| 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 | 34.9 | Very low | 52.5 | Low | 193 Ų | 193 | 104.3 Ų | 104.3 | 95% | 0.951 | 60% | 0.603 | S | S | * | * | 0 | 113.3 | 0 | -147.6 | 166.7 | -152.8 | 0 | 0 | 105.8 | |||||
| 2 | T | 43.2 | Very low | 53 | Low | 59 Ų | 59 | 100.2 Ų | 100.2 | 36% | 0.362 | 60% | 0.6 | S | S | . | * | trans | -85.1 | 118.9 | 179.5 | -58 | 0 | 0 | 0 | 0 | 106.5 | V18 F20 E24 | T2-V18 HydrophobicContact CG2-CG1 3.44Å; T2-V18 VanDerWaalsContact CG2-CG1 3.44Å; T2-F20 HydrophobicContact CG2-CE1 4.49Å; T2-E24 PolarHBondContact OG1-OE1 3.43Å | ||
| 3 | R | 41.7 | Very low | 53.3 | Low | 213 Ų | 213 | 94.8 Ų | 94.8 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.2 | 177.7 | -154.3 | 174.8 | -179.5 | -172 | -0.5 | 107.3 | V19 | R3-V19 PolarHBondContact O-N 3.41Å |
| 4 | A | 55.2 | Low | 53.2 | Low | 79 Ų | 79 | 93.1 Ų | 93.1 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 138.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 5 | G | 60.7 | Low | 53.4 | Low | 43 Ų | 43 | 86.9 Ų | 86.9 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | A17 | G5-A17 PolarHBondContact N-O 3.02Å; G5-A17 PolarHBondContact O-N 3.37Å |
| 6 | S | 65.4 | Low | 53.9 | Low | 97 Ų | 97 | 84.4 Ų | 84.4 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.9 | 170.6 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | C15 | S6-C15 WeakPolarHBondContact CA-O 3.48Å |
| 7 | F | 56.7 | Low | 54.3 | Low | 81 Ų | 81 | 80.2 Ų | 80.2 | 36% | 0.355 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 140.8 | 169.5 | 64.1 | -85.1 | 0 | 0 | 0 | 109.6 | F9 C15 A17 V40 | F7-F9 HydrophobicContact CD2-CE2 4.14Å; F7-F9 HydrophobicContact CD2-CZ 4.39Å; F7-F9 HydrophobicContact CE2-CD2 4.23Å; F7-F9 AromaticContact CE2-CE2 3.45Å; F7-F9 HydrophobicContact CE2-CE2 3.45Å; F7-F9 VanDerWaalsContact CE2-CE2 3.45Å; F7-F9 AromaticContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CZ-CE2 4.36Å; F7-C15 HydrophobicContact CD1-CB 4.19Å; F7-C15 WeakPolarHBondContact CD1-O 3.35Å; F7-C15 HydrophobicContact CD2-CB 4.28Å; F7-C15 HydrophobicContact CE1-CB 3.68Å; F7-C15 HydrophobicContact CE2-CB 3.8Å; F7-C15 HydrophobicContact CG-CB 4.48Å; F7-C15 HydrophobicContact CZ-CB 3.48Å; F7-C15 VanDerWaalsContact CZ-CB 3.48Å; F7-C15 PolarHBondContact N-O 3.21Å; F7-C15 PolarHBondContact O-N 3.24Å; F7-A17 HydrophobicContact CD1-CB 4.05Å; F7-A17 HydrophobicContact CE1-CB 3.81Å; F7-V40 HydrophobicContact CE1-CG1 3.8Å; F7-V40 HydrophobicContact CE1-CG2 4.36Å; F7-V40 HydrophobicContact CZ-CG1 3.66Å |
| 8 | G | 60.9 | Low | 54.2 | Low | 59 Ų | 59 | 77.6 Ų | 77.6 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 9 | F | 58.5 | Low | 54.4 | Low | 103 Ų | 103 | 77.5 Ų | 77.5 | 45% | 0.452 | 47% | 0.471 | S | S | . | . | trans | -82 | 150.9 | 162.1 | -70.9 | -80.9 | 0 | 0 | 0 | 109.6 | F7 N11 G12 I13 C15 | F7-F9 HydrophobicContact CD2-CE2 4.14Å; F7-F9 HydrophobicContact CD2-CZ 4.39Å; F7-F9 HydrophobicContact CE2-CD2 4.23Å; F7-F9 AromaticContact CE2-CE2 3.45Å; F7-F9 HydrophobicContact CE2-CE2 3.45Å; F7-F9 VanDerWaalsContact CE2-CE2 3.45Å; F7-F9 AromaticContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CE2-CZ 3.62Å; F7-F9 HydrophobicContact CZ-CE2 4.36Å; F9-N11 PolarHBondContact O-N 3.49Å; F9-G12 PolarHBondContact O-N 2.87Å; F9-I13 HydrophobicContact CB-CB 4.27Å; F9-I13 HydrophobicContact CD2-CB 4.16Å; F9-I13 HydrophobicContact CD2-CG2 4.2Å; F9-I13 PolarHBondContact N-O 3.36Å; F9-C15 VanDerWaalsContact CE2-SG 3.51Å | ||
| 10 | P | 55 | Low | 54.5 | Low | 130 Ų | 130 | 74.4 Ų | 74.4 | 84% | 0.844 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.2 | 177.8 | 21.6 | -32 | 0 | 0 | 0 | 113.6 | G12 | P10-G12 PolarHBondContact O-N 3Š|
| 11 | N | 45.8 | Very low | 54.7 | Low | 90 Ų | 90 | 78.1 Ų | 78.1 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 15 | 174.7 | -65 | -36.8 | 0 | 0 | 0 | 114.1 | F9 I13 N50 | F9-N11 PolarHBondContact O-N 3.49Å; N11-I13 PolarHBondContact O-N 3.11Å; N11-N50 PolarHBondContact O-ND2 2.86Å |
| 12 | G | 57.8 | Low | 55.7 | Low | 55 Ų | 55 | 73.2 Ų | 73.2 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 75.4 | 0.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | F9 P10 V14 | F9-G12 PolarHBondContact O-N 2.87Å; P10-G12 PolarHBondContact O-N 3Å; G12-V14 PolarHBondContact O-N 3.02Å |
| 13 | I | 57.1 | Low | 56.7 | Low | 30 Ų | 30 | 74.2 Ų | 74.2 | 15% | 0.154 | 45% | 0.454 | C | S | . | . | trans | -74.4 | 115.3 | 175.9 | -57.6 | 174.6 | 0 | 0 | 0 | 109.1 | F9 N11 C42 A46 I47 | F9-I13 HydrophobicContact CB-CB 4.27Å; F9-I13 HydrophobicContact CD2-CB 4.16Å; F9-I13 HydrophobicContact CD2-CG2 4.2Å; F9-I13 PolarHBondContact N-O 3.36Å; N11-I13 PolarHBondContact O-N 3.11Å; I13-C42 HydrophobicContact CG2-CB 4.04Å; I13-A46 HydrophobicContact CB-CB 4.18Å; I13-A46 HydrophobicContact CG1-CB 3.97Å; I13-A46 HydrophobicContact CG2-CB 4.23Å; I13-I47 HydrophobicContact CD1-CG1 4.47Å | ||
| 14 | V | 52.4 | Low | 57.4 | Low | 71 Ų | 71 | 67.3 Ų | 67.3 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.1 | 173.1 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | G12 S43 | G12-V14 PolarHBondContact O-N 3.02Å; V14-S43 PolarHBondContact O-N 2.75Å; V14-S43 PolarHBondContact O-OG 3.41Å |
| 15 | C | 56.1 | Low | 57.5 | Low | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.2 | 176.9 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | S6 F7 F9 V40 N41 C42 | S6-C15 WeakPolarHBondContact CA-O 3.48Å; F7-C15 HydrophobicContact CD1-CB 4.19Å; F7-C15 WeakPolarHBondContact CD1-O 3.35Å; F7-C15 HydrophobicContact CD2-CB 4.28Å; F7-C15 HydrophobicContact CE1-CB 3.68Å; F7-C15 HydrophobicContact CE2-CB 3.8Å; F7-C15 HydrophobicContact CG-CB 4.48Å; F7-C15 HydrophobicContact CZ-CB 3.48Å; F7-C15 VanDerWaalsContact CZ-CB 3.48Å; F7-C15 PolarHBondContact N-O 3.21Å; F7-C15 PolarHBondContact O-N 3.24Å; F9-C15 VanDerWaalsContact CE2-SG 3.51Å; C15-V40 HydrophobicContact CB-CG1 3.66Å; C15-N41 CarbonylContact C-O 3.59Å; C15-N41 WeakPolarHBondContact CA-O 3.02Å; C15-C42 HydrophobicContact CB-CB 4.02Å; C15-C42 WeakPolarHBondContact CB-SG 3.44Å; C15-C42 WeakPolarHBondContact SG-CB 3.41Å; C15-C42 CovalentContact SG-SG 2.03Å; C15-C42 PolarHBondContact SG-SG 2.03Å |
| 16 | A | 61.4 | Low | 57.4 | Low | 48 Ų | 48 | 70 Ų | 70 | 40% | 0.397 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | V40 N41 | A16-V40 CarbonylContact O-C 3.49Å; A16-V40 WeakPolarHBondContact O-CA 3.46Å; A16-N41 PolarHBondContact N-O 2.86Å; A16-N41 PolarHBondContact O-N 2.82Å |
| 17 | A | 59.9 | Low | 57.1 | Low | 13 Ų | 13 | 73 Ų | 73 | 11% | 0.107 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | G5 F7 L38 A39 V40 | G5-A17 PolarHBondContact N-O 3.02Å; G5-A17 PolarHBondContact O-N 3.37Å; F7-A17 HydrophobicContact CD1-CB 4.05Å; F7-A17 HydrophobicContact CE1-CB 3.81Å; A17-L38 HydrophobicContact CB-CD1 3.65Å; A17-L38 HydrophobicContact CB-CD2 4.41Å; A17-L38 HydrophobicContact CB-CG 4.22Å; A17-A39 CarbonylContact C-O 3.59Å; A17-A39 WeakPolarHBondContact CA-O 3.36Å; A17-V40 HydrophobicContact CB-CG2 4.32Å |
| 18 | V | 52.9 | Low | 56.9 | Low | 32 Ų | 32 | 76.6 Ų | 76.6 | 19% | 0.194 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.1 | 175.2 | -172.4 | 0 | 0 | 0 | 0 | 108.3 | T2 F20 A39 | T2-V18 HydrophobicContact CG2-CG1 3.44Å; T2-V18 VanDerWaalsContact CG2-CG1 3.44Å; V18-F20 HydrophobicContact CB-CD2 4.46Å; V18-F20 HydrophobicContact CB-CE2 3.81Å; V18-F20 HydrophobicContact CB-CZ 3.99Å; V18-F20 HydrophobicContact CG1-CD1 4.31Å; V18-F20 HydrophobicContact CG1-CD2 4.16Å; V18-F20 HydrophobicContact CG1-CE1 3.79Å; V18-F20 HydrophobicContact CG1-CE2 3.64Å; V18-F20 HydrophobicContact CG1-CG 4.47Å; V18-F20 HydrophobicContact CG1-CZ 3.42Å; V18-F20 VanDerWaalsContact CG1-CZ 3.42Å; V18-F20 PolarHBondContact O-N 3.44Å; V18-A39 PolarHBondContact N-O 2.96Å; V18-A39 PolarHBondContact O-N 3.13Å |
| 19 | V | 57.5 | Low | 56.8 | Low | 77 Ų | 77 | 76.4 Ų | 76.4 | 47% | 0.467 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 111.2 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | R3 L38 | R3-V19 PolarHBondContact O-N 3.41Å; V19-L38 HydrophobicContact CB-CD1 4.46Å; V19-L38 HydrophobicContact CG2-CD1 3.36Å |
| 20 | F | 56.8 | Low | 56.8 | Low | 14 Ų | 14 | 75.7 Ų | 75.7 | 6% | 0.061 | 42% | 0.421 | C | S | . | . | trans | -90.1 | 144.7 | 174 | -68.2 | -76.9 | 0 | 0 | 0 | 110.4 | T2 V18 A25 R28 F29 R37 A39 | T2-F20 HydrophobicContact CG2-CE1 4.49Å; V18-F20 HydrophobicContact CB-CD2 4.46Å; V18-F20 HydrophobicContact CB-CE2 3.81Å; V18-F20 HydrophobicContact CB-CZ 3.99Å; V18-F20 HydrophobicContact CG1-CD1 4.31Å; V18-F20 HydrophobicContact CG1-CD2 4.16Å; V18-F20 HydrophobicContact CG1-CE1 3.79Å; V18-F20 HydrophobicContact CG1-CE2 3.64Å; V18-F20 HydrophobicContact CG1-CG 4.47Å; V18-F20 HydrophobicContact CG1-CZ 3.42Å; V18-F20 VanDerWaalsContact CG1-CZ 3.42Å; V18-F20 PolarHBondContact O-N 3.44Å; F20-A25 HydrophobicContact CB-CB 3.79Å; F20-R28 VanDerWaalsContact CE1-NH1 3.26Å; F20-R28 VanDerWaalsContact CZ-NH1 3.33Å; F20-F29 AromaticContact CD2-CE2 3.91Å; F20-F29 HydrophobicContact CD2-CE2 3.91Å; F20-F29 AromaticContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CZ 4.19Å; F20-F29 HydrophobicContact CZ-CE2 4.12Å; F20-R37 PolarHBondContact N-O 2.98Å; F20-A39 HydrophobicContact CD2-CB 4.04Å; F20-A39 HydrophobicContact CE2-CB 3.71Å | ||
| 21 | R | 58.5 | Low | 56.6 | Low | 153 Ų | 153 | 78.5 Ų | 78.5 | 58% | 0.577 | 42% | 0.415 | S | S | * | . | trans | -62.1 | 145.9 | 162.5 | -72.5 | 179.6 | 174.4 | 166.8 | -5.2 | 108.6 | A23 E24 A25 | R21-A23 PolarHBondContact O-N 3.37Å; R21-A23 VanDerWaalsContact O-N 3.11Å; R21-E24 HydrophobicContact CB-CB 4.44Å; R21-E24 PolarHBondContact O-N 3.47Å; R21-A25 PolarHBondContact O-N 2.87Å | ||
| 22 | P | 56.1 | Low | 57 | Low | 91 Ų | 91 | 77.1 Ų | 77.1 | 59% | 0.591 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -53.1 | -37.9 | -177.7 | -25.8 | 32.4 | 0 | 0 | 0 | 113.7 | K26 | P22-K26 PolarHBondContact O-N 2.81Å |
| 23 | A | 64.7 | Low | 56.7 | Low | 80 Ų | 80 | 79 Ų | 79 | 66% | 0.661 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R21 K26 Q27 | R21-A23 PolarHBondContact O-N 3.37Å; R21-A23 VanDerWaalsContact O-N 3.11Å; A23-K26 PolarHBondContact O-N 2.97Å; A23-Q27 PolarHBondContact O-N 2.93Å |
| 24 | E | 56.5 | Low | 56.3 | Low | 68 Ų | 68 | 81.3 Ų | 81.3 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 178.1 | -126.6 | 171.6 | 110.9 | 0 | 0 | 111.4 | T2 R21 Q27 R28 | T2-E24 PolarHBondContact OG1-OE1 3.43Å; R21-E24 HydrophobicContact CB-CB 4.44Å; R21-E24 PolarHBondContact O-N 3.47Å; E24-Q27 PolarHBondContact O-N 3.21Å; E24-R28 PolarHBondContact O-N 2.78Å |
| 25 | A | 57.3 | Low | 56.3 | Low | 16 Ų | 16 | 88.2 Ų | 88.2 | 13% | 0.132 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F20 R21 Q27 R28 F29 | F20-A25 HydrophobicContact CB-CB 3.79Å; R21-A25 PolarHBondContact O-N 2.87Å; A25-Q27 VanDerWaalsContact C-N 3.27Å; A25-Q27 PolarHBondContact O-N 2.92Å; A25-R28 PolarHBondContact O-N 3.35Å; A25-F29 CarbonylContact O-C 3.56Å; A25-F29 WeakPolarHBondContact O-CA 3.34Å; A25-F29 WeakPolarHBondContact O-CB 3.45Å; A25-F29 PolarHBondContact O-N 3.39Å |
| 26 | K | 58.2 | Low | 56.1 | Low | 161 Ų | 161 | 90.8 Ų | 90.8 | 70% | 0.7 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -33.3 | 176.1 | -168.7 | 176.3 | -178.7 | -177.3 | 0 | 112.1 | P22 A23 P30 | P22-K26 PolarHBondContact O-N 2.81Å; A23-K26 PolarHBondContact O-N 2.97Å; K26-P30 WeakPolarHBondContact O-CA 3.37Å; K26-P30 WeakPolarHBondContact O-CB 3.45Å |
| 27 | Q | 60.2 | Low | 55.6 | Low | 161 Ų | 161 | 94 Ų | 94 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.4 | -40.9 | 176.8 | -169.5 | 180 | 12.8 | 0 | 0 | 112.5 | A23 E24 A25 | A23-Q27 PolarHBondContact O-N 2.93Å; E24-Q27 PolarHBondContact O-N 3.21Å; A25-Q27 VanDerWaalsContact C-N 3.27Å; A25-Q27 PolarHBondContact O-N 2.92Å |
| 28 | R | 51.8 | Low | 55 | Low | 157 Ų | 157 | 97.9 Ų | 97.9 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -85.9 | -31.9 | -178.4 | -81.8 | -178 | 149.2 | -164 | -5.1 | 114.4 | F20 E24 A25 P30 | F20-R28 VanDerWaalsContact CE1-NH1 3.26Å; F20-R28 VanDerWaalsContact CZ-NH1 3.33Å; E24-R28 PolarHBondContact O-N 2.78Å; A25-R28 PolarHBondContact O-N 3.35Å; R28-P30 VanDerWaalsContact C-CD 3.48Å |
| 29 | F | 58.4 | Low | 55.1 | Low | 54 Ų | 54 | 97.5 Ų | 97.5 | 24% | 0.237 | 50% | 0.501 | C | S | . | . | trans | -132.2 | 62.2 | -175.1 | -50.7 | -78.4 | 0 | 0 | 0 | 110.5 | F20 A25 W31 I32 A39 | F20-F29 AromaticContact CD2-CE2 3.91Å; F20-F29 HydrophobicContact CD2-CE2 3.91Å; F20-F29 AromaticContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CE2 3.59Å; F20-F29 HydrophobicContact CE2-CZ 4.19Å; F20-F29 HydrophobicContact CZ-CE2 4.12Å; A25-F29 CarbonylContact O-C 3.56Å; A25-F29 WeakPolarHBondContact O-CA 3.34Å; A25-F29 WeakPolarHBondContact O-CB 3.45Å; A25-F29 PolarHBondContact O-N 3.39Å; F29-W31 HydrophobicContact CD1-CH2 4.05Å; F29-W31 AromaticContact CD1-CZ2 3.7Å; F29-W31 HydrophobicContact CD1-CZ2 3.7Å; F29-W31 PolarHBondContact O-N 2.91Å; F29-W31 VanDerWaalsContact O-N 3.13Å; F29-I32 HydrophobicContact CB-CB 3.88Å; F29-I32 HydrophobicContact CB-CD1 3.91Å; F29-I32 HydrophobicContact CB-CG1 3.91Å; F29-I32 HydrophobicContact CD1-CD1 4.23Å; F29-I32 HydrophobicContact CG-CD1 4.26Å; F29-I32 WeakPolarHBondContact O-CB 3.09Å; F29-I32 PolarHBondContact O-N 3.41Å; F29-A39 HydrophobicContact CE2-CB 4.5Å | ||
| 30 | P | 58.5 | Low | 54.9 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.2 | -176.4 | 24.3 | -34.4 | 0 | 0 | 0 | 113.4 | K26 R28 I32 | K26-P30 WeakPolarHBondContact O-CA 3.37Å; K26-P30 WeakPolarHBondContact O-CB 3.45Å; R28-P30 VanDerWaalsContact C-CD 3.48Å; P30-I32 PolarHBondContact O-N 3.48Å |
| 31 | W | 51.2 | Low | 54.7 | Low | 190 Ų | 190 | 101.5 Ų | 101.5 | 72% | 0.72 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11 | 175.8 | 61.9 | 92.9 | 0 | 0 | 0 | 113.6 | F29 | F29-W31 HydrophobicContact CD1-CH2 4.05Å; F29-W31 AromaticContact CD1-CZ2 3.7Å; F29-W31 HydrophobicContact CD1-CZ2 3.7Å; F29-W31 PolarHBondContact O-N 2.91Å; F29-W31 VanDerWaalsContact O-N 3.13Å |
| 32 | I | 54 | Low | 54.8 | Low | 60 Ų | 60 | 96.1 Ų | 96.1 | 31% | 0.308 | 51% | 0.507 | S | S | . | . | trans | -101.5 | 86.6 | -176.9 | -61.8 | -165.8 | 0 | 0 | 0 | 107.5 | F29 P30 L34 | F29-I32 HydrophobicContact CB-CB 3.88Å; F29-I32 HydrophobicContact CB-CD1 3.91Å; F29-I32 HydrophobicContact CB-CG1 3.91Å; F29-I32 HydrophobicContact CD1-CD1 4.23Å; F29-I32 HydrophobicContact CG-CD1 4.26Å; F29-I32 WeakPolarHBondContact O-CB 3.09Å; F29-I32 PolarHBondContact O-N 3.41Å; P30-I32 PolarHBondContact O-N 3.48Å; I32-L34 HydrophobicContact CB-CD1 4.01Å; I32-L34 HydrophobicContact CG2-CB 4.14Å; I32-L34 HydrophobicContact CG2-CD1 3.12Å; I32-L34 HydrophobicContact CG2-CG 4.16Å; I32-L34 PolarHBondContact O-N 2.79Å | ||
| 33 | A | 51.5 | Low | 54.7 | Low | 96 Ų | 96 | 94.9 Ų | 94.9 | 79% | 0.793 | 50% | 0.501 | S | S | * | . | trans | -74.9 | 65.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 34 | L | 49 | Very low | 54 | Low | 77 Ų | 77 | 96.3 Ų | 96.3 | 40% | 0.403 | 50% | 0.497 | S | S | . | . | trans | -134.8 | 130.8 | -154.3 | -74.8 | 141.5 | 0 | 0 | 0 | 118.3 | I32 G36 R37 | I32-L34 HydrophobicContact CB-CD1 4.01Å; I32-L34 HydrophobicContact CG2-CB 4.14Å; I32-L34 HydrophobicContact CG2-CD1 3.12Å; I32-L34 HydrophobicContact CG2-CG 4.16Å; I32-L34 PolarHBondContact O-N 2.79Å; L34-G36 PolarHBondContact O-N 3.17Å; L34-R37 HydrophobicContact CB-CG 3.63Å; L34-R37 VanDerWaalsContact CD2-NE 3.3Å | ||
| 35 | K | 52.8 | Low | 53.6 | Low | 216 Ų | 216 | 96.8 Ų | 96.8 | 94% | 0.939 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -66.3 | 85.8 | 176.7 | -81.1 | -178.4 | 173.2 | 176.2 | 0 | 111.1 | ||
| 36 | G | 50.6 | Low | 53.2 | Low | 54 Ų | 54 | 97.1 Ų | 97.1 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 75.8 | 101.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L34 | L34-G36 PolarHBondContact O-N 3.17Š|
| 37 | R | 50.6 | Low | 52.6 | Low | 117 Ų | 117 | 93 Ų | 93 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | trans | -129.3 | 130.8 | -173.7 | -73.1 | -153.1 | 163.6 | -164.2 | 3.2 | 116 | F20 L34 | F20-R37 PolarHBondContact N-O 2.98Å; L34-R37 HydrophobicContact CB-CG 3.63Å; L34-R37 VanDerWaalsContact CD2-NE 3.3Å | ||
| 38 | L | 49 | Very low | 51.8 | Low | 94 Ų | 94 | 91.5 Ų | 91.5 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.3 | 157.8 | -175.9 | 74.7 | 0 | 0 | 0 | 107.9 | A17 V19 V40 | A17-L38 HydrophobicContact CB-CD1 3.65Å; A17-L38 HydrophobicContact CB-CD2 4.41Å; A17-L38 HydrophobicContact CB-CG 4.22Å; V19-L38 HydrophobicContact CB-CD1 4.46Å; V19-L38 HydrophobicContact CG2-CD1 3.36Å; L38-V40 HydrophobicContact CD2-CG2 3.6Å; L38-V40 HydrophobicContact CG-CG2 3.73Å |
| 39 | A | 54.9 | Low | 51.6 | Low | 24 Ų | 24 | 87.5 Ų | 87.5 | 20% | 0.198 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | A17 V18 F20 F29 | A17-A39 CarbonylContact C-O 3.59Å; A17-A39 WeakPolarHBondContact CA-O 3.36Å; V18-A39 PolarHBondContact N-O 2.96Å; V18-A39 PolarHBondContact O-N 3.13Å; F20-A39 HydrophobicContact CD2-CB 4.04Å; F20-A39 HydrophobicContact CE2-CB 3.71Å; F29-A39 HydrophobicContact CE2-CB 4.5Å |
| 40 | V | 52.4 | Low | 50.7 | Low | 62 Ų | 62 | 87 Ų | 87 | 38% | 0.376 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.5 | 176.9 | -177 | 0 | 0 | 0 | 0 | 108.1 | F7 C15 A16 A17 L38 | F7-V40 HydrophobicContact CE1-CG1 3.8Å; F7-V40 HydrophobicContact CE1-CG2 4.36Å; F7-V40 HydrophobicContact CZ-CG1 3.66Å; C15-V40 HydrophobicContact CB-CG1 3.66Å; A16-V40 CarbonylContact O-C 3.49Å; A16-V40 WeakPolarHBondContact O-CA 3.46Å; A17-V40 HydrophobicContact CB-CG2 4.32Å; L38-V40 HydrophobicContact CD2-CG2 3.6Å; L38-V40 HydrophobicContact CG-CG2 3.73Å |
| 41 | N | 52.8 | Low | 49.9 | Very low | 112 Ų | 112 | 84.9 Ų | 84.9 | 60% | 0.599 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 107.7 | 167.5 | -79.1 | -71 | 0 | 0 | 0 | 108.2 | C15 A16 | C15-N41 CarbonylContact C-O 3.59Å; C15-N41 WeakPolarHBondContact CA-O 3.02Å; A16-N41 PolarHBondContact N-O 2.86Å; A16-N41 PolarHBondContact O-N 2.82Å |
| 42 | C | 59.8 | Low | 49.4 | Very low | 40 Ų | 40 | 83.7 Ų | 83.7 | 27% | 0.27 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.3 | 165.9 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | I13 C15 L44 I47 | I13-C42 HydrophobicContact CG2-CB 4.04Å; C15-C42 HydrophobicContact CB-CB 4.02Å; C15-C42 WeakPolarHBondContact CB-SG 3.44Å; C15-C42 WeakPolarHBondContact SG-CB 3.41Å; C15-C42 CovalentContact SG-SG 2.03Å; C15-C42 PolarHBondContact SG-SG 2.03Å; C42-L44 PolarHBondContact O-N 2.87Å; C42-I47 HydrophobicContact CB-CD1 4.27Å |
| 43 | S | 54.7 | Low | 48.7 | Very low | 65 Ų | 65 | 86 Ų | 86 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | trans | -55 | 110.1 | 174.4 | -52 | 0 | 0 | 0 | 0 | 108.5 | V14 A45 A46 I47 | V14-S43 PolarHBondContact O-N 2.75Å; V14-S43 PolarHBondContact O-OG 3.41Å; S43-A45 PolarHBondContact O-N 3.29Å; S43-A45 VanDerWaalsContact O-N 3.13Å; S43-A46 WeakPolarHBondContact O-CB 3.47Å; S43-A46 PolarHBondContact O-N 3.13Å; S43-I47 PolarHBondContact O-N 2.91Å | ||
| 44 | L | 49.9 | Very low | 48.3 | Very low | 111 Ų | 111 | 87.1 Ų | 87.1 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -52.9 | -36.9 | 178.5 | -125.4 | 91.1 | 0 | 0 | 0 | 110.3 | C42 A46 I47 F48 | C42-L44 PolarHBondContact O-N 2.87Å; L44-A46 PolarHBondContact O-N 2.83Å; L44-A46 VanDerWaalsContact O-N 3.14Å; L44-I47 CarbonylContact O-C 3.52Å; L44-I47 WeakPolarHBondContact O-CA 3.42Å; L44-I47 WeakPolarHBondContact O-CB 3.28Å; L44-I47 PolarHBondContact O-N 3.47Å; L44-F48 HydrophobicContact CB-CD2 4.31Å; L44-F48 HydrophobicContact CD2-CD2 3.84Å; L44-F48 HydrophobicContact CD2-CE2 3.3Å; L44-F48 HydrophobicContact CD2-CZ 4.28Å; L44-F48 HydrophobicContact CG-CD2 3.97Å; L44-F48 HydrophobicContact CG-CE2 3.76Å; L44-F48 WeakPolarHBondContact O-CD2 3.04Å; L44-F48 PolarHBondContact O-N 2.82Å |
| 45 | A | 48.5 | Very low | 47.7 | Very low | 78 Ų | 78 | 86.5 Ų | 86.5 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -51.1 | -37.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S43 A49 | S43-A45 PolarHBondContact O-N 3.29Å; S43-A45 VanDerWaalsContact O-N 3.13Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3Å |
| 46 | A | 47.6 | Very low | 47.3 | Very low | 23 Ų | 23 | 80.2 Ų | 80.2 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -77.4 | -31.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I13 S43 L44 N50 | I13-A46 HydrophobicContact CB-CB 4.18Å; I13-A46 HydrophobicContact CG1-CB 3.97Å; I13-A46 HydrophobicContact CG2-CB 4.23Å; S43-A46 WeakPolarHBondContact O-CB 3.47Å; S43-A46 PolarHBondContact O-N 3.13Å; L44-A46 PolarHBondContact O-N 2.83Å; L44-A46 VanDerWaalsContact O-N 3.14Å; A46-N50 PolarHBondContact O-N 3.22Å |
| 47 | I | 47.4 | Very low | 46.8 | Very low | 75 Ų | 75 | 80.5 Ų | 80.5 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 171.1 | -57 | 175.7 | 0 | 0 | 0 | 109.6 | I13 C42 S43 L44 A51 | I13-I47 HydrophobicContact CD1-CG1 4.47Å; C42-I47 HydrophobicContact CB-CD1 4.27Å; S43-I47 PolarHBondContact O-N 2.91Å; L44-I47 CarbonylContact O-C 3.52Å; L44-I47 WeakPolarHBondContact O-CA 3.42Å; L44-I47 WeakPolarHBondContact O-CB 3.28Å; L44-I47 PolarHBondContact O-N 3.47Å; I47-A51 VanDerWaalsContact O-CB 3.26Å; I47-A51 WeakPolarHBondContact O-CB 3.49Å; I47-A51 PolarHBondContact O-N 3.22Å |
| 48 | F | 43 | Very low | 46 | Very low | 129 Ų | 129 | 77.2 Ų | 77.2 | 57% | 0.566 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76.5 | -38 | -176.3 | -82.7 | -90.8 | 0 | 0 | 0 | 113.6 | L44 N50 A51 Q52 | L44-F48 HydrophobicContact CB-CD2 4.31Å; L44-F48 HydrophobicContact CD2-CD2 3.84Å; L44-F48 HydrophobicContact CD2-CE2 3.3Å; L44-F48 HydrophobicContact CD2-CZ 4.28Å; L44-F48 HydrophobicContact CG-CD2 3.97Å; L44-F48 HydrophobicContact CG-CE2 3.76Å; L44-F48 WeakPolarHBondContact O-CD2 3.04Å; L44-F48 PolarHBondContact O-N 2.82Å; F48-N50 PolarHBondContact O-N 2.85Å; F48-A51 PolarHBondContact O-N 2.91Å; F48-Q52 PolarHBondContact O-N 3.14Å; F48-Q52 VanDerWaalsContact O-N 3.09Å |
| 49 | A | 47 | Very low | 45.4 | Very low | 72 Ų | 72 | 77.5 Ų | 77.5 | 60% | 0.595 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.4 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A45 | A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 3Å |
| 50 | N | 38.8 | Very low | 44.9 | Very low | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.241 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -79.7 | -31.2 | 173.3 | -120.7 | -40.3 | 0 | 0 | 0 | 112.3 | N11 A46 F48 Q52 D53 Y54 | N11-N50 PolarHBondContact O-ND2 2.86Å; A46-N50 PolarHBondContact O-N 3.22Å; F48-N50 PolarHBondContact O-N 2.85Å; N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 3Å; N50-D53 PolarHBondContact O-N 3.4Å; N50-D53 VanDerWaalsContact O-N 3.13Å; N50-Y54 HydrophobicContact CB-CD2 4.2Å; N50-Y54 HydrophobicContact CB-CE2 4.32Å; N50-Y54 WeakPolarHBondContact O-CB 3.15Å; N50-Y54 WeakPolarHBondContact O-CD2 3.4Å; N50-Y54 PolarHBondContact O-N 2.82Å |
| 51 | A | 43.2 | Very low | 44.7 | Very low | 43 Ų | 43 | 87.6 Ų | 87.6 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -30.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I47 F48 Y54 A55 | I47-A51 VanDerWaalsContact O-CB 3.26Å; I47-A51 WeakPolarHBondContact O-CB 3.49Å; I47-A51 PolarHBondContact O-N 3.22Å; F48-A51 PolarHBondContact O-N 2.91Å; A51-Y54 CarbonylContact O-C 3.54Å; A51-A55 VanDerWaalsContact O-CB 3.29Å; A51-A55 WeakPolarHBondContact O-CB 3.08Å; A51-A55 PolarHBondContact O-N 3.43Å |
| 52 | Q | 40.6 | Very low | 44.2 | Very low | 164 Ų | 164 | 85 Ų | 85 | 77% | 0.766 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.3 | -38.5 | 172.3 | -80.5 | -169.2 | -24.7 | 0 | 0 | 112.2 | F48 N50 A55 S56 | F48-Q52 PolarHBondContact O-N 3.14Å; F48-Q52 VanDerWaalsContact O-N 3.09Å; N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 3Å; Q52-A55 PolarHBondContact O-N 3.23Å; Q52-S56 PolarHBondContact O-N 3Å |
| 53 | D | 39.5 | Very low | 43.3 | Very low | 110 Ų | 110 | 90.9 Ų | 90.9 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -44.8 | 173.3 | -131.6 | -56.7 | 0 | 0 | 0 | 110.6 | N50 A55 S56 A57 | N50-D53 PolarHBondContact O-N 3.4Å; N50-D53 VanDerWaalsContact O-N 3.13Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 3.07Å; D53-S56 PolarHBondContact O-N 3.34Å; D53-S56 PolarHBondContact O-OG 3.32Å; D53-A57 PolarHBondContact O-N 3.14Å |
| 54 | Y | 42.4 | Very low | 42.6 | Very low | 118 Ų | 118 | 95.3 Ų | 95.3 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 171.1 | -83.8 | -75.5 | 0 | 0 | 0 | 112 | N50 A51 S56 A57 V58 | N50-Y54 HydrophobicContact CB-CD2 4.2Å; N50-Y54 HydrophobicContact CB-CE2 4.32Å; N50-Y54 WeakPolarHBondContact O-CB 3.15Å; N50-Y54 WeakPolarHBondContact O-CD2 3.4Å; N50-Y54 PolarHBondContact O-N 2.82Å; A51-Y54 CarbonylContact O-C 3.54Å; Y54-S56 PolarHBondContact O-N 2.77Å; Y54-A57 CarbonylContact O-C 3.58Å; Y54-A57 PolarHBondContact O-N 3.09Å; Y54-V58 HydrophobicContact CD1-CG2 4.14Å; Y54-V58 WeakPolarHBondContact O-CA 3.14Å; Y54-V58 WeakPolarHBondContact O-CB 3.26Å; Y54-V58 WeakPolarHBondContact O-CG2 3.36Å; Y54-V58 PolarHBondContact O-N 3.32Å |
| 55 | A | 37.4 | Very low | 42 | Very low | 65 Ų | 65 | 94.4 Ų | 94.4 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.3 | -36 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A51 Q52 D53 S59 | A51-A55 VanDerWaalsContact O-CB 3.29Å; A51-A55 WeakPolarHBondContact O-CB 3.08Å; A51-A55 PolarHBondContact O-N 3.43Å; Q52-A55 PolarHBondContact O-N 3.23Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 3.07Å; A55-S59 PolarHBondContact O-N 3.4Å |
| 56 | S | 42.7 | Very low | 41.9 | Very low | 84 Ų | 84 | 97 Ų | 97 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.9 | -41 | 174.1 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | Q52 D53 Y54 V58 | Q52-S56 PolarHBondContact O-N 3Å; D53-S56 PolarHBondContact O-N 3.34Å; D53-S56 PolarHBondContact O-OG 3.32Å; Y54-S56 PolarHBondContact O-N 2.77Å; S56-V58 VanDerWaalsContact C-N 3.35Å; S56-V58 PolarHBondContact O-N 3.34Å |
| 57 | A | 40.3 | Very low | 41.4 | Very low | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74 | -24.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D53 Y54 | D53-A57 PolarHBondContact O-N 3.14Å; Y54-A57 CarbonylContact O-C 3.58Å; Y54-A57 PolarHBondContact O-N 3.09Å |
| 58 | V | 33.9 | Very low | 40.8 | Very low | 47 Ų | 47 | 102.4 Ų | 102.4 | 29% | 0.285 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -88.2 | -17.9 | -173 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | Y54 S56 I60 K61 V62 | Y54-V58 HydrophobicContact CD1-CG2 4.14Å; Y54-V58 WeakPolarHBondContact O-CA 3.14Å; Y54-V58 WeakPolarHBondContact O-CB 3.26Å; Y54-V58 WeakPolarHBondContact O-CG2 3.36Å; Y54-V58 PolarHBondContact O-N 3.32Å; S56-V58 VanDerWaalsContact C-N 3.35Å; S56-V58 PolarHBondContact O-N 3.34Å; V58-I60 PolarHBondContact O-N 2.81Å; V58-K61 PolarHBondContact O-N 2.54Å; V58-V62 HydrophobicContact CB-CG2 4.48Å; V58-V62 HydrophobicContact CG1-CG2 3.39Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.43Å |
| 59 | S | 37.7 | Very low | 40.6 | Very low | 100 Ų | 100 | 99.4 Ų | 99.4 | 70% | 0.699 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -19.6 | 174.6 | -153.9 | 0 | 0 | 0 | 0 | 113.8 | A55 | A55-S59 PolarHBondContact O-N 3.4Š|
| 60 | I | 44.5 | Very low | 40.1 | Very low | 151 Ų | 151 | 103.6 Ų | 103.6 | 77% | 0.774 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -22.5 | 174.8 | -59.6 | 176.6 | 0 | 0 | 0 | 112.3 | V58 | V58-I60 PolarHBondContact O-N 2.81Š|
| 61 | K | 47.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 104.3 Ų | 104.3 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -11.7 | -178 | -71.3 | -176.1 | 178.7 | 178.1 | 0 | 114.3 | V58 E63 Q64 L65 | V58-K61 PolarHBondContact O-N 2.54Å; K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.41Å; K61-Q64 PolarHBondContact O-N 2.96Å; K61-Q64 VanDerWaalsContact O-N 3.16Å; K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 PolarHBondContact O-N 3.29Å |
| 62 | V | 43.4 | Very low | 39.7 | Very low | 57 Ų | 57 | 106.5 Ų | 106.5 | 35% | 0.345 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.1 | -33.7 | -177 | 169.9 | 0 | 0 | 0 | 0 | 112.6 | V58 Q64 K66 | V58-V62 HydrophobicContact CB-CG2 4.48Å; V58-V62 HydrophobicContact CG1-CG2 3.39Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.43Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.31Å; V62-K66 HydrophobicContact CG1-CD 4.27Å; V62-K66 HydrophobicContact CG1-CG 4.32Å; V62-K66 WeakPolarHBondContact O-CB 3.32Å; V62-K66 WeakPolarHBondContact O-CG 3.21Å; V62-K66 PolarHBondContact O-N 3.19Å |
| 63 | E | 38.8 | Very low | 39.4 | Very low | 165 Ų | 165 | 107.4 Ų | 107.4 | 77% | 0.771 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.7 | -37.4 | 176.3 | -103.2 | -167 | 101.9 | 0 | 0 | 112.7 | K61 | K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.41Å |
| 64 | Q | 41 | Very low | 39.6 | Very low | 157 Ų | 157 | 105.9 Ų | 105.9 | 73% | 0.734 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -83.1 | -32.9 | 178.4 | -66.1 | -171.2 | -17.2 | 0 | 0 | 112.6 | K61 V62 K66 M67 A68 | K61-Q64 PolarHBondContact O-N 2.96Å; K61-Q64 VanDerWaalsContact O-N 3.16Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 3.31Å; Q64-K66 VanDerWaalsContact C-N 3.29Å; Q64-K66 PolarHBondContact O-N 3.2Å; Q64-M67 PolarHBondContact O-N 3.01Å; Q64-M67 VanDerWaalsContact O-N 3.11Å; Q64-A68 PolarHBondContact O-N 3.13Å |
| 65 | L | 37.1 | Very low | 39.1 | Very low | 92 Ų | 92 | 107.3 Ų | 107.3 | 48% | 0.482 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.8 | -23.7 | 174.3 | -157.7 | 80.1 | 0 | 0 | 0 | 111.7 | K61 M67 A68 T69 | K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 PolarHBondContact O-N 3.29Å; L65-M67 PolarHBondContact O-N 3.44Å; L65-A68 HydrophobicContact CD1-CB 4.29Å; L65-A68 PolarHBondContact O-N 3.27Å; L65-T69 WeakPolarHBondContact CG-OG1 3.44Å; L65-T69 WeakPolarHBondContact O-CB 3.5Å; L65-T69 PolarHBondContact O-N 2.73Å; L65-T69 PolarHBondContact O-OG1 2.87Å |
| 66 | K | 47.5 | Very low | 39 | Very low | 133 Ų | 133 | 108 Ų | 108 | 58% | 0.578 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56 | -43 | 165.6 | -81.9 | 169.4 | -178.4 | 177 | 0 | 110 | V62 Q64 F70 | V62-K66 HydrophobicContact CG1-CD 4.27Å; V62-K66 HydrophobicContact CG1-CG 4.32Å; V62-K66 WeakPolarHBondContact O-CB 3.32Å; V62-K66 WeakPolarHBondContact O-CG 3.21Å; V62-K66 PolarHBondContact O-N 3.19Å; Q64-K66 VanDerWaalsContact C-N 3.29Å; Q64-K66 PolarHBondContact O-N 3.2Å; K66-F70 WeakPolarHBondContact O-CB 3.18Å; K66-F70 PolarHBondContact O-N 3.49Å |
| 67 | M | 35.3 | Very low | 38.6 | Very low | 161 Ų | 161 | 110 Ų | 110 | 79% | 0.793 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.2 | -39 | 175.7 | -71.4 | -164.7 | 171.6 | 0 | 0 | 113.1 | Q64 L65 A71 | Q64-M67 PolarHBondContact O-N 3.01Å; Q64-M67 VanDerWaalsContact O-N 3.11Å; L65-M67 PolarHBondContact O-N 3.44Å; M67-A71 WeakPolarHBondContact O-CB 2.95Å; M67-A71 PolarHBondContact O-N 3.37Å |
| 68 | A | 36.1 | Very low | 38.4 | Very low | 50 Ų | 50 | 118.3 Ų | 118.3 | 41% | 0.413 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -76.5 | -42.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q64 L65 A71 S72 | Q64-A68 PolarHBondContact O-N 3.13Å; L65-A68 HydrophobicContact CD1-CB 4.29Å; L65-A68 PolarHBondContact O-N 3.27Å; A68-A71 PolarHBondContact O-N 3.06Å; A68-S72 PolarHBondContact O-N 2.68Å; A68-S72 PolarHBondContact O-OG 2.73Å |
| 69 | T | 39.2 | Very low | 38.5 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 41% | 0.411 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -81.3 | -30.2 | 179.7 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | L65 A71 S72 Y73 | L65-T69 WeakPolarHBondContact CG-OG1 3.44Å; L65-T69 WeakPolarHBondContact O-CB 3.5Å; L65-T69 PolarHBondContact O-N 2.73Å; L65-T69 PolarHBondContact O-OG1 2.87Å; T69-A71 PolarHBondContact O-N 3.22Å; T69-S72 PolarHBondContact O-N 2.75Å; T69-Y73 WeakPolarHBondContact O-CA 3.35Å; T69-Y73 WeakPolarHBondContact O-CB 3.01Å; T69-Y73 PolarHBondContact O-N 2.9Å |
| 70 | F | 35.3 | Very low | 38.2 | Very low | 160 Ų | 160 | 121.2 Ų | 121.2 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.3 | -40.9 | 167.7 | -141.1 | -89.6 | 0 | 0 | 0 | 109 | K66 S74 | K66-F70 WeakPolarHBondContact O-CB 3.18Å; K66-F70 PolarHBondContact O-N 3.49Å; F70-S74 WeakPolarHBondContact O-CB 3.29Å; F70-S74 PolarHBondContact O-N 3.39Å; F70-S74 PolarHBondContact O-OG 3.26Å |
| 71 | A | 35.6 | Very low | 37.7 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.8 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M67 A68 T69 | M67-A71 WeakPolarHBondContact O-CB 2.95Å; M67-A71 PolarHBondContact O-N 3.37Å; A68-A71 PolarHBondContact O-N 3.06Å; T69-A71 PolarHBondContact O-N 3.22Å |
| 72 | S | 37.4 | Very low | 37.1 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.2 | -31.3 | -178.4 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | A68 T69 | A68-S72 PolarHBondContact O-N 2.68Å; A68-S72 PolarHBondContact O-OG 2.73Å; T69-S72 PolarHBondContact O-N 2.75Å |
| 73 | Y | 35.8 | Very low | 36.9 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -89.4 | -24.1 | -178.1 | -145.9 | -98.3 | 0 | 0 | 0 | 112.6 | T69 L75 S76 | T69-Y73 WeakPolarHBondContact O-CA 3.35Å; T69-Y73 WeakPolarHBondContact O-CB 3.01Å; T69-Y73 PolarHBondContact O-N 2.9Å; Y73-L75 PolarHBondContact O-N 3.2Å; Y73-S76 PolarHBondContact O-N 3.11Å |
| 74 | S | 43.8 | Very low | 37.2 | Very low | 78 Ų | 78 | 126.7 Ų | 126.7 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | -13.6 | 175 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | F70 | F70-S74 WeakPolarHBondContact O-CB 3.29Å; F70-S74 PolarHBondContact O-N 3.39Å; F70-S74 PolarHBondContact O-OG 3.26Å |
| 75 | L | 31 | Very low | 36.8 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 78% | 0.775 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -8.3 | 174.4 | -103.6 | 145.6 | 0 | 0 | 0 | 114.3 | Y73 H77 | Y73-L75 PolarHBondContact O-N 3.2Å; L75-H77 VanDerWaalsContact C-N 3.25Å; L75-H77 PolarHBondContact O-N 3.3Å; L75-H77 VanDerWaalsContact O-N 3.14Å |
| 76 | S | 35.2 | Very low | 37 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 57% | 0.566 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -94.2 | 59.4 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | Y73 R78 | Y73-S76 PolarHBondContact O-N 3.11Å; S76-R78 PolarHBondContact O-N 2.89Å |
| 77 | H | 35.4 | Very low | 36.6 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 58% | 0.583 | 68% | 0.68 | S | S | * | * | trans | 49.9 | 74.7 | 131.6 | -176.9 | -73.1 | 0 | 0 | 0 | 114.8 | L75 I79 | L75-H77 VanDerWaalsContact C-N 3.25Å; L75-H77 PolarHBondContact O-N 3.3Å; L75-H77 VanDerWaalsContact O-N 3.14Å; H77-I79 HydrophobicContact CB-CG1 4.32Å; H77-I79 VanDerWaalsContact CD2-CB 3.49Å; H77-I79 WeakPolarHBondContact CD2-CB 3.12Å; H77-I79 WeakPolarHBondContact CD2-CD1 3.02Å; H77-I79 WeakPolarHBondContact CD2-CG1 3.43Å; H77-I79 VanDerWaalsContact CE1-CB 3.42Å; H77-I79 WeakPolarHBondContact CE1-CB 3.4Å; H77-I79 PolarHBondContact ND1-N 3.4Å; H77-I79 VanDerWaalsContact NE2-CB 3.28Å; H77-I79 WeakPolarHBondContact NE2-CB 3.2Å; H77-I79 WeakPolarHBondContact NE2-CD1 3.06Å; H77-I79 PolarHBondContact O-N 3.49Å | ||
| 78 | R | 34.5 | Very low | 36.7 | Very low | 233 Ų | 233 | 119.7 Ų | 119.7 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | trans | -74.2 | 45.4 | 139.7 | -155.9 | -172.5 | -157.5 | -141.5 | 8.8 | 109.9 | S76 T80 | S76-R78 PolarHBondContact O-N 2.89Å; R78-T80 PolarHBondContact O-N 2.99Å | ||
| 79 | I | 37.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 122 Ų | 122 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | trans | -76.2 | 76.4 | 159.1 | -47.4 | -177.7 | 0 | 0 | 0 | 105.3 | H77 | H77-I79 HydrophobicContact CB-CG1 4.32Å; H77-I79 VanDerWaalsContact CD2-CB 3.49Å; H77-I79 WeakPolarHBondContact CD2-CB 3.12Å; H77-I79 WeakPolarHBondContact CD2-CD1 3.02Å; H77-I79 WeakPolarHBondContact CD2-CG1 3.43Å; H77-I79 VanDerWaalsContact CE1-CB 3.42Å; H77-I79 WeakPolarHBondContact CE1-CB 3.4Å; H77-I79 PolarHBondContact ND1-N 3.4Å; H77-I79 VanDerWaalsContact NE2-CB 3.28Å; H77-I79 WeakPolarHBondContact NE2-CB 3.2Å; H77-I79 WeakPolarHBondContact NE2-CD1 3.06Å; H77-I79 PolarHBondContact O-N 3.49Å | ||
| 80 | T | 31.3 | Very low | 37.4 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 53% | 0.528 | 71% | 0.714 | S | S | . | * | trans | -70.2 | 122.2 | 161.5 | -60.2 | 0 | 0 | 0 | 0 | 105.1 | R78 | R78-T80 PolarHBondContact O-N 2.99Š| ||
| 81 | R | 33.5 | Very low | 37.6 | Very low | 224 Ų | 224 | 121.8 Ų | 121.8 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 50.4 | 106.1 | 156.2 | -56 | 177.6 | -176.1 | -146.2 | 1.4 | 113.6 | ||
| 82 | E | 33.4 | Very low | 37.6 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | -149.7 | 148.8 | 69.5 | -54.5 | -162.3 | 89.2 | 0 | 0 | 109.4 | P84 | E82-P84 WeakPolarHBondContact O-CD 3.39Š| |||
| 83 | P | 40.7 | Very low | 37.8 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 84% | 0.844 | 73% | 0.726 | S | S | * | * | trans | -73 | 106.2 | 165.3 | 28.5 | -29.9 | 0 | 0 | 0 | 109.5 | S85 | P83-S85 PolarHBondContact O-N 2.92Š| ||
| 84 | P | 45 | Very low | 38.4 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | trans | -89 | 106.9 | 169.5 | 8.4 | 15.9 | 0 | 0 | 0 | 106.9 | E82 | E82-P84 WeakPolarHBondContact O-CD 3.39Š| ||
| 85 | S | 32.1 | Very low | 38 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 57.9 | 114.5 | 139 | -57.9 | 0 | 0 | 0 | 0 | 119.8 | P83 G87 | P83-S85 PolarHBondContact O-N 2.92Å; S85-G87 PolarHBondContact O-N 3.32Å | ||
| 86 | P | 41.9 | Very low | 38.4 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 93% | 0.929 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -70.9 | 108 | 165.9 | 30.1 | -30.1 | 0 | 0 | 0 | 109.6 | ||
| 87 | G | 37.5 | Very low | 38.6 | Very low | 74 Ų | 74 | 135.3 Ų | 135.3 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 179.1 | 132.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S85 | S85-G87 PolarHBondContact O-N 3.32Š| ||
| 88 | G | 38.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 98.3 | 96.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N90 | G88-N90 PolarHBondContact O-N 3.46Š| ||
| 89 | A | 45.1 | Very low | 39 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -46.6 | 129.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 90 | N | 44.5 | Very low | 39.1 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -140.3 | 73.2 | 161.6 | -122.8 | -11.4 | 0 | 0 | 0 | 108.1 | G88 T92 | G88-N90 PolarHBondContact O-N 3.46Å; N90-T92 VanDerWaalsContact C-N 3.33Å; N90-T92 PolarHBondContact OD1-O 3.16Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å | ||
| 91 | G | 39.5 | Very low | 39.6 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -102 | 63.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 92 | T | 35.9 | Very low | 40 | Very low | 91 Ų | 91 | 127 Ų | 127 | 56% | 0.558 | 81% | 0.806 | S | S | * | * | trans | -162.1 | 132.1 | 178.9 | 24.5 | 0 | 0 | 0 | 0 | 102.3 | N90 | N90-T92 VanDerWaalsContact C-N 3.33Å; N90-T92 PolarHBondContact OD1-O 3.16Å; N90-T92 PolarHBondContact OD1-OG1 2.82Å | ||
| 93 | D | 42 | Very low | 40.5 | Very low | 120 Ų | 120 | 124 Ų | 124 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | cis | -164.5 | 151.5 | 10.9 | -143.4 | -53.7 | 0 | 0 | 0 | 103.9 | ||||
| 94 | E | 46.8 | Very low | 40.5 | Very low | 170 Ų | 170 | 123.5 Ų | 123.5 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 44.5 | 106.2 | 152.4 | -74.8 | 169.9 | 141.7 | 0 | 0 | 121.5 | ||||
| 95 | M | 37.3 | Very low | 40.1 | Very low | 269 Ų | 269 | 124.3 Ų | 124.3 | 100% | 1.325 | 81% | 0.811 | S | S | * | * | 169.4 | 0 | 117.9 | -91.8 | -175 | -177.3 | 0 | 0 | 111.9 |
Retrieved 95 of 95 residues in 33.3 ms
(Link to these results)