| 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 | 52.2 | Low | 49.5 | Very low | 179 Ų | 179 | 103.1 Ų | 103.1 | 88% | 0.882 | 54% | 0.542 | S | S | * | . | 0 | 112.2 | 0 | -74.7 | 171.9 | 155.5 | 0 | 0 | 107.5 | F3 | M1-F3 HydrophobicContact CB-CE2 4.16Š| |||
| 2 | V | 45.9 | Very low | 49.6 | Very low | 112 Ų | 112 | 99.8 Ų | 99.8 | 68% | 0.679 | 52% | 0.524 | S | S | * | . | trans | -97.6 | 123.4 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | V4 | V2-V4 HydrophobicContact CG1-CG2 4.04Š| ||
| 3 | F | 49.6 | Very low | 49.2 | Very low | 124 Ų | 124 | 96.8 Ų | 96.8 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.1 | 172.9 | -66.2 | -88.1 | 0 | 0 | 0 | 107.9 | M1 I49 | M1-F3 HydrophobicContact CB-CE2 4.16Å; F3-I49 HydrophobicContact CD1-CG1 4.17Å; F3-I49 HydrophobicContact CD1-CG2 4.41Å; F3-I49 HydrophobicContact CE1-CB 4.39Å; F3-I49 HydrophobicContact CE1-CG1 4.15Å; F3-I49 HydrophobicContact CE1-CG2 3.8Å |
| 4 | V | 45.9 | Very low | 49.3 | Very low | 73 Ų | 73 | 97.9 Ų | 97.9 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.3 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 107.3 | V2 I6 C48 | V2-V4 HydrophobicContact CG1-CG2 4.04Å; V4-I6 HydrophobicContact CG1-CD1 4.42Å; V4-I6 HydrophobicContact CG1-CG1 3.99Å; V4-C48 HydrophobicContact CB-CB 4.38Å; V4-C48 WeakPolarHBondContact O-CB 2.97Å; V4-C48 PolarHBondContact O-N 2.82Å |
| 5 | T | 54.8 | Low | 48.9 | Very low | 78 Ų | 78 | 96.4 Ų | 96.4 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.6 | 171.7 | -54.6 | 0 | 0 | 0 | 0 | 108.1 | I7 I45 Y46 V47 | T5-I7 HydrophobicContact CG2-CG1 4.18Å; T5-I45 HydrophobicContact CG2-CG2 3.82Å; T5-Y46 CarbonylContact C-O 3.56Å; T5-Y46 WeakPolarHBondContact CA-O 3.27Å; T5-V47 HydrophobicContact CG2-CG2 4.33Å |
| 6 | I | 48.3 | Very low | 49 | Very low | 84 Ų | 84 | 95.4 Ų | 95.4 | 43% | 0.431 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.4 | 174 | -57.4 | 175.2 | 0 | 0 | 0 | 107 | V4 I8 Y46 | V4-I6 HydrophobicContact CG1-CD1 4.42Å; V4-I6 HydrophobicContact CG1-CG1 3.99Å; I6-I8 HydrophobicContact CG2-CD1 4.46Å; I6-I8 HydrophobicContact CG2-CG1 4.01Å; I6-Y46 HydrophobicContact CB-CD1 4.36Å; I6-Y46 HydrophobicContact CD1-CD1 4.27Å; I6-Y46 HydrophobicContact CG1-CD1 4.44Å; I6-Y46 PolarHBondContact N-O 3.08Å; I6-Y46 WeakPolarHBondContact O-CB 3.36Å; I6-Y46 PolarHBondContact O-N 3.19Å |
| 7 | I | 54.1 | Low | 48.6 | Very low | 101 Ų | 101 | 97.8 Ų | 97.8 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.7 | 175.5 | -57.2 | 175.8 | 0 | 0 | 0 | 107.3 | T5 I9 I43 I45 | T5-I7 HydrophobicContact CG2-CG1 4.18Å; I7-I9 HydrophobicContact CG2-CG1 4.16Å; I7-I43 HydrophobicContact CG2-CG2 4.08Å; I7-I45 HydrophobicContact CG1-CG1 4.38Å; I7-I45 HydrophobicContact CG1-CG2 4.33Å; I7-I45 HydrophobicContact CG2-CG1 4.48Å |
| 8 | I | 49 | Very low | 48.2 | Very low | 93 Ų | 93 | 97.2 Ų | 97.2 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.1 | 174.2 | -55.8 | 177 | 0 | 0 | 0 | 107.5 | I6 I10 C44 | I6-I8 HydrophobicContact CG2-CD1 4.46Å; I6-I8 HydrophobicContact CG2-CG1 4.01Å; I8-I10 HydrophobicContact CG2-CD1 4.41Å; I8-I10 HydrophobicContact CG2-CG1 3.99Å; I8-C44 HydrophobicContact CB-CB 4.3Å; I8-C44 PolarHBondContact N-O 2.86Å; I8-C44 PolarHBondContact O-N 3.46Å |
| 9 | I | 50.6 | Low | 47.8 | Very low | 113 Ų | 113 | 99.9 Ų | 99.9 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.3 | 176.4 | -55.5 | 177.6 | 0 | 0 | 0 | 107.7 | I7 T41 F42 I43 | I7-I9 HydrophobicContact CG2-CG1 4.16Å; I9-T41 HydrophobicContact CG2-CG2 3.64Å; I9-F42 WeakPolarHBondContact CA-O 3.3Å; I9-I43 HydrophobicContact CG1-CG1 4.46Å; I9-I43 HydrophobicContact CG2-CG1 4.49Å |
| 10 | I | 52.3 | Low | 47.4 | Very low | 79 Ų | 79 | 104.2 Ų | 104.2 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.9 | 177.4 | -56 | 176.2 | 0 | 0 | 0 | 107.6 | I8 I12 F42 | I8-I10 HydrophobicContact CG2-CD1 4.41Å; I8-I10 HydrophobicContact CG2-CG1 3.99Å; I10-I12 HydrophobicContact CG2-CD1 4.29Å; I10-I12 HydrophobicContact CG2-CG1 3.88Å; I10-F42 HydrophobicContact CB-CB 4.38Å; I10-F42 PolarHBondContact N-O 3.12Å; I10-F42 PolarHBondContact O-N 2.88Å |
| 11 | N | 41.9 | Very low | 46.9 | Very low | 98 Ų | 98 | 104.9 Ų | 104.9 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.8 | 175.1 | -163 | -19.9 | 0 | 0 | 0 | 109.1 | F40 | N11-F40 CarbonylContact C-O 3.58Å; N11-F40 WeakPolarHBondContact CA-O 3.5Å; N11-F40 PolarHBondContact OD1-O 2.93Å |
| 12 | I | 51 | Low | 46.4 | Very low | 63 Ų | 63 | 103.3 Ų | 103.3 | 32% | 0.323 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.9 | 178.2 | -39.3 | -178.7 | 0 | 0 | 0 | 108.6 | I10 Y14 F40 F42 | I10-I12 HydrophobicContact CG2-CD1 4.29Å; I10-I12 HydrophobicContact CG2-CG1 3.88Å; I12-Y14 HydrophobicContact CB-CE1 4.13Å; I12-Y14 HydrophobicContact CB-CE2 4.41Å; I12-Y14 WeakPolarHBondContact CB-OH 3.46Å; I12-Y14 HydrophobicContact CG2-CD1 4Å; I12-Y14 HydrophobicContact CG2-CE1 3.13Å; I12-Y14 HydrophobicContact CG2-CE2 4.24Å; I12-Y14 VanDerWaalsContact CG2-OH 3.23Å; I12-Y14 WeakPolarHBondContact CG2-OH 3.44Å; I12-F40 PolarHBondContact N-O 3.28Å; I12-F40 PolarHBondContact O-N 2.9Å; I12-F42 HydrophobicContact CD1-CD2 4.08Å; I12-F42 HydrophobicContact CD1-CE2 3.75Å; I12-F42 HydrophobicContact CG1-CD2 4.14Å; I12-F42 HydrophobicContact CG1-CE2 4.03Å |
| 13 | S | 44.3 | Very low | 46 | Very low | 61 Ų | 61 | 105.3 Ų | 105.3 | 43% | 0.427 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.4 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 110.7 | A38 S39 | S13-A38 CarbonylContact C-O 3.59Å; S13-A38 WeakPolarHBondContact CA-O 3.47Å; S13-S39 VanDerWaalsContact OG-CB 3.27Å; S13-S39 WeakPolarHBondContact OG-CB 3.27Å |
| 14 | Y | 49.6 | Very low | 45.5 | Very low | 112 Ų | 112 | 107.3 Ų | 107.3 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.9 | 176.9 | -28.7 | -85.6 | 0 | 0 | 0 | 110.1 | I12 A38 F40 | I12-Y14 HydrophobicContact CB-CE1 4.13Å; I12-Y14 HydrophobicContact CB-CE2 4.41Å; I12-Y14 WeakPolarHBondContact CB-OH 3.46Å; I12-Y14 HydrophobicContact CG2-CD1 4Å; I12-Y14 HydrophobicContact CG2-CE1 3.13Å; I12-Y14 HydrophobicContact CG2-CE2 4.24Å; I12-Y14 VanDerWaalsContact CG2-OH 3.23Å; I12-Y14 WeakPolarHBondContact CG2-OH 3.44Å; Y14-A38 PolarHBondContact N-O 2.84Å; Y14-A38 PolarHBondContact O-N 3.11Å; Y14-A38 VanDerWaalsContact O-O 3.07Å; Y14-F40 AromaticContact CD2-CD2 3.6Å; Y14-F40 HydrophobicContact CD2-CD2 3.6Å; Y14-F40 AromaticContact CD2-CE2 3.63Å; Y14-F40 HydrophobicContact CD2-CE2 3.63Å; Y14-F40 AromaticContact CE2-CD2 3.27Å; Y14-F40 HydrophobicContact CE2-CD2 3.27Å; Y14-F40 AromaticContact CE2-CE2 3.62Å; Y14-F40 HydrophobicContact CE2-CE2 3.62Å; Y14-F40 HydrophobicContact CE2-CG 4.27Å |
| 15 | N | 44.5 | Very low | 45.4 | Very low | 76 Ų | 76 | 111.6 Ų | 111.6 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 122.3 | 168.6 | -76.4 | -14.9 | 0 | 0 | 0 | 109 | Y17 K37 | N15-Y17 HydrophobicContact CB-CE1 4.34Å; N15-Y17 HydrophobicContact CB-CE2 4.03Å; N15-K37 WeakPolarHBondContact OD1-CG 3.46Å |
| 16 | I | 49.6 | Very low | 44.8 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 42% | 0.415 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.7 | 170.1 | -56.1 | 175.1 | 0 | 0 | 0 | 107.3 | K36 A38 | I16-K36 PolarHBondContact N-O 2.88Å; I16-K36 PolarHBondContact O-N 3.16Å; I16-K36 VanDerWaalsContact O-N 3.1Å; I16-A38 HydrophobicContact CD1-CB 3.74Å; I16-A38 HydrophobicContact CG1-CB 4.17Å |
| 17 | Y | 43.2 | Very low | 44.2 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.7 | 171.8 | -56.1 | -74 | 0 | 0 | 0 | 108.3 | N15 I19 L33 | N15-Y17 HydrophobicContact CB-CE1 4.34Å; N15-Y17 HydrophobicContact CB-CE2 4.03Å; Y17-I19 PolarHBondContact O-N 3.08Å; Y17-L33 HydrophobicContact CD1-CD2 3.41Å; Y17-L33 VanDerWaalsContact CD1-CD2 3.41Å; Y17-L33 HydrophobicContact CE1-CD2 4.01Å; Y17-L33 HydrophobicContact CG-CD2 4.25Å |
| 18 | N | 40.5 | Very low | 43.1 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | trans | -79.9 | 116.6 | 169.1 | -78.3 | 1.6 | 0 | 0 | 0 | 108.5 | Y20 | N18-Y20 HydrophobicContact CB-CD2 4.07Å; N18-Y20 HydrophobicContact CB-CE2 3.53Å; N18-Y20 PolarHBondContact ND2-OH 2.82Å; N18-Y20 VanDerWaalsContact ND2-OH 3.13Å | ||
| 19 | I | 41.5 | Very low | 42.2 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | trans | -91.4 | 106.9 | 169.7 | -59.2 | 172.2 | 0 | 0 | 0 | 106.5 | Y17 | Y17-I19 PolarHBondContact O-N 3.08Š| ||
| 20 | Y | 39 | Very low | 41.2 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 72% | 0.722 | 64% | 0.643 | S | S | * | * | trans | -95.8 | 108.3 | 169 | -67.6 | -79.2 | 0 | 0 | 0 | 108.7 | N18 I22 | N18-Y20 HydrophobicContact CB-CD2 4.07Å; N18-Y20 HydrophobicContact CB-CE2 3.53Å; N18-Y20 PolarHBondContact ND2-OH 2.82Å; N18-Y20 VanDerWaalsContact ND2-OH 3.13Å; Y20-I22 PolarHBondContact O-N 2.69Å | ||
| 21 | T | 37.3 | Very low | 40.3 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | trans | -84.2 | 96.9 | 165.1 | 28.9 | 0 | 0 | 0 | 0 | 108.5 | N23 | T21-N23 PolarHBondContact O-N 3.03Š| ||
| 22 | I | 41.5 | Very low | 39.9 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 74% | 0.744 | 67% | 0.674 | S | S | * | * | trans | -88 | 101.7 | 168.6 | -63.8 | 167 | 0 | 0 | 0 | 107.3 | Y20 E24 | Y20-I22 PolarHBondContact O-N 2.69Å; I22-E24 PolarHBondContact O-N 2.83Å | ||
| 23 | N | 37.9 | Very low | 39.2 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | trans | -85.5 | 80.1 | 170.9 | -82 | -8.7 | 0 | 0 | 0 | 109.1 | T21 | T21-N23 PolarHBondContact O-N 3.03Š| ||
| 24 | E | 39.6 | Very low | 38.9 | Very low | 167 Ų | 167 | 143 Ų | 143 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | trans | -121.3 | 124.9 | 156.2 | -79.1 | -164.6 | 162.6 | 0 | 0 | 109.8 | I22 R26 | I22-E24 PolarHBondContact O-N 2.83Å; E24-R26 PolarHBondContact O-N 3.07Å | ||
| 25 | N | 42.7 | Very low | 38.4 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -22.6 | 114.9 | -176.1 | -67.5 | -34.8 | 0 | 0 | 0 | 115.3 | ||
| 26 | R | 42.1 | Very low | 38.6 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | 1.8 | 153.9 | -75.3 | -175.3 | 171.8 | 173 | -1.6 | 121.2 | E24 | E24-R26 PolarHBondContact O-N 3.07Š|
| 27 | F | 35.9 | Very low | 38.5 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 77% | 0.768 | 72% | 0.72 | S | S | * | * | trans | -131.3 | 95.5 | 170.3 | -75.3 | -84.2 | 0 | 0 | 0 | 112 | F29 | F27-F29 VanDerWaalsContact C-N 3.26Å; F27-F29 PolarHBondContact O-N 3.32Å | ||
| 28 | T | 30.1 | Very low | 39 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -69.4 | 83.7 | 168.7 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | N30 | T28-N30 PolarHBondContact O-N 3.18Š| ||
| 29 | F | 31.5 | Very low | 39.3 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 80% | 0.803 | 69% | 0.692 | S | S | * | * | trans | -82.6 | 105.6 | 161 | -109.4 | -91.9 | 0 | 0 | 0 | 107.6 | F27 A31 | F27-F29 VanDerWaalsContact C-N 3.26Å; F27-F29 PolarHBondContact O-N 3.32Å; F29-A31 PolarHBondContact O-N 2.93Å | ||
| 30 | N | 30.1 | Very low | 39.8 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 67% | 0.665 | S | S | * | * | trans | -67.4 | 79.3 | 167.7 | -72.8 | -21.3 | 0 | 0 | 0 | 108.3 | T28 F32 | T28-N30 PolarHBondContact O-N 3.18Å; N30-F32 PolarHBondContact O-N 2.85Å; N30-F32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | A | 33 | Very low | 40 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 76% | 0.76 | 64% | 0.637 | S | S | * | * | trans | -63.1 | 117.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | F29 L33 | F29-A31 PolarHBondContact O-N 2.93Å; A31-L33 PolarHBondContact O-N 3Å | ||
| 32 | F | 33.3 | Very low | 40.7 | Very low | 190 Ų | 190 | 122.6 Ų | 122.6 | 83% | 0.833 | 61% | 0.612 | S | S | * | * | trans | -63.9 | 117.6 | -164.1 | -137.6 | -102.9 | 0 | 0 | 0 | 112.6 | N30 Q34 | N30-F32 PolarHBondContact O-N 2.85Å; N30-F32 VanDerWaalsContact O-N 3.16Å; F32-Q34 PolarHBondContact O-N 3Å | ||
| 33 | L | 36 | Very low | 40.9 | Very low | 111 Ų | 111 | 118 Ų | 118 | 58% | 0.581 | 59% | 0.588 | S | S | * | * | trans | 12.2 | 87.7 | 145.8 | -76.3 | 149.4 | 0 | 0 | 0 | 117 | Y17 A31 S35 | Y17-L33 HydrophobicContact CD1-CD2 3.41Å; Y17-L33 VanDerWaalsContact CD1-CD2 3.41Å; Y17-L33 HydrophobicContact CE1-CD2 4.01Å; Y17-L33 HydrophobicContact CG-CD2 4.25Å; A31-L33 PolarHBondContact O-N 3Å; L33-S35 PolarHBondContact O-N 3.2Å | ||
| 34 | Q | 37.7 | Very low | 41.5 | Very low | 151 Ų | 151 | 112.2 Ų | 112.2 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | trans | -81.5 | 92.4 | 153 | -163.1 | 175.1 | 25.3 | 0 | 0 | 108 | F32 K36 | F32-Q34 PolarHBondContact O-N 3Å; Q34-K36 PolarHBondContact O-N 2.96Å | ||
| 35 | S | 40.3 | Very low | 42 | Very low | 64 Ų | 64 | 106.3 Ų | 106.3 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 115.8 | 169.4 | 60 | 0 | 0 | 0 | 0 | 108.5 | L33 | L33-S35 PolarHBondContact O-N 3.2Å |
| 36 | K | 47 | Very low | 42.1 | Very low | 126 Ų | 126 | 100.2 Ų | 100.2 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 111 | 168.4 | -76.9 | -173.3 | 178.2 | -179.4 | 0 | 107.4 | I16 Q34 A38 | I16-K36 PolarHBondContact N-O 2.88Å; I16-K36 PolarHBondContact O-N 3.16Å; I16-K36 VanDerWaalsContact O-N 3.1Å; Q34-K36 PolarHBondContact O-N 2.96Å; K36-A38 PolarHBondContact O-N 2.79Å |
| 37 | K | 47.2 | Very low | 42.5 | Very low | 156 Ų | 156 | 90.4 Ų | 90.4 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 113.5 | 171.5 | -170.3 | 173.2 | -176.6 | 179.8 | 0 | 108.2 | N15 | N15-K37 WeakPolarHBondContact OD1-CG 3.46Å |
| 38 | A | 54.1 | Low | 42.9 | Very low | 14 Ų | 14 | 83.5 Ų | 83.5 | 12% | 0.116 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S13 Y14 I16 K36 F40 | S13-A38 CarbonylContact C-O 3.59Å; S13-A38 WeakPolarHBondContact CA-O 3.47Å; Y14-A38 PolarHBondContact N-O 2.84Å; Y14-A38 PolarHBondContact O-N 3.11Å; Y14-A38 VanDerWaalsContact O-O 3.07Å; I16-A38 HydrophobicContact CD1-CB 3.74Å; I16-A38 HydrophobicContact CG1-CB 4.17Å; K36-A38 PolarHBondContact O-N 2.79Å; A38-F40 HydrophobicContact CB-CE2 3.89Å; A38-F40 HydrophobicContact CB-CZ 4.33Å |
| 39 | S | 47.5 | Very low | 43.9 | Very low | 44 Ų | 44 | 80.5 Ų | 80.5 | 31% | 0.308 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.3 | 173.1 | 55 | 0 | 0 | 0 | 0 | 110.6 | S13 | S13-S39 VanDerWaalsContact OG-CB 3.27Å; S13-S39 WeakPolarHBondContact OG-CB 3.27Å |
| 40 | F | 52.8 | Low | 44.3 | Very low | 43 Ų | 43 | 75.4 Ų | 75.4 | 19% | 0.189 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.4 | -180 | -63.5 | -87.5 | 0 | 0 | 0 | 108.8 | N11 I12 Y14 A38 F42 | N11-F40 CarbonylContact C-O 3.58Å; N11-F40 WeakPolarHBondContact CA-O 3.5Å; N11-F40 PolarHBondContact OD1-O 2.93Å; I12-F40 PolarHBondContact N-O 3.28Å; I12-F40 PolarHBondContact O-N 2.9Å; Y14-F40 AromaticContact CD2-CD2 3.6Å; Y14-F40 HydrophobicContact CD2-CD2 3.6Å; Y14-F40 AromaticContact CD2-CE2 3.63Å; Y14-F40 HydrophobicContact CD2-CE2 3.63Å; Y14-F40 AromaticContact CE2-CD2 3.27Å; Y14-F40 HydrophobicContact CE2-CD2 3.27Å; Y14-F40 AromaticContact CE2-CE2 3.62Å; Y14-F40 HydrophobicContact CE2-CE2 3.62Å; Y14-F40 HydrophobicContact CE2-CG 4.27Å; A38-F40 HydrophobicContact CB-CE2 3.89Å; A38-F40 HydrophobicContact CB-CZ 4.33Å; F40-F42 HydrophobicContact CB-CE2 3.9Å; F40-F42 HydrophobicContact CB-CZ 4.3Å |
| 41 | T | 43.1 | Very low | 44.8 | Very low | 23 Ų | 23 | 69.6 Ų | 69.6 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.6 | 172.7 | -50.6 | 0 | 0 | 0 | 0 | 109.1 | I9 I43 T64 | I9-T41 HydrophobicContact CG2-CG2 3.64Å; T41-I43 HydrophobicContact CG2-CG1 4.42Å; T41-T64 PolarHBondContact O-OG1 3.4Å |
| 42 | F | 50.5 | Low | 45.4 | Very low | 47 Ų | 47 | 68.6 Ų | 68.6 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127 | 170.8 | -60.5 | -86.5 | 0 | 0 | 0 | 108.4 | I9 I10 I12 F40 L61 | I9-F42 WeakPolarHBondContact CA-O 3.3Å; I10-F42 HydrophobicContact CB-CB 4.38Å; I10-F42 PolarHBondContact N-O 3.12Å; I10-F42 PolarHBondContact O-N 2.88Å; I12-F42 HydrophobicContact CD1-CD2 4.08Å; I12-F42 HydrophobicContact CD1-CE2 3.75Å; I12-F42 HydrophobicContact CG1-CD2 4.14Å; I12-F42 HydrophobicContact CG1-CE2 4.03Å; F40-F42 HydrophobicContact CB-CE2 3.9Å; F40-F42 HydrophobicContact CB-CZ 4.3Å; F42-L61 HydrophobicContact CD1-CD2 4.06Å |
| 43 | I | 47.4 | Very low | 46 | Very low | 47 Ų | 47 | 68 Ų | 68 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 113.6 | 172.9 | -58.3 | 171.2 | 0 | 0 | 0 | 107 | I7 I9 T41 I45 F62 | I7-I43 HydrophobicContact CG2-CG2 4.08Å; I9-I43 HydrophobicContact CG1-CG1 4.46Å; I9-I43 HydrophobicContact CG2-CG1 4.49Å; T41-I43 HydrophobicContact CG2-CG1 4.42Å; I43-I45 HydrophobicContact CG2-CG1 4.01Å; I43-F62 HydrophobicContact CB-CB 4.38Å; I43-F62 PolarHBondContact N-O 3.06Å; I43-F62 VanDerWaalsContact N-O 3.08Å; I43-F62 PolarHBondContact O-N 3.13Å |
| 44 | C | 49.4 | Very low | 46.1 | Very low | 33 Ų | 33 | 69.3 Ų | 69.3 | 22% | 0.223 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 111.9 | 173.8 | -66.3 | 0 | 0 | 0 | 0 | 108.2 | I8 I60 | I8-C44 HydrophobicContact CB-CB 4.3Å; I8-C44 PolarHBondContact N-O 2.86Å; I8-C44 PolarHBondContact O-N 3.46Å; C44-I60 WeakPolarHBondContact CA-O 3.42Å |
| 45 | I | 49.7 | Very low | 46.3 | Very low | 43 Ų | 43 | 65.8 Ų | 65.8 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.8 | 171.4 | -53 | -174.9 | 0 | 0 | 0 | 107.4 | T5 I7 I43 V47 I60 F62 | T5-I45 HydrophobicContact CG2-CG2 3.82Å; I7-I45 HydrophobicContact CG1-CG1 4.38Å; I7-I45 HydrophobicContact CG1-CG2 4.33Å; I7-I45 HydrophobicContact CG2-CG1 4.48Å; I43-I45 HydrophobicContact CG2-CG1 4.01Å; I45-V47 HydrophobicContact CG2-CG2 3.85Å; I45-I60 PolarHBondContact N-O 3.32Å; I45-I60 PolarHBondContact O-N 3.48Å; I45-I60 VanDerWaalsContact O-N 3.11Å; I45-F62 HydrophobicContact CD1-CD2 4.24Å; I45-F62 HydrophobicContact CD1-CE2 3.84Å; I45-F62 HydrophobicContact CG1-CD2 4.39Å; I45-F62 HydrophobicContact CG1-CE2 4.31Å |
| 46 | Y | 45.8 | Very low | 46.3 | Very low | 35 Ų | 35 | 65.9 Ų | 65.9 | 14% | 0.137 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 111.8 | 172.2 | -178.3 | -101 | 0 | 0 | 0 | 108.3 | T5 I6 C48 W57 Y59 | T5-Y46 CarbonylContact C-O 3.56Å; T5-Y46 WeakPolarHBondContact CA-O 3.27Å; I6-Y46 HydrophobicContact CB-CD1 4.36Å; I6-Y46 HydrophobicContact CD1-CD1 4.27Å; I6-Y46 HydrophobicContact CG1-CD1 4.44Å; I6-Y46 PolarHBondContact N-O 3.08Å; I6-Y46 WeakPolarHBondContact O-CB 3.36Å; I6-Y46 PolarHBondContact O-N 3.19Å; Y46-C48 HydrophobicContact CE1-CB 3.78Å; Y46-W57 HydrophobicContact CE2-CB 4.2Å; Y46-W57 HydrophobicContact CE2-CD2 4.15Å; Y46-W57 AromaticContact CE2-CE3 3.53Å; Y46-W57 HydrophobicContact CE2-CE3 3.53Å; Y46-W57 HydrophobicContact CE2-CG 4.47Å; Y46-W57 HydrophobicContact CE2-CZ3 4.18Å; Y46-W57 AromaticContact CZ-CD2 3.93Å; Y46-W57 AromaticContact CZ-CE3 3.47Å; Y46-W57 VanDerWaalsContact CZ-CE3 3.47Å; Y46-W57 AromaticContact CZ-CZ3 3.84Å; Y46-W57 VanDerWaalsContact OH-CZ3 3.27Å; Y46-W57 WeakPolarHBondContact OH-CZ3 3.46Å; Y46-Y59 HydrophobicContact CD2-CD1 4.37Å; Y46-Y59 HydrophobicContact CD2-CE1 4.2Å; Y46-Y59 HydrophobicContact CE2-CE1 4.45Å |
| 47 | V | 50 | Low | 45.9 | Very low | 34 Ų | 34 | 66.7 Ų | 66.7 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 113.3 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 107.7 | T5 I45 I49 | T5-V47 HydrophobicContact CG2-CG2 4.33Å; I45-V47 HydrophobicContact CG2-CG2 3.85Å; V47-I49 HydrophobicContact CG1-CD1 4.3Å; V47-I49 HydrophobicContact CG1-CG1 3.81Å |
| 48 | C | 45.3 | Very low | 45.7 | Very low | 31 Ų | 31 | 60.4 Ų | 60.4 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 109 | 170.2 | -166.9 | 0 | 0 | 0 | 0 | 108.5 | V4 Y46 | V4-C48 HydrophobicContact CB-CB 4.38Å; V4-C48 WeakPolarHBondContact O-CB 2.97Å; V4-C48 PolarHBondContact O-N 2.82Å; Y46-C48 HydrophobicContact CE1-CB 3.78Å |
| 49 | I | 49.2 | Very low | 44.9 | Very low | 74 Ų | 74 | 66.8 Ų | 66.8 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 108.9 | 173 | -56.3 | 176.6 | 0 | 0 | 0 | 107.2 | F3 V47 | F3-I49 HydrophobicContact CD1-CG1 4.17Å; F3-I49 HydrophobicContact CD1-CG2 4.41Å; F3-I49 HydrophobicContact CE1-CB 4.39Å; F3-I49 HydrophobicContact CE1-CG1 4.15Å; F3-I49 HydrophobicContact CE1-CG2 3.8Å; V47-I49 HydrophobicContact CG1-CD1 4.3Å; V47-I49 HydrophobicContact CG1-CG1 3.81Å |
| 50 | S | 41 | Very low | 44.7 | Very low | 75 Ų | 75 | 66.3 Ų | 66.3 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 96.1 | 168.5 | -175 | 0 | 0 | 0 | 0 | 109 | ||
| 51 | G | 40.4 | Very low | 43.8 | Very low | 28 Ų | 28 | 68 Ų | 68 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | trans | -140.7 | 114.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 52 | G | 46.7 | Very low | 43.9 | Very low | 71 Ų | 71 | 69.2 Ų | 69.2 | 73% | 0.732 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 65.4 | 92.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | M54 | G52-M54 PolarHBondContact O-N 2.85Š|
| 53 | N | 44.9 | Very low | 43.2 | Very low | 178 Ų | 178 | 71.5 Ų | 71.5 | 95% | 0.952 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 42.8 | 0.1 | 167.5 | -79.1 | 6.2 | 0 | 0 | 0 | 121.6 | ||
| 54 | M | 38.9 | Very low | 42.8 | Very low | 138 Ų | 138 | 72.3 Ų | 72.3 | 68% | 0.68 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -143.4 | 128.5 | 173.8 | -75.5 | -173.4 | 157.2 | 0 | 0 | 111.2 | G52 L56 | G52-M54 PolarHBondContact O-N 2.85Å; M54-L56 PolarHBondContact O-N 3.09Å |
| 55 | P | 40.5 | Very low | 42.1 | Very low | 78 Ų | 78 | 74.1 Ų | 74.1 | 51% | 0.506 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120 | 172.4 | 29 | -32.3 | 0 | 0 | 0 | 109.2 | W57 | P55-W57 VanDerWaalsContact O-CD1 3.27Å |
| 56 | L | 41.8 | Very low | 41.1 | Very low | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 111.5 | 167.3 | -85.8 | 124.3 | 0 | 0 | 0 | 108.6 | M54 N87 I89 | M54-L56 PolarHBondContact O-N 3.09Å; L56-N87 HydrophobicContact CD2-CB 4.36Å; L56-I89 HydrophobicContact CD2-CD1 3.66Å |
| 57 | W | 38.2 | Very low | 40.5 | Very low | 143 Ų | 143 | 80.8 Ų | 80.8 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 104.9 | 176.5 | -60.1 | 58.6 | 0 | 0 | 0 | 107.9 | Y46 P55 Y59 | Y46-W57 HydrophobicContact CE2-CB 4.2Å; Y46-W57 HydrophobicContact CE2-CD2 4.15Å; Y46-W57 AromaticContact CE2-CE3 3.53Å; Y46-W57 HydrophobicContact CE2-CE3 3.53Å; Y46-W57 HydrophobicContact CE2-CG 4.47Å; Y46-W57 HydrophobicContact CE2-CZ3 4.18Å; Y46-W57 AromaticContact CZ-CD2 3.93Å; Y46-W57 AromaticContact CZ-CE3 3.47Å; Y46-W57 VanDerWaalsContact CZ-CE3 3.47Å; Y46-W57 AromaticContact CZ-CZ3 3.84Å; Y46-W57 VanDerWaalsContact OH-CZ3 3.27Å; Y46-W57 WeakPolarHBondContact OH-CZ3 3.46Å; P55-W57 VanDerWaalsContact O-CD1 3.27Å; W57-Y59 HydrophobicContact CB-CE2 4.48Å |
| 58 | A | 42.6 | Very low | 40.1 | Very low | 23 Ų | 23 | 85.5 Ų | 85.5 | 19% | 0.19 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 59 | Y | 36.6 | Very low | 39.7 | Very low | 149 Ų | 149 | 88.7 Ų | 88.7 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.9 | 170.3 | -65.7 | -87.5 | 0 | 0 | 0 | 108.5 | Y46 W57 | Y46-Y59 HydrophobicContact CD2-CD1 4.37Å; Y46-Y59 HydrophobicContact CD2-CE1 4.2Å; Y46-Y59 HydrophobicContact CE2-CE1 4.45Å; W57-Y59 HydrophobicContact CB-CE2 4.48Å |
| 60 | I | 43.8 | Very low | 38.9 | Very low | 34 Ų | 34 | 87.8 Ų | 87.8 | 17% | 0.174 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 110.4 | 170.1 | -49.6 | 175.8 | 0 | 0 | 0 | 107.5 | C44 I45 F62 | C44-I60 WeakPolarHBondContact CA-O 3.42Å; I45-I60 PolarHBondContact N-O 3.32Å; I45-I60 PolarHBondContact O-N 3.48Å; I45-I60 VanDerWaalsContact O-N 3.11Å; I60-F62 HydrophobicContact CB-CE2 4.15Å; I60-F62 HydrophobicContact CG2-CD2 3.79Å; I60-F62 HydrophobicContact CG2-CE1 4.29Å; I60-F62 HydrophobicContact CG2-CE2 3.21Å; I60-F62 HydrophobicContact CG2-CZ 3.51Å |
| 61 | L | 35.1 | Very low | 38.5 | Very low | 78 Ų | 78 | 89.8 Ų | 89.8 | 41% | 0.408 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 107 | 177.1 | -166.9 | 145.9 | 0 | 0 | 0 | 108.3 | F42 F78 | F42-L61 HydrophobicContact CD1-CD2 4.06Å; L61-F78 HydrophobicContact CD2-CE2 4.36Å |
| 62 | F | 43.9 | Very low | 38 | Very low | 49 Ų | 49 | 91.8 Ų | 91.8 | 22% | 0.215 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.1 | 173 | -66.9 | -85.1 | 0 | 0 | 0 | 109.4 | I43 I45 I60 F93 | I43-F62 HydrophobicContact CB-CB 4.38Å; I43-F62 PolarHBondContact N-O 3.06Å; I43-F62 VanDerWaalsContact N-O 3.08Å; I43-F62 PolarHBondContact O-N 3.13Å; I45-F62 HydrophobicContact CD1-CD2 4.24Å; I45-F62 HydrophobicContact CD1-CE2 3.84Å; I45-F62 HydrophobicContact CG1-CD2 4.39Å; I45-F62 HydrophobicContact CG1-CE2 4.31Å; I60-F62 HydrophobicContact CB-CE2 4.15Å; I60-F62 HydrophobicContact CG2-CD2 3.79Å; I60-F62 HydrophobicContact CG2-CE1 4.29Å; I60-F62 HydrophobicContact CG2-CE2 3.21Å; I60-F62 HydrophobicContact CG2-CZ 3.51Å; F62-F93 HydrophobicContact CE1-CB 3.63Å; F62-F93 WeakPolarHBondContact CE1-O 3.43Å; F62-F93 HydrophobicContact CZ-CB 3.88Å |
| 63 | R | 36.1 | Very low | 37.3 | Very low | 95 Ų | 95 | 92.9 Ų | 92.9 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 103.3 | 165.1 | -176.7 | -177.7 | -175.5 | -178.9 | 3.4 | 107.9 | F65 | R63-F65 HydrophobicContact CG-CD2 4.26Å; R63-F65 HydrophobicContact CG-CE2 4.19Å; R63-F65 VanDerWaalsContact CZ-CE1 3.49Å; R63-F65 VanDerWaalsContact NE-CZ 3.32Å; R63-F65 VanDerWaalsContact NH1-CZ 3.34Å; R63-F65 VanDerWaalsContact NH2-CE1 3.28Å |
| 64 | T | 39.8 | Very low | 36.6 | Very low | 64 Ų | 64 | 87.4 Ų | 87.4 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.6 | 165.6 | 42.9 | 0 | 0 | 0 | 0 | 108.3 | T41 L66 | T41-T64 PolarHBondContact O-OG1 3.4Å; T64-L66 PolarHBondContact O-N 3.25Å; T64-L66 VanDerWaalsContact O-N 3.12Å |
| 65 | F | 33.2 | Very low | 36.2 | Very low | 70 Ų | 70 | 84.5 Ų | 84.5 | 31% | 0.307 | 47% | 0.465 | S | S | . | . | trans | -67.4 | 105 | 166.4 | -77.7 | -95.2 | 0 | 0 | 0 | 108.2 | R63 H67 S74 | R63-F65 HydrophobicContact CG-CD2 4.26Å; R63-F65 HydrophobicContact CG-CE2 4.19Å; R63-F65 VanDerWaalsContact CZ-CE1 3.49Å; R63-F65 VanDerWaalsContact NE-CZ 3.32Å; R63-F65 VanDerWaalsContact NH1-CZ 3.34Å; R63-F65 VanDerWaalsContact NH2-CE1 3.28Å; F65-H67 PolarHBondContact O-N 2.86Å; F65-S74 VanDerWaalsContact CE2-OG 3.3Å; F65-S74 WeakPolarHBondContact CE2-OG 3.23Å | ||
| 66 | L | 30 | Very low | 35.6 | Very low | 125 Ų | 125 | 85.3 Ų | 85.3 | 65% | 0.654 | 47% | 0.465 | S | S | * | . | trans | -87.2 | 66.4 | 153.8 | -107.6 | 140 | 0 | 0 | 0 | 107.2 | T64 | T64-L66 PolarHBondContact O-N 3.25Å; T64-L66 VanDerWaalsContact O-N 3.12Å | ||
| 67 | H | 33.3 | Very low | 35 | Very low | 94 Ų | 94 | 85.9 Ų | 85.9 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | trans | -104.9 | 118.7 | 160.9 | -166.6 | -89 | 0 | 0 | 0 | 107.3 | F65 S69 | F65-H67 PolarHBondContact O-N 2.86Å; H67-S69 PolarHBondContact CE1-OG 3.12Å; H67-S69 VanDerWaalsContact CE1-OG 3.23Å; H67-S69 PolarHBondContact ND1-OG 3.29Å; H67-S69 PolarHBondContact O-N 2.85Å | ||
| 68 | P | 39.9 | Very low | 34.5 | Very low | 132 Ų | 132 | 86 Ų | 86 | 86% | 0.857 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 19.7 | -171.7 | 26.4 | -33.3 | 0 | 0 | 0 | 115.5 | ||
| 69 | S | 37.2 | Very low | 33.8 | Very low | 98 Ų | 98 | 96.1 Ų | 96.1 | 69% | 0.685 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.6 | 16.3 | -178.5 | 75.7 | 0 | 0 | 0 | 0 | 117.6 | H67 | H67-S69 PolarHBondContact CE1-OG 3.12Å; H67-S69 VanDerWaalsContact CE1-OG 3.23Å; H67-S69 PolarHBondContact ND1-OG 3.29Å; H67-S69 PolarHBondContact O-N 2.85Å |
| 70 | S | 34 | Very low | 33.3 | Very low | 56 Ų | 56 | 98 Ų | 98 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | trans | -146.3 | 104.9 | 171.1 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | S72 | S70-S72 PolarHBondContact O-N 2.79Š| ||
| 71 | S | 31 | Very low | 32.4 | Very low | 117 Ų | 117 | 105 Ų | 105 | 82% | 0.818 | 55% | 0.549 | S | S | * | . | trans | -64.6 | 21.7 | 175.2 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | N73 | S71-N73 PolarHBondContact O-N 3.31Å; S71-N73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | S | 30.9 | Very low | 31.9 | Very low | 70 Ų | 70 | 107.9 Ų | 107.9 | 49% | 0.49 | 57% | 0.565 | S | S | . | * | trans | -85.4 | 85.6 | -178.4 | 48.2 | 0 | 0 | 0 | 0 | 110.5 | S70 S74 | S70-S72 PolarHBondContact O-N 2.79Å; S72-S74 PolarHBondContact O-N 2.76Å | ||
| 73 | N | 31.1 | Very low | 31.2 | Very low | 93 Ų | 93 | 114.4 Ų | 114.4 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | trans | -62.7 | 101.6 | 167.1 | -65 | -34.5 | 0 | 0 | 0 | 109 | S71 H96 | S71-N73 PolarHBondContact O-N 3.31Å; S71-N73 VanDerWaalsContact O-N 3.12Å; N73-H96 PolarHBondContact ND2-CD2 2.76Å | ||
| 74 | S | 29.9 | Very low | 30.7 | Very low | 63 Ų | 63 | 116.5 Ų | 116.5 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | trans | -98.2 | 119.1 | 172.7 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | F65 S72 L76 | F65-S74 VanDerWaalsContact CE2-OG 3.3Å; F65-S74 WeakPolarHBondContact CE2-OG 3.23Å; S72-S74 PolarHBondContact O-N 2.76Å; S74-L76 PolarHBondContact O-N 3.23Å | ||
| 75 | V | 32 | Very low | 30.1 | Very low | 78 Ų | 78 | 123.7 Ų | 123.7 | 47% | 0.473 | 64% | 0.635 | S | S | . | * | trans | -77.9 | 110.9 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | A92 C94 | V75-A92 HydrophobicContact CG1-CB 3.83Å; V75-C94 HydrophobicContact CG2-CB 4.43Å | ||
| 76 | L | 28 | Very low | 29.7 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 50% | 0.497 | 66% | 0.662 | S | S | . | * | trans | -88.1 | 107.7 | 171.4 | -106.8 | 150.4 | 0 | 0 | 0 | 109 | S74 F78 | S74-L76 PolarHBondContact O-N 3.23Å; L76-F78 HydrophobicContact CB-CE2 4.39Å | ||
| 77 | C | 28 | Very low | 29.5 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 52% | 0.52 | 66% | 0.661 | S | S | . | * | trans | -85.9 | 113.7 | 173.6 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 78 | F | 29 | Very low | 29 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | trans | -87.1 | 119.5 | 170.1 | -73.3 | -84.1 | 0 | 0 | 0 | 110.2 | L61 L76 | L61-F78 HydrophobicContact CD2-CE2 4.36Å; L76-F78 HydrophobicContact CB-CE2 4.39Å | ||
| 79 | R | 26.1 | Very low | 28.6 | Very low | 235 Ų | 235 | 133.3 Ų | 133.3 | 89% | 0.887 | 66% | 0.663 | S | S | * | * | trans | -83.1 | 110.2 | 164.4 | -175 | 177.1 | -178 | 173 | -0.5 | 107 | H81 | R79-H81 PolarHBondContact O-N 2.84Š| ||
| 80 | R | 27.4 | Very low | 28 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | trans | -63.4 | 121.7 | 177.7 | -159.8 | 178.3 | -173.1 | 172.7 | 0.7 | 109.1 | N82 | R80-N82 PolarHBondContact O-N 3.31Š| ||
| 81 | H | 24.2 | Very low | 27.9 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | trans | -88.9 | 81.7 | 173.9 | -156.8 | -69.9 | 0 | 0 | 0 | 108.4 | R79 | R79-H81 PolarHBondContact O-N 2.84Š| ||
| 82 | N | 24.1 | Very low | 27.6 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -162.8 | 117.8 | 140.8 | -114.3 | 0.2 | 0 | 0 | 0 | 108.7 | R80 D84 | R80-N82 PolarHBondContact O-N 3.31Å; N82-D84 PolarHBondContact O-N 3.32Å; N82-D84 VanDerWaalsContact O-N 3.13Å | ||
| 83 | Q | 29.4 | Very low | 27.6 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | trans | -64.5 | 103 | 170.3 | -67.5 | 166.7 | -37.8 | 0 | 0 | 106.2 | ||||
| 84 | D | 27.2 | Very low | 27.4 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | 176.6 | 141.2 | 135.4 | -83.2 | -30.4 | 0 | 0 | 0 | 108.6 | N82 | N82-D84 PolarHBondContact O-N 3.32Å; N82-D84 VanDerWaalsContact O-N 3.13Å | ||
| 85 | Y | 25.5 | Very low | 27.3 | Very low | 215 Ų | 215 | 137 Ų | 137 | 84% | 0.843 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 83.9 | 102.5 | -179.3 | -59.7 | -82 | 0 | 0 | 0 | 117 | N87 | Y85-N87 PolarHBondContact O-N 2.85Š|
| 86 | H | 25.3 | Very low | 26.9 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.866 | 66% | 0.659 | S | S | * | * | trans | -33.7 | 95.4 | 159.1 | -74.2 | -102 | 0 | 0 | 0 | 113.1 | ||||
| 87 | N | 25.6 | Very low | 26.8 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | trans | -165.2 | 89.8 | 145.9 | -93.9 | -22.7 | 0 | 0 | 0 | 108.8 | L56 Y85 I89 | L56-N87 HydrophobicContact CD2-CB 4.36Å; Y85-N87 PolarHBondContact O-N 2.85Å; N87-I89 PolarHBondContact O-N 2.88Å | ||
| 88 | R | 24.4 | Very low | 26.9 | Very low | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.849 | 68% | 0.681 | S | S | * | * | trans | -69.3 | 107.3 | 178.1 | -65.2 | 175 | 179.3 | 175.9 | -0.5 | 108.7 | ||||
| 89 | I | 29.6 | Very low | 26.6 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 48% | 0.482 | 69% | 0.69 | S | S | . | * | trans | -126.8 | 109.9 | 167.9 | -64.5 | -176 | 0 | 0 | 0 | 108.8 | L56 N87 F91 | L56-I89 HydrophobicContact CD2-CD1 3.66Å; N87-I89 PolarHBondContact O-N 2.88Å; I89-F91 HydrophobicContact CG2-CD2 3.2Å; I89-F91 HydrophobicContact CG2-CE2 3.01Å; I89-F91 HydrophobicContact CG2-CG 4.2Å; I89-F91 HydrophobicContact CG2-CZ 3.87Å | ||
| 90 | F | 26.2 | Very low | 26.5 | Very low | 157 Ų | 157 | 143 Ų | 143 | 69% | 0.689 | 68% | 0.681 | S | S | * | * | trans | -92.8 | 131.5 | 165.3 | -79.3 | -97.3 | 0 | 0 | 0 | 107.7 | ||||
| 91 | F | 32 | Very low | 26.5 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 45% | 0.452 | 69% | 0.686 | S | S | . | * | trans | -131.2 | 120.2 | 167 | -80.4 | -63 | 0 | 0 | 0 | 110.9 | I89 F93 | I89-F91 HydrophobicContact CG2-CD2 3.2Å; I89-F91 HydrophobicContact CG2-CE2 3.01Å; I89-F91 HydrophobicContact CG2-CG 4.2Å; I89-F91 HydrophobicContact CG2-CZ 3.87Å; F91-F93 HydrophobicContact CD1-CD2 4.4Å; F91-F93 AromaticContact CD1-CE2 3.69Å; F91-F93 HydrophobicContact CD1-CE2 3.69Å; F91-F93 HydrophobicContact CE1-CE2 4.23Å; F91-F93 HydrophobicContact CG-CE2 4.47Å | ||
| 92 | A | 24.5 | Very low | 26.5 | Very low | 53 Ų | 53 | 139 Ų | 139 | 44% | 0.438 | 68% | 0.679 | S | S | . | * | trans | -109 | 124.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107 | V75 | V75-A92 HydrophobicContact CG1-CB 3.83Š| ||
| 93 | F | 30.4 | Very low | 26.9 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 44% | 0.443 | 68% | 0.682 | S | S | . | * | trans | -132.3 | 123.9 | 164.2 | -80.8 | -76.5 | 0 | 0 | 0 | 109.8 | F62 F91 | F62-F93 HydrophobicContact CE1-CB 3.63Å; F62-F93 WeakPolarHBondContact CE1-O 3.43Å; F62-F93 HydrophobicContact CZ-CB 3.88Å; F91-F93 HydrophobicContact CD1-CD2 4.4Å; F91-F93 AromaticContact CD1-CE2 3.69Å; F91-F93 HydrophobicContact CD1-CE2 3.69Å; F91-F93 HydrophobicContact CE1-CE2 4.23Å; F91-F93 HydrophobicContact CG-CE2 4.47Å | ||
| 94 | C | 25.6 | Very low | 26.6 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 55% | 0.554 | 67% | 0.674 | S | S | * | * | trans | -108.4 | 100.7 | 174.3 | -160.2 | 0 | 0 | 0 | 0 | 105.3 | V75 | V75-C94 HydrophobicContact CG2-CB 4.43Š| ||
| 95 | C | 27.9 | Very low | 26.4 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 53% | 0.527 | 68% | 0.676 | S | S | . | * | trans | -108.6 | 82.7 | 176.9 | -65.3 | 0 | 0 | 0 | 0 | 108.8 | I98 | C95-I98 HydrophobicContact CB-CG1 4.48Š| ||
| 96 | H | 24.5 | Very low | 26.4 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -76.9 | 123 | 151.3 | -140.3 | -116.8 | 0 | 0 | 0 | 105.3 | N73 | N73-H96 PolarHBondContact ND2-CD2 2.76Š|
| 97 | H | 25.1 | Very low | 26.3 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 72% | 0.718 | 67% | 0.665 | S | S | * | * | trans | 68.5 | 74.2 | -169.9 | -70.9 | -90.9 | 0 | 0 | 0 | 116.3 | W99 | H97-W99 PolarHBondContact O-N 3.29Š| ||
| 98 | I | 30.1 | Very low | 26.4 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 76% | 0.764 | 66% | 0.663 | S | S | * | * | -65.8 | 97.1 | 127.3 | -64.7 | 167.7 | 0 | 0 | 0 | 104 | C95 | C95-I98 HydrophobicContact CB-CG1 4.48Š| |||
| 99 | W | 23.1 | Very low | 26.3 | Very low | 217 Ų | 217 | 128.7 Ų | 128.7 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -166.3 | 114.7 | 149.6 | -100.6 | 23.5 | 0 | 0 | 0 | 108.3 | H97 | H97-W99 PolarHBondContact O-N 3.29Š| ||
| 100 | S | 25 | Very low | 26.1 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | 68 | 131.2 | 152.7 | 60.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 101 | L | 26.1 | Very low | 26.1 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 67% | 0.67 | S | S | * | * | trans | 84 | 76.1 | 157.6 | -62.5 | 134.1 | 0 | 0 | 0 | 117.5 | ||||
| 102 | L | 23.9 | Very low | 25.6 | Very low | 135 Ų | 135 | 135 Ų | 135 | 71% | 0.707 | 69% | 0.692 | S | S | * | * | 160.9 | 127.5 | 106.3 | -113.7 | 72.7 | 0 | 0 | 0 | 109.6 | H104 | L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 3.13Å; L102-H104 VanDerWaalsContact O-N 3.16Å | |||
| 103 | P | 33 | Very low | 25.7 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -84.4 | 77.3 | 165.2 | 34.3 | -28.6 | 0 | 0 | 0 | 108.6 | ||||
| 104 | H | 23.5 | Very low | 25.4 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -151.3 | 119.9 | 160.8 | -98.2 | -74 | 0 | 0 | 0 | 109.9 | L102 | L102-H104 VanDerWaalsContact C-N 3.32Å; L102-H104 PolarHBondContact O-N 3.13Å; L102-H104 VanDerWaalsContact O-N 3.16Å |
| 105 | H | 23.3 | Very low | 25.5 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.787 | 74% | 0.738 | S | S | * | * | trans | 72.9 | 92.5 | 175.3 | -67 | -82.4 | 0 | 0 | 0 | 117.3 | S107 | H105-S107 PolarHBondContact O-N 3.45Š| ||
| 106 | L | 25.8 | Very low | 25.3 | Very low | 174 Ų | 174 | 156.4 Ų | 156.4 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | trans | -54.4 | 80.3 | 151.3 | -79.2 | 151 | 0 | 0 | 0 | 110.1 | I108 | L106-I108 VanDerWaalsContact C-N 3.28Å; L106-I108 PolarHBondContact O-N 3.1Å; L106-I108 VanDerWaalsContact O-N 3.08Å | ||
| 107 | S | 23.2 | Very low | 25.5 | Very low | 79 Ų | 79 | 157 Ų | 157 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | trans | -78.5 | 87.6 | 162.7 | 58.9 | 0 | 0 | 0 | 0 | 107.9 | H105 F109 | H105-S107 PolarHBondContact O-N 3.45Å; S107-F109 PolarHBondContact O-N 3.23Å | ||
| 108 | I | 27.3 | Very low | 25.5 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | trans | -52.8 | 109.2 | 156.9 | -63.6 | 163 | 0 | 0 | 0 | 105.3 | L106 P110 | L106-I108 VanDerWaalsContact C-N 3.28Å; L106-I108 PolarHBondContact O-N 3.1Å; L106-I108 VanDerWaalsContact O-N 3.08Å; I108-P110 WeakPolarHBondContact O-CD 3.49Å | ||
| 109 | F | 22.8 | Very low | 25.6 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 105.2 | 171.4 | -89.5 | -94.8 | 0 | 0 | 0 | 107.8 | S107 I111 | S107-F109 PolarHBondContact O-N 3.23Å; F109-I111 PolarHBondContact O-N 3.23Å | ||
| 110 | P | 25.7 | Very low | 26.1 | Very low | 105 Ų | 105 | 154.6 Ų | 154.6 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -70 | 108.2 | 167.9 | 29.9 | -33.3 | 0 | 0 | 0 | 107.5 | I108 R112 | I108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-R112 VanDerWaalsContact C-N 3.27Å; P110-R112 PolarHBondContact O-N 3.32Å | ||
| 111 | I | 26 | Very low | 26.6 | Very low | 141 Ų | 141 | 162.4 Ų | 162.4 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -63.6 | 95.6 | 165.9 | -66.8 | 169.7 | 0 | 0 | 0 | 106.6 | F109 R113 | F109-I111 PolarHBondContact O-N 3.23Å; I111-R113 PolarHBondContact O-N 3.16Å | ||
| 112 | R | 21 | Very low | 26.6 | Very low | 240 Ų | 240 | 162.9 Ų | 162.9 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 97.5 | 168.4 | -81.6 | -174.6 | 176.6 | -175.6 | -1.7 | 107.9 | P110 | P110-R112 VanDerWaalsContact C-N 3.27Å; P110-R112 PolarHBondContact O-N 3.32Å | ||
| 113 | R | 27.2 | Very low | 26.8 | Very low | 215 Ų | 215 | 164.4 Ų | 164.4 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -121.1 | 105.1 | 151.5 | -102.6 | -174.3 | 172.5 | -178.2 | -1.7 | 109.3 | I111 F115 | I111-R113 PolarHBondContact O-N 3.16Å; R113-F115 PolarHBondContact O-N 3.44Å | ||
| 114 | Q | 22.3 | Very low | 26.4 | Very low | 168 Ų | 168 | 166.7 Ų | 166.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -46.6 | 100.4 | 162.1 | -121 | 168.2 | -22.8 | 0 | 0 | 108.2 | Y116 | Q114-Y116 PolarHBondContact O-N 3.41Š| ||
| 115 | F | 29.3 | Very low | 26.6 | Very low | 182 Ų | 182 | 167.5 Ų | 167.5 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -76.1 | 106.4 | 158.6 | -83.7 | -86.4 | 0 | 0 | 0 | 105.8 | R113 L117 | R113-F115 PolarHBondContact O-N 3.44Å; F115-L117 PolarHBondContact O-N 2.79Å | ||
| 116 | Y | 23.5 | Very low | 26.8 | Very low | 200 Ų | 200 | 167.3 Ų | 167.3 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -56.6 | 99.1 | 157.3 | -84.3 | -91.5 | 0 | 0 | 0 | 106.3 | Q114 N118 | Q114-Y116 PolarHBondContact O-N 3.41Å; Y116-N118 PolarHBondContact O-N 3.44Å | ||
| 117 | L | 27.5 | Very low | 26.9 | Very low | 145 Ų | 145 | 166.9 Ų | 166.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 94.4 | 163.6 | -94.1 | 151.1 | 0 | 0 | 0 | 105.8 | F115 S119 | F115-L117 PolarHBondContact O-N 2.79Å; L117-S119 PolarHBondContact O-N 3.28Å | ||
| 118 | N | 26 | Very low | 27.2 | Very low | 142 Ų | 142 | 173.1 Ų | 173.1 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 84.2 | 161.3 | -114.5 | -2.5 | 0 | 0 | 0 | 106.6 | Y116 R120 | Y116-N118 PolarHBondContact O-N 3.44Å; N118-R120 PolarHBondContact O-N 3.32Å; N118-R120 VanDerWaalsContact O-N 3.09Å | ||
| 119 | S | 31.7 | Very low | 27.1 | Very low | 107 Ų | 107 | 177.5 Ų | 177.5 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -73.6 | 83.9 | 160.2 | 56.3 | 0 | 0 | 0 | 0 | 107.2 | L117 Q121 | L117-S119 PolarHBondContact O-N 3.28Å; S119-Q121 PolarHBondContact O-N 2.89Å | ||
| 120 | R | 34.5 | Very low | 27.5 | Very low | 222 Ų | 222 | 177.8 Ų | 177.8 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -84.2 | 107.5 | 155.5 | -80.6 | -169.8 | 177.3 | -177.1 | -1 | 106.4 | N118 | N118-R120 PolarHBondContact O-N 3.32Å; N118-R120 VanDerWaalsContact O-N 3.09Å | ||
| 121 | Q | 35.4 | Very low | 27.7 | Very low | 266 Ų | 266 | 184.4 Ų | 184.4 | 100% | 1.243 | 83% | 0.832 | S | S | * | * | trans | 14.1 | 0 | 147.8 | -67.1 | 173 | -34.5 | 0 | 0 | 116.6 | S119 | S119-Q121 PolarHBondContact O-N 2.89Š|
Retrieved 121 of 121 residues in 15.6 ms
(Link to these results)