| 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 | 40 | Very low | 69.2 | Low | 233 Ų | 233 | 127.4 Ų | 127.4 | 100% | 1.148 | 65% | 0.65 | S | S | * | * | 0 | 105.4 | 0 | -161.1 | 172.7 | -173.4 | 0 | 0 | 107.2 | I3 | M1-I3 PolarHBondContact O-N 2.97Š| |||
| 2 | K | 44.9 | Very low | 70.1 | Confident | 214 Ų | 214 | 133.5 Ų | 133.5 | 93% | 0.93 | 66% | 0.659 | S | S | * | * | trans | -77.7 | 104.8 | 174.8 | -88.6 | -179.4 | 176.3 | 175.5 | 0 | 106.9 | G4 | K2-G4 PolarHBondContact O-N 3.15Å; K2-G4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | I | 60.9 | Low | 70.2 | Confident | 159 Ų | 159 | 134.8 Ų | 134.8 | 82% | 0.815 | 66% | 0.662 | S | S | * | * | trans | -67.1 | 108.6 | 168.3 | -58.7 | 172.1 | 0 | 0 | 0 | 105.3 | M1 | M1-I3 PolarHBondContact O-N 2.97Š| ||
| 4 | G | 67.2 | Low | 70.3 | Confident | 57 Ų | 57 | 132 Ų | 132 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | K2 | K2-G4 PolarHBondContact O-N 3.15Å; K2-G4 VanDerWaalsContact O-N 3.13Å |
| 5 | L | 78.9 | Confident | 70.5 | Confident | 115 Ų | 115 | 130.1 Ų | 130.1 | 60% | 0.602 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -60 | 137.9 | 171.5 | -65.5 | 172.9 | 0 | 0 | 0 | 109.9 | E9 | L5-E9 WeakPolarHBondContact CA-OE2 3.45Å; L5-E9 HydrophobicContact CB-CB 4.09Å; L5-E9 HydrophobicContact CD2-CB 4.15Å |
| 6 | T | 78.5 | Confident | 70.3 | Confident | 68 Ų | 68 | 125.4 Ų | 125.4 | 42% | 0.417 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 156.7 | 171.9 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | T8 E9 R10 | T6-T8 PolarHBondContact O-N 2.88Å; T6-E9 PolarHBondContact N-OE2 3.45Å; T6-E9 PolarHBondContact O-N 3.29Å; T6-E9 VanDerWaalsContact OG1-CD 3.25Å; T6-E9 VanDerWaalsContact OG1-CG 3.22Å; T6-E9 WeakPolarHBondContact OG1-CG 3.44Å; T6-E9 PolarHBondContact OG1-N 3.19Å; T6-E9 PolarHBondContact OG1-OE2 3.26Å; T6-R10 PolarHBondContact O-N 2.91Å |
| 7 | P | 76 | Confident | 70.2 | Confident | 87 Ų | 87 | 128.2 Ų | 128.2 | 57% | 0.565 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -53.8 | -36.8 | 175.7 | -27.6 | 35.6 | 0 | 0 | 0 | 113.4 | R10 Y11 | P7-R10 PolarHBondContact O-N 2.97Å; P7-Y11 WeakPolarHBondContact O-CB 3.42Å; P7-Y11 VanDerWaalsContact O-CD2 3.29Å; P7-Y11 WeakPolarHBondContact O-CD2 3.34Å; P7-Y11 PolarHBondContact O-N 3.32Å |
| 8 | T | 77.4 | Confident | 69.9 | Low | 84 Ų | 84 | 124.3 Ų | 124.3 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.5 | -39.1 | 176.8 | -46.9 | 0 | 0 | 0 | 0 | 112.3 | T6 R12 F15 | T6-T8 PolarHBondContact O-N 2.88Å; T8-R12 WeakPolarHBondContact O-CA 3.34Å; T8-R12 PolarHBondContact O-N 3.13Å; T8-F15 HydrophobicContact CG2-CB 4.23Å |
| 9 | E | 81.2 | Confident | 69.6 | Low | 112 Ų | 112 | 121.9 Ų | 121.9 | 52% | 0.523 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.2 | -38.5 | 175 | -71.3 | 165.5 | 148.6 | 0 | 0 | 111.9 | L5 T6 | L5-E9 WeakPolarHBondContact CA-OE2 3.45Å; L5-E9 HydrophobicContact CB-CB 4.09Å; L5-E9 HydrophobicContact CD2-CB 4.15Å; T6-E9 PolarHBondContact N-OE2 3.45Å; T6-E9 PolarHBondContact O-N 3.29Å; T6-E9 VanDerWaalsContact OG1-CD 3.25Å; T6-E9 VanDerWaalsContact OG1-CG 3.22Å; T6-E9 WeakPolarHBondContact OG1-CG 3.44Å; T6-E9 PolarHBondContact OG1-N 3.19Å; T6-E9 PolarHBondContact OG1-OE2 3.26Å |
| 10 | R | 79.1 | Confident | 69.2 | Low | 161 Ų | 161 | 117.6 Ų | 117.6 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.8 | -36.4 | 179.7 | -178.5 | 177.1 | -83.6 | -176.1 | -4.6 | 112.6 | T6 P7 | T6-R10 PolarHBondContact O-N 2.91Å; P7-R10 PolarHBondContact O-N 2.97Å |
| 11 | Y | 77.7 | Confident | 68.8 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 44% | 0.435 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.7 | 42.2 | -175.2 | -55.5 | -71.7 | 0 | 0 | 0 | 111.9 | P7 Q13 V14 F15 | P7-Y11 WeakPolarHBondContact O-CB 3.42Å; P7-Y11 VanDerWaalsContact O-CD2 3.29Å; P7-Y11 WeakPolarHBondContact O-CD2 3.34Å; P7-Y11 PolarHBondContact O-N 3.32Å; Y11-Q13 PolarHBondContact O-N 2.89Å; Y11-Q13 VanDerWaalsContact O-N 3.15Å; Y11-V14 PolarHBondContact O-N 3.36Å; Y11-F15 PolarHBondContact O-N 3.02Å |
| 12 | R | 79.3 | Confident | 69.8 | Low | 201 Ų | 201 | 109.6 Ų | 109.6 | 76% | 0.758 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -32.6 | -176.5 | -169.9 | 176.7 | -178.7 | 166.2 | 1.4 | 113.4 | T8 V14 | T8-R12 WeakPolarHBondContact O-CA 3.34Å; T8-R12 PolarHBondContact O-N 3.13Å; R12-V14 VanDerWaalsContact C-N 3.26Å; R12-V14 PolarHBondContact O-N 3.02Å |
| 13 | Q | 72.2 | Confident | 70.6 | Confident | 150 Ų | 150 | 104.2 Ų | 104.2 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -18.1 | 176.8 | 67.6 | -84.4 | 8.6 | 0 | 0 | 114.2 | Y11 | Y11-Q13 PolarHBondContact O-N 2.89Å; Y11-Q13 VanDerWaalsContact O-N 3.15Å |
| 14 | V | 71.5 | Confident | 70.6 | Confident | 96 Ų | 96 | 100.9 Ų | 100.9 | 58% | 0.582 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -44.4 | -179.6 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | Y11 R12 T16 | Y11-V14 PolarHBondContact O-N 3.36Å; R12-V14 VanDerWaalsContact C-N 3.26Å; R12-V14 PolarHBondContact O-N 3.02Å; V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 PolarHBondContact O-N 3.29Å |
| 15 | F | 72.4 | Confident | 70.3 | Confident | 103 Ų | 103 | 105.4 Ų | 105.4 | 45% | 0.452 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -81.4 | 76.1 | 174.8 | -67.1 | -72.7 | 0 | 0 | 0 | 110.2 | T8 Y11 | T8-F15 HydrophobicContact CG2-CB 4.23Å; Y11-F15 PolarHBondContact O-N 3.02Å |
| 16 | T | 68.1 | Low | 69.6 | Low | 56 Ų | 56 | 105.8 Ų | 105.8 | 34% | 0.344 | 57% | 0.566 | S | S | . | * | trans | -116.3 | 148.4 | 179.3 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | V14 T18 | V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 PolarHBondContact O-N 3.29Å; T16-T18 VanDerWaalsContact CG2-O 3.29Å; T16-T18 WeakPolarHBondContact CG2-O 3.29Å; T16-T18 PolarHBondContact OG1-N 2.97Å; T16-T18 PolarHBondContact OG1-OG1 3.39Å | ||
| 17 | N | 68.8 | Low | 69 | Low | 173 Ų | 173 | 107.6 Ų | 107.6 | 93% | 0.925 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -87.1 | 4.7 | 169.5 | -65.3 | -27.6 | 0 | 0 | 0 | 112 | ||
| 18 | T | 64.2 | Low | 68.5 | Low | 58 Ų | 58 | 108 Ų | 108 | 36% | 0.356 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -107.8 | 155.5 | 178.6 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | T16 G20 E67 | T16-T18 VanDerWaalsContact CG2-O 3.29Å; T16-T18 WeakPolarHBondContact CG2-O 3.29Å; T16-T18 PolarHBondContact OG1-N 2.97Å; T16-T18 PolarHBondContact OG1-OG1 3.39Å; T18-G20 PolarHBondContact O-N 3.4Å; T18-E67 HydrophobicContact CG2-CG 4.44Å |
| 19 | V | 64.1 | Low | 68 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 47% | 0.473 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 125.6 | 179.1 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | Q111 | V19-Q111 HydrophobicContact CG2-CG 4.21Š|
| 20 | G | 61.1 | Low | 67.4 | Low | 35 Ų | 35 | 110.3 Ų | 110.3 | 36% | 0.361 | 58% | 0.581 | S | S | . | * | B | Isolated β-bridge | trans | -80.4 | 157.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T18 | T18-G20 PolarHBondContact O-N 3.4Å |
| 21 | T | 60.7 | Low | 66.8 | Low | 82 Ų | 82 | 107 Ų | 107 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -103.7 | 123.9 | 170 | -54.4 | 0 | 0 | 0 | 0 | 108.2 | A23 S116 | T21-A23 PolarHBondContact O-N 2.95Å; T21-S116 VanDerWaalsContact CA-OG 3.29Å; T21-S116 WeakPolarHBondContact CA-OG 3.4Å; T21-S116 WeakPolarHBondContact CG2-OG 3.3Å |
| 22 | F | 62.7 | Low | 66.3 | Low | 101 Ų | 101 | 107.7 Ų | 107.7 | 44% | 0.443 | 58% | 0.58 | S | S | . | * | trans | -74.7 | 106.7 | 168.6 | -80.9 | -87.6 | 0 | 0 | 0 | 108.9 | I112 S116 | F22-I112 HydrophobicContact CD2-CG2 4.07Å; F22-I112 HydrophobicContact CE2-CB 4.06Å; F22-I112 HydrophobicContact CE2-CD1 3.93Å; F22-I112 HydrophobicContact CE2-CG1 3.71Å; F22-I112 HydrophobicContact CE2-CG2 3.59Å; F22-I112 HydrophobicContact CZ-CD1 4Å; F22-I112 HydrophobicContact CZ-CG1 4.09Å; F22-S116 PolarHBondContact N-OG 2.9Å; F22-S116 PolarHBondContact O-OG 3.34Å | ||
| 23 | A | 61.6 | Low | 65.7 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 84% | 0.835 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 130.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T21 | T21-A23 PolarHBondContact O-N 2.95Š|
| 24 | G | 60.1 | Low | 65.3 | Low | 90 Ų | 90 | 108.2 Ų | 108.2 | 93% | 0.928 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | 3.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 25 | Y | 61.3 | Low | 64.7 | Low | 151 Ų | 151 | 107.4 Ų | 107.4 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | trans | -105.6 | 122.3 | 169.8 | -174 | -96.7 | 0 | 0 | 0 | 109.4 | D27 | Y25-D27 HydrophobicContact CE1-CB 4.04Š| ||
| 26 | E | 64.1 | Low | 64.3 | Low | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 60% | 0.602 | S | S | * | * | trans | -116.1 | 124.7 | 168.7 | -69.8 | -170.5 | 162.7 | 0 | 0 | 107.8 | ||||
| 27 | D | 64.9 | Low | 64 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 57% | 0.572 | 60% | 0.603 | S | S | * | * | trans | -82.4 | 126.8 | 173.4 | -163.6 | 7.5 | 0 | 0 | 0 | 109 | Y25 | Y25-D27 HydrophobicContact CE1-CB 4.04Š| ||
| 28 | V | 67 | Low | 64 | Low | 94 Ų | 94 | 107.9 Ų | 107.9 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | trans | -114.8 | 104.9 | -178 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | H30 | V28-H30 PolarHBondContact O-N 3Š| ||
| 29 | L | 67 | Low | 64.2 | Low | 92 Ų | 92 | 110.3 Ų | 110.3 | 48% | 0.482 | 60% | 0.604 | S | S | . | * | trans | -83.9 | 114.7 | 176.7 | -171.1 | 70.5 | 0 | 0 | 0 | 110.7 | L31 L85 | L29-L31 HydrophobicContact CD2-CD2 3.9Å; L29-L31 HydrophobicContact CG-CD2 4.25Å; L29-L31 PolarHBondContact O-N 3.47Å; L29-L85 HydrophobicContact CD2-CD2 4.02Å | ||
| 30 | H | 67.5 | Low | 64.7 | Low | 154 Ų | 154 | 112.7 Ų | 112.7 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | trans | -86.3 | 105.9 | 175.4 | -71 | -81.5 | 0 | 0 | 0 | 111.2 | V28 | V28-H30 PolarHBondContact O-N 3Š| ||
| 31 | L | 66.9 | Low | 65.6 | Low | 92 Ų | 92 | 116.7 Ų | 116.7 | 48% | 0.482 | 64% | 0.641 | S | S | . | * | trans | -80.5 | 137.9 | 174.9 | -59.2 | 178.3 | 0 | 0 | 0 | 110.9 | L29 L85 Q88 | L29-L31 HydrophobicContact CD2-CD2 3.9Å; L29-L31 HydrophobicContact CG-CD2 4.25Å; L29-L31 PolarHBondContact O-N 3.47Å; L31-L85 HydrophobicContact CD2-CD2 3.99Å; L31-Q88 VanDerWaalsContact CD2-OE1 3.26Å | ||
| 32 | K | 67.2 | Low | 66.6 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 54% | 0.543 | 65% | 0.651 | S | S | . | * | trans | -71.9 | 130.7 | 167.4 | -63.3 | -173.1 | -174 | 171.1 | 0 | 109.1 | E34 M35 | K32-E34 PolarHBondContact O-N 2.96Å; K32-M35 HydrophobicContact CB-CE 4.25Å; K32-M35 HydrophobicContact CD-CE 3.74Å; K32-M35 HydrophobicContact CG-CE 4.36Å; K32-M35 PolarHBondContact O-N 2.83Å | ||
| 33 | I | 65.3 | Low | 67.7 | Low | 171 Ų | 171 | 123 Ų | 123 | 88% | 0.877 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -30.1 | -176.2 | -65.5 | 170.9 | 0 | 0 | 0 | 112.5 | M35 | I33-M35 VanDerWaalsContact C-N 3.32Å; I33-M35 PolarHBondContact O-N 2.97Å |
| 34 | E | 65 | Low | 68.8 | Low | 190 Ų | 190 | 121.7 Ų | 121.7 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -3.1 | -178 | -60.5 | 179.2 | 174.7 | 0 | 0 | 114.3 | K32 | K32-E34 PolarHBondContact O-N 2.96Š|
| 35 | M | 59.7 | Low | 70.1 | Confident | 79 Ų | 79 | 120.6 Ų | 120.6 | 39% | 0.389 | 62% | 0.624 | S | S | . | * | trans | -121.6 | 81.6 | -178.7 | -70.4 | -160.3 | -104.4 | 0 | 0 | 110.1 | K32 I33 P37 Q88 | K32-M35 HydrophobicContact CB-CE 4.25Å; K32-M35 HydrophobicContact CD-CE 3.74Å; K32-M35 HydrophobicContact CG-CE 4.36Å; K32-M35 PolarHBondContact O-N 2.83Å; I33-M35 VanDerWaalsContact C-N 3.32Å; I33-M35 PolarHBondContact O-N 2.97Å; M35-P37 WeakPolarHBondContact O-CD 3.39Å; M35-Q88 HydrophobicContact CE-CG 4.46Å | ||
| 36 | L | 63.8 | Low | 71.4 | Confident | 153 Ų | 153 | 121.6 Ų | 121.6 | 80% | 0.801 | 63% | 0.632 | S | S | * | * | trans | -81.4 | 104.1 | 161.3 | -73.5 | 170.1 | 0 | 0 | 0 | 107.6 | V38 | L36-V38 PolarHBondContact O-N 2.79Š| ||
| 37 | P | 61.1 | Low | 72.6 | Confident | 55 Ų | 55 | 120 Ų | 120 | 36% | 0.357 | 64% | 0.635 | S | S | . | * | trans | -74.6 | 117.1 | -177.9 | 32.2 | -34.2 | 0 | 0 | 0 | 109.2 | M35 F39 | M35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-F39 HydrophobicContact CB-CD2 4.03Å; P37-F39 HydrophobicContact CB-CE1 4.14Å; P37-F39 HydrophobicContact CB-CE2 3.36Å; P37-F39 HydrophobicContact CB-CZ 3.42Å; P37-F39 VanDerWaalsContact CB-CZ 3.42Å; P37-F39 HydrophobicContact CG-CD2 4.28Å; P37-F39 HydrophobicContact CG-CE2 3.49Å; P37-F39 VanDerWaalsContact CG-CE2 3.49Å; P37-F39 HydrophobicContact CG-CZ 3.94Å | ||
| 38 | V | 68.3 | Low | 73.4 | Confident | 135 Ų | 135 | 119.5 Ų | 119.5 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | trans | -90.5 | 104.7 | 168.6 | -178.5 | 0 | 0 | 0 | 0 | 107.3 | L36 | L36-V38 PolarHBondContact O-N 2.79Š| ||
| 39 | F | 68.2 | Low | 74.2 | Confident | 109 Ų | 109 | 120.1 Ų | 120.1 | 48% | 0.478 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -95.6 | 126 | 175.8 | -61.2 | -69.7 | 0 | 0 | 0 | 110.3 | P37 L85 | P37-F39 HydrophobicContact CB-CD2 4.03Å; P37-F39 HydrophobicContact CB-CE1 4.14Å; P37-F39 HydrophobicContact CB-CE2 3.36Å; P37-F39 HydrophobicContact CB-CZ 3.42Å; P37-F39 VanDerWaalsContact CB-CZ 3.42Å; P37-F39 HydrophobicContact CG-CD2 4.28Å; P37-F39 HydrophobicContact CG-CE2 3.49Å; P37-F39 VanDerWaalsContact CG-CE2 3.49Å; P37-F39 HydrophobicContact CG-CZ 3.94Å; F39-L85 HydrophobicContact CE2-CD1 4.19Å; F39-L85 HydrophobicContact CZ-CD1 3.85Å; F39-L85 HydrophobicContact CZ-CG 4Å |
| 40 | T | 74.7 | Confident | 75.1 | Confident | 127 Ų | 127 | 120 Ų | 120 | 78% | 0.779 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 134.1 | 165.9 | 53.6 | 0 | 0 | 0 | 0 | 109.4 | R42 | T40-R42 PolarHBondContact O-N 3.23Š|
| 41 | S | 80.3 | Confident | 75.7 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 84% | 0.839 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 133.7 | 176.8 | -71.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 42 | R | 82.5 | Confident | 76.3 | Confident | 186 Ų | 186 | 113.8 Ų | 113.8 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 137 | 173.6 | -63.9 | -177.1 | -171.2 | -120.6 | 6.2 | 109.6 | T40 I44 D81 | T40-R42 PolarHBondContact O-N 3.23Å; R42-I44 PolarHBondContact O-N 2.91Å; R42-D81 IonicContact CZ-OD2 3.81Å; R42-D81 IonicContact NH2-OD2 2.73Å; R42-D81 PolarHBondContact NH2-OD2 3.02Å |
| 43 | P | 85.9 | Confident | 77 | Confident | 130 Ų | 130 | 111 Ų | 111 | 84% | 0.844 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129 | 174 | -24.5 | 33.7 | 0 | 0 | 0 | 111.2 | ||
| 44 | I | 84.3 | Confident | 77.5 | Confident | 72 Ų | 72 | 109.4 Ų | 109.4 | 37% | 0.369 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -98.8 | 124.2 | 179.8 | -55 | -179.6 | 0 | 0 | 0 | 108.7 | R42 F46 Q48 K49 V52 | R42-I44 PolarHBondContact O-N 2.91Å; I44-F46 PolarHBondContact O-N 2.81Å; I44-Q48 HydrophobicContact CG2-CB 3.99Å; I44-K49 HydrophobicContact CB-CG 4.39Å; I44-K49 HydrophobicContact CG2-CG 4.1Å; I44-V52 HydrophobicContact CD1-CB 4.28Å; I44-V52 HydrophobicContact CD1-CG1 3.72Å; I44-V52 HydrophobicContact CD1-CG2 4.22Å; I44-V52 HydrophobicContact CG2-CG2 4.01Å |
| 45 | P | 87.5 | Confident | 77.8 | Confident | 67 Ų | 67 | 101 Ų | 101 | 44% | 0.435 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 138.4 | 173 | -25.9 | 34.2 | 0 | 0 | 0 | 111.4 | S47 Q48 K49 | P45-S47 PolarHBondContact O-N 3.46Å; P45-S47 VanDerWaalsContact O-N 3.13Å; P45-Q48 HydrophobicContact CB-CG 4.41Å; P45-Q48 PolarHBondContact O-N 2.73Å; P45-K49 PolarHBondContact O-N 3.19Å |
| 46 | F | 88.3 | Confident | 78.5 | Confident | 173 Ų | 173 | 102.4 Ų | 102.4 | 76% | 0.759 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -54.6 | -38.2 | -176 | -177.1 | -96.6 | 0 | 0 | 0 | 112.8 | I44 Q48 K49 | I44-F46 PolarHBondContact O-N 2.81Å; F46-Q48 PolarHBondContact O-N 3.11Å; F46-K49 HydrophobicContact CD2-CD 4.2Å; F46-K49 PolarHBondContact O-N 3.4Å |
| 47 | S | 88.4 | Confident | 78.9 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 63% | 0.629 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -61.6 | -21.8 | 176.7 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | P45 | P45-S47 PolarHBondContact O-N 3.46Å; P45-S47 VanDerWaalsContact O-N 3.13Å |
| 48 | Q | 83 | Confident | 79.2 | Confident | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -101.2 | -17.8 | -178.3 | -65.8 | -178.6 | -10.5 | 0 | 0 | 113.1 | I44 P45 F46 P50 Q51 V52 | I44-Q48 HydrophobicContact CG2-CB 3.99Å; P45-Q48 HydrophobicContact CB-CG 4.41Å; P45-Q48 PolarHBondContact O-N 2.73Å; F46-Q48 PolarHBondContact O-N 3.11Å; Q48-P50 VanDerWaalsContact C-CD 3.48Å; Q48-Q51 PolarHBondContact O-N 3.42Å; Q48-V52 PolarHBondContact O-N 2.86Å |
| 49 | K | 83.7 | Confident | 79.1 | Confident | 106 Ų | 106 | 99.3 Ų | 99.3 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -49.5 | -47.1 | -179.9 | -71.7 | -175 | 177.6 | -174.6 | 0 | 113.1 | I44 P45 F46 Q51 V52 T53 | I44-K49 HydrophobicContact CB-CG 4.39Å; I44-K49 HydrophobicContact CG2-CG 4.1Å; P45-K49 PolarHBondContact O-N 3.19Å; F46-K49 HydrophobicContact CD2-CD 4.2Å; F46-K49 PolarHBondContact O-N 3.4Å; K49-Q51 VanDerWaalsContact C-N 3.3Å; K49-Q51 PolarHBondContact O-N 3.32Å; K49-V52 PolarHBondContact O-N 3.37Å; K49-T53 WeakPolarHBondContact O-CB 3.1Å; K49-T53 PolarHBondContact O-N 3.3Å; K49-T53 PolarHBondContact O-OG1 3.12Å |
| 50 | P | 84.7 | Confident | 78.8 | Confident | 89 Ų | 89 | 100.2 Ų | 100.2 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -37.5 | 179.5 | -23.3 | 34.7 | 0 | 0 | 0 | 113.4 | Q48 K54 | Q48-P50 VanDerWaalsContact C-CD 3.48Å; P50-K54 WeakPolarHBondContact O-CB 3.17Å; P50-K54 PolarHBondContact O-N 3.2Å |
| 51 | Q | 80.3 | Confident | 77.9 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.6 | -43.1 | -179 | -60.6 | -177.5 | 51.5 | 0 | 0 | 111.1 | Q48 K49 K54 A55 C76 | Q48-Q51 PolarHBondContact O-N 3.42Å; K49-Q51 VanDerWaalsContact C-N 3.3Å; K49-Q51 PolarHBondContact O-N 3.32Å; Q51-K54 PolarHBondContact O-N 3.37Å; Q51-A55 WeakPolarHBondContact O-CB 3.47Å; Q51-A55 PolarHBondContact O-N 2.8Å; Q51-C76 HydrophobicContact CB-CB 3.91Å |
| 52 | V | 79.8 | Confident | 76.6 | Confident | 32 Ų | 32 | 94.8 Ų | 94.8 | 19% | 0.194 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 175 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | I44 Q48 K49 K54 A55 H56 L78 | I44-V52 HydrophobicContact CD1-CB 4.28Å; I44-V52 HydrophobicContact CD1-CG1 3.72Å; I44-V52 HydrophobicContact CD1-CG2 4.22Å; I44-V52 HydrophobicContact CG2-CG2 4.01Å; Q48-V52 PolarHBondContact O-N 2.86Å; K49-V52 PolarHBondContact O-N 3.37Å; V52-K54 VanDerWaalsContact C-N 3.32Å; V52-K54 PolarHBondContact O-N 3.21Å; V52-A55 PolarHBondContact O-N 2.99Å; V52-H56 VanDerWaalsContact O-CB 3.29Å; V52-H56 WeakPolarHBondContact O-CB 3.41Å; V52-H56 PolarHBondContact O-N 3.36Å; V52-L78 HydrophobicContact CB-CD2 4.28Å; V52-L78 HydrophobicContact CG1-CD2 3.75Å; V52-L78 HydrophobicContact CG2-CD2 4.28Å |
| 53 | T | 81.5 | Confident | 74.9 | Confident | 66 Ų | 66 | 90.1 Ų | 90.1 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | K49 H56 R57 | K49-T53 WeakPolarHBondContact O-CB 3.1Å; K49-T53 PolarHBondContact O-N 3.3Å; K49-T53 PolarHBondContact O-OG1 3.12Å; T53-H56 PolarHBondContact O-N 2.96Å; T53-R57 WeakPolarHBondContact O-CB 3.41Å; T53-R57 WeakPolarHBondContact O-CG 3.24Å; T53-R57 PolarHBondContact O-N 2.87Å |
| 54 | K | 77.4 | Confident | 72.6 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61 | -50.7 | 174.2 | -174.7 | -176.3 | 176.6 | -179.2 | 0 | 110.8 | P50 Q51 V52 H56 R57 M58 | P50-K54 WeakPolarHBondContact O-CB 3.17Å; P50-K54 PolarHBondContact O-N 3.2Å; Q51-K54 PolarHBondContact O-N 3.37Å; V52-K54 VanDerWaalsContact C-N 3.32Å; V52-K54 PolarHBondContact O-N 3.21Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.39Å; K54-R57 PolarHBondContact O-N 3.44Å; K54-M58 HydrophobicContact CD-CE 4.44Å; K54-M58 HydrophobicContact CG-CE 4.05Å; K54-M58 HydrophobicContact CG-CG 4.48Å; K54-M58 HydrophobicContact CG-SD 4.13Å; K54-M58 VanDerWaalsContact O-CG 3.3Å; K54-M58 WeakPolarHBondContact O-CG 3.35Å; K54-M58 PolarHBondContact O-N 3.44Å |
| 55 | A | 71.3 | Confident | 70.6 | Confident | 12 Ų | 12 | 98.2 Ų | 98.2 | 10% | 0.099 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.4 | -35.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q51 V52 M58 G59 L78 | Q51-A55 WeakPolarHBondContact O-CB 3.47Å; Q51-A55 PolarHBondContact O-N 2.8Å; V52-A55 PolarHBondContact O-N 2.99Å; A55-M58 HydrophobicContact CB-CE 4.35Å; A55-M58 PolarHBondContact O-N 2.72Å; A55-G59 PolarHBondContact O-N 3.23Å; A55-L78 VanDerWaalsContact C-CD1 3.42Å; A55-L78 HydrophobicContact CB-CD1 3.52Å; A55-L78 HydrophobicContact CB-CD2 4.28Å; A55-L78 HydrophobicContact CB-CG 3.53Å |
| 56 | H | 74.6 | Confident | 68.5 | Low | 110 Ų | 110 | 99.7 Ų | 99.7 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 175.8 | 179.4 | -98.7 | 0 | 0 | 0 | 110.8 | V52 T53 K54 G59 L60 L78 | V52-H56 VanDerWaalsContact O-CB 3.29Å; V52-H56 WeakPolarHBondContact O-CB 3.41Å; V52-H56 PolarHBondContact O-N 3.36Å; T53-H56 PolarHBondContact O-N 2.96Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.39Å; H56-G59 PolarHBondContact O-N 2.82Å; H56-L60 WeakPolarHBondContact CE1-CD1 3.48Å; H56-L60 WeakPolarHBondContact O-CG 3.29Å; H56-L60 PolarHBondContact O-N 3.21Å; H56-L78 HydrophobicContact CB-CD1 4.15Å; H56-L78 VanDerWaalsContact N-CD1 3.33Å |
| 57 | R | 71.9 | Confident | 66.3 | Low | 176 Ų | 176 | 99 Ų | 99 | 66% | 0.664 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 173 | -74.6 | -178.9 | -176.5 | -177.9 | 1.4 | 111.8 | T53 K54 L60 A61 | T53-R57 WeakPolarHBondContact O-CB 3.41Å; T53-R57 WeakPolarHBondContact O-CG 3.24Å; T53-R57 PolarHBondContact O-N 2.87Å; K54-R57 PolarHBondContact O-N 3.44Å; R57-L60 PolarHBondContact O-N 3.34Å; R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 2.87Å |
| 58 | M | 67 | Low | 64.1 | Low | 66 Ų | 66 | 101.9 Ų | 101.9 | 33% | 0.325 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 176.8 | -69.6 | -176.4 | -48.9 | 0 | 0 | 111.5 | K54 A55 L60 A61 H62 | K54-M58 HydrophobicContact CD-CE 4.44Å; K54-M58 HydrophobicContact CG-CE 4.05Å; K54-M58 HydrophobicContact CG-CG 4.48Å; K54-M58 HydrophobicContact CG-SD 4.13Å; K54-M58 VanDerWaalsContact O-CG 3.3Å; K54-M58 WeakPolarHBondContact O-CG 3.35Å; K54-M58 PolarHBondContact O-N 3.44Å; A55-M58 HydrophobicContact CB-CE 4.35Å; A55-M58 PolarHBondContact O-N 2.72Å; M58-L60 VanDerWaalsContact C-N 3.33Å; M58-L60 PolarHBondContact O-N 2.92Å; M58-A61 CarbonylContact O-C 3.55Å; M58-A61 PolarHBondContact O-N 2.96Å; M58-H62 VanDerWaalsContact O-CB 3.24Å; M58-H62 WeakPolarHBondContact O-CB 3.47Å; M58-H62 PolarHBondContact O-CD2 3.2Å; M58-H62 PolarHBondContact O-N 3.47Å |
| 59 | G | 66.6 | Low | 62.5 | Low | 35 Ų | 35 | 108 Ų | 108 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A55 H56 | A55-G59 PolarHBondContact O-N 3.23Å; H56-G59 PolarHBondContact O-N 2.82Å |
| 60 | L | 61.8 | Low | 60.5 | Low | 128 Ų | 128 | 107.6 Ų | 107.6 | 67% | 0.67 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.9 | -35.3 | 173 | -70.4 | 175.4 | 0 | 0 | 0 | 112.9 | H56 R57 M58 | H56-L60 WeakPolarHBondContact CE1-CD1 3.48Å; H56-L60 WeakPolarHBondContact O-CG 3.29Å; H56-L60 PolarHBondContact O-N 3.21Å; R57-L60 PolarHBondContact O-N 3.34Å; M58-L60 VanDerWaalsContact C-N 3.33Å; M58-L60 PolarHBondContact O-N 2.92Å |
| 61 | A | 54.7 | Low | 58.6 | Low | 62 Ų | 62 | 112.9 Ų | 112.9 | 51% | 0.512 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -82.2 | -17.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R57 M58 S63 M64 | R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 2.87Å; M58-A61 CarbonylContact O-C 3.55Å; M58-A61 PolarHBondContact O-N 2.96Å; A61-S63 PolarHBondContact O-N 2.95Å; A61-M64 PolarHBondContact O-N 3.03Å |
| 62 | H | 52.9 | Low | 56.7 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 33% | 0.329 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | 56.3 | 174.8 | -79.7 | -27.2 | 0 | 0 | 0 | 112.3 | M58 D66 L115 | M58-H62 VanDerWaalsContact O-CB 3.24Å; M58-H62 WeakPolarHBondContact O-CB 3.47Å; M58-H62 PolarHBondContact O-CD2 3.2Å; M58-H62 PolarHBondContact O-N 3.47Å; H62-D66 IonicContact CE1-OD2 3.23Å; H62-D66 PolarHBondContact CE1-OD2 2.76Å; H62-D66 VanDerWaalsContact CE1-OD2 3.23Å; H62-D66 IonicContact NE2-OD2 3.77Å; H62-L115 HydrophobicContact CB-CD1 3.87Å |
| 63 | S | 46.9 | Very low | 55.3 | Low | 88 Ų | 88 | 117.8 Ų | 117.8 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -5.9 | 135.8 | -163.7 | 0 | 0 | 0 | 0 | 111.3 | A61 | A61-S63 PolarHBondContact O-N 2.95Š|
| 64 | M | 38.7 | Very low | 54 | Low | 143 Ų | 143 | 118.8 Ų | 118.8 | 70% | 0.704 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -140.8 | 119.8 | -179.4 | -62 | -163.2 | -67.7 | 0 | 0 | 112.6 | A61 | A61-M64 PolarHBondContact O-N 3.03Š|
| 65 | R | 41 | Very low | 53.4 | Low | 230 Ų | 230 | 116.2 Ų | 116.2 | 87% | 0.868 | 62% | 0.616 | S | S | * | * | trans | 36.6 | 108.9 | 148.8 | -55.5 | 178 | -163.8 | 173.4 | 4.2 | 117.9 | ||||
| 66 | D | 43.5 | Very low | 52.9 | Low | 98 Ų | 98 | 118.2 Ų | 118.2 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | trans | -123.4 | 84.8 | 143.2 | -91.7 | -34 | 0 | 0 | 0 | 109.5 | H62 N68 | H62-D66 IonicContact CE1-OD2 3.23Å; H62-D66 PolarHBondContact CE1-OD2 2.76Å; H62-D66 VanDerWaalsContact CE1-OD2 3.23Å; H62-D66 IonicContact NE2-OD2 3.77Å; D66-N68 VanDerWaalsContact C-N 3.32Å; D66-N68 PolarHBondContact O-N 2.77Å | ||
| 67 | E | 42.3 | Very low | 52.6 | Low | 159 Ų | 159 | 120.7 Ų | 120.7 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -79.6 | 86.5 | 148.8 | -71.4 | -171.3 | 140.9 | 0 | 0 | 106.3 | T18 | T18-E67 HydrophobicContact CG2-CG 4.44Š| ||
| 68 | N | 42.1 | Very low | 52.5 | Low | 150 Ų | 150 | 116.2 Ų | 116.2 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | trans | 175.7 | 73.8 | 157.8 | -88.6 | -31.7 | 0 | 0 | 0 | 109.8 | D66 S70 | D66-N68 VanDerWaalsContact C-N 3.32Å; D66-N68 PolarHBondContact O-N 2.77Å; N68-S70 PolarHBondContact O-N 3.1Å; N68-S70 VanDerWaalsContact O-N 3.11Å | ||
| 69 | R | 50.2 | Low | 52.8 | Low | 224 Ų | 224 | 118.8 Ų | 118.8 | 85% | 0.845 | 65% | 0.649 | S | S | * | * | trans | -80.6 | 88.7 | 169.9 | -157.6 | 175.9 | -172 | 179.4 | -0.2 | 108.3 | E71 | R69-E71 PolarHBondContact O-N 3.07Š| ||
| 70 | S | 41.4 | Very low | 53.1 | Low | 98 Ų | 98 | 122 Ų | 122 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | trans | -69.6 | 115.3 | 163.4 | 65.3 | 0 | 0 | 0 | 0 | 108.3 | N68 S72 | N68-S70 PolarHBondContact O-N 3.1Å; N68-S70 VanDerWaalsContact O-N 3.11Å; S70-S72 PolarHBondContact O-N 3.05Å | ||
| 71 | E | 44.1 | Very low | 53.7 | Low | 199 Ų | 199 | 120 Ų | 120 | 93% | 0.93 | 66% | 0.655 | S | S | * | * | trans | -65.8 | 74.9 | 173.8 | -66.8 | 175.5 | 145.3 | 0 | 0 | 111.1 | R69 | R69-E71 PolarHBondContact O-N 3.07Š| ||
| 72 | S | 42.3 | Very low | 54.6 | Low | 80 Ų | 80 | 121.4 Ų | 121.4 | 56% | 0.559 | 65% | 0.654 | S | S | * | * | trans | -105.6 | 117.9 | 160.9 | 62.3 | 0 | 0 | 0 | 0 | 107.7 | S70 S74 | S70-S72 PolarHBondContact O-N 3.05Å; S72-S74 PolarHBondContact O-N 3.5Å | ||
| 73 | S | 49.7 | Very low | 55.5 | Low | 139 Ų | 139 | 125.2 Ų | 125.2 | 97% | 0.972 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -71.5 | 26.5 | -157.4 | 81.4 | 0 | 0 | 0 | 0 | 117 | ||
| 74 | S | 54.2 | Low | 56.5 | Low | 88 Ų | 88 | 124.6 Ų | 124.6 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | trans | -130.8 | 61.4 | 176.2 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | S72 C76 | S72-S74 PolarHBondContact O-N 3.5Å; S74-C76 PolarHBondContact O-N 3.35Å | ||
| 75 | S | 64.9 | Low | 57.8 | Low | 85 Ų | 85 | 119.7 Ų | 119.7 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | trans | -77.4 | 102.1 | 173.7 | 64.9 | 0 | 0 | 0 | 0 | 109.5 | K77 | S75-K77 PolarHBondContact O-N 3.47Š| ||
| 76 | C | 60 | Low | 58.9 | Low | 53 Ų | 53 | 111.9 Ų | 111.9 | 36% | 0.358 | 63% | 0.629 | S | S | . | * | trans | -64 | 125.4 | 166.5 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | Q51 S74 | Q51-C76 HydrophobicContact CB-CB 3.91Å; S74-C76 PolarHBondContact O-N 3.35Å | ||
| 77 | K | 69.4 | Low | 59.7 | Low | 163 Ų | 163 | 111.7 Ų | 111.7 | 71% | 0.709 | 63% | 0.631 | S | S | * | * | trans | -104.4 | 136.4 | 173.2 | -65.7 | -178.2 | -179 | 178.2 | 0 | 108.7 | S75 | S75-K77 PolarHBondContact O-N 3.47Š| ||
| 78 | L | 69.2 | Low | 60.5 | Low | 82 Ų | 82 | 105.9 Ų | 105.9 | 43% | 0.429 | 60% | 0.604 | S | S | . | * | trans | -82.4 | 131.2 | 169.8 | -69.1 | 175 | 0 | 0 | 0 | 109.4 | V52 A55 H56 | V52-L78 HydrophobicContact CB-CD2 4.28Å; V52-L78 HydrophobicContact CG1-CD2 3.75Å; V52-L78 HydrophobicContact CG2-CD2 4.28Å; A55-L78 VanDerWaalsContact C-CD1 3.42Å; A55-L78 HydrophobicContact CB-CD1 3.52Å; A55-L78 HydrophobicContact CB-CD2 4.28Å; A55-L78 HydrophobicContact CB-CG 3.53Å; H56-L78 HydrophobicContact CB-CD1 4.15Å; H56-L78 VanDerWaalsContact N-CD1 3.33Å | ||
| 79 | C | 72.9 | Confident | 61.4 | Low | 120 Ų | 120 | 103.7 Ų | 103.7 | 81% | 0.811 | 59% | 0.592 | S | S | * | * | trans | -124.3 | 123.7 | 172.3 | -66 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 80 | C | 74 | Confident | 61.7 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 69% | 0.689 | 59% | 0.594 | S | S | * | * | trans | -84.3 | 133 | 171.7 | -60.4 | 0 | 0 | 0 | 0 | 108.9 | N82 | C80-N82 WeakPolarHBondContact CB-OD1 3.41Å; C80-N82 PolarHBondContact O-N 3.12Å; C80-N82 VanDerWaalsContact O-N 3.12Å | ||
| 81 | D | 73.9 | Confident | 62.9 | Low | 85 Ų | 85 | 105.3 Ų | 105.3 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | trans | -81.3 | 88.5 | 173 | -172.8 | -2.9 | 0 | 0 | 0 | 109.2 | R42 Q83 | R42-D81 IonicContact CZ-OD2 3.81Å; R42-D81 IonicContact NH2-OD2 2.73Å; R42-D81 PolarHBondContact NH2-OD2 3.02Å; D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.22Å; D81-Q83 PolarHBondContact OD1-N 3.26Å | ||
| 82 | N | 72.6 | Confident | 63.6 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | trans | -91.8 | 15.1 | -178 | -66.2 | -20.1 | 0 | 0 | 0 | 112.4 | C80 S84 L85 A86 | C80-N82 WeakPolarHBondContact CB-OD1 3.41Å; C80-N82 PolarHBondContact O-N 3.12Å; C80-N82 VanDerWaalsContact O-N 3.12Å; N82-S84 PolarHBondContact O-N 3.15Å; N82-L85 PolarHBondContact O-N 3.03Å; N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 2.99Å | ||
| 83 | Q | 72.3 | Confident | 64.7 | Low | 152 Ų | 152 | 105.2 Ų | 105.2 | 71% | 0.71 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -38.4 | -173.5 | -170.8 | 176.4 | 39.7 | 0 | 0 | 112.5 | D81 L85 | D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.22Å; D81-Q83 PolarHBondContact OD1-N 3.26Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.97Å |
| 84 | S | 68 | Low | 65.7 | Low | 74 Ų | 74 | 103.4 Ų | 103.4 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -32.7 | 176.8 | -51.1 | 0 | 0 | 0 | 0 | 113 | N82 T87 | N82-S84 PolarHBondContact O-N 3.15Å; S84-T87 PolarHBondContact O-OG1 2.72Å |
| 85 | L | 65.9 | Low | 66.7 | Low | 40 Ų | 40 | 110.7 Ų | 110.7 | 21% | 0.209 | 60% | 0.602 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -35.5 | 179.3 | -71.7 | 154.2 | 0 | 0 | 0 | 112 | L29 L31 F39 N82 Q83 T87 Q88 | L29-L85 HydrophobicContact CD2-CD2 4.02Å; L31-L85 HydrophobicContact CD2-CD2 3.99Å; F39-L85 HydrophobicContact CE2-CD1 4.19Å; F39-L85 HydrophobicContact CZ-CD1 3.85Å; F39-L85 HydrophobicContact CZ-CG 4Å; N82-L85 PolarHBondContact O-N 3.03Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.97Å; L85-T87 PolarHBondContact O-N 3.32Å; L85-Q88 WeakPolarHBondContact O-CB 2.95Å; L85-Q88 PolarHBondContact O-N 3.23Å; L85-Q88 VanDerWaalsContact O-N 3.12Å |
| 86 | A | 64.1 | Low | 66.7 | Low | 67 Ų | 67 | 116.6 Ų | 116.6 | 55% | 0.554 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -14.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N82 Q88 | N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 2.99Å; A86-Q88 PolarHBondContact O-N 3.38Å |
| 87 | T | 60.5 | Low | 67.3 | Low | 94 Ų | 94 | 122.5 Ų | 122.5 | 58% | 0.577 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -7 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | S84 L85 | S84-T87 PolarHBondContact O-OG1 2.72Å; L85-T87 PolarHBondContact O-N 3.32Å |
| 88 | Q | 59.1 | Low | 67.2 | Low | 36 Ų | 36 | 123.8 Ų | 123.8 | 17% | 0.168 | 65% | 0.648 | C | S | . | * | S | Bend | trans | -103.6 | -20.9 | -170.4 | -63.1 | -176.9 | -32.8 | 0 | 0 | 114.3 | L31 M35 L85 A86 | L31-Q88 VanDerWaalsContact CD2-OE1 3.26Å; M35-Q88 HydrophobicContact CE-CG 4.46Å; L85-Q88 WeakPolarHBondContact O-CB 2.95Å; L85-Q88 PolarHBondContact O-N 3.23Å; L85-Q88 VanDerWaalsContact O-N 3.12Å; A86-Q88 PolarHBondContact O-N 3.38Å |
| 89 | D | 60.1 | Low | 67.2 | Low | 105 Ų | 105 | 126 Ų | 126 | 56% | 0.561 | 66% | 0.66 | S | S | * | * | trans | -123.7 | 121.5 | -175.5 | -170.3 | 26.1 | 0 | 0 | 0 | 111.4 | ||||
| 90 | Q | 58.2 | Low | 66.7 | Low | 186 Ų | 186 | 127.3 Ų | 127.3 | 87% | 0.869 | 66% | 0.659 | S | S | * | * | trans | -123.8 | 92.4 | 176.1 | -72.9 | -169.9 | -4.5 | 0 | 0 | 108.5 | ||||
| 91 | H | 65.5 | Low | 66.1 | Low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.787 | 67% | 0.669 | S | S | * | * | trans | -78.3 | 123.8 | 165.1 | -165.3 | -71.5 | 0 | 0 | 0 | 109.4 | S93 | H91-S93 PolarHBondContact O-N 3.44Š| ||
| 92 | Q | 59.6 | Low | 65.4 | Low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | -73.3 | 116 | 175.1 | -167.3 | 173 | 13.8 | 0 | 0 | 109.1 | ||||
| 93 | S | 64.5 | Low | 65.2 | Low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 125.7 | 168.9 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | H91 | H91-S93 PolarHBondContact O-N 3.44Š|
| 94 | S | 70 | Confident | 64.7 | Low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 137.9 | 172.6 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 95 | R | 75.3 | Confident | 64.8 | Low | 241 Ų | 241 | 136.1 Ų | 136.1 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.8 | 167.5 | -72.2 | -175.6 | 175.7 | -177.8 | -1.3 | 108.9 | E97 | R95-E97 PolarHBondContact O-N 3.3Š|
| 96 | F | 66.4 | Low | 64.9 | Low | 208 Ų | 208 | 139.2 Ų | 139.2 | 91% | 0.912 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 128.3 | 172.7 | -68.5 | -83.2 | 0 | 0 | 0 | 109.6 | ||
| 97 | E | 72.3 | Confident | 65.3 | Low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 145.8 | 165.8 | -66.2 | -176 | 168.4 | 0 | 0 | 109.3 | R95 L99 | R95-E97 PolarHBondContact O-N 3.3Å; E97-L99 PolarHBondContact O-N 2.83Å |
| 98 | E | 67.7 | Low | 65.8 | Low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 122.3 | -178.1 | -167.4 | 171.5 | -178.8 | 0 | 0 | 110.3 | ||
| 99 | L | 67.7 | Low | 66.4 | Low | 129 Ų | 129 | 148.9 Ų | 148.9 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 124.7 | 175.4 | -67.7 | 169.9 | 0 | 0 | 0 | 109.1 | E97 G101 L105 | E97-L99 PolarHBondContact O-N 2.83Å; L99-G101 PolarHBondContact O-N 3.25Å; L99-L105 HydrophobicContact CD1-CD2 3.81Å |
| 100 | N | 63.1 | Low | 66.7 | Low | 147 Ų | 147 | 149 Ų | 149 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 133.7 | 176.9 | -73.8 | -18.8 | 0 | 0 | 0 | 111.2 | E102 | N100-E102 PolarHBondContact O-N 2.81Š|
| 101 | G | 61.8 | Low | 67.1 | Low | 87 Ų | 87 | 145.8 Ų | 145.8 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 31.8 | -160.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | L99 | L99-G101 PolarHBondContact O-N 3.25Š|
| 102 | E | 58.3 | Low | 66.8 | Low | 194 Ų | 194 | 142.1 Ų | 142.1 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 5.3 | 179.6 | -64.4 | -168.9 | 157.5 | 0 | 0 | 114.1 | N100 | N100-E102 PolarHBondContact O-N 2.81Š|
| 103 | T | 69 | Low | 66.6 | Low | 107 Ų | 107 | 134.2 Ų | 134.2 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -120.7 | 136.1 | -174.4 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | L105 | T103-L105 PolarHBondContact O-N 3.48Š|
| 104 | L | 61 | Low | 66.2 | Low | 179 Ų | 179 | 137.5 Ų | 137.5 | 94% | 0.937 | 73% | 0.727 | S | S | * | * | trans | -66.5 | 121.6 | 167.8 | -71.4 | 171.5 | 0 | 0 | 0 | 109.5 | ||||
| 105 | L | 70.1 | Confident | 65.4 | Low | 122 Ų | 122 | 137.5 Ų | 137.5 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | -102.4 | 136.2 | -179.9 | -62.4 | 172.3 | 0 | 0 | 0 | 110.8 | L99 T103 | L99-L105 HydrophobicContact CD1-CD2 3.81Å; T103-L105 PolarHBondContact O-N 3.48Å | ||
| 106 | S | 68.2 | Low | 63.9 | Low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | trans | -110.9 | 120.6 | 166.3 | 61.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 107 | V | 72.8 | Confident | 62.9 | Low | 142 Ų | 142 | 121 Ų | 121 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | trans | -96.8 | 124.2 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 108 | I | 71.8 | Confident | 61.8 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 59% | 0.59 | 65% | 0.654 | S | S | * | * | trans | -115.2 | 112.3 | 175.4 | -58.6 | 174.6 | 0 | 0 | 0 | 106.9 | L110 | I108-L110 HydrophobicContact CG2-CD2 3.93Å; I108-L110 HydrophobicContact CG2-CG 4.45Å | ||
| 109 | D | 71.2 | Confident | 60.2 | Low | 143 Ų | 143 | 115.8 Ų | 115.8 | 77% | 0.765 | 64% | 0.635 | S | S | * | * | trans | -84.9 | 117.9 | 169.9 | -168.3 | 8 | 0 | 0 | 0 | 108.7 | ||||
| 110 | L | 66.8 | Low | 58.5 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 64% | 0.637 | S | S | * | * | trans | -89.7 | 112.7 | 178.8 | -65.1 | 175.7 | 0 | 0 | 0 | 108.2 | I108 I112 | I108-L110 HydrophobicContact CG2-CD2 3.93Å; I108-L110 HydrophobicContact CG2-CG 4.45Å; L110-I112 HydrophobicContact CB-CD1 4.12Å; L110-I112 HydrophobicContact CB-CG1 3.69Å; L110-I112 HydrophobicContact CD1-CD1 4.39Å; L110-I112 PolarHBondContact O-N 3.45Å | ||
| 111 | Q | 66.2 | Low | 56.8 | Low | 120 Ų | 120 | 114.5 Ų | 114.5 | 56% | 0.561 | 63% | 0.634 | S | S | * | * | trans | -74.1 | 73.1 | 169.7 | -166.7 | 68.7 | 37.6 | 0 | 0 | 109.7 | V19 G113 | V19-Q111 HydrophobicContact CG2-CG 4.21Å; Q111-G113 PolarHBondContact O-N 3.28Å | ||
| 112 | I | 59.8 | Low | 55.2 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 47% | 0.472 | 63% | 0.634 | S | S | . | * | B | Isolated β-bridge | trans | -72.6 | 124.2 | -178.4 | -57.4 | -173.1 | 0 | 0 | 0 | 109.7 | F22 L110 I114 | F22-I112 HydrophobicContact CD2-CG2 4.07Å; F22-I112 HydrophobicContact CE2-CB 4.06Å; F22-I112 HydrophobicContact CE2-CD1 3.93Å; F22-I112 HydrophobicContact CE2-CG1 3.71Å; F22-I112 HydrophobicContact CE2-CG2 3.59Å; F22-I112 HydrophobicContact CZ-CD1 4Å; F22-I112 HydrophobicContact CZ-CG1 4.09Å; L110-I112 HydrophobicContact CB-CD1 4.12Å; L110-I112 HydrophobicContact CB-CG1 3.69Å; L110-I112 HydrophobicContact CD1-CD1 4.39Å; L110-I112 PolarHBondContact O-N 3.45Å; I112-I114 PolarHBondContact O-N 3.2Å |
| 113 | G | 53.9 | Low | 53.7 | Low | 8 Ų | 8 | 118.1 Ų | 118.1 | 8% | 0.082 | 63% | 0.626 | C | S | . | * | trans | -82.6 | 111.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q111 L115 S116 | Q111-G113 PolarHBondContact O-N 3.28Å; G113-L115 PolarHBondContact O-N 3.41Å; G113-S116 WeakPolarHBondContact O-CB 3.44Å; G113-S116 PolarHBondContact O-N 3.06Å | ||
| 114 | I | 57.1 | Low | 51.8 | Low | 173 Ų | 173 | 118.8 Ų | 118.8 | 89% | 0.887 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -12.8 | 163.5 | -57.5 | 172.8 | 0 | 0 | 0 | 110.9 | I112 S116 | I112-I114 PolarHBondContact O-N 3.2Å; I114-S116 VanDerWaalsContact C-N 3.26Å; I114-S116 PolarHBondContact O-N 3.15Å |
| 115 | L | 52.6 | Low | 50.2 | Low | 101 Ų | 101 | 118.8 Ų | 118.8 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | 4.2 | 179.6 | -57.7 | 176.8 | 0 | 0 | 0 | 114.3 | H62 G113 N117 | H62-L115 HydrophobicContact CB-CD1 3.87Å; G113-L115 PolarHBondContact O-N 3.41Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.25Å; L115-N117 VanDerWaalsContact O-N 3.1Å |
| 116 | S | 44.7 | Very low | 48.1 | Very low | 22 Ų | 22 | 118.9 Ų | 118.9 | 15% | 0.154 | 63% | 0.631 | C | S | . | * | trans | -86.8 | 56.9 | -175.1 | -176 | 0 | 0 | 0 | 0 | 113.1 | T21 F22 G113 I114 | T21-S116 VanDerWaalsContact CA-OG 3.29Å; T21-S116 WeakPolarHBondContact CA-OG 3.4Å; T21-S116 WeakPolarHBondContact CG2-OG 3.3Å; F22-S116 PolarHBondContact N-OG 2.9Å; F22-S116 PolarHBondContact O-OG 3.34Å; G113-S116 WeakPolarHBondContact O-CB 3.44Å; G113-S116 PolarHBondContact O-N 3.06Å; I114-S116 VanDerWaalsContact C-N 3.26Å; I114-S116 PolarHBondContact O-N 3.15Å | ||
| 117 | N | 45.7 | Very low | 46.1 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | trans | -122.8 | 115 | 163.5 | -163.1 | -22 | 0 | 0 | 0 | 109.5 | L115 N119 | L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.25Å; L115-N117 VanDerWaalsContact O-N 3.1Å; N117-N119 PolarHBondContact O-N 3.48Å; N117-N119 PolarHBondContact OD1-N 2.9Å | ||
| 118 | K | 47.3 | Very low | 43.9 | Very low | 164 Ų | 164 | 115.6 Ų | 115.6 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | trans | -83.5 | 15.5 | -177.6 | -78.1 | -165.9 | 174.1 | -175.9 | 0 | 113.8 | P120 | K118-P120 WeakPolarHBondContact O-CD 3.29Š| ||
| 119 | N | 34.9 | Very low | 41.8 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | trans | -117.1 | 88 | 175.1 | -104.3 | -40.3 | 0 | 0 | 0 | 113 | N117 L121 | N117-N119 PolarHBondContact O-N 3.48Å; N117-N119 PolarHBondContact OD1-N 2.9Å; N119-L121 PolarHBondContact O-N 2.79Å; N119-L121 VanDerWaalsContact O-N 3.15Å | ||
| 120 | P | 32.2 | Very low | 40 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | trans | -74 | 16.5 | 164.9 | 30 | -32.2 | 0 | 0 | 0 | 113.6 | K118 | K118-P120 WeakPolarHBondContact O-CD 3.29Š| ||
| 121 | L | 27.9 | Very low | 38.3 | Very low | 141 Ų | 141 | 122 Ų | 122 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | trans | -119.8 | 58.9 | -171.6 | -73.8 | 163.5 | 0 | 0 | 0 | 111.9 | N119 | N119-L121 PolarHBondContact O-N 2.79Å; N119-L121 VanDerWaalsContact O-N 3.15Å | ||
| 122 | R | 27.7 | Very low | 36.8 | Very low | 238 Ų | 238 | 123.7 Ų | 123.7 | 90% | 0.898 | 64% | 0.644 | S | S | * | * | trans | -170.7 | 28.4 | 154.1 | -108.4 | 175.6 | -163.9 | -154.9 | 6 | 112.7 | T124 | R122-T124 VanDerWaalsContact C-N 3.3Å; R122-T124 PolarHBondContact O-N 3.35Å; R122-T124 VanDerWaalsContact O-N 3.07Å | ||
| 123 | T | 27.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 72% | 0.724 | 66% | 0.656 | S | S | * | * | trans | -72 | 100.6 | 155.1 | -29.6 | 0 | 0 | 0 | 0 | 104.6 | E125 | T123-E125 VanDerWaalsContact C-N 3.34Å; T123-E125 PolarHBondContact O-N 2.9Å | ||
| 124 | T | 27.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | -45.2 | 112.2 | 156.1 | -16.6 | 0 | 0 | 0 | 0 | 104.9 | R122 V126 | R122-T124 VanDerWaalsContact C-N 3.3Å; R122-T124 PolarHBondContact O-N 3.35Å; R122-T124 VanDerWaalsContact O-N 3.07Å; T124-V126 PolarHBondContact O-N 3.33Å | ||
| 125 | E | 26.9 | Very low | 33.7 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 84% | 0.841 | 69% | 0.691 | S | S | * | * | trans | -57.2 | 91.8 | 169.1 | -70.5 | 179.3 | 149.4 | 0 | 0 | 105.9 | T123 S127 | T123-E125 VanDerWaalsContact C-N 3.34Å; T123-E125 PolarHBondContact O-N 2.9Å; E125-S127 PolarHBondContact O-N 2.87Å | ||
| 126 | V | 26.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | trans | -73.5 | 74.9 | 154.6 | -172.5 | 0 | 0 | 0 | 0 | 103.8 | T124 C128 | T124-V126 PolarHBondContact O-N 3.33Å; V126-C128 PolarHBondContact O-N 3.05Å | ||
| 127 | S | 26 | Very low | 32.8 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 57% | 0.573 | 76% | 0.756 | S | S | * | * | trans | -66.2 | 92.2 | 166.6 | -170.9 | 0 | 0 | 0 | 0 | 105.9 | E125 E129 | E125-S127 PolarHBondContact O-N 2.87Å; S127-E129 PolarHBondContact O-N 3.2Å | ||
| 128 | C | 26.5 | Very low | 32.2 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | -73.2 | 74 | 160.2 | -67.5 | 0 | 0 | 0 | 0 | 106.9 | V126 H130 | V126-C128 PolarHBondContact O-N 3.05Å; C128-H130 VanDerWaalsContact C-N 3.29Å; C128-H130 PolarHBondContact O-N 3.36Å | ||
| 129 | E | 27.7 | Very low | 31.4 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -63.1 | 100.9 | 158.7 | -82.8 | -172.9 | 151.2 | 0 | 0 | 106.8 | S127 H131 | S127-E129 PolarHBondContact O-N 3.2Å; E129-H131 VanDerWaalsContact C-N 3.35Å; E129-H131 PolarHBondContact O-N 2.82Å | ||
| 130 | H | 33 | Very low | 31.2 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -61.2 | 101.6 | 163.1 | -85.3 | -115.3 | 0 | 0 | 0 | 107.5 | C128 L132 | C128-H130 VanDerWaalsContact C-N 3.29Å; C128-H130 PolarHBondContact O-N 3.36Å; H130-L132 VanDerWaalsContact C-N 3.28Å; H130-L132 PolarHBondContact O-N 3.47Å | ||
| 131 | H | 30.9 | Very low | 31.2 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -57.3 | 97.5 | 154.8 | -78.6 | -31 | 0 | 0 | 0 | 107.9 | E129 P133 | E129-H131 VanDerWaalsContact C-N 3.35Å; E129-H131 PolarHBondContact O-N 2.82Å; H131-P133 WeakPolarHBondContact O-CD 3.47Å | ||
| 132 | L | 36.1 | Very low | 31.4 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -65.6 | 120.9 | 157.6 | -81.7 | 159.7 | 0 | 0 | 0 | 106.4 | H130 E134 | H130-L132 VanDerWaalsContact C-N 3.28Å; H130-L132 PolarHBondContact O-N 3.47Å; L132-E134 PolarHBondContact O-N 3.24Å; L132-E134 VanDerWaalsContact O-N 3.15Å | ||
| 133 | P | 35 | Very low | 31.6 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 117.6 | 174.4 | 24.2 | -29.5 | 0 | 0 | 0 | 109 | H131 T135 | H131-P133 WeakPolarHBondContact O-CD 3.47Å; P133-T135 VanDerWaalsContact C-N 3.31Å; P133-T135 PolarHBondContact O-N 3.13Å | ||
| 134 | E | 34.3 | Very low | 31.9 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -60.1 | 96.5 | 157.1 | -81 | -176.3 | 144.1 | 0 | 0 | 107.4 | L132 | L132-E134 PolarHBondContact O-N 3.24Å; L132-E134 VanDerWaalsContact O-N 3.15Å |
| 135 | T | 35.7 | Very low | 32.2 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 168 | 104.2 | 148.3 | 27.4 | 0 | 0 | 0 | 0 | 110.1 | P133 | P133-T135 VanDerWaalsContact C-N 3.31Å; P133-T135 PolarHBondContact O-N 3.13Å | ||
| 136 | A | 36.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -168.6 | 109.3 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 137 | I | 42.8 | Very low | 33.1 | Very low | 250 Ų | 250 | 146.4 Ų | 146.4 | 100% | 1.282 | 80% | 0.803 | S | S | * | * | trans | 85.2 | 0 | 173.9 | -40.3 | 173.5 | 0 | 0 | 0 | 115.2 |
Retrieved 137 of 137 residues in 108.1 ms
(Link to these results)