| 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 | P | 40.9 | Very low | 47.3 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 100% | 1.123 | 83% | 0.826 | S | S | * | * | 0 | 153 | 0 | 29.7 | -38.2 | 0 | 0 | 0 | 109.1 | |||||
| 2 | P | 53.8 | Low | 47.4 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | cis | -67.2 | -136.1 | -22.6 | 36.8 | -38.4 | 0 | 0 | 0 | 108.9 | ||||
| 3 | S | 39.8 | Very low | 47.1 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | cis | -153.6 | 161 | -8.1 | 38 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | S | 49.4 | Very low | 46.8 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | cis | 93.5 | 119.8 | 14.8 | -50.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 5 | L | 51.8 | Low | 46.8 | Very low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -64.3 | 172.6 | -170.4 | -57.8 | 167.7 | 0 | 0 | 0 | 114.9 | ||||
| 6 | P | 54.4 | Low | 46.3 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | -114.7 | 125.8 | 119.3 | 32.9 | -32.8 | 0 | 0 | 0 | 112.4 | |||||
| 7 | S | 51.6 | Low | 46.3 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -77.1 | 141.7 | 163.3 | -51.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 8 | N | 37.1 | Very low | 46.6 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | -153.1 | 110.9 | 150.5 | -149.2 | -11.9 | 0 | 0 | 0 | 113 | ||||
| 9 | N | 48.4 | Very low | 46.5 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -94.9 | 104.2 | 168.1 | -88.5 | -3.1 | 0 | 0 | 0 | 108.9 | ||||
| 10 | S | 48.5 | Very low | 46.7 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -160.7 | 112.5 | 156.7 | -169 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | R | 44.2 | Very low | 46.8 | Very low | 228 Ų | 228 | 143.6 Ų | 143.6 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | 175.6 | 134.2 | 101.4 | -175 | 163.6 | -176.3 | 177.5 | 1.2 | 111 | |||||
| 12 | V | 48.3 | Very low | 47.1 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -84.8 | 140.9 | 166 | 164.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 13 | G | 43.9 | Very low | 46.8 | Very low | 55 Ų | 55 | 143.8 Ų | 143.8 | 57% | 0.567 | 80% | 0.799 | S | S | * | * | trans | 104.4 | 135.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 14 | S | 43.4 | Very low | 47.1 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | -144 | 162.4 | 10.8 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 15 | N | 46.3 | Very low | 47.2 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -54.3 | 133.4 | 169.6 | 51.7 | -54.6 | 0 | 0 | 0 | 113.1 | ||||
| 16 | S | 38.6 | Very low | 47.3 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -144.4 | 149.8 | 158.1 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 17 | S | 47.4 | Very low | 47.3 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 159.5 | -163.6 | -53.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 18 | E | 50.2 | Low | 47 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -5.6 | 116.6 | 147 | -60.2 | 158.9 | 111.3 | 0 | 0 | 117.1 | ||||
| 19 | E | 45.3 | Very low | 47.8 | Very low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | -158.3 | 99.5 | 125.4 | -115.8 | -169 | 116.8 | 0 | 0 | 111.8 | |||||
| 20 | K | 51.3 | Low | 48 | Very low | 201 Ų | 201 | 145.1 Ų | 145.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -153.9 | 150.3 | 162.4 | -103.6 | -178.8 | -177.6 | 174.8 | 0 | 106.5 | ||||
| 21 | K | 47.8 | Very low | 48 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | 75.7 | 137.8 | -157.8 | -44.9 | -93.8 | -170.8 | 170.7 | 0 | 109.7 | ||||
| 22 | H | 47.1 | Very low | 48.5 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | cis | -150.4 | 153.1 | -10.2 | -151.8 | -102.3 | 0 | 0 | 0 | 107.9 | D24 | H22-D24 PolarHBondContact O-N 2.87Š| ||
| 23 | L | 48.3 | Very low | 49.1 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | -69.9 | 116.4 | 159.5 | -110 | 65.6 | 0 | 0 | 0 | 107.1 | T25 | L23-T25 PolarHBondContact O-N 3.34Š| ||
| 24 | D | 46.8 | Very low | 49.7 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | trans | -79.5 | 58.8 | 171.8 | -149.5 | -79.2 | 0 | 0 | 0 | 109 | H22 K26 | H22-D24 PolarHBondContact O-N 2.87Å; D24-K26 PolarHBondContact O-N 2.84Å; D24-K26 IonicContact OD1-NZ 2.74Å; D24-K26 PolarHBondContact OD1-NZ 3.45Å; D24-K26 IonicContact OD2-NZ 3.6Å | ||
| 25 | T | 49.8 | Very low | 50.7 | Low | 103 Ų | 103 | 141.9 Ų | 141.9 | 63% | 0.632 | 73% | 0.734 | S | S | * | * | trans | -70.4 | 81.6 | 168.9 | -55.9 | 0 | 0 | 0 | 0 | 107.3 | L23 E27 | L23-T25 PolarHBondContact O-N 3.34Å; T25-E27 HydrophobicContact CG2-CB 4.44Å; T25-E27 PolarHBondContact O-N 3.12Å | ||
| 26 | K | 55.2 | Low | 51.2 | Low | 164 Ų | 164 | 135.9 Ų | 135.9 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -76.3 | 41.7 | -177.2 | -136.1 | 177.9 | -148 | 100.7 | 0 | 112.2 | D24 N28 | D24-K26 PolarHBondContact O-N 2.84Å; D24-K26 IonicContact OD1-NZ 2.74Å; D24-K26 PolarHBondContact OD1-NZ 3.45Å; D24-K26 IonicContact OD2-NZ 3.6Å; K26-N28 PolarHBondContact O-N 3.41Å | ||
| 27 | E | 54.5 | Low | 52.3 | Low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | -72.5 | 76.2 | 164.2 | -167.9 | -174 | -171.3 | 0 | 0 | 108.2 | T25 | T25-E27 HydrophobicContact CG2-CB 4.44Å; T25-E27 PolarHBondContact O-N 3.12Å | ||
| 28 | N | 45.6 | Very low | 53.6 | Low | 120 Ų | 120 | 139 Ų | 139 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | trans | -134 | 62.7 | 174.3 | -161.8 | 61.2 | 0 | 0 | 0 | 109 | K26 H30 | K26-N28 PolarHBondContact O-N 3.41Å; N28-H30 WeakPolarHBondContact ND2-CB 3.42Å; N28-H30 PolarHBondContact O-N 3.22Å | ||
| 29 | T | 52.8 | Low | 55 | Low | 138 Ų | 138 | 135.4 Ų | 135.4 | 85% | 0.847 | 69% | 0.69 | S | S | * | * | trans | -68.6 | 48.1 | 161.9 | -45.8 | 0 | 0 | 0 | 0 | 109.7 | F31 | T29-F31 PolarHBondContact O-N 3.48Š| ||
| 30 | H | 52.7 | Low | 56.8 | Low | 127 Ų | 127 | 130 Ų | 130 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | trans | -76.2 | 79.5 | 176.9 | -168.5 | -63.1 | 0 | 0 | 0 | 107.5 | N28 S32 | N28-H30 WeakPolarHBondContact ND2-CB 3.42Å; N28-H30 PolarHBondContact O-N 3.22Å; H30-S32 PolarHBondContact CE1-OG 2.69Å; H30-S32 PolarHBondContact ND1-OG 2.82Å; H30-S32 PolarHBondContact O-N 2.73Å | ||
| 31 | F | 49.4 | Very low | 58.4 | Low | 162 Ų | 162 | 130.4 Ų | 130.4 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | trans | -67.5 | 77.1 | 171.1 | -175.5 | -112.3 | 0 | 0 | 0 | 109.1 | T29 Q33 | T29-F31 PolarHBondContact O-N 3.48Å; F31-Q33 VanDerWaalsContact C-N 3.28Å; F31-Q33 HydrophobicContact CD1-CG 3.86Å; F31-Q33 HydrophobicContact CE1-CG 3.47Å; F31-Q33 VanDerWaalsContact CE1-CG 3.47Å; F31-Q33 HydrophobicContact CZ-CG 4.31Å; F31-Q33 PolarHBondContact O-N 3.14Å | ||
| 32 | S | 53.8 | Low | 60.2 | Low | 81 Ų | 81 | 124.1 Ų | 124.1 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | trans | -61.1 | 92.4 | 167 | -68.3 | 0 | 0 | 0 | 0 | 108 | H30 P34 | H30-S32 PolarHBondContact CE1-OG 2.69Å; H30-S32 PolarHBondContact ND1-OG 2.82Å; H30-S32 PolarHBondContact O-N 2.73Å; S32-P34 VanDerWaalsContact O-CD 3.3Å; S32-P34 WeakPolarHBondContact O-CD 3.45Å; S32-P34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | Q | 60.8 | Low | 61.9 | Low | 79 Ų | 79 | 122.4 Ų | 122.4 | 37% | 0.369 | 63% | 0.634 | S | S | . | * | trans | -54.5 | 119 | 164 | -78.3 | -167.5 | -30.8 | 0 | 0 | 107.4 | F31 N35 | F31-Q33 VanDerWaalsContact C-N 3.28Å; F31-Q33 HydrophobicContact CD1-CG 3.86Å; F31-Q33 HydrophobicContact CE1-CG 3.47Å; F31-Q33 VanDerWaalsContact CE1-CG 3.47Å; F31-Q33 HydrophobicContact CZ-CG 4.31Å; F31-Q33 PolarHBondContact O-N 3.14Å; Q33-N35 VanDerWaalsContact C-N 3.35Å; Q33-N35 PolarHBondContact O-N 3.24Å | ||
| 34 | P | 57.5 | Low | 63.6 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 77% | 0.773 | 61% | 0.605 | S | S | * | * | trans | -73.4 | 89.7 | -171.6 | 28.1 | -34.3 | 0 | 0 | 0 | 110.6 | S32 S36 | S32-P34 VanDerWaalsContact O-CD 3.3Å; S32-P34 WeakPolarHBondContact O-CD 3.45Å; S32-P34 VanDerWaalsContact O-N 3.12Å; P34-S36 PolarHBondContact O-N 3.48Å | ||
| 35 | N | 63.9 | Low | 65.2 | Low | 145 Ų | 145 | 113.2 Ų | 113.2 | 78% | 0.775 | 59% | 0.588 | S | S | * | * | trans | 38.3 | 65.3 | 163.7 | -64.1 | -12 | 0 | 0 | 0 | 114.8 | Q33 T37 | Q33-N35 VanDerWaalsContact C-N 3.35Å; Q33-N35 PolarHBondContact O-N 3.24Å; N35-T37 PolarHBondContact O-N 3.42Å; N35-T37 PolarHBondContact O-OG1 3.43Å; N35-T37 VanDerWaalsContact O-OG1 3.06Å | ||
| 36 | S | 56.5 | Low | 66.4 | Low | 33 Ų | 33 | 109.4 Ų | 109.4 | 23% | 0.231 | 57% | 0.565 | C | S | . | * | trans | -75.5 | 57.6 | 170.2 | -164 | 0 | 0 | 0 | 0 | 110.6 | P34 K38 T72 D74 | P34-S36 PolarHBondContact O-N 3.48Å; S36-K38 PolarHBondContact O-N 3.17Å; S36-T72 VanDerWaalsContact O-CG2 3.28Å; S36-T72 WeakPolarHBondContact O-CG2 3.45Å; S36-D74 WeakPolarHBondContact CB-OD2 3.24Å; S36-D74 PolarHBondContact OG-OD2 2.94Å | ||
| 37 | T | 62.3 | Low | 67 | Low | 124 Ų | 124 | 104.7 Ų | 104.7 | 76% | 0.761 | 55% | 0.553 | S | S | * | * | trans | -66.2 | 2.3 | -167.4 | -26.7 | 0 | 0 | 0 | 0 | 114.6 | N35 | N35-T37 PolarHBondContact O-N 3.42Å; N35-T37 PolarHBondContact O-OG1 3.43Å; N35-T37 VanDerWaalsContact O-OG1 3.06Å | ||
| 38 | K | 73.2 | Confident | 67.3 | Low | 167 Ų | 167 | 100 Ų | 100 | 73% | 0.726 | 53% | 0.532 | S | S | * | . | trans | -99.7 | 91.9 | 179.6 | -68.8 | -174.8 | 178.5 | -179.2 | 0 | 110.3 | S36 Q40 | S36-K38 PolarHBondContact O-N 3.17Å; K38-Q40 PolarHBondContact O-N 3.09Å; K38-Q40 PolarHBondContact O-NE2 3.2Å | ||
| 39 | V | 80.4 | Confident | 67.8 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | trans | -59.4 | 129.8 | 168.8 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | V70 G71 | V39-V70 HydrophobicContact CG1-CG1 3.9Å; V39-G71 CarbonylContact C-O 3.56Å; V39-G71 VanDerWaalsContact CA-O 3.31Å; V39-G71 WeakPolarHBondContact CA-O 3.48Å | ||
| 40 | Q | 83.7 | Confident | 67.8 | Low | 80 Ų | 80 | 95.6 Ų | 95.6 | 37% | 0.374 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 167.7 | 177.7 | -80.1 | 154 | 89.4 | 0 | 0 | 110.3 | K38 V70 G71 I76 | K38-Q40 PolarHBondContact O-N 3.09Å; K38-Q40 PolarHBondContact O-NE2 3.2Å; Q40-V70 WeakPolarHBondContact O-CA 3.43Å; Q40-G71 PolarHBondContact N-O 3.25Å; Q40-G71 PolarHBondContact O-N 3.31Å; Q40-I76 HydrophobicContact CB-CD1 3.84Å |
| 41 | R | 84.9 | Confident | 67.8 | Low | 210 Ų | 210 | 93.6 Ų | 93.6 | 79% | 0.792 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 123.6 | 173.1 | -56.4 | -175.1 | -168 | 150.5 | 3.5 | 107.7 | V68 F69 V70 | R41-V68 HydrophobicContact CB-CG1 3.87Å; R41-F69 WeakPolarHBondContact CA-O 3.35Å; R41-V70 HydrophobicContact CG-CG1 4.42Å; R41-V70 HydrophobicContact CG-CG2 4.19Å |
| 42 | V | 84.6 | Confident | 68.1 | Low | 58 Ų | 58 | 88 Ų | 88 | 35% | 0.352 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.1 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | V44 V68 F69 I76 | V42-V44 HydrophobicContact CG1-CG2 4.08Å; V42-V68 WeakPolarHBondContact O-CA 3.33Å; V42-F69 PolarHBondContact N-O 3.06Å; V42-F69 PolarHBondContact O-N 2.88Å; V42-I76 HydrophobicContact CB-CG2 4.01Å; V42-I76 HydrophobicContact CG2-CD1 4.36Å; V42-I76 HydrophobicContact CG2-CG2 3.83Å |
| 43 | L | 83.5 | Confident | 68.1 | Low | 122 Ų | 122 | 91 Ų | 91 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.2 | 172.3 | 178.4 | 65.1 | 0 | 0 | 0 | 108.9 | V45 P66 V68 | L43-V45 HydrophobicContact CG-CG2 4.48Å; L43-P66 HydrophobicContact CD1-CB 4.26Å; L43-V68 HydrophobicContact CD1-CG2 4.1Å |
| 44 | V | 83.8 | Confident | 67.6 | Low | 23 Ų | 23 | 94.9 Ų | 94.9 | 14% | 0.139 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.9 | 177.2 | -176 | 0 | 0 | 0 | 0 | 107.9 | V42 F67 F69 L83 | V42-V44 HydrophobicContact CG1-CG2 4.08Å; V44-F67 HydrophobicContact CB-CD2 4.37Å; V44-F67 HydrophobicContact CB-CE1 4.37Å; V44-F67 HydrophobicContact CB-CE2 3.92Å; V44-F67 HydrophobicContact CB-CZ 3.93Å; V44-F67 HydrophobicContact CG1-CE1 4.12Å; V44-F67 HydrophobicContact CG1-CE2 4.08Å; V44-F67 HydrophobicContact CG1-CZ 3.64Å; V44-F67 PolarHBondContact N-O 3.22Å; V44-F67 PolarHBondContact O-N 3.39Å; V44-F69 HydrophobicContact CG2-CD2 3.68Å; V44-F69 HydrophobicContact CG2-CE2 3.99Å; V44-L83 HydrophobicContact CG1-CD2 3.48Å; V44-L83 VanDerWaalsContact CG1-CD2 3.48Å |
| 45 | V | 80.1 | Confident | 67.1 | Low | 47 Ų | 47 | 98.2 Ų | 98.2 | 29% | 0.285 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.6 | 119.8 | -174 | -171.1 | 0 | 0 | 0 | 0 | 109.2 | L43 W61 M64 P66 | L43-V45 HydrophobicContact CG-CG2 4.48Å; V45-W61 HydrophobicContact CB-CE3 4.33Å; V45-W61 HydrophobicContact CB-CZ3 3.85Å; V45-W61 HydrophobicContact CG1-CE3 3.72Å; V45-W61 HydrophobicContact CG1-CZ3 3.76Å; V45-W61 HydrophobicContact CG2-CE3 4.5Å; V45-W61 HydrophobicContact CG2-CZ3 3.96Å; V45-M64 HydrophobicContact CG1-CB 3.63Å; V45-M64 HydrophobicContact CG1-CG 4.3Å; V45-M64 HydrophobicContact CG1-SD 3.74Å; V45-P66 HydrophobicContact CG2-CB 4.43Å |
| 46 | S | 75.4 | Confident | 66.5 | Low | 22 Ų | 22 | 97.6 Ų | 97.6 | 15% | 0.154 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 138.8 | 179 | 59 | 0 | 0 | 0 | 0 | 111.5 | M64 V65 | S46-M64 VanDerWaalsContact O-CA 3.22Å; S46-M64 WeakPolarHBondContact O-CA 3.48Å; S46-M64 WeakPolarHBondContact O-CB 3.24Å; S46-M64 WeakPolarHBondContact O-CG 3.36Å; S46-V65 PolarHBondContact N-O 3.49Å; S46-V65 VanDerWaalsContact N-O 3.14Å; S46-V65 PolarHBondContact O-N 3.34Å; S46-V65 PolarHBondContact OG-N 2.92Å; S46-V65 PolarHBondContact OG-O 3.11Å |
| 47 | S | 67.4 | Low | 66.3 | Low | 65 Ų | 65 | 100.9 Ų | 100.9 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 127.6 | 162.6 | -164.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 48 | I | 61.6 | Low | 65.9 | Low | 73 Ų | 73 | 100.4 Ų | 100.4 | 37% | 0.374 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -76.3 | 153.4 | 156.7 | 57.6 | 163.7 | 0 | 0 | 0 | 109.9 | A50 G63 | I48-A50 VanDerWaalsContact C-N 3.28Å; I48-A50 HydrophobicContact CD1-CB 4.03Å; I48-A50 HydrophobicContact CG1-CB 4.29Å; I48-A50 PolarHBondContact O-N 3.5Å; I48-A50 VanDerWaalsContact O-N 3.17Å; I48-G63 WeakPolarHBondContact CD1-O 3.5Å; I48-G63 WeakPolarHBondContact CG1-O 3.43Å; I48-G63 WeakPolarHBondContact CG2-O 3.39Å |
| 49 | V | 55.8 | Low | 65.1 | Low | 102 Ų | 102 | 97.3 Ų | 97.3 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | trans | -82.5 | 81.2 | 162.7 | 173.7 | 0 | 0 | 0 | 0 | 107.6 | G51 | V49-G51 PolarHBondContact O-N 3.5Š| ||
| 50 | A | 52.3 | Low | 63.9 | Low | 65 Ų | 65 | 95.4 Ų | 95.4 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | trans | -80.5 | 105 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | I48 G52 | I48-A50 VanDerWaalsContact C-N 3.28Å; I48-A50 HydrophobicContact CD1-CB 4.03Å; I48-A50 HydrophobicContact CG1-CB 4.29Å; I48-A50 PolarHBondContact O-N 3.5Å; I48-A50 VanDerWaalsContact O-N 3.17Å; A50-G52 PolarHBondContact O-N 2.82Å | ||
| 51 | G | 52.4 | Low | 62.7 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 87% | 0.866 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -64.2 | 98 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V49 | V49-G51 PolarHBondContact O-N 3.5Š|
| 52 | G | 55.6 | Low | 61.5 | Low | 45 Ų | 45 | 96.5 Ų | 96.5 | 46% | 0.464 | 56% | 0.559 | S | S | . | * | S | Bend | trans | 169.4 | 141.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A50 Q54 | A50-G52 PolarHBondContact O-N 2.82Å; G52-Q54 VanDerWaalsContact C-N 3.3Å; G52-Q54 PolarHBondContact O-N 3.02Å |
| 53 | P | 54.6 | Low | 60.9 | Low | 144 Ų | 144 | 95.8 Ų | 95.8 | 94% | 0.935 | 56% | 0.564 | S | S | * | * | trans | -75.8 | 78.6 | 178.8 | 31.8 | -35.2 | 0 | 0 | 0 | 110.8 | K55 | P53-K55 PolarHBondContact O-N 3Š| ||
| 54 | Q | 50.2 | Low | 60.8 | Low | 161 Ų | 161 | 92.3 Ų | 92.3 | 75% | 0.752 | 55% | 0.545 | S | S | * | . | trans | -78.8 | 118.7 | 179.1 | -65.2 | -152.3 | -1.7 | 0 | 0 | 112 | G52 | G52-Q54 VanDerWaalsContact C-N 3.3Å; G52-Q54 PolarHBondContact O-N 3.02Å | ||
| 55 | K | 47.2 | Very low | 60.8 | Low | 188 Ų | 188 | 95.2 Ų | 95.2 | 82% | 0.817 | 56% | 0.562 | S | S | * | * | trans | -47.5 | 141 | 166.7 | -177.9 | -178.7 | -178.6 | -179.9 | 0 | 110.5 | P53 E57 | P53-K55 PolarHBondContact O-N 3Å; K55-E57 PolarHBondContact O-N 3.15Å | ||
| 56 | P | 52 | Low | 61.2 | Low | 132 Ų | 132 | 97 Ų | 97 | 86% | 0.857 | 58% | 0.575 | S | S | * | * | trans | -67.4 | 89.3 | -176.4 | 26.6 | -35.2 | 0 | 0 | 0 | 112.8 | ||||
| 57 | E | 50.6 | Low | 61.9 | Low | 102 Ų | 102 | 98.9 Ų | 98.9 | 48% | 0.477 | 58% | 0.581 | S | S | . | * | trans | -92.3 | 163.2 | 161.5 | -115.8 | -144.3 | 88.9 | 0 | 0 | 109.9 | K55 K59 A60 | K55-E57 PolarHBondContact O-N 3.15Å; E57-K59 HydrophobicContact CB-CB 4.36Å; E57-K59 PolarHBondContact O-N 3.28Å; E57-K59 IonicContact OE1-NZ 3.32Å; E57-K59 PolarHBondContact OE1-NZ 2.91Å; E57-K59 WeakPolarHBondContact OE2-CE 3.29Å; E57-K59 IonicContact OE2-NZ 2.68Å; E57-K59 PolarHBondContact OE2-NZ 2.83Å; E57-A60 PolarHBondContact O-N 3.1Å | ||
| 58 | P | 54.6 | Low | 63.2 | Low | 114 Ų | 114 | 99.3 Ų | 99.3 | 74% | 0.74 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -61.3 | -5.3 | 171.6 | 26.3 | -34.9 | 0 | 0 | 0 | 114.4 | A60 | P58-A60 PolarHBondContact O-N 3.42Š|
| 59 | K | 55.6 | Low | 64.8 | Low | 103 Ų | 103 | 97.9 Ų | 97.9 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -73.8 | 9.8 | 169.5 | -62.6 | 178.4 | -170.8 | 138 | 0 | 114.3 | E57 W61 Q62 | E57-K59 HydrophobicContact CB-CB 4.36Å; E57-K59 PolarHBondContact O-N 3.28Å; E57-K59 IonicContact OE1-NZ 3.32Å; E57-K59 PolarHBondContact OE1-NZ 2.91Å; E57-K59 WeakPolarHBondContact OE2-CE 3.29Å; E57-K59 IonicContact OE2-NZ 2.68Å; E57-K59 PolarHBondContact OE2-NZ 2.83Å; K59-W61 PolarHBondContact O-N 2.92Å; K59-Q62 HydrophobicContact CB-CB 4.16Å; K59-Q62 WeakPolarHBondContact O-CB 3.35Å; K59-Q62 PolarHBondContact O-N 3.06Å |
| 60 | A | 56.9 | Low | 66.6 | Low | 64 Ų | 64 | 97.6 Ų | 97.6 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -52 | -28.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E57 P58 M64 | E57-A60 PolarHBondContact O-N 3.1Å; P58-A60 PolarHBondContact O-N 3.42Å; A60-M64 VanDerWaalsContact O-CE 3.25Å; A60-M64 WeakPolarHBondContact O-CE 3.46Å |
| 61 | W | 57.5 | Low | 68.5 | Low | 173 Ų | 173 | 95.2 Ų | 95.2 | 66% | 0.655 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -82.1 | -4.3 | 175.6 | -48.4 | 110.9 | 0 | 0 | 0 | 114.9 | V45 K59 G63 M64 | V45-W61 HydrophobicContact CB-CE3 4.33Å; V45-W61 HydrophobicContact CB-CZ3 3.85Å; V45-W61 HydrophobicContact CG1-CE3 3.72Å; V45-W61 HydrophobicContact CG1-CZ3 3.76Å; V45-W61 HydrophobicContact CG2-CE3 4.5Å; V45-W61 HydrophobicContact CG2-CZ3 3.96Å; K59-W61 PolarHBondContact O-N 2.92Å; W61-G63 PolarHBondContact O-N 2.68Å; W61-M64 HydrophobicContact CE3-SD 3.57Å; W61-M64 VanDerWaalsContact CE3-SD 3.57Å; W61-M64 HydrophobicContact CZ3-SD 4.07Å; W61-M64 WeakPolarHBondContact O-CB 3.3Å; W61-M64 PolarHBondContact O-N 2.99Å |
| 62 | Q | 60.9 | Low | 70.5 | Confident | 139 Ų | 139 | 93.1 Ų | 93.1 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 102.3 | -170.3 | -170.5 | 87.9 | 44.8 | 0 | 0 | 111.1 | K59 | K59-Q62 HydrophobicContact CB-CB 4.16Å; K59-Q62 WeakPolarHBondContact O-CB 3.35Å; K59-Q62 PolarHBondContact O-N 3.06Å |
| 63 | G | 71.4 | Confident | 72.2 | Confident | 43 Ų | 43 | 97.3 Ų | 97.3 | 44% | 0.443 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -2.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I48 W61 | I48-G63 WeakPolarHBondContact CD1-O 3.5Å; I48-G63 WeakPolarHBondContact CG1-O 3.43Å; I48-G63 WeakPolarHBondContact CG2-O 3.39Å; W61-G63 PolarHBondContact O-N 2.68Å |
| 64 | M | 80.1 | Confident | 74 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 25% | 0.246 | 50% | 0.498 | C | S | . | . | trans | -61.1 | 139.6 | 166.6 | -71.5 | -162.6 | 166 | 0 | 0 | 110.5 | V45 S46 A60 W61 P66 | V45-M64 HydrophobicContact CG1-CB 3.63Å; V45-M64 HydrophobicContact CG1-CG 4.3Å; V45-M64 HydrophobicContact CG1-SD 3.74Å; S46-M64 VanDerWaalsContact O-CA 3.22Å; S46-M64 WeakPolarHBondContact O-CA 3.48Å; S46-M64 WeakPolarHBondContact O-CB 3.24Å; S46-M64 WeakPolarHBondContact O-CG 3.36Å; A60-M64 VanDerWaalsContact O-CE 3.25Å; A60-M64 WeakPolarHBondContact O-CE 3.46Å; W61-M64 HydrophobicContact CE3-SD 3.57Å; W61-M64 VanDerWaalsContact CE3-SD 3.57Å; W61-M64 HydrophobicContact CZ3-SD 4.07Å; W61-M64 WeakPolarHBondContact O-CB 3.3Å; W61-M64 PolarHBondContact O-N 2.99Å; M64-P66 WeakPolarHBondContact O-CD 3.41Å | ||
| 65 | V | 85 | Confident | 76.1 | Confident | 84 Ų | 84 | 87.9 Ų | 87.9 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111.3 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | S46 | S46-V65 PolarHBondContact N-O 3.49Å; S46-V65 VanDerWaalsContact N-O 3.14Å; S46-V65 PolarHBondContact O-N 3.34Å; S46-V65 PolarHBondContact OG-N 2.92Å; S46-V65 PolarHBondContact OG-O 3.11Å |
| 66 | P | 88.4 | Confident | 78.4 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139.9 | 174.9 | 32.1 | -34.1 | 0 | 0 | 0 | 110.6 | L43 V45 M64 | L43-P66 HydrophobicContact CD1-CB 4.26Å; V45-P66 HydrophobicContact CG2-CB 4.43Å; M64-P66 WeakPolarHBondContact O-CD 3.41Å |
| 67 | F | 90.8 | Very high | 80.4 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 27% | 0.268 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 172.4 | 173.1 | 63.9 | -85.6 | 0 | 0 | 0 | 110.7 | V44 F69 L83 | V44-F67 HydrophobicContact CB-CD2 4.37Å; V44-F67 HydrophobicContact CB-CE1 4.37Å; V44-F67 HydrophobicContact CB-CE2 3.92Å; V44-F67 HydrophobicContact CB-CZ 3.93Å; V44-F67 HydrophobicContact CG1-CE1 4.12Å; V44-F67 HydrophobicContact CG1-CE2 4.08Å; V44-F67 HydrophobicContact CG1-CZ 3.64Å; V44-F67 PolarHBondContact N-O 3.22Å; V44-F67 PolarHBondContact O-N 3.39Å; F67-F69 HydrophobicContact CE2-CD1 4.33Å; F67-F69 AromaticContact CE2-CE1 3.86Å; F67-F69 HydrophobicContact CE2-CE1 3.86Å; F67-F69 HydrophobicContact CE2-CE2 4.17Å; F67-F69 AromaticContact CE2-CZ 3.78Å; F67-F69 HydrophobicContact CE2-CZ 3.78Å; F67-F69 HydrophobicContact CZ-CZ 4.46Å; F67-L83 HydrophobicContact CE2-CD2 4.4Å; F67-L83 HydrophobicContact CZ-CD1 3.89Å; F67-L83 HydrophobicContact CZ-CD2 3.65Å; F67-L83 HydrophobicContact CZ-CG 4.43Å |
| 68 | V | 93.4 | Very high | 82.5 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 44% | 0.442 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.1 | -174.2 | 179 | 0 | 0 | 0 | 0 | 109.8 | R41 V42 L43 V70 | R41-V68 HydrophobicContact CB-CG1 3.87Å; V42-V68 WeakPolarHBondContact O-CA 3.33Å; L43-V68 HydrophobicContact CD1-CG2 4.1Å; V68-V70 HydrophobicContact CG1-CG2 3.88Å |
| 69 | F | 94.6 | Very high | 84.4 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 19% | 0.193 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.8 | 164.4 | -70 | -48.5 | 0 | 0 | 0 | 109.5 | R41 V42 V44 F67 I76 A79 L83 | R41-F69 WeakPolarHBondContact CA-O 3.35Å; V42-F69 PolarHBondContact N-O 3.06Å; V42-F69 PolarHBondContact O-N 2.88Å; V44-F69 HydrophobicContact CG2-CD2 3.68Å; V44-F69 HydrophobicContact CG2-CE2 3.99Å; F67-F69 HydrophobicContact CE2-CD1 4.33Å; F67-F69 AromaticContact CE2-CE1 3.86Å; F67-F69 HydrophobicContact CE2-CE1 3.86Å; F67-F69 HydrophobicContact CE2-CE2 4.17Å; F67-F69 AromaticContact CE2-CZ 3.78Å; F67-F69 HydrophobicContact CE2-CZ 3.78Å; F67-F69 HydrophobicContact CZ-CZ 4.46Å; F69-I76 HydrophobicContact CB-CG1 4.09Å; F69-I76 HydrophobicContact CB-CG2 4.05Å; F69-I76 HydrophobicContact CD2-CG2 4.42Å; F69-A79 HydrophobicContact CD1-CB 4Å; F69-A79 HydrophobicContact CD2-CB 4.23Å; F69-A79 HydrophobicContact CE1-CB 3.72Å; F69-A79 HydrophobicContact CE2-CB 3.97Å; F69-A79 HydrophobicContact CG-CB 4.26Å; F69-A79 HydrophobicContact CZ-CB 3.71Å; F69-L83 HydrophobicContact CE2-CD2 4.22Å; F69-L83 HydrophobicContact CZ-CB 4.26Å; F69-L83 HydrophobicContact CZ-CD2 4.25Å |
| 70 | V | 94 | Very high | 86.2 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 58% | 0.576 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.1 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | V39 Q40 R41 V68 | V39-V70 HydrophobicContact CG1-CG1 3.9Å; Q40-V70 WeakPolarHBondContact O-CA 3.43Å; R41-V70 HydrophobicContact CG-CG1 4.42Å; R41-V70 HydrophobicContact CG-CG2 4.19Å; V68-V70 HydrophobicContact CG1-CG2 3.88Å |
| 71 | G | 93.3 | Very high | 88.1 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | -168.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V39 Q40 | V39-G71 CarbonylContact C-O 3.56Å; V39-G71 VanDerWaalsContact CA-O 3.31Å; V39-G71 WeakPolarHBondContact CA-O 3.48Å; Q40-G71 PolarHBondContact N-O 3.25Å; Q40-G71 PolarHBondContact O-N 3.31Å |
| 72 | T | 94.6 | Very high | 89.9 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 25% | 0.245 | 39% | 0.389 | C | S | . | . | trans | -67.9 | 159.4 | 168.8 | 71.2 | 0 | 0 | 0 | 0 | 110.5 | S36 D74 S75 I76 | S36-T72 VanDerWaalsContact O-CG2 3.28Å; S36-T72 WeakPolarHBondContact O-CG2 3.45Å; T72-D74 PolarHBondContact O-N 3.04Å; T72-D74 VanDerWaalsContact O-N 3.11Å; T72-S75 PolarHBondContact N-OG 3.11Å; T72-S75 PolarHBondContact O-N 3.12Å; T72-S75 PolarHBondContact O-OG 3.46Å; T72-S75 WeakPolarHBondContact OG1-CB 3.44Å; T72-S75 PolarHBondContact OG1-N 3.34Å; T72-S75 VanDerWaalsContact OG1-N 3.12Å; T72-S75 PolarHBondContact OG1-OG 2.93Å; T72-I76 WeakPolarHBondContact O-CG1 3.37Å; T72-I76 PolarHBondContact O-N 3.04Å | ||
| 73 | K | 90.1 | Very high | 91.5 | Very high | 133 Ų | 133 | 61.9 Ų | 61.9 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -49.6 | -42.8 | 177.8 | -167.2 | -168.8 | 174.8 | -167.4 | 0 | 111.8 | I76 A77 | K73-I76 PolarHBondContact O-N 3.49Å; K73-A77 PolarHBondContact O-N 2.87Å |
| 74 | D | 92.4 | Very high | 92.5 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 32% | 0.316 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -80.4 | -36.6 | -170.3 | -42.4 | -77.9 | 0 | 0 | 0 | 111 | S36 T72 I76 A77 N78 | S36-D74 WeakPolarHBondContact CB-OD2 3.24Å; S36-D74 PolarHBondContact OG-OD2 2.94Å; T72-D74 PolarHBondContact O-N 3.04Å; T72-D74 VanDerWaalsContact O-N 3.11Å; D74-I76 VanDerWaalsContact C-N 3.31Å; D74-I76 PolarHBondContact O-N 3.47Å; D74-A77 PolarHBondContact O-N 3.49Å; D74-N78 WeakPolarHBondContact O-CB 3.3Å; D74-N78 PolarHBondContact O-N 3.01Å; D74-N78 PolarHBondContact O-OD1 2.98Å |
| 75 | S | 94.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 69.1 Ų | 69.1 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 169.4 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | T72 A79 | T72-S75 PolarHBondContact N-OG 3.11Å; T72-S75 PolarHBondContact O-N 3.12Å; T72-S75 PolarHBondContact O-OG 3.46Å; T72-S75 WeakPolarHBondContact OG1-CB 3.44Å; T72-S75 PolarHBondContact OG1-N 3.34Å; T72-S75 VanDerWaalsContact OG1-N 3.12Å; T72-S75 PolarHBondContact OG1-OG 2.93Å; S75-A79 VanDerWaalsContact O-CB 3.32Å; S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 3.17Å |
| 76 | I | 94.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.067 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.5 | -45.2 | 177.3 | -65.9 | 167.6 | 0 | 0 | 0 | 110 | Q40 V42 F69 T72 K73 D74 N78 A79 T80 | Q40-I76 HydrophobicContact CB-CD1 3.84Å; V42-I76 HydrophobicContact CB-CG2 4.01Å; V42-I76 HydrophobicContact CG2-CD1 4.36Å; V42-I76 HydrophobicContact CG2-CG2 3.83Å; F69-I76 HydrophobicContact CB-CG1 4.09Å; F69-I76 HydrophobicContact CB-CG2 4.05Å; F69-I76 HydrophobicContact CD2-CG2 4.42Å; T72-I76 WeakPolarHBondContact O-CG1 3.37Å; T72-I76 PolarHBondContact O-N 3.04Å; K73-I76 PolarHBondContact O-N 3.49Å; D74-I76 VanDerWaalsContact C-N 3.31Å; D74-I76 PolarHBondContact O-N 3.47Å; I76-N78 VanDerWaalsContact C-N 3.35Å; I76-N78 PolarHBondContact O-N 3.01Å; I76-A79 PolarHBondContact O-N 3.26Å; I76-T80 PolarHBondContact O-N 2.95Å; I76-T80 PolarHBondContact O-OG1 3.18Å |
| 77 | A | 94.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 68 Ų | 68 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | K73 D74 A79 T80 V81 | K73-A77 PolarHBondContact O-N 2.87Å; D74-A77 PolarHBondContact O-N 3.49Å; A77-A79 PolarHBondContact O-N 3.44Å; A77-T80 PolarHBondContact O-N 2.92Å; A77-V81 PolarHBondContact O-N 2.99Å |
| 78 | N | 95.4 | Very high | 94 | Very high | 94 Ų | 94 | 69.3 Ų | 69.3 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.6 | -68 | -5.8 | 0 | 0 | 0 | 111.9 | D74 I76 V81 L82 | D74-N78 WeakPolarHBondContact O-CB 3.3Å; D74-N78 PolarHBondContact O-N 3.01Å; D74-N78 PolarHBondContact O-OD1 2.98Å; I76-N78 VanDerWaalsContact C-N 3.35Å; I76-N78 PolarHBondContact O-N 3.01Å; N78-V81 PolarHBondContact O-N 3.27Å; N78-L82 WeakPolarHBondContact O-CG 3.46Å; N78-L82 PolarHBondContact O-N 3.41Å; N78-L82 VanDerWaalsContact O-N 3.17Å |
| 79 | A | 95.1 | Very high | 94.2 | Very high | 27 Ų | 27 | 72 Ų | 72 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F69 S75 I76 A77 L82 L83 | F69-A79 HydrophobicContact CD1-CB 4Å; F69-A79 HydrophobicContact CD2-CB 4.23Å; F69-A79 HydrophobicContact CE1-CB 3.72Å; F69-A79 HydrophobicContact CE2-CB 3.97Å; F69-A79 HydrophobicContact CG-CB 4.26Å; F69-A79 HydrophobicContact CZ-CB 3.71Å; S75-A79 VanDerWaalsContact O-CB 3.32Å; S75-A79 WeakPolarHBondContact O-CB 3.35Å; S75-A79 PolarHBondContact O-N 3.17Å; I76-A79 PolarHBondContact O-N 3.26Å; A77-A79 PolarHBondContact O-N 3.44Å; A79-L82 PolarHBondContact O-N 2.95Å; A79-L83 WeakPolarHBondContact O-CB 3.12Å; A79-L83 PolarHBondContact O-N 3.35Å |
| 80 | T | 93.5 | Very high | 94.2 | Very high | 43 Ų | 43 | 74.5 Ų | 74.5 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | I76 A77 L82 L83 D84 | I76-T80 PolarHBondContact O-N 2.95Å; I76-T80 PolarHBondContact O-OG1 3.18Å; A77-T80 PolarHBondContact O-N 2.92Å; T80-L82 VanDerWaalsContact C-N 3.34Å; T80-L82 PolarHBondContact O-N 3.06Å; T80-L83 WeakPolarHBondContact O-CB 3.07Å; T80-L83 PolarHBondContact O-N 3.41Å; T80-D84 PolarHBondContact O-N 2.99Å |
| 81 | V | 95.8 | Very high | 94 | Very high | 102 Ų | 102 | 75.5 Ų | 75.5 | 62% | 0.618 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | A77 N78 Y85 | A77-V81 PolarHBondContact O-N 2.99Å; N78-V81 PolarHBondContact O-N 3.27Å; V81-Y85 WeakPolarHBondContact O-CB 3.08Å; V81-Y85 PolarHBondContact O-N 3.14Å; V81-Y85 VanDerWaalsContact O-N 3.11Å |
| 82 | L | 96.5 | Very high | 94.1 | Very high | 105 Ų | 105 | 79.2 Ų | 79.2 | 55% | 0.55 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 175.7 | -69.1 | 171.6 | 0 | 0 | 0 | 112.1 | N78 A79 T80 H86 | N78-L82 WeakPolarHBondContact O-CG 3.46Å; N78-L82 PolarHBondContact O-N 3.41Å; N78-L82 VanDerWaalsContact O-N 3.17Å; A79-L82 PolarHBondContact O-N 2.95Å; T80-L82 VanDerWaalsContact C-N 3.34Å; T80-L82 PolarHBondContact O-N 3.06Å; L82-H86 PolarHBondContact O-CD2 3.49Å; L82-H86 PolarHBondContact O-N 3.4Å; L82-H86 VanDerWaalsContact O-N 3.07Å |
| 83 | L | 94.1 | Very high | 94.2 | Very high | 34 Ų | 34 | 78.8 Ų | 78.8 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.8 | -50 | 175.1 | 177 | 76.8 | 0 | 0 | 0 | 111.6 | V44 F67 F69 A79 T80 Y85 H86 L87 | V44-L83 HydrophobicContact CG1-CD2 3.48Å; V44-L83 VanDerWaalsContact CG1-CD2 3.48Å; F67-L83 HydrophobicContact CE2-CD2 4.4Å; F67-L83 HydrophobicContact CZ-CD1 3.89Å; F67-L83 HydrophobicContact CZ-CD2 3.65Å; F67-L83 HydrophobicContact CZ-CG 4.43Å; F69-L83 HydrophobicContact CE2-CD2 4.22Å; F69-L83 HydrophobicContact CZ-CB 4.26Å; F69-L83 HydrophobicContact CZ-CD2 4.25Å; A79-L83 WeakPolarHBondContact O-CB 3.12Å; A79-L83 PolarHBondContact O-N 3.35Å; T80-L83 WeakPolarHBondContact O-CB 3.07Å; T80-L83 PolarHBondContact O-N 3.41Å; L83-Y85 VanDerWaalsContact C-N 3.28Å; L83-Y85 PolarHBondContact O-N 2.88Å; L83-H86 PolarHBondContact O-N 2.88Å; L83-H86 VanDerWaalsContact O-N 3.16Å; L83-L87 HydrophobicContact CD1-CD1 4.03Å; L83-L87 HydrophobicContact CD1-CG 4.14Å; L83-L87 HydrophobicContact CD2-CD1 4.18Å; L83-L87 HydrophobicContact CG-CD1 3.75Å; L83-L87 HydrophobicContact CG-CG 4.18Å; L83-L87 WeakPolarHBondContact O-CB 3.22Å; L83-L87 WeakPolarHBondContact O-CG 3.19Å; L83-L87 PolarHBondContact O-N 3.46Å |
| 84 | D | 92.6 | Very high | 94.3 | Very high | 92 Ų | 92 | 75 Ų | 75 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | -178.5 | -73.5 | -29.7 | 0 | 0 | 0 | 111.2 | T80 L87 N88 | T80-D84 PolarHBondContact O-N 2.99Å; D84-L87 PolarHBondContact O-N 3.38Å; D84-N88 WeakPolarHBondContact O-CB 3.34Å; D84-N88 PolarHBondContact O-N 3.16Å |
| 85 | Y | 96.8 | Very high | 94.5 | Very high | 153 Ų | 153 | 78.5 Ų | 78.5 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.7 | -50.8 | 171.7 | 172.6 | -102.5 | 0 | 0 | 0 | 112.4 | V81 L83 N88 Y89 | V81-Y85 WeakPolarHBondContact O-CB 3.08Å; V81-Y85 PolarHBondContact O-N 3.14Å; V81-Y85 VanDerWaalsContact O-N 3.11Å; L83-Y85 VanDerWaalsContact C-N 3.28Å; L83-Y85 PolarHBondContact O-N 2.88Å; Y85-N88 PolarHBondContact O-N 3.04Å; Y85-Y89 PolarHBondContact O-N 3.26Å |
| 86 | H | 94.9 | Very high | 94.6 | Very high | 106 Ų | 106 | 80.5 Ų | 80.5 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 179.4 | -69.9 | -51.7 | 0 | 0 | 0 | 112.9 | L82 L83 N88 Y89 L90 | L82-H86 PolarHBondContact O-CD2 3.49Å; L82-H86 PolarHBondContact O-N 3.4Å; L82-H86 VanDerWaalsContact O-N 3.07Å; L83-H86 PolarHBondContact O-N 2.88Å; L83-H86 VanDerWaalsContact O-N 3.16Å; H86-N88 VanDerWaalsContact C-N 3.32Å; H86-Y89 PolarHBondContact O-N 2.83Å; H86-L90 WeakPolarHBondContact O-CG 3.44Å; H86-L90 PolarHBondContact O-N 2.98Å |
| 87 | L | 91.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 87 Ų | 87 | 20% | 0.204 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.3 | -29.8 | 174.7 | -69.3 | 177.3 | 0 | 0 | 0 | 112.4 | L83 D84 K91 | L83-L87 HydrophobicContact CD1-CD1 4.03Å; L83-L87 HydrophobicContact CD1-CG 4.14Å; L83-L87 HydrophobicContact CD2-CD1 4.18Å; L83-L87 HydrophobicContact CG-CD1 3.75Å; L83-L87 HydrophobicContact CG-CG 4.18Å; L83-L87 WeakPolarHBondContact O-CB 3.22Å; L83-L87 WeakPolarHBondContact O-CG 3.19Å; L83-L87 PolarHBondContact O-N 3.46Å; D84-L87 PolarHBondContact O-N 3.38Å; L87-K91 WeakPolarHBondContact O-CD 3.3Å; L87-K91 WeakPolarHBondContact O-CE 3.45Å; L87-K91 VanDerWaalsContact O-CG 3.3Å; L87-K91 WeakPolarHBondContact O-CG 3.36Å |
| 88 | N | 93.1 | Very high | 94.7 | Very high | 88 Ų | 88 | 90.2 Ų | 90.2 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.3 | -49.6 | 171.9 | -168 | 80.5 | 0 | 0 | 0 | 111.4 | D84 Y85 H86 L90 K91 E92 | D84-N88 WeakPolarHBondContact O-CB 3.34Å; D84-N88 PolarHBondContact O-N 3.16Å; Y85-N88 PolarHBondContact O-N 3.04Å; H86-N88 VanDerWaalsContact C-N 3.32Å; N88-L90 VanDerWaalsContact C-N 3.28Å; N88-L90 PolarHBondContact O-N 2.86Å; N88-K91 WeakPolarHBondContact O-CB 3.48Å; N88-K91 PolarHBondContact O-N 2.68Å; N88-E92 PolarHBondContact O-N 2.84Å |
| 89 | Y | 96.4 | Very high | 94.8 | Very high | 129 Ų | 129 | 90.7 Ų | 90.7 | 51% | 0.506 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.4 | -41.2 | -180 | 176.2 | -106.9 | 0 | 0 | 0 | 112.8 | Y85 H86 K91 E92 V93 | Y85-Y89 PolarHBondContact O-N 3.26Å; H86-Y89 PolarHBondContact O-N 2.83Å; Y89-K91 PolarHBondContact O-N 3.32Å; Y89-E92 PolarHBondContact O-N 3.03Å; Y89-V93 HydrophobicContact CD1-CG2 4.43Å; Y89-V93 HydrophobicContact CD2-CG2 4.21Å; Y89-V93 HydrophobicContact CE1-CG2 3.95Å; Y89-V93 HydrophobicContact CE2-CG2 3.71Å; Y89-V93 WeakPolarHBondContact O-CG2 3.48Å; Y89-V93 PolarHBondContact O-N 3.07Å |
| 90 | L | 93.9 | Very high | 94.8 | Very high | 97 Ų | 97 | 97.2 Ų | 97.2 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -69.1 | 173.1 | 0 | 0 | 0 | 112.6 | H86 N88 V93 D94 | H86-L90 WeakPolarHBondContact O-CG 3.44Å; H86-L90 PolarHBondContact O-N 2.98Å; N88-L90 VanDerWaalsContact C-N 3.28Å; N88-L90 PolarHBondContact O-N 2.86Å; L90-V93 PolarHBondContact O-N 2.93Å; L90-D94 PolarHBondContact O-N 2.93Å |
| 91 | K | 90.9 | Very high | 95 | Very high | 116 Ų | 116 | 100.6 Ų | 100.6 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 176.4 | -65.3 | 164.4 | -171.4 | 169.8 | 0 | 112 | L87 N88 Y89 D94 Q95 | L87-K91 WeakPolarHBondContact O-CD 3.3Å; L87-K91 WeakPolarHBondContact O-CE 3.45Å; L87-K91 VanDerWaalsContact O-CG 3.3Å; L87-K91 WeakPolarHBondContact O-CG 3.36Å; N88-K91 WeakPolarHBondContact O-CB 3.48Å; N88-K91 PolarHBondContact O-N 2.68Å; Y89-K91 PolarHBondContact O-N 3.32Å; K91-D94 PolarHBondContact O-N 2.8Å; K91-Q95 WeakPolarHBondContact O-CB 3.34Å; K91-Q95 PolarHBondContact O-N 2.87Å |
| 92 | E | 94.7 | Very high | 95 | Very high | 94 Ų | 94 | 101.4 Ų | 101.4 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.5 | -170.7 | -179.9 | 157.1 | 0 | 0 | 111 | N88 Y89 D94 Q95 L96 | N88-E92 PolarHBondContact O-N 2.84Å; Y89-E92 PolarHBondContact O-N 3.03Å; E92-D94 PolarHBondContact O-N 3.4Å; E92-Q95 PolarHBondContact O-N 2.9Å; E92-L96 HydrophobicContact CG-CD1 4.37Å; E92-L96 VanDerWaalsContact O-CG 3.3Å; E92-L96 WeakPolarHBondContact O-CG 3.47Å; E92-L96 PolarHBondContact O-N 2.98Å |
| 93 | V | 96.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 100 Ų | 100 | 19% | 0.188 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 112 | Y89 L90 L96 R97 | Y89-V93 HydrophobicContact CD1-CG2 4.43Å; Y89-V93 HydrophobicContact CD2-CG2 4.21Å; Y89-V93 HydrophobicContact CE1-CG2 3.95Å; Y89-V93 HydrophobicContact CE2-CG2 3.71Å; Y89-V93 WeakPolarHBondContact O-CG2 3.48Å; Y89-V93 PolarHBondContact O-N 3.07Å; L90-V93 PolarHBondContact O-N 2.93Å; V93-L96 PolarHBondContact O-N 3.18Å; V93-R97 VanDerWaalsContact CG1-CZ 3.47Å; V93-R97 WeakPolarHBondContact O-CD 3.25Å; V93-R97 VanDerWaalsContact O-CG 3.24Å; V93-R97 WeakPolarHBondContact O-CG 3.45Å; V93-R97 PolarHBondContact O-N 2.94Å |
| 94 | D | 92.9 | Very high | 95 | Very high | 54 Ų | 54 | 101.6 Ų | 101.6 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.3 | -31.1 | 176.6 | -75.9 | -22.4 | 0 | 0 | 0 | 113.2 | L90 K91 E92 R97 L98 | L90-D94 PolarHBondContact O-N 2.93Å; K91-D94 PolarHBondContact O-N 2.8Å; E92-D94 PolarHBondContact O-N 3.4Å; D94-R97 WeakPolarHBondContact OD1-CD 3.32Å; D94-R97 IonicContact OD1-CZ 3.68Å; D94-R97 IonicContact OD1-NE 3.95Å; D94-R97 IonicContact OD1-NH1 2.68Å; D94-R97 PolarHBondContact OD1-NH1 3.5Å; D94-L98 PolarHBondContact O-N 2.96Å; D94-L98 VanDerWaalsContact O-N 3.11Å |
| 95 | Q | 95.6 | Very high | 95.1 | Very high | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.2 | -49.5 | 169.2 | 176.5 | 174.5 | 86.8 | 0 | 0 | 111.3 | K91 E92 R97 L98 E99 | K91-Q95 WeakPolarHBondContact O-CB 3.34Å; K91-Q95 PolarHBondContact O-N 2.87Å; E92-Q95 PolarHBondContact O-N 2.9Å; Q95-R97 VanDerWaalsContact C-N 3.27Å; Q95-R97 PolarHBondContact O-N 3.39Å; Q95-L98 PolarHBondContact O-N 3.2Å; Q95-E99 PolarHBondContact O-N 2.89Å |
| 96 | L | 96.9 | Very high | 95 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 177.6 | -70 | 166.7 | 0 | 0 | 0 | 112.3 | E92 V93 R100 | E92-L96 HydrophobicContact CG-CD1 4.37Å; E92-L96 VanDerWaalsContact O-CG 3.3Å; E92-L96 WeakPolarHBondContact O-CG 3.47Å; E92-L96 PolarHBondContact O-N 2.98Å; V93-L96 PolarHBondContact O-N 3.18Å; L96-R100 VanDerWaalsContact O-CB 3.3Å; L96-R100 WeakPolarHBondContact O-CB 3.34Å; L96-R100 PolarHBondContact O-N 3Å |
| 97 | R | 96 | Very high | 94.9 | Very high | 148 Ų | 148 | 97.7 Ų | 97.7 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 171.4 | -76.3 | 164.2 | 175.7 | 159.8 | 1.5 | 111.9 | V93 D94 Q95 L101 | V93-R97 VanDerWaalsContact CG1-CZ 3.47Å; V93-R97 WeakPolarHBondContact O-CD 3.25Å; V93-R97 VanDerWaalsContact O-CG 3.24Å; V93-R97 WeakPolarHBondContact O-CG 3.45Å; V93-R97 PolarHBondContact O-N 2.94Å; D94-R97 WeakPolarHBondContact OD1-CD 3.32Å; D94-R97 IonicContact OD1-CZ 3.68Å; D94-R97 IonicContact OD1-NE 3.95Å; D94-R97 IonicContact OD1-NH1 2.68Å; D94-R97 PolarHBondContact OD1-NH1 3.5Å; Q95-R97 VanDerWaalsContact C-N 3.27Å; Q95-R97 PolarHBondContact O-N 3.39Å; R97-L101 WeakPolarHBondContact O-CG 3.44Å; R97-L101 PolarHBondContact O-N 3.11Å; R97-L101 VanDerWaalsContact O-N 3.11Å |
| 98 | L | 95.7 | Very high | 94.9 | Very high | 120 Ų | 120 | 103 Ų | 103 | 63% | 0.628 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.2 | -43.3 | 179.9 | -176.8 | 61.3 | 0 | 0 | 0 | 112.1 | D94 Q95 R100 L101 Q102 | D94-L98 PolarHBondContact O-N 2.96Å; D94-L98 VanDerWaalsContact O-N 3.11Å; Q95-L98 PolarHBondContact O-N 3.2Å; L98-R100 VanDerWaalsContact C-N 3.35Å; L98-R100 PolarHBondContact O-N 3.41Å; L98-L101 PolarHBondContact O-N 3.2Å; L98-Q102 PolarHBondContact O-N 3.24Å |
| 99 | E | 96.9 | Very high | 94.7 | Very high | 104 Ų | 104 | 104.3 Ų | 104.3 | 49% | 0.486 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 173.8 | -179.5 | 179.6 | -163.5 | 0 | 0 | 111 | Q95 L101 Q102 I103 | Q95-E99 PolarHBondContact O-N 2.89Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 2.79Å; E99-Q102 WeakPolarHBondContact O-CB 3.41Å; E99-Q102 PolarHBondContact O-N 2.82Å; E99-Q102 VanDerWaalsContact O-N 3.12Å; E99-I103 HydrophobicContact CG-CD1 4.06Å; E99-I103 WeakPolarHBondContact O-CG1 3.43Å; E99-I103 PolarHBondContact O-N 3.27Å |
| 100 | R | 96.4 | Very high | 94.3 | Very high | 164 Ų | 164 | 104 Ų | 104 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.9 | -46.5 | 175.1 | -175.8 | -165 | 153.2 | 168.3 | 1.1 | 111.9 | L96 L98 Q102 I103 D104 | L96-R100 VanDerWaalsContact O-CB 3.3Å; L96-R100 WeakPolarHBondContact O-CB 3.34Å; L96-R100 PolarHBondContact O-N 3Å; L98-R100 VanDerWaalsContact C-N 3.35Å; L98-R100 PolarHBondContact O-N 3.41Å; R100-Q102 PolarHBondContact O-N 2.74Å; R100-I103 PolarHBondContact O-N 3.48Å; R100-I103 VanDerWaalsContact O-N 3.1Å; R100-D104 IonicContact CZ-OD2 3.57Å; R100-D104 IonicContact NE-OD2 2.91Å; R100-D104 PolarHBondContact NE-OD2 3.17Å; R100-D104 IonicContact NH2-OD2 3.31Å; R100-D104 PolarHBondContact NH2-OD2 3.41Å; R100-D104 WeakPolarHBondContact O-CB 3.44Å; R100-D104 PolarHBondContact O-N 2.98Å |
| 101 | L | 96 | Very high | 93.4 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.4 | -34.8 | 178.7 | -73.2 | 169.8 | 0 | 0 | 0 | 112.1 | R97 L98 E99 E105 | R97-L101 WeakPolarHBondContact O-CG 3.44Å; R97-L101 PolarHBondContact O-N 3.11Å; R97-L101 VanDerWaalsContact O-N 3.11Å; L98-L101 PolarHBondContact O-N 3.2Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 2.79Å; L101-E105 VanDerWaalsContact O-CB 3.29Å; L101-E105 WeakPolarHBondContact O-CB 3.32Å; L101-E105 PolarHBondContact O-N 2.86Å |
| 102 | Q | 95.8 | Very high | 92.1 | Very high | 119 Ų | 119 | 99.4 Ų | 99.4 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.6 | -37.5 | 173.2 | -178.1 | 177 | -24.9 | 0 | 0 | 112.4 | L98 E99 R100 Q106 | L98-Q102 PolarHBondContact O-N 3.24Å; E99-Q102 WeakPolarHBondContact O-CB 3.41Å; E99-Q102 PolarHBondContact O-N 2.82Å; E99-Q102 VanDerWaalsContact O-N 3.12Å; R100-Q102 PolarHBondContact O-N 2.74Å; Q102-Q106 WeakPolarHBondContact O-CG 3.36Å; Q102-Q106 PolarHBondContact O-N 3.43Å |
| 103 | I | 95.6 | Very high | 90.4 | Very high | 76 Ų | 76 | 100 Ų | 100 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -47.5 | 174.9 | -65.2 | 164.8 | 0 | 0 | 0 | 110.9 | E99 R100 E105 Q106 L107 | E99-I103 HydrophobicContact CG-CD1 4.06Å; E99-I103 WeakPolarHBondContact O-CG1 3.43Å; E99-I103 PolarHBondContact O-N 3.27Å; R100-I103 PolarHBondContact O-N 3.48Å; R100-I103 VanDerWaalsContact O-N 3.1Å; I103-E105 PolarHBondContact O-N 3.3Å; I103-Q106 PolarHBondContact O-N 3.46Å; I103-Q106 VanDerWaalsContact O-N 3.15Å; I103-L107 HydrophobicContact CG2-CD1 4Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 WeakPolarHBondContact O-CG 3.34Å; I103-L107 PolarHBondContact O-N 2.79Å |
| 104 | D | 95.6 | Very high | 88.6 | Confident | 66 Ų | 66 | 103.1 Ų | 103.1 | 35% | 0.353 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.6 | -35.1 | 176.8 | -75.4 | -25.4 | 0 | 0 | 0 | 111 | R100 R108 | R100-D104 IonicContact CZ-OD2 3.57Å; R100-D104 IonicContact NE-OD2 2.91Å; R100-D104 PolarHBondContact NE-OD2 3.17Å; R100-D104 IonicContact NH2-OD2 3.31Å; R100-D104 PolarHBondContact NH2-OD2 3.41Å; R100-D104 WeakPolarHBondContact O-CB 3.44Å; R100-D104 PolarHBondContact O-N 2.98Å; D104-R108 PolarHBondContact O-N 3.11Å |
| 105 | E | 95.1 | Very high | 87.1 | Confident | 66 Ų | 66 | 110.2 Ų | 110.2 | 31% | 0.308 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.9 | -49.1 | 171.9 | 178.1 | 61.9 | -134 | 0 | 0 | 112.9 | L101 I103 L107 R108 Q109 | L101-E105 VanDerWaalsContact O-CB 3.29Å; L101-E105 WeakPolarHBondContact O-CB 3.32Å; L101-E105 PolarHBondContact O-N 2.86Å; I103-E105 PolarHBondContact O-N 3.3Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 2.9Å; E105-R108 WeakPolarHBondContact O-CB 3.43Å; E105-R108 PolarHBondContact O-N 3.24Å; E105-R108 VanDerWaalsContact O-N 3.14Å; E105-R108 IonicContact OE1-CZ 3.49Å; E105-R108 IonicContact OE1-NH1 3.79Å; E105-R108 IonicContact OE1-NH2 2.82Å; E105-R108 PolarHBondContact OE1-NH2 3.15Å; E105-R108 IonicContact OE2-CZ 3.1Å; E105-R108 IonicContact OE2-NH1 2.69Å; E105-R108 PolarHBondContact OE2-NH1 3.21Å; E105-R108 IonicContact OE2-NH2 2.73Å; E105-R108 PolarHBondContact OE2-NH2 3.12Å; E105-Q109 WeakPolarHBondContact O-CG 3.45Å; E105-Q109 PolarHBondContact O-N 3.35Å; E105-Q109 VanDerWaalsContact O-N 3.09Å; E105-Q109 PolarHBondContact OE1-NE2 3.03Å |
| 106 | Q | 94.9 | Very high | 85.3 | Confident | 97 Ų | 97 | 108.6 Ų | 108.6 | 45% | 0.453 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.7 | -42.9 | 177.8 | -76.2 | 175.9 | -5.8 | 0 | 0 | 112.1 | Q102 I103 R108 Q109 I110 | Q102-Q106 WeakPolarHBondContact O-CG 3.36Å; Q102-Q106 PolarHBondContact O-N 3.43Å; I103-Q106 PolarHBondContact O-N 3.46Å; I103-Q106 VanDerWaalsContact O-N 3.15Å; Q106-R108 VanDerWaalsContact C-N 3.31Å; Q106-R108 PolarHBondContact O-N 3.44Å; Q106-Q109 PolarHBondContact O-N 2.98Å; Q106-I110 WeakPolarHBondContact O-CG1 3.31Å; Q106-I110 PolarHBondContact O-N 2.98Å |
| 107 | L | 93.1 | Very high | 83.6 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.2 | -39 | 175.7 | -70.5 | 172.7 | 0 | 0 | 0 | 111.8 | I103 E105 I110 G111 | I103-L107 HydrophobicContact CG2-CD1 4Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 WeakPolarHBondContact O-CG 3.34Å; I103-L107 PolarHBondContact O-N 2.79Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 2.9Å; L107-I110 PolarHBondContact O-N 3.14Å; L107-G111 PolarHBondContact O-N 2.86Å |
| 108 | R | 91.4 | Very high | 82.2 | Confident | 152 Ų | 152 | 108 Ų | 108 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -39.6 | 175.2 | -165 | 177.3 | 76.4 | -112.3 | -1.7 | 112.1 | D104 E105 Q106 A112 | D104-R108 PolarHBondContact O-N 3.11Å; E105-R108 WeakPolarHBondContact O-CB 3.43Å; E105-R108 PolarHBondContact O-N 3.24Å; E105-R108 VanDerWaalsContact O-N 3.14Å; E105-R108 IonicContact OE1-CZ 3.49Å; E105-R108 IonicContact OE1-NH1 3.79Å; E105-R108 IonicContact OE1-NH2 2.82Å; E105-R108 PolarHBondContact OE1-NH2 3.15Å; E105-R108 IonicContact OE2-CZ 3.1Å; E105-R108 IonicContact OE2-NH1 2.69Å; E105-R108 PolarHBondContact OE2-NH1 3.21Å; E105-R108 IonicContact OE2-NH2 2.73Å; E105-R108 PolarHBondContact OE2-NH2 3.12Å; Q106-R108 VanDerWaalsContact C-N 3.31Å; Q106-R108 PolarHBondContact O-N 3.44Å; R108-A112 VanDerWaalsContact O-CB 3.24Å; R108-A112 WeakPolarHBondContact O-CB 3.09Å; R108-A112 PolarHBondContact O-N 2.86Å |
| 109 | Q | 89.3 | Confident | 79.9 | Confident | 114 Ų | 114 | 108.7 Ų | 108.7 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.7 | -44.5 | 178.8 | -66.8 | 173.3 | 17.1 | 0 | 0 | 111.8 | E105 Q106 A112 S113 | E105-Q109 WeakPolarHBondContact O-CG 3.45Å; E105-Q109 PolarHBondContact O-N 3.35Å; E105-Q109 VanDerWaalsContact O-N 3.09Å; E105-Q109 PolarHBondContact OE1-NE2 3.03Å; Q106-Q109 PolarHBondContact O-N 2.98Å; Q109-A112 PolarHBondContact O-N 2.75Å; Q109-S113 WeakPolarHBondContact O-CB 3.28Å; Q109-S113 PolarHBondContact O-N 3.42Å; Q109-S113 VanDerWaalsContact O-N 3.17Å |
| 110 | I | 86.1 | Confident | 77.7 | Confident | 122 Ų | 122 | 113.9 Ų | 113.9 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.7 | -46.5 | 176.4 | -63.2 | 167 | 0 | 0 | 0 | 110.7 | Q106 L107 A112 S113 S114 | Q106-I110 WeakPolarHBondContact O-CG1 3.31Å; Q106-I110 PolarHBondContact O-N 2.98Å; L107-I110 PolarHBondContact O-N 3.14Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 2.87Å; I110-S113 PolarHBondContact O-N 2.85Å; I110-S114 PolarHBondContact O-N 3.06Å |
| 111 | G | 75.9 | Confident | 75.5 | Confident | 47 Ų | 47 | 111.6 Ų | 111.6 | 49% | 0.485 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.4 | -29.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L107 S114 | L107-G111 PolarHBondContact O-N 2.86Å; G111-S114 PolarHBondContact O-OG 3.14Å |
| 112 | A | 63 | Low | 73.4 | Confident | 71 Ų | 71 | 114 Ų | 114 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.4 | -33.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R108 Q109 I110 S114 | R108-A112 VanDerWaalsContact O-CB 3.24Å; R108-A112 WeakPolarHBondContact O-CB 3.09Å; R108-A112 PolarHBondContact O-N 2.86Å; Q109-A112 PolarHBondContact O-N 2.75Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 2.87Å; A112-S114 VanDerWaalsContact C-N 3.3Å; A112-S114 PolarHBondContact O-N 3.41Å |
| 113 | S | 60 | Low | 71.6 | Confident | 106 Ų | 106 | 117.2 Ų | 117.2 | 74% | 0.741 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.4 | -21.8 | -177.9 | -163.1 | 0 | 0 | 0 | 0 | 113.8 | Q109 I110 R115 | Q109-S113 WeakPolarHBondContact O-CB 3.28Å; Q109-S113 PolarHBondContact O-N 3.42Å; Q109-S113 VanDerWaalsContact O-N 3.17Å; I110-S113 PolarHBondContact O-N 2.85Å; S113-R115 VanDerWaalsContact C-N 3.35Å; S113-R115 PolarHBondContact O-N 2.88Å |
| 114 | S | 58 | Low | 69.4 | Low | 97 Ų | 97 | 122.5 Ų | 122.5 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -7.3 | -178.5 | 70.6 | 0 | 0 | 0 | 0 | 114.9 | I110 G111 A112 P116 | I110-S114 PolarHBondContact O-N 3.06Å; G111-S114 PolarHBondContact O-OG 3.14Å; A112-S114 VanDerWaalsContact C-N 3.3Å; A112-S114 PolarHBondContact O-N 3.41Å; S114-P116 WeakPolarHBondContact O-CD 3.3Å |
| 115 | R | 62 | Low | 67.2 | Low | 202 Ų | 202 | 128.8 Ų | 128.8 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -80.7 | 122.5 | -178.9 | -163.3 | 178 | -168.4 | -166.6 | 3.2 | 110.7 | S113 | S113-R115 VanDerWaalsContact C-N 3.35Å; S113-R115 PolarHBondContact O-N 2.88Å |
| 116 | P | 57.1 | Low | 65 | Low | 100 Ų | 100 | 128.5 Ų | 128.5 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 146.9 | 173.8 | -25.1 | 35 | 0 | 0 | 0 | 111.9 | S114 | S114-P116 WeakPolarHBondContact O-CD 3.3Š|
| 117 | P | 62.6 | Low | 62.6 | Low | 112 Ų | 112 | 134.4 Ų | 134.4 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130.3 | -178.5 | 23.8 | -33.6 | 0 | 0 | 0 | 110.6 | N119 | P117-N119 PolarHBondContact O-N 3.06Š|
| 118 | P | 65.1 | Low | 60.4 | Low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -81.2 | 61.4 | -172 | 33.2 | -37 | 0 | 0 | 0 | 112.3 | ||
| 119 | N | 48.4 | Very low | 58.8 | Low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -171.8 | 136.9 | 169.9 | -107.1 | -84.6 | 0 | 0 | 0 | 107.4 | P117 | P117-N119 PolarHBondContact O-N 3.06Š| ||
| 120 | R | 50.3 | Low | 57 | Low | 213 Ų | 213 | 135.5 Ų | 135.5 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | cis | -141.1 | 154.2 | 19.9 | -65.6 | -173.9 | 158.6 | 147.5 | -3.5 | 113.3 | ||||
| 121 | T | 50.4 | Low | 55.3 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | trans | 45.2 | 90.8 | 150.1 | 50.7 | 0 | 0 | 0 | 0 | 119.2 | K123 | T121-K123 PolarHBondContact O-N 2.85Å; T121-K123 VanDerWaalsContact O-N 3.12Å | ||
| 122 | D | 51.4 | Low | 54.1 | Low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -57.8 | 100.6 | 137.9 | 167.1 | 34.6 | 0 | 0 | 0 | 109 | ||||
| 123 | K | 57.7 | Low | 54 | Low | 188 Ų | 188 | 145.2 Ų | 145.2 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -160.4 | 15.3 | 172.4 | -130.8 | 178 | -177.8 | -179.9 | 0 | 119.4 | T121 | T121-K123 PolarHBondContact O-N 2.85Å; T121-K123 VanDerWaalsContact O-N 3.12Å | ||
| 124 | E | 49.9 | Very low | 53.8 | Low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -139.4 | 75.2 | 170.7 | 59.2 | -168.7 | 159 | 0 | 0 | 113.6 | G126 | E124-G126 PolarHBondContact O-N 2.59Š| ||
| 125 | K | 50.5 | Low | 53.6 | Low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -71.1 | 75 | 155.5 | -170.1 | -177.3 | -177.5 | -61.5 | 0 | 108.6 | ||||
| 126 | G | 48.2 | Very low | 52.8 | Low | 59 Ų | 59 | 145.9 Ų | 145.9 | 61% | 0.608 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 145.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E124 | E124-G126 PolarHBondContact O-N 2.59Š|
| 127 | Y | 43.5 | Very low | 52.6 | Low | 222 Ų | 222 | 148.2 Ų | 148.2 | 87% | 0.871 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 157 | -177.1 | -148.7 | -98.4 | 0 | 0 | 0 | 111.2 | T129 | Y127-T129 PolarHBondContact O-N 3.24Š|
| 128 | V | 48.2 | Very low | 52.1 | Low | 114 Ų | 114 | 150.1 Ų | 150.1 | 69% | 0.691 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 127.3 | -178 | -170.6 | 0 | 0 | 0 | 0 | 110 | ||
| 129 | T | 57 | Low | 51.4 | Low | 130 Ų | 130 | 152.2 Ų | 152.2 | 80% | 0.798 | 85% | 0.849 | S | S | * | * | trans | -124.7 | 103.3 | 159.5 | 50.8 | 0 | 0 | 0 | 0 | 108.1 | Y127 | Y127-T129 PolarHBondContact O-N 3.24Š| ||
| 130 | D | 51 | Low | 51.5 | Low | 151 Ų | 151 | 153.2 Ų | 153.2 | 81% | 0.807 | 86% | 0.856 | S | S | * | * | trans | -138.7 | 115 | 165 | -172.9 | 46.6 | 0 | 0 | 0 | 105.6 | ||||
| 131 | D | 51 | Low | 51.6 | Low | 160 Ų | 160 | 149.4 Ų | 149.4 | 86% | 0.856 | 86% | 0.86 | S | S | * | * | trans | -90.2 | 121.7 | -166 | -72.3 | -69.5 | 0 | 0 | 0 | 111.5 | ||||
| 132 | G | 50.8 | Low | 51.7 | Low | 76 Ų | 76 | 151.6 Ų | 151.6 | 78% | 0.784 | 87% | 0.869 | S | S | * | * | trans | -134 | 47.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G134 | G132-G134 PolarHBondContact O-N 2.82Š| ||
| 133 | Q | 60.7 | Low | 51.7 | Low | 207 Ų | 207 | 150.8 Ų | 150.8 | 97% | 0.967 | 87% | 0.869 | S | S | * | * | trans | -78 | 107.6 | 174.9 | -69.8 | -176.1 | -63.6 | 0 | 0 | 112.2 | ||||
| 134 | G | 55 | Low | 51.3 | Low | 61 Ų | 61 | 147.9 Ų | 147.9 | 63% | 0.629 | 87% | 0.873 | S | S | * | * | trans | -170.7 | 110.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | G132 | G132-G134 PolarHBondContact O-N 2.82Š| ||
| 135 | M | 55.7 | Low | 51.4 | Low | 202 Ų | 202 | 144.8 Ų | 144.8 | 100% | 0.995 | 87% | 0.873 | S | S | * | * | 67.5 | 110.7 | 73 | -66.2 | -69.8 | -171.1 | 0 | 0 | 112.5 | |||||
| 136 | G | 44.9 | Very low | 51.5 | Low | 156 Ų | 156 | 139.8 Ų | 139.8 | 100% | 1.608 | 87% | 0.874 | S | S | * | * | trans | 155.6 | 0 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 136 of 136 residues in 107 ms
(Link to these results)