|
| 29 | F | 48.8 | Very low | 52.1 | Low | 100 Ų | 100 | 118.5 Ų | 118.5 | 44% | 0.439 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -106 | 23.9 | -179.5 | -67.6 | -83.2 | 0 | 0 | 0 | 112.6 | T24 W26 I31 | T24-F29 HydrophobicContact CG2-CD2 4.48Å; T24-F29 HydrophobicContact CG2-CE2 3.96Å; W26-F29 HydrophobicContact CE3-CB 4.17Å; W26-F29 HydrophobicContact CE3-CD2 4.07Å; W26-F29 HydrophobicContact CE3-CG 4.42Å; W26-F29 HydrophobicContact CZ3-CB 4.27Å; W26-F29 AromaticContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CD2 3.95Å; W26-F29 HydrophobicContact CZ3-CG 4.2Å; W26-F29 PolarHBondContact O-N 3.5Å; F29-I31 PolarHBondContact O-N 3.07Å |
| 30 | E | 46.6 | Very low | 49.9 | Very low | 167 Ų | 167 | 118.9 Ų | 118.9 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | trans | -57.6 | 92.6 | 157.1 | -94.1 | -179.1 | 165.5 | 0 | 0 | 107 | D32 | E30-D32 PolarHBondContact O-N 3.32Š| ||
| 31 | I | 45 | Very low | 47.5 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | trans | -59.5 | 110.3 | 165.7 | -74.1 | 166.9 | 0 | 0 | 0 | 104.1 | F29 E33 | F29-I31 PolarHBondContact O-N 3.07Å; I31-E33 HydrophobicContact CG2-CG 4.13Å; I31-E33 PolarHBondContact O-N 2.91Å | ||
| 32 | D | 36.1 | Very low | 45.3 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | trans | -58.7 | 77.5 | 170.6 | -101.4 | -32.6 | 0 | 0 | 0 | 109.6 | E30 Q34 | E30-D32 PolarHBondContact O-N 3.32Å; D32-Q34 PolarHBondContact O-N 3.41Å; D32-Q34 VanDerWaalsContact O-N 3.14Å | ||
| 33 | E | 40 | Very low | 43.6 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 14 | 166.4 | -92.5 | -164.2 | 154.5 | 0 | 0 | 112 | I31 | I31-E33 HydrophobicContact CG2-CG 4.13Å; I31-E33 PolarHBondContact O-N 2.91Å |
| 34 | Q | 37.3 | Very low | 42.1 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 9.6 | 178.6 | -79.2 | 179.8 | 16.6 | 0 | 0 | 115.2 | D32 | D32-Q34 PolarHBondContact O-N 3.41Å; D32-Q34 VanDerWaalsContact O-N 3.14Å |
| 35 | T | 43.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -104.7 | 57.8 | 174.6 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 36 | S | 40.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 178.3 | 77.4 | 148.8 | 61 | 0 | 0 | 0 | 0 | 112.2 | ||
| 37 | L | 32.1 | Very low | 39.6 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -155.4 | 112.2 | 143.8 | -150.8 | 70 | 0 | 0 | 0 | 108.9 | H39 | L37-H39 PolarHBondContact O-N 3.03Š|
| 38 | G | 43 | Very low | 39 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -56.2 | 120.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I40 | G38-I40 PolarHBondContact O-N 2.78Š| ||
| 39 | H | 29.9 | Very low | 38.3 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -84.9 | 105.3 | 165.6 | -129.7 | -74 | 0 | 0 | 0 | 108.3 | L37 P41 | L37-H39 PolarHBondContact O-N 3.03Å; H39-P41 WeakPolarHBondContact O-CD 3.01Å | ||
| 40 | I | 37.2 | Very low | 37.5 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | trans | -62.4 | 124.3 | 167.2 | -60.5 | 173.4 | 0 | 0 | 0 | 107.4 | G38 H42 | G38-I40 PolarHBondContact O-N 2.78Å; I40-H42 PolarHBondContact O-N 2.77Å | ||
| 41 | P | 33.1 | Very low | 36.9 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -88.4 | 102.5 | 174.2 | 31.3 | -26.7 | 0 | 0 | 0 | 109.5 | H39 | H39-P41 WeakPolarHBondContact O-CD 3.01Š| ||
| 42 | H | 34 | Very low | 36.5 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -92.5 | 101 | 158.1 | -89.7 | -78.6 | 0 | 0 | 0 | 108.8 | I40 | I40-H42 PolarHBondContact O-N 2.77Š| ||
| 43 | Q | 34.3 | Very low | 36.9 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -136.1 | 120.6 | 153.5 | -77.3 | -164.9 | -0.9 | 0 | 0 | 109.8 | ||||
| 44 | S | 31.1 | Very low | 36.5 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -98.1 | 122.9 | -178.2 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 45 | S | 35.6 | Very low | 36.3 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | 60.1 | 128.8 | 139.4 | 84.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 46 | H | 30.6 | Very low | 35.9 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | cis | -168.7 | 172 | 32.8 | -100.7 | -54.7 | 0 | 0 | 0 | 111.3 | ||||
| 47 | P | 48.4 | Very low | 35.9 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -104.1 | -178.9 | -162.9 | 45.6 | -38 | 0 | 0 | 0 | 113.7 | ||||
| 48 | P | 42 | Very low | 35.8 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | -145.3 | 164.8 | 80.3 | 33.6 | -12.2 | 0 | 0 | 0 | 117 | |||||
| 49 | K | 34.8 | Very low | 35.2 | Very low | 191 Ų | 191 | 142 Ų | 142 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -51.7 | 148.7 | 177.6 | -58.3 | 156.8 | 178.7 | 176.1 | 0 | 115.1 | ||||
| 50 | T | 32.5 | Very low | 35.5 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | -170.7 | 114.6 | 122.1 | 10.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 51 | L | 33.2 | Very low | 35.3 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 60.8 | 110.5 | 134.1 | -54 | 169.6 | 0 | 0 | 0 | 121.5 | ||||
| 52 | K | 37.8 | Very low | 35.4 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -65.1 | 163.5 | 149.7 | -111.2 | -171.7 | -179.2 | -171 | 0 | 109.9 | ||||
| 53 | P | 43.1 | Very low | 35.3 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | -158.8 | 162.9 | 65.9 | 40.6 | -18.1 | 0 | 0 | 0 | 119.6 | |||||
| 54 | E | 33.2 | Very low | 35.4 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | 64.6 | 154.4 | 139.5 | -74.1 | 177.8 | 124.6 | 0 | 0 | 120.1 | ||||
| 55 | Q | 32 | Very low | 35.4 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | cis | -162.7 | 145.3 | 3.8 | -111.5 | 162.1 | 43.4 | 0 | 0 | 106.2 | ||||
| 56 | I | 35.8 | Very low | 35.5 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -76.7 | 154.2 | 164.5 | -52.1 | 162.2 | 0 | 0 | 0 | 105.6 | ||||
| 57 | P | 39.7 | Very low | 35.9 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | cis | -162.5 | 168.6 | 49.5 | 47.2 | -23.9 | 0 | 0 | 0 | 121.6 | ||||
| 58 | S | 31 | Very low | 35.6 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 77.4 | 131.6 | 135.8 | -143.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 59 | S | 30 | Very low | 35.2 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 93.2 | 108.5 | 134.4 | 73.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 60 | S | 35.9 | Very low | 36 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 49.6 | 113.5 | 130 | 66.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 61 | A | 33.4 | Very low | 36.1 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -159.8 | 107.9 | 132.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R63 | A61-R63 PolarHBondContact O-N 3.29Š| ||
| 62 | W | 35.7 | Very low | 36.2 | Very low | 253 Ų | 253 | 143.3 Ų | 143.3 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | trans | -51.3 | 118 | 153.9 | -124 | -36.4 | 0 | 0 | 0 | 108.8 | ||||
| 63 | R | 31.5 | Very low | 36.2 | Very low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -151.6 | 109.9 | 151.6 | -148 | 177.5 | -94 | -163.1 | -3.4 | 110.6 | A61 | A61-R63 PolarHBondContact O-N 3.29Š| ||
| 64 | K | 36.3 | Very low | 36.2 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -54.8 | 139.5 | 170 | -67.6 | 172.3 | 176.4 | 178 | 0 | 110 | ||||
| 65 | F | 30.4 | Very low | 36.4 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -146.9 | 139.3 | 140 | -135.5 | -98.2 | 0 | 0 | 0 | 110.4 | ||||
| 66 | T | 39.3 | Very low | 36.7 | Very low | 96 Ų | 96 | 143 Ų | 143 | 59% | 0.589 | 79% | 0.794 | S | S | * | * | trans | -60.9 | 142.6 | -175.5 | 37 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 67 | H | 37.9 | Very low | 37.1 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 172.8 | 136.6 | 116.5 | -78.7 | -55.5 | 0 | 0 | 0 | 109.9 | |||||
| 68 | P | 43 | Very low | 37 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -83.7 | 136.5 | -179.8 | 32.8 | -30.2 | 0 | 0 | 0 | 111.2 | ||||
| 69 | V | 33.5 | Very low | 37.6 | Very low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -112.4 | 137.3 | 171.3 | 172.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 70 | P | 50.7 | Low | 38 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -92 | 137 | -167.9 | 35.5 | -30.9 | 0 | 0 | 0 | 111.9 | ||||
| 71 | A | 35.5 | Very low | 38.5 | Very low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -167.1 | 119.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 72 | S | 35.2 | Very low | 38.8 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 164.9 | 112.4 | 118.6 | 50.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 73 | T | 38.2 | Very low | 38.9 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 49.4 | 102.6 | 134.1 | 56.8 | 0 | 0 | 0 | 0 | 118.3 | Q75 | T73-Q75 PolarHBondContact O-N 2.63Š| ||
| 74 | S | 42.5 | Very low | 39.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -53.3 | 112.2 | 150.3 | 167 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 75 | Q | 37.8 | Very low | 39.9 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -91.4 | 114.2 | 160.1 | -80.9 | -169.7 | -20.1 | 0 | 0 | 108.6 | T73 | T73-Q75 PolarHBondContact O-N 2.63Š| ||
| 76 | E | 38 | Very low | 40.7 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -63.2 | 130.6 | 167.9 | -169.7 | 166.2 | 130 | 0 | 0 | 109.7 | V78 | E76-V78 PolarHBondContact O-N 2.02Å; E76-V78 VanDerWaalsContact O-N 3.14Å | ||
| 77 | K | 43.9 | Very low | 41.2 | Very low | 174 Ų | 174 | 136 Ų | 136 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -70.6 | 98.4 | -179.4 | -177.3 | -168.8 | -175.6 | -164.1 | 0 | 109.6 | I79 | K77-I79 HydrophobicContact CD-CD1 4.24Å; K77-I79 HydrophobicContact CD-CG1 4.13Å; K77-I79 HydrophobicContact CG-CG1 3.95Å | ||
| 78 | V | 37.9 | Very low | 41.3 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -88.6 | 107.7 | 165.2 | -167.8 | 0 | 0 | 0 | 0 | 108.2 | E76 N80 | E76-V78 PolarHBondContact O-N 2.02Å; E76-V78 VanDerWaalsContact O-N 3.14Å; V78-N80 WeakPolarHBondContact CG1-OD1 3.21Å; V78-N80 PolarHBondContact O-N 3.13Å | ||
| 79 | I | 42.3 | Very low | 41 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | -81.1 | 100 | 174.5 | -52 | 171.3 | 0 | 0 | 0 | 106.2 | K77 T81 | K77-I79 HydrophobicContact CD-CD1 4.24Å; K77-I79 HydrophobicContact CD-CG1 4.13Å; K77-I79 HydrophobicContact CG-CG1 3.95Å; I79-T81 VanDerWaalsContact C-N 3.32Å; I79-T81 PolarHBondContact O-N 3.25Å; I79-T81 VanDerWaalsContact O-N 3.09Å | ||
| 80 | N | 38.6 | Very low | 41.1 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -83 | 86.3 | 172.6 | -58 | 4.4 | 0 | 0 | 0 | 107.7 | V78 W82 | V78-N80 WeakPolarHBondContact CG1-OD1 3.21Å; V78-N80 PolarHBondContact O-N 3.13Å; N80-W82 VanDerWaalsContact C-N 3.3Å; N80-W82 PolarHBondContact O-N 3.1Å | ||
| 81 | T | 47.8 | Very low | 40.4 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -66.4 | 91.6 | 164.3 | -46.2 | 0 | 0 | 0 | 0 | 107.3 | I79 E83 | I79-T81 VanDerWaalsContact C-N 3.32Å; I79-T81 PolarHBondContact O-N 3.25Å; I79-T81 VanDerWaalsContact O-N 3.09Å; T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 3.34Å; T81-E83 VanDerWaalsContact O-N 3.1Å | ||
| 82 | W | 39.5 | Very low | 40.5 | Very low | 218 Ų | 218 | 143 Ų | 143 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -80.2 | 89.9 | 169.4 | -169 | -103 | 0 | 0 | 0 | 108 | N80 G84 | N80-W82 VanDerWaalsContact C-N 3.3Å; N80-W82 PolarHBondContact O-N 3.1Å; W82-G84 PolarHBondContact O-N 3.27Å | ||
| 83 | E | 38 | Very low | 40.5 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -53.3 | 123.1 | 168.1 | -159.1 | 163.7 | -151.2 | 0 | 0 | 108.7 | T81 Q85 | T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 3.34Å; T81-E83 VanDerWaalsContact O-N 3.1Å; E83-Q85 PolarHBondContact O-N 2.9Å | ||
| 84 | G | 45.1 | Very low | 40.6 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | -61.3 | 106.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W82 | W82-G84 PolarHBondContact O-N 3.27Š| ||
| 85 | Q | 41.9 | Very low | 40.3 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 129.2 | 163.8 | -91.6 | -83.8 | -74.9 | 0 | 0 | 108.9 | E83 | E83-Q85 PolarHBondContact O-N 2.9Š|
| 86 | P | 47.5 | Very low | 40.3 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 148.6 | -172 | 26.4 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 87 | V | 49.7 | Very low | 40.3 | Very low | 131 Ų | 131 | 141 Ų | 141 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 129.2 | 170.8 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | D89 | V87-D89 PolarHBondContact O-N 3.04Å; V87-D89 VanDerWaalsContact O-N 3.16Å |
| 88 | P | 41.1 | Very low | 40.4 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 121.4 | 176.5 | 23.9 | -30.8 | 0 | 0 | 0 | 109.1 | Y90 | P88-Y90 PolarHBondContact O-N 3.17Š|
| 89 | D | 35.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -72.6 | 94.6 | 177.9 | -165.3 | 14.1 | 0 | 0 | 0 | 108.8 | V87 Q91 | V87-D89 PolarHBondContact O-N 3.04Å; V87-D89 VanDerWaalsContact O-N 3.16Å; D89-Q91 PolarHBondContact O-N 3.24Å | ||
| 90 | Y | 37.5 | Very low | 40.2 | Very low | 206 Ų | 206 | 141.1 Ų | 141.1 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -84.1 | 97.8 | 177 | -141.6 | -89.5 | 0 | 0 | 0 | 107.8 | P88 F92 | P88-Y90 PolarHBondContact O-N 3.17Å; Y90-F92 PolarHBondContact O-N 3.35Å | ||
| 91 | Q | 35.5 | Very low | 40.4 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -71.1 | 103.2 | 171.9 | -67.3 | -142.5 | 9.4 | 0 | 0 | 109.6 | D89 E93 | D89-Q91 PolarHBondContact O-N 3.24Å; Q91-E93 PolarHBondContact O-N 3.07Å | ||
| 92 | F | 37.6 | Very low | 39.7 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -81.8 | 103.2 | 170.1 | -177.7 | -105.5 | 0 | 0 | 0 | 108.5 | Y90 N94 | Y90-F92 PolarHBondContact O-N 3.35Å; F92-N94 HydrophobicContact CD1-CB 3.9Å; F92-N94 HydrophobicContact CE1-CB 3.88Å; F92-N94 VanDerWaalsContact CE1-OD1 3.23Å; F92-N94 WeakPolarHBondContact CE1-OD1 3.32Å; F92-N94 PolarHBondContact O-N 3.22Å; F92-N94 VanDerWaalsContact O-N 3.09Å | ||
| 93 | E | 34.6 | Very low | 39.8 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -73 | 101 | 173.5 | -160 | 173.6 | -165.8 | 0 | 0 | 109.1 | Q91 T95 | Q91-E93 PolarHBondContact O-N 3.07Å; E93-T95 PolarHBondContact O-N 3.41Å | ||
| 94 | N | 40.9 | Very low | 39.5 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | -92 | 83.6 | -177 | -156.4 | 28.2 | 0 | 0 | 0 | 109.6 | F92 N96 | F92-N94 HydrophobicContact CD1-CB 3.9Å; F92-N94 HydrophobicContact CE1-CB 3.88Å; F92-N94 VanDerWaalsContact CE1-OD1 3.23Å; F92-N94 WeakPolarHBondContact CE1-OD1 3.32Å; F92-N94 PolarHBondContact O-N 3.22Å; F92-N94 VanDerWaalsContact O-N 3.09Å; N94-N96 PolarHBondContact O-N 2.94Å | ||
| 95 | T | 34.7 | Very low | 39.4 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | -87.7 | 109.2 | 172.2 | 17 | 0 | 0 | 0 | 0 | 111.9 | E93 | E93-T95 PolarHBondContact O-N 3.41Š| ||
| 96 | N | 39 | Very low | 38.8 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 94.5 | 77.4 | 151.8 | -50.8 | -47.5 | 0 | 0 | 0 | 118.1 | N94 | N94-N96 PolarHBondContact O-N 2.94Š| ||
| 97 | V | 37.2 | Very low | 38.4 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 20 | 110.5 | 115 | -173.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 98 | V | 47.2 | Very low | 37.9 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -71.2 | 138.1 | 152.2 | 170.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 99 | P | 41 | Very low | 37.4 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -120.9 | 117.5 | 144.9 | 23.1 | -5.9 | 0 | 0 | 0 | 111.6 | ||||
| 100 | E | 33.7 | Very low | 37.6 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -26.7 | 129.8 | 150 | -165.1 | 171.1 | -174.3 | 0 | 0 | 115.6 | ||||
| 101 | N | 44.1 | Very low | 37.5 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 33.9 | 108.3 | 145.1 | -50 | -21.4 | 0 | 0 | 0 | 119.1 | ||||
| 102 | T | 32.8 | Very low | 38.2 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -150.8 | 123.3 | 142.7 | -17.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 103 | R | 41.5 | Very low | 37.9 | Very low | 212 Ų | 212 | 146.4 Ų | 146.4 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -72.3 | 135.3 | 172.5 | -178.6 | -171 | -163.2 | -177.8 | 5 | 110.7 | ||||
| 104 | K | 32 | Very low | 38.7 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 164.4 | 153.5 | 131.7 | -87.4 | 165.2 | -173.7 | -175.5 | 0 | 113 | ||||
| 105 | F | 41.8 | Very low | 38.3 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 159.7 | -160.4 | -58.3 | -99 | 0 | 0 | 0 | 115.8 | ||||
| 106 | S | 31.1 | Very low | 39 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -174.3 | 113 | 150.9 | -149 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 107 | S | 39.2 | Very low | 39.3 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | 100.8 | 106.9 | 63.9 | 72.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 108 | H | 37.3 | Very low | 39.4 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 37.5 | 123.9 | 148.6 | -61.1 | -74.1 | 0 | 0 | 0 | 124.1 | ||||
| 109 | D | 31.1 | Very low | 39.5 | Very low | 159 Ų | 159 | 146.7 Ų | 146.7 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | 179.1 | 108.7 | 115.4 | -105.9 | -22.2 | 0 | 0 | 0 | 109.1 | |||||
| 110 | A | 40.5 | Very low | 39.6 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | 93.9 | 101.3 | 72.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 111 | N | 35.1 | Very low | 40.4 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -165.9 | 138.1 | 130.7 | -161.6 | 18.4 | 0 | 0 | 0 | 111 | ||||
| 112 | P | 50 | Low | 40.4 | Very low | 105 Ų | 105 | 153.9 Ų | 153.9 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | trans | -112 | 145.4 | -169.7 | 35 | -19.4 | 0 | 0 | 0 | 116.3 | ||||
| 113 | Y | 31.8 | Very low | 41.4 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 71.6 | 165.9 | 146.1 | -120.1 | -118.5 | 0 | 0 | 0 | 120.3 | ||||
| 114 | P | 51.8 | Low | 41.5 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -121.3 | 164 | -16 | 2.9 | 22.2 | 0 | 0 | 0 | 114 | ||||
| 115 | G | 30.8 | Very low | 42.7 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 174.2 | 77 | 159.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V117 | G115-V117 PolarHBondContact O-N 3.43Å; G115-V117 VanDerWaalsContact O-N 3.17Å | ||
| 116 | V | 49.4 | Very low | 43.1 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 111.2 | 170.1 | 178 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 117 | V | 45.8 | Very low | 44.3 | Very low | 135 Ų | 135 | 146 Ų | 146 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -122.7 | 114.2 | 162.7 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | G115 L119 | G115-V117 PolarHBondContact O-N 3.43Å; G115-V117 VanDerWaalsContact O-N 3.17Å; V117-L119 PolarHBondContact O-N 3.31Å | ||
| 118 | K | 40 | Very low | 45.1 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | trans | -51.9 | 122.5 | -177.4 | -71.1 | 168.6 | 175.5 | 174.4 | 0 | 111.5 | Q120 | K118-Q120 PolarHBondContact O-N 2.93Š| ||
| 119 | L | 49.2 | Very low | 46 | Very low | 177 Ų | 177 | 144.8 Ų | 144.8 | 93% | 0.927 | 78% | 0.781 | S | S | * | * | trans | -67.7 | 98.6 | 164 | -159.6 | 81.1 | 0 | 0 | 0 | 108.2 | V117 K121 | V117-L119 PolarHBondContact O-N 3.31Å; L119-K121 PolarHBondContact O-N 3.14Å | ||
| 120 | Q | 42.5 | Very low | 47.2 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 110.5 | 170.2 | -91.3 | -158.7 | 2 | 0 | 0 | 109.5 | K118 K122 | K118-Q120 PolarHBondContact O-N 2.93Å; Q120-K122 PolarHBondContact O-N 3.37Å; Q120-K122 VanDerWaalsContact O-N 3.11Å | ||
| 121 | K | 50.7 | Low | 47.7 | Very low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -64.7 | 100.5 | 163.9 | -172 | 178 | -176.6 | -180 | 0 | 108.4 | L119 | L119-K121 PolarHBondContact O-N 3.14Š| ||
| 122 | K | 43.4 | Very low | 48.6 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -100.7 | 98.2 | 168.8 | -157 | 171 | -174.8 | -178.5 | 0 | 108.6 | Q120 | Q120-K122 PolarHBondContact O-N 3.37Å; Q120-K122 VanDerWaalsContact O-N 3.11Å | ||
| 123 | S | 55.1 | Low | 48.8 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 126.4 | 165.6 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 124 | T | 43.3 | Very low | 49.6 | Very low | 108 Ų | 108 | 144 Ų | 144 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | trans | -142.3 | 91.1 | 156 | -58.3 | 0 | 0 | 0 | 0 | 106.6 | K126 | T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 HydrophobicContact CG2-CB 4.15Å; T124-K126 PolarHBondContact O-N 3.17Å | ||
| 125 | D | 56.3 | Low | 49.3 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -59.5 | 97.4 | 158.6 | -66.4 | -53.9 | 0 | 0 | 0 | 107.7 | ||||
| 126 | K | 51.5 | Low | 49.8 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -140.9 | 72.2 | 163.1 | -153.4 | 176.8 | -176.4 | -176.3 | 0 | 109.1 | T124 N128 | T124-K126 VanDerWaalsContact C-N 3.29Å; T124-K126 HydrophobicContact CG2-CB 4.15Å; T124-K126 PolarHBondContact O-N 3.17Å; K126-N128 PolarHBondContact O-N 2.92Å | ||
| 127 | I | 55.8 | Low | 49.8 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 19.2 | 90 | 144.5 | -17.9 | 175.2 | 0 | 0 | 0 | 113.3 | T129 | I127-T129 PolarHBondContact O-N 3.47Š| ||
| 128 | N | 55.5 | Low | 50 | Low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -55.6 | 128.7 | 150.2 | -64 | -44.4 | 0 | 0 | 0 | 107 | K126 | K126-N128 PolarHBondContact O-N 2.92Š| ||
| 129 | T | 56.2 | Low | 50.8 | Low | 102 Ų | 102 | 145.9 Ų | 145.9 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | trans | 154.1 | 89.2 | 145.2 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | I127 | I127-T129 PolarHBondContact O-N 3.47Š| ||
| 130 | H | 55.7 | Low | 50.8 | Low | 175 Ų | 175 | 143.8 Ų | 143.8 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -134.5 | 22.5 | 153.1 | -45.1 | -59.7 | 0 | 0 | 0 | 112.4 | S132 | H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 3.22Å | ||
| 131 | S | 51 | Low | 51.1 | Low | 120 Ų | 120 | 144.9 Ų | 144.9 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 25.8 | 176.7 | 59 | 0 | 0 | 0 | 0 | 113.6 | ||
| 132 | S | 54.1 | Low | 51.2 | Low | 94 Ų | 94 | 141.8 Ų | 141.8 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 0.2 | -179.3 | 62.3 | 0 | 0 | 0 | 0 | 115.2 | H130 | H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 3.22Å |
| 133 | L | 53.9 | Low | 51.6 | Low | 143 Ų | 143 | 140.3 Ų | 140.3 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -2.8 | -169.4 | -73.7 | 169.3 | 0 | 0 | 0 | 116.3 | ||
| 134 | F | 49.3 | Very low | 51.6 | Low | 175 Ų | 175 | 146.1 Ų | 146.1 | 77% | 0.768 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 51.5 | 176.4 | -62.7 | -76.3 | 0 | 0 | 0 | 112.8 | R136 | F134-R136 PolarHBondContact O-N 2.73Š|
| 135 | G | 45.9 | Very low | 53 | Low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | trans | -72.1 | 44.9 | 159 | 0 | 0 | 0 | 0 | 0 | 112.3 | K137 | G135-K137 PolarHBondContact O-N 2.71Š| ||
| 136 | R | 42 | Very low | 54.3 | Low | 209 Ų | 209 | 136.8 Ų | 136.8 | 79% | 0.789 | 68% | 0.677 | S | S | * | * | trans | -61.8 | 124.3 | 170.8 | -82.6 | -170.2 | 176.6 | -160.5 | -0 | 107.4 | F134 H138 | F134-R136 PolarHBondContact O-N 2.73Å; R136-H138 PolarHBondContact O-N 3.04Å | ||
| 137 | K | 48.6 | Very low | 56 | Low | 194 Ų | 194 | 131 Ų | 131 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | trans | -64.4 | 79.6 | 172.6 | -62.4 | -172.9 | 179.9 | -173.4 | 0 | 109 | G135 P139 | G135-K137 PolarHBondContact O-N 2.71Å; K137-P139 WeakPolarHBondContact O-CD 3.44Å | ||
| 138 | H | 51 | Low | 57.5 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 51% | 0.509 | 64% | 0.644 | S | S | . | * | trans | -80 | 120.2 | 170.6 | -149.7 | -81.7 | 0 | 0 | 0 | 106.6 | R136 Q140 R141 | R136-H138 PolarHBondContact O-N 3.04Å; H138-Q140 PolarHBondContact CE1-OE1 3.24Å; H138-Q140 WeakPolarHBondContact ND1-CB 3.29Å; H138-Q140 PolarHBondContact O-N 3.14Å; H138-R141 PolarHBondContact O-N 3.42Å | ||
| 139 | P | 55.2 | Low | 59.1 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 57% | 0.571 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -56.4 | -25.5 | -179.6 | 18.3 | -29.3 | 0 | 0 | 0 | 112.3 | K137 R141 E142 Q143 | K137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-R141 VanDerWaalsContact C-N 3.3Å; P139-R141 PolarHBondContact O-N 3.4Å; P139-E142 WeakPolarHBondContact O-CB 3.39Å; P139-E142 PolarHBondContact O-N 3.38Å; P139-Q143 PolarHBondContact O-N 3.26Å; P139-Q143 VanDerWaalsContact O-N 3.11Å |
| 140 | Q | 49.6 | Very low | 60.7 | Low | 133 Ų | 133 | 120 Ų | 120 | 62% | 0.621 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.1 | -25.4 | 173.5 | -155.1 | 172.8 | 21.4 | 0 | 0 | 114.4 | H138 | H138-Q140 PolarHBondContact CE1-OE1 3.24Å; H138-Q140 WeakPolarHBondContact ND1-CB 3.29Å; H138-Q140 PolarHBondContact O-N 3.14Å |
| 141 | R | 48.4 | Very low | 62.4 | Low | 198 Ų | 198 | 113.7 Ų | 113.7 | 75% | 0.747 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -84.8 | -21.7 | 174.7 | -151.2 | 179.8 | -170.7 | -163.9 | 2.9 | 112 | H138 P139 | H138-R141 PolarHBondContact O-N 3.42Å; P139-R141 VanDerWaalsContact C-N 3.3Å; P139-R141 PolarHBondContact O-N 3.4Å |
| 142 | E | 53.5 | Low | 64.1 | Low | 142 Ų | 142 | 113.9 Ų | 113.9 | 66% | 0.664 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.5 | -37.1 | 168.3 | -76.3 | 178.4 | 151.9 | 0 | 0 | 111.7 | P139 R144 G145 | P139-E142 WeakPolarHBondContact O-CB 3.39Å; P139-E142 PolarHBondContact O-N 3.38Å; E142-R144 VanDerWaalsContact C-N 3.3Å; E142-R144 PolarHBondContact O-N 3.46Å; E142-G145 PolarHBondContact O-N 3.37Å |
| 143 | Q | 52 | Low | 65.9 | Low | 150 Ų | 150 | 117.3 Ų | 117.3 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -27.2 | 176.8 | -83.1 | -173.5 | -5.5 | 0 | 0 | 114.2 | P139 G145 F146 | P139-Q143 PolarHBondContact O-N 3.26Å; P139-Q143 VanDerWaalsContact O-N 3.11Å; Q143-G145 PolarHBondContact O-N 3.28Å; Q143-F146 PolarHBondContact O-N 3.37Å; Q143-F146 VanDerWaalsContact O-N 3.17Å |
| 144 | R | 55.9 | Low | 67.6 | Low | 218 Ų | 218 | 110.7 Ų | 110.7 | 82% | 0.823 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -9 | 176.5 | -101.5 | -174 | -162.3 | -122.3 | 1.6 | 114.3 | E142 | E142-R144 VanDerWaalsContact C-N 3.3Å; E142-R144 PolarHBondContact O-N 3.46Å |
| 145 | G | 72.8 | Confident | 69.6 | Low | 23 Ų | 23 | 102.4 Ų | 102.4 | 24% | 0.237 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 21.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E142 Q143 D148 K149 | E142-G145 PolarHBondContact O-N 3.37Å; Q143-G145 PolarHBondContact O-N 3.28Å; G145-D148 PolarHBondContact O-N 3.48Å; G145-K149 WeakPolarHBondContact O-CA 3.38Å; G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 2.96Å |
| 146 | F | 83.1 | Confident | 71.7 | Confident | 49 Ų | 49 | 100.6 Ų | 100.6 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 178.2 | 177.5 | -98.9 | 0 | 0 | 0 | 111.2 | L13 I17 Q143 D148 K149 C150 E159 L160 A163 | L13-F146 HydrophobicContact CD1-CE1 4.39Å; I17-F146 HydrophobicContact CD1-CE1 4.07Å; Q143-F146 PolarHBondContact O-N 3.37Å; Q143-F146 VanDerWaalsContact O-N 3.17Å; F146-D148 VanDerWaalsContact C-N 3.34Å; F146-D148 PolarHBondContact O-N 3.32Å; F146-K149 PolarHBondContact O-N 2.03Å; F146-C150 PolarHBondContact O-N 2.98Å; F146-C150 PolarHBondContact O-SG 3.41Å; F146-E159 VanDerWaalsContact CE2-O 3.29Å; F146-E159 WeakPolarHBondContact CE2-O 3Å; F146-L160 HydrophobicContact CZ-CD2 4.23Å; F146-A163 HydrophobicContact CD1-CB 4.46Å; F146-A163 HydrophobicContact CE1-CB 3.7Å; F146-A163 HydrophobicContact CZ-CB 3.85Å |
| 147 | S | 86.1 | Confident | 73.8 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | C150 C151 | S147-C150 PolarHBondContact O-N 3.48Å; S147-C151 VanDerWaalsContact O-CB 3.25Å; S147-C151 WeakPolarHBondContact O-CB 3.49Å; S147-C151 PolarHBondContact O-N 2.93Å |
| 148 | D | 88.4 | Confident | 75.5 | Confident | 91 Ų | 91 | 91.8 Ų | 91.8 | 49% | 0.487 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.7 | -35.7 | -175.4 | -62.3 | -7.9 | 0 | 0 | 0 | 111.3 | G145 F146 C151 L152 | G145-D148 PolarHBondContact O-N 3.48Å; F146-D148 VanDerWaalsContact C-N 3.34Å; F146-D148 PolarHBondContact O-N 3.32Å; D148-C151 PolarHBondContact O-N 3.35Å; D148-L152 VanDerWaalsContact O-CB 3.29Å; D148-L152 WeakPolarHBondContact O-CB 3.25Å; D148-L152 VanDerWaalsContact O-CG 3.26Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.11Å |
| 149 | K | 88.6 | Confident | 77.2 | Confident | 87 Ų | 87 | 89.5 Ų | 89.5 | 38% | 0.378 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.1 | -51.6 | 171.1 | 179.1 | -167 | 168.8 | -167.8 | 0 | 109.7 | G145 F146 C151 L152 K153 G154 E159 | G145-K149 WeakPolarHBondContact O-CA 3.38Å; G145-K149 WeakPolarHBondContact O-CB 3.3Å; G145-K149 PolarHBondContact O-N 2.96Å; F146-K149 PolarHBondContact O-N 2.03Å; K149-C151 PolarHBondContact O-N 3.17Å; K149-L152 PolarHBondContact O-N 3.19Å; K149-K153 WeakPolarHBondContact O-CA 3.45Å; K149-K153 WeakPolarHBondContact O-CB 3.46Å; K149-K153 PolarHBondContact O-N 3.45Å; K149-G154 PolarHBondContact O-N 2.83Å; K149-G154 VanDerWaalsContact O-N 3.08Å; K149-E159 IonicContact NZ-OE1 2.66Å; K149-E159 PolarHBondContact NZ-OE1 3.08Å; K149-E159 IonicContact NZ-OE2 3.87Å |
| 150 | C | 89.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.3 | -28.5 | 178.8 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | K7 L8 L13 F146 S147 G154 C155 | K7-C150 VanDerWaalsContact CA-O 3.32Å; K7-C150 WeakPolarHBondContact CA-O 3.5Å; L8-C150 PolarHBondContact N-O 3.43Å; L8-C150 CarbonylContact O-C 3.27Å; L8-C150 VanDerWaalsContact O-C 3.27Å; L13-C150 HydrophobicContact CD1-CB 3.87Å; L13-C150 HydrophobicContact CD2-CB 4.31Å; F146-C150 PolarHBondContact O-N 2.98Å; F146-C150 PolarHBondContact O-SG 3.41Å; S147-C150 PolarHBondContact O-N 3.48Å; C150-G154 VanDerWaalsContact O-CA 3.26Å; C150-G154 WeakPolarHBondContact O-CA 3.49Å; C150-G154 PolarHBondContact O-N 3.01Å; C150-C155 WeakPolarHBondContact CA-SG 3.04Å; C150-C155 HydrophobicContact CB-CB 3.84Å; C150-C155 WeakPolarHBondContact CB-SG 3.4Å; C150-C155 WeakPolarHBondContact SG-CB 3.31Å; C150-C155 CovalentContact SG-SG 2.03Å; C150-C155 PolarHBondContact SG-SG 3.45Å |
| 151 | C | 90.3 | Very high | 80.3 | Confident | 42 Ų | 42 | 79.8 Ų | 79.8 | 28% | 0.284 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -77.9 | -46.5 | 177.6 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | L8 C9 S147 D148 K149 | L8-C151 WeakPolarHBondContact O-CA 3.36Å; L8-C151 PolarHBondContact O-N 3.33Å; C9-C151 HydrophobicContact CB-CB 3.8Å; C9-C151 WeakPolarHBondContact CB-SG 3.44Å; C9-C151 WeakPolarHBondContact SG-CA 3.04Å; C9-C151 WeakPolarHBondContact SG-CB 3.05Å; C9-C151 CovalentContact SG-SG 2.03Å; C9-C151 PolarHBondContact SG-SG 3.37Å; S147-C151 VanDerWaalsContact O-CB 3.25Å; S147-C151 WeakPolarHBondContact O-CB 3.49Å; S147-C151 PolarHBondContact O-N 2.93Å; D148-C151 PolarHBondContact O-N 3.35Å; K149-C151 PolarHBondContact O-N 3.17Å |
| 152 | L | 88.4 | Confident | 82 | Confident | 123 Ų | 123 | 74.8 Ų | 74.8 | 64% | 0.644 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -83.9 | -47.9 | -173.7 | -64.1 | 172.4 | 0 | 0 | 0 | 112.6 | K7 D148 K149 | K7-L152 VanDerWaalsContact CE-O 3.32Å; K7-L152 WeakPolarHBondContact CE-O 3.46Å; K7-L152 PolarHBondContact NZ-O 3.35Å; D148-L152 VanDerWaalsContact O-CB 3.29Å; D148-L152 WeakPolarHBondContact O-CB 3.25Å; D148-L152 VanDerWaalsContact O-CG 3.26Å; D148-L152 WeakPolarHBondContact O-CG 3.38Å; D148-L152 PolarHBondContact O-N 3.11Å; K149-L152 PolarHBondContact O-N 3.19Å |
| 153 | K | 90.6 | Very high | 83.4 | Confident | 167 Ų | 167 | 69 Ų | 69 | 73% | 0.726 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -28.6 | -175.5 | -64 | -175.5 | 179.2 | -179.2 | 0 | 112.5 | K149 | K149-K153 WeakPolarHBondContact O-CA 3.45Å; K149-K153 WeakPolarHBondContact O-CB 3.46Å; K149-K153 PolarHBondContact O-N 3.45Å |
| 154 | G | 90.6 | Very high | 84.8 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | trans | 91 | 156.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R6 K149 C150 | R6-G154 CarbonylContact O-C 3.6Å; R6-G154 VanDerWaalsContact O-CA 3.27Å; R6-G154 WeakPolarHBondContact O-CA 3.29Å; K149-G154 PolarHBondContact O-N 2.83Å; K149-G154 VanDerWaalsContact O-N 3.08Å; C150-G154 VanDerWaalsContact O-CA 3.26Å; C150-G154 WeakPolarHBondContact O-CA 3.49Å; C150-G154 PolarHBondContact O-N 3.01Å | ||
| 155 | C | 90.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -128.9 | 145.6 | 179.6 | -74 | 0 | 0 | 0 | 0 | 111.5 | P5 R6 C150 E159 L160 | P5-C155 WeakPolarHBondContact CA-O 3.23Å; R6-C155 PolarHBondContact N-O 3.12Å; R6-C155 PolarHBondContact O-N 2.91Å; C150-C155 WeakPolarHBondContact CA-SG 3.04Å; C150-C155 HydrophobicContact CB-CB 3.84Å; C150-C155 WeakPolarHBondContact CB-SG 3.4Å; C150-C155 WeakPolarHBondContact SG-CB 3.31Å; C150-C155 CovalentContact SG-SG 2.03Å; C150-C155 PolarHBondContact SG-SG 3.45Å; C155-E159 VanDerWaalsContact CA-OE2 3.29Å; C155-E159 WeakPolarHBondContact CA-OE2 3.25Å; C155-E159 HydrophobicContact CB-CB 4.24Å; C155-L160 HydrophobicContact CB-CD2 4.33Å; C155-L160 HydrophobicContact CB-CG 3.99Å |
| 156 | T | 90.1 | Very high | 84.9 | Confident | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | trans | -80.9 | 172.3 | 168.9 | 75.5 | 0 | 0 | 0 | 0 | 111 | N3 P5 E158 E159 L160 | N3-T156 WeakPolarHBondContact OD1-CB 3.18Å; N3-T156 WeakPolarHBondContact OD1-CG2 3.37Å; P5-T156 HydrophobicContact CB-CG2 4.27Å; T156-E158 VanDerWaalsContact C-N 3.29Å; T156-E158 WeakPolarHBondContact CB-OE2 3.48Å; T156-E158 PolarHBondContact O-N 3.01Å; T156-E158 PolarHBondContact OG1-OE2 2.85Å; T156-E159 PolarHBondContact N-OE2 3.3Å; T156-E159 PolarHBondContact O-N 3.44Å; T156-E159 PolarHBondContact OG1-N 2.03Å; T156-L160 WeakPolarHBondContact O-CB 3.34Å; T156-L160 WeakPolarHBondContact O-CD1 3.32Å; T156-L160 VanDerWaalsContact O-CG 3.31Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.35Å | ||
| 157 | K | 86.8 | Confident | 83.5 | Confident | 119 Ų | 119 | 63.1 Ų | 63.1 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 179.8 | -71.8 | -173.8 | 179.7 | -175.2 | 0 | 111.9 | L20 L160 A161 | L20-K157 HydrophobicContact CD1-CB 4.26Å; K157-L160 WeakPolarHBondContact O-CB 3.26Å; K157-L160 PolarHBondContact O-N 2.87Å; K157-A161 PolarHBondContact O-N 2.93Å |
| 158 | E | 84.6 | Confident | 82 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 179.6 | -54.6 | 72 | -154.3 | 0 | 0 | 110.3 | N3 T156 L160 A161 | N3-E158 PolarHBondContact OD1-OE2 3.14Å; T156-E158 VanDerWaalsContact C-N 3.29Å; T156-E158 WeakPolarHBondContact CB-OE2 3.48Å; T156-E158 PolarHBondContact O-N 3.01Å; T156-E158 PolarHBondContact OG1-OE2 2.85Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 2.97Å; E158-A161 WeakPolarHBondContact O-CB 3.41Å; E158-A161 PolarHBondContact O-N 3.4Å |
| 159 | E | 86.5 | Confident | 80.1 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 29% | 0.29 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 172.6 | -66.2 | -177.7 | 132.7 | 0 | 0 | 111.6 | F146 K149 C155 T156 A161 V162 | F146-E159 VanDerWaalsContact CE2-O 3.29Å; F146-E159 WeakPolarHBondContact CE2-O 3Å; K149-E159 IonicContact NZ-OE1 2.66Å; K149-E159 PolarHBondContact NZ-OE1 3.08Å; K149-E159 IonicContact NZ-OE2 3.87Å; C155-E159 VanDerWaalsContact CA-OE2 3.29Å; C155-E159 WeakPolarHBondContact CA-OE2 3.25Å; C155-E159 HydrophobicContact CB-CB 4.24Å; T156-E159 PolarHBondContact N-OE2 3.3Å; T156-E159 PolarHBondContact O-N 3.44Å; T156-E159 PolarHBondContact OG1-N 2.03Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 3.23Å; E159-V162 PolarHBondContact O-N 3.36Å |
| 160 | L | 86.8 | Confident | 78.1 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -31.9 | 173.2 | -74.6 | 162.9 | 0 | 0 | 0 | 112.8 | L8 L13 Q16 I17 L20 F146 C155 T156 K157 E158 V162 A163 | L8-L160 HydrophobicContact CD1-CD1 3.91Å; L8-L160 HydrophobicContact CD1-CD2 4.35Å; L13-L160 HydrophobicContact CD1-CD2 3.4Å; Q16-L160 HydrophobicContact CG-CD1 4.27Å; I17-L160 HydrophobicContact CG1-CD2 4.11Å; L20-L160 HydrophobicContact CD1-CB 4.29Å; F146-L160 HydrophobicContact CZ-CD2 4.23Å; C155-L160 HydrophobicContact CB-CD2 4.33Å; C155-L160 HydrophobicContact CB-CG 3.99Å; T156-L160 WeakPolarHBondContact O-CB 3.34Å; T156-L160 WeakPolarHBondContact O-CD1 3.32Å; T156-L160 VanDerWaalsContact O-CG 3.31Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.35Å; K157-L160 WeakPolarHBondContact O-CB 3.26Å; K157-L160 PolarHBondContact O-N 2.87Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 2.97Å; L160-V162 VanDerWaalsContact C-N 3.27Å; L160-V162 PolarHBondContact O-N 3.45Å; L160-A163 WeakPolarHBondContact O-CB 3.39Å; L160-A163 PolarHBondContact O-N 2.9Å; L160-A163 VanDerWaalsContact O-N 3.14Å |
| 161 | A | 83.8 | Confident | 76 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.7 | -26.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L20 W26 K157 E158 E159 A163 C164 | L20-A161 HydrophobicContact CD2-CB 3.88Å; W26-A161 HydrophobicContact CH2-CB 4.15Å; W26-A161 HydrophobicContact CZ3-CB 4.45Å; K157-A161 PolarHBondContact O-N 2.93Å; E158-A161 WeakPolarHBondContact O-CB 3.41Å; E158-A161 PolarHBondContact O-N 3.4Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 3.23Å; A161-A163 PolarHBondContact O-N 2.7Å; A161-C164 WeakPolarHBondContact O-CB 3.23Å; A161-C164 PolarHBondContact O-N 2.86Å |
| 162 | V | 83.4 | Confident | 73.8 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -61.5 | -27.7 | 174 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | E159 L160 C164 L165 | E159-V162 PolarHBondContact O-N 3.36Å; L160-V162 VanDerWaalsContact C-N 3.27Å; L160-V162 PolarHBondContact O-N 3.45Å; V162-C164 PolarHBondContact O-N 3.04Å; V162-L165 HydrophobicContact CG1-CD1 4.1Å; V162-L165 WeakPolarHBondContact O-CD1 3.48Å; V162-L165 VanDerWaalsContact O-CG 3.3Å; V162-L165 WeakPolarHBondContact O-CG 3.29Å |
| 163 | A | 83.4 | Confident | 71.4 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -75.2 | -5.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I17 F146 L160 A161 P166 | I17-A163 HydrophobicContact CD1-CB 3.86Å; I17-A163 HydrophobicContact CG1-CB 4.14Å; I17-A163 HydrophobicContact CG2-CB 4.09Å; F146-A163 HydrophobicContact CD1-CB 4.46Å; F146-A163 HydrophobicContact CE1-CB 3.7Å; F146-A163 HydrophobicContact CZ-CB 3.85Å; L160-A163 WeakPolarHBondContact O-CB 3.39Å; L160-A163 PolarHBondContact O-N 2.9Å; L160-A163 VanDerWaalsContact O-N 3.14Å; A161-A163 PolarHBondContact O-N 2.7Å; A163-P166 WeakPolarHBondContact O-CD 3.26Å |
| 164 | C | 79.9 | Confident | 69.1 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -82.9 | -14.6 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | L20 C21 W26 A161 V162 Y167 V168 | L20-C164 WeakPolarHBondContact CD2-SG 3.46Å; C21-C164 HydrophobicContact CB-CB 3.75Å; C21-C164 WeakPolarHBondContact CB-SG 3.46Å; C21-C164 WeakPolarHBondContact SG-CA 3.29Å; C21-C164 WeakPolarHBondContact SG-CB 3.25Å; C21-C164 CovalentContact SG-SG 2.02Å; C21-C164 PolarHBondContact SG-SG 2.66Å; W26-C164 HydrophobicContact CH2-CB 3.23Å; W26-C164 WeakPolarHBondContact CH2-SG 2.97Å; W26-C164 HydrophobicContact CZ2-CB 3.38Å; W26-C164 WeakPolarHBondContact CZ2-SG 3.4Å; W26-C164 HydrophobicContact CZ3-CB 3.86Å; A161-C164 WeakPolarHBondContact O-CB 3.23Å; A161-C164 PolarHBondContact O-N 2.86Å; V162-C164 PolarHBondContact O-N 3.04Å; C164-Y167 WeakPolarHBondContact O-CA 3.21Å; C164-Y167 WeakPolarHBondContact O-CB 3.32Å; C164-Y167 PolarHBondContact O-N 2.76Å; C164-V168 PolarHBondContact O-N 2.96Å |
| 165 | L | 68.4 | Low | 66.7 | Low | 109 Ų | 109 | 83.4 Ų | 83.4 | 57% | 0.571 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -48.4 | -48.1 | 178.3 | -65.3 | 173.3 | 0 | 0 | 0 | 114.4 | V162 Y167 V168 | V162-L165 HydrophobicContact CG1-CD1 4.1Å; V162-L165 WeakPolarHBondContact O-CD1 3.48Å; V162-L165 VanDerWaalsContact O-CG 3.3Å; V162-L165 WeakPolarHBondContact O-CG 3.29Å; L165-Y167 PolarHBondContact O-N 2.78Å; L165-Y167 VanDerWaalsContact O-N 3.12Å; L165-V168 PolarHBondContact O-N 3.24Å; L165-V168 VanDerWaalsContact O-N 3.1Å |
| 166 | P | 63.6 | Low | 64.4 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 60% | 0.597 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -17.3 | 176.6 | 23.5 | -34.1 | 0 | 0 | 0 | 114.6 | A163 | A163-P166 WeakPolarHBondContact O-CD 3.26Å |
| 167 | Y | 53.3 | Low | 61.8 | Low | 114 Ų | 114 | 100.6 Ų | 100.6 | 45% | 0.447 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -88 | -18.5 | 176.4 | -65.7 | -86.9 | 0 | 0 | 0 | 113.1 | I17 C21 C164 L165 | I17-Y167 HydrophobicContact CG2-CE2 4.22Å; C21-Y167 HydrophobicContact CB-CD2 4.39Å; C21-Y167 HydrophobicContact CB-CG 4.45Å; C164-Y167 WeakPolarHBondContact O-CA 3.21Å; C164-Y167 WeakPolarHBondContact O-CB 3.32Å; C164-Y167 PolarHBondContact O-N 2.76Å; L165-Y167 PolarHBondContact O-N 2.78Å; L165-Y167 VanDerWaalsContact O-N 3.12Å |
| 168 | V | 53.7 | Low | 59.3 | Low | 52 Ų | 52 | 110.7 Ų | 110.7 | 32% | 0.315 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -81 | -40.9 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | W26 C164 L165 F170 K171 T172 | W26-V168 HydrophobicContact CD2-CG2 4.26Å; W26-V168 HydrophobicContact CE3-CG2 4.48Å; W26-V168 HydrophobicContact CG-CG2 4.29Å; C164-V168 PolarHBondContact O-N 2.96Å; L165-V168 PolarHBondContact O-N 3.24Å; L165-V168 VanDerWaalsContact O-N 3.1Å; V168-F170 VanDerWaalsContact C-N 3.29Å; V168-F170 PolarHBondContact O-N 3.37Å; V168-K171 PolarHBondContact O-N 3.04Å; V168-K171 VanDerWaalsContact O-N 3.16Å; V168-T172 PolarHBondContact O-N 3.2Å; V168-T172 PolarHBondContact O-OG1 2.88Å |
| 169 | D | 49.2 | Very low | 58 | Low | 106 Ų | 106 | 111.3 Ų | 111.3 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -27.8 | 178.2 | -78.5 | -27.5 | 0 | 0 | 0 | 113.6 | K171 T172 N173 | D169-K171 VanDerWaalsContact C-N 3.31Å; D169-K171 PolarHBondContact O-N 3.45Å; D169-T172 PolarHBondContact O-OG1 3.39Å; D169-N173 PolarHBondContact O-N 3.17Å; D169-N173 PolarHBondContact O-ND2 3.11Å |
| 170 | F | 46.9 | Very low | 56.5 | Low | 165 Ų | 165 | 113.8 Ų | 113.8 | 72% | 0.724 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.9 | -27.4 | 176.7 | -150 | -91.2 | 0 | 0 | 0 | 112.2 | V168 | V168-F170 VanDerWaalsContact C-N 3.29Å; V168-F170 PolarHBondContact O-N 3.37Å |
| 171 | K | 45.3 | Very low | 54.9 | Low | 165 Ų | 165 | 119.9 Ų | 119.9 | 72% | 0.717 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -84.5 | -31.3 | -177.9 | -161.6 | 175.4 | -177.2 | -179.5 | 0 | 112.5 | V168 D169 | V168-K171 PolarHBondContact O-N 3.04Å; V168-K171 VanDerWaalsContact O-N 3.16Å; D169-K171 VanDerWaalsContact C-N 3.31Å; D169-K171 PolarHBondContact O-N 3.45Å |
| 172 | T | 44.4 | Very low | 53.2 | Low | 78 Ų | 78 | 126.2 Ų | 126.2 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -81.5 | -29.9 | -179.2 | 51.1 | 0 | 0 | 0 | 0 | 113 | V168 D169 N174 | V168-T172 PolarHBondContact O-N 3.2Å; V168-T172 PolarHBondContact O-OG1 2.88Å; D169-T172 PolarHBondContact O-OG1 3.39Å; T172-N174 VanDerWaalsContact C-N 3.33Å; T172-N174 PolarHBondContact O-N 2.97Å |
| 173 | N | 38.6 | Very low | 51.3 | Low | 108 Ų | 108 | 128.4 Ų | 128.4 | 58% | 0.578 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -78.5 | -12.2 | 178.9 | -72.1 | -41.3 | 0 | 0 | 0 | 114.5 | D169 K175 | D169-N173 PolarHBondContact O-N 3.17Å; D169-N173 PolarHBondContact O-ND2 3.11Å; N173-K175 PolarHBondContact O-N 3.19Å |
| 174 | N | 41.8 | Very low | 49.1 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -82.2 | 8.8 | 173.3 | -116.4 | -6.8 | 0 | 0 | 0 | 114 | T172 | T172-N174 VanDerWaalsContact C-N 3.33Å; T172-N174 PolarHBondContact O-N 2.97Å |
| 175 | K | 40.8 | Very low | 46.9 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 83% | 0.826 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -100.8 | 9.1 | 173.5 | -72.9 | -170.8 | 177.9 | -178.6 | 0 | 114.2 | N173 | N173-K175 PolarHBondContact O-N 3.19Š|
| 176 | R | 40.5 | Very low | 45.3 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -124.4 | 24.8 | -175.1 | -107.4 | -163 | -82.7 | -176 | -4.6 | 116.4 | ||
| 177 | H | 36.3 | Very low | 43.8 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 83% | 0.829 | 69% | 0.686 | S | S | * | * | trans | -149.7 | 83 | 162.1 | -87.7 | -75 | 0 | 0 | 0 | 110.7 | ||||
| 178 | W | 34.2 | Very low | 42.9 | Very low | 330 Ų | 330 | 156.1 Ų | 156.1 | 100% | 1.25 | 71% | 0.708 | S | S | * | * | trans | -148.8 | 0 | 144.3 | -80.1 | 96.8 | 0 | 0 | 0 | 106.8 |
Retrieved 178 of 178 residues in 27.4 ms
(Link to these results)