| 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 | 32.6 | Very low | 27.4 | Very low | 243 Ų | 243 | 139.3 Ų | 139.3 | 100% | 1.197 | 81% | 0.814 | S | S | * | * | 0 | 135.5 | 0 | -87.2 | 160.9 | 126.5 | 0 | 0 | 108.1 | |||||
| 2 | E | 35.2 | Very low | 27.3 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | 60.6 | 89.8 | 177.2 | -127.5 | 109.9 | 117.3 | 0 | 0 | 120.6 | ||||
| 3 | S | 24.9 | Very low | 27.2 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | trans | -79.9 | 116.9 | 159.4 | 145.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 4 | S | 27.9 | Very low | 27.1 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -108.2 | 96.6 | 165.4 | -160.5 | 0 | 0 | 0 | 0 | 109.6 | T6 | S4-T6 PolarHBondContact O-N 3.4Š| ||
| 5 | K | 24.7 | Very low | 27.6 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -78 | 108.1 | 172.7 | -69.7 | 174.5 | 178.8 | 176.7 | 0 | 107.9 | ||||
| 6 | T | 29.2 | Very low | 27.5 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -97.7 | 105.8 | 169.8 | -34.6 | 0 | 0 | 0 | 0 | 109.2 | S4 | S4-T6 PolarHBondContact O-N 3.4Š| ||
| 7 | S | 24.1 | Very low | 27.8 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -68.7 | 122.7 | -175.1 | -150.1 | 0 | 0 | 0 | 0 | 111.2 | I9 | S7-I9 PolarHBondContact O-N 2.89Š| ||
| 8 | C | 25.4 | Very low | 27.7 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -82.5 | 103.8 | 171.3 | -74.2 | 0 | 0 | 0 | 0 | 109.5 | S10 | C8-S10 PolarHBondContact O-N 3.24Š| ||
| 9 | I | 26.9 | Very low | 27.8 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -79.5 | 102.7 | 171.9 | -59.1 | 172.4 | 0 | 0 | 0 | 107.7 | S7 A11 | S7-I9 PolarHBondContact O-N 2.89Å; I9-A11 PolarHBondContact O-N 3.06Å; I9-A11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | S | 24.7 | Very low | 27.7 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -74.3 | 94.3 | 168.5 | 169.7 | 0 | 0 | 0 | 0 | 109.3 | C8 H12 | C8-S10 PolarHBondContact O-N 3.24Å; S10-H12 PolarHBondContact O-N 3.3Å | ||
| 11 | A | 26.2 | Very low | 27.7 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | trans | -78 | 103.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I9 F13 | I9-A11 PolarHBondContact O-N 3.06Å; I9-A11 VanDerWaalsContact O-N 3.14Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 3.27Å | ||
| 12 | H | 25.5 | Very low | 27.4 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -78.2 | 84.1 | 172.9 | -161.8 | -92.5 | 0 | 0 | 0 | 109 | S10 S14 | S10-H12 PolarHBondContact O-N 3.3Å; H12-S14 PolarHBondContact O-N 3.2Å | ||
| 13 | F | 26.4 | Very low | 27 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 74% | 0.737 | 76% | 0.756 | S | S | * | * | trans | -89.9 | 99.6 | -177.7 | -139.7 | -96.7 | 0 | 0 | 0 | 110.1 | A11 I15 | A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 3.27Å; F13-I15 HydrophobicContact CD1-CD1 3.34Å; F13-I15 HydrophobicContact CD1-CG1 3.41Å; F13-I15 VanDerWaalsContact CD1-CG1 3.41Å; F13-I15 HydrophobicContact CE1-CD1 3.58Å; F13-I15 HydrophobicContact CE1-CG1 3.57Å; F13-I15 PolarHBondContact O-N 3.19Å | ||
| 14 | S | 25.8 | Very low | 27.1 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -82.7 | 84.7 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | H12 N16 | H12-S14 PolarHBondContact O-N 3.2Å; S14-N16 PolarHBondContact O-N 3.26Å | ||
| 15 | I | 33.8 | Very low | 27 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 57% | 0.574 | 76% | 0.762 | S | S | * | * | trans | -89.7 | 100.3 | 170.1 | -70.5 | 158.4 | 0 | 0 | 0 | 108.5 | F13 T17 | F13-I15 HydrophobicContact CD1-CD1 3.34Å; F13-I15 HydrophobicContact CD1-CG1 3.41Å; F13-I15 VanDerWaalsContact CD1-CG1 3.41Å; F13-I15 HydrophobicContact CE1-CD1 3.58Å; F13-I15 HydrophobicContact CE1-CG1 3.57Å; F13-I15 PolarHBondContact O-N 3.19Å; I15-T17 WeakPolarHBondContact CG2-OG1 2.91Å; I15-T17 PolarHBondContact O-N 3.26Å | ||
| 16 | N | 26.7 | Very low | 27.2 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -64.8 | 85.1 | 158.8 | -77.9 | -33.7 | 0 | 0 | 0 | 108.4 | S14 | S14-N16 PolarHBondContact O-N 3.26Š| ||
| 17 | T | 31.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 144 Ų | 144 | 59% | 0.589 | 76% | 0.761 | S | S | * | * | trans | -149.1 | 113.2 | 166.5 | -39.8 | 0 | 0 | 0 | 0 | 109.9 | I15 I19 | I15-T17 WeakPolarHBondContact CG2-OG1 2.91Å; I15-T17 PolarHBondContact O-N 3.26Å; T17-I19 PolarHBondContact O-N 3.19Å | ||
| 18 | F | 26.5 | Very low | 27.3 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | -63.8 | 125.7 | 169.4 | -86.2 | -103.2 | 0 | 0 | 0 | 109.1 | ||||
| 19 | I | 30.1 | Very low | 27.5 | Very low | 130 Ų | 130 | 141 Ų | 141 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | trans | -131.2 | 105.2 | 161.4 | -51.3 | 179 | 0 | 0 | 0 | 107.2 | T17 L21 | T17-I19 PolarHBondContact O-N 3.19Å; I19-L21 HydrophobicContact CG2-CD1 3.68Å; I19-L21 HydrophobicContact CG2-CG 3.89Å | ||
| 20 | M | 24.7 | Very low | 27.8 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 84% | 0.837 | 73% | 0.73 | S | S | * | * | trans | -70.9 | 117.9 | 163.1 | -117.6 | -162.7 | 179.6 | 0 | 0 | 107.2 | ||||
| 21 | L | 28.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | -121.5 | 109 | 167.5 | -85.4 | 152.7 | 0 | 0 | 0 | 108.5 | I19 | I19-L21 HydrophobicContact CG2-CD1 3.68Å; I19-L21 HydrophobicContact CG2-CG 3.89Å | ||
| 22 | R | 26.8 | Very low | 28.6 | Very low | 224 Ų | 224 | 140.7 Ų | 140.7 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | trans | -76.6 | 120.8 | 177.7 | -164.5 | -173.7 | -80.1 | -167.6 | -4 | 107.4 | E24 | R22-E24 PolarHBondContact O-N 3.17Å; R22-E24 VanDerWaalsContact O-N 3.09Å | ||
| 23 | C | 26.2 | Very low | 28.9 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 95% | 0.953 | 70% | 0.704 | S | S | * | * | trans | -77.7 | 92.1 | 178.3 | -79.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | E | 27.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -125.6 | 103.3 | 158.8 | -150.5 | 172.7 | 157.2 | 0 | 0 | 105.3 | R22 F26 | R22-E24 PolarHBondContact O-N 3.17Å; R22-E24 VanDerWaalsContact O-N 3.09Å; E24-F26 VanDerWaalsContact O-CD2 3.24Å; E24-F26 WeakPolarHBondContact O-CD2 3.49Å; E24-F26 PolarHBondContact O-N 2.78Å; E24-F26 VanDerWaalsContact O-N 3.16Å |
| 25 | Q | 25.8 | Very low | 30.1 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 51.9 | 36 | 158.2 | -109.1 | -174.1 | -16.9 | 0 | 0 | 121.6 | ||
| 26 | F | 29.2 | Very low | 30.2 | Very low | 188 Ų | 188 | 135 Ų | 135 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -139.8 | 144.7 | 176.2 | -71.8 | -76.9 | 0 | 0 | 0 | 118.4 | E24 | E24-F26 VanDerWaalsContact O-CD2 3.24Å; E24-F26 WeakPolarHBondContact O-CD2 3.49Å; E24-F26 PolarHBondContact O-N 2.78Å; E24-F26 VanDerWaalsContact O-N 3.16Å | ||
| 27 | N | 26.3 | Very low | 30.5 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | -54.9 | 124.1 | -178.8 | -70.7 | -51.4 | 0 | 0 | 0 | 113.2 | G29 | N27-G29 PolarHBondContact O-N 3.02Š| ||
| 28 | L | 29.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | trans | -83.2 | 101.9 | 169.4 | -87.7 | 153.2 | 0 | 0 | 0 | 109.5 | ||||
| 29 | G | 29.2 | Very low | 30.8 | Very low | 52 Ų | 52 | 139 Ų | 139 | 54% | 0.536 | 73% | 0.725 | S | S | . | * | trans | -99 | 113.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N27 | N27-G29 PolarHBondContact O-N 3.02Š| ||
| 30 | Y | 32.6 | Very low | 30.9 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 60% | 0.6 | 72% | 0.715 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.8 | 167.6 | -177.7 | -104 | 0 | 0 | 0 | 109.1 | Q32 C41 | Y30-Q32 HydrophobicContact CD1-CB 4.45Å; Y30-Q32 HydrophobicContact CE1-CB 3.72Å; Y30-Q32 HydrophobicContact CE1-CG 4.05Å; Y30-C41 PolarHBondContact O-N 3.29Å |
| 31 | V | 34.5 | Very low | 31.1 | Very low | 63 Ų | 63 | 131.6 Ų | 131.6 | 38% | 0.382 | 70% | 0.701 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 105.9 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | K38 I39 | V31-K38 HydrophobicContact CG1-CB 3.41Å; V31-K38 VanDerWaalsContact CG1-CB 3.41Å; V31-K38 HydrophobicContact CG1-CD 4Å; V31-K38 HydrophobicContact CG1-CG 3.49Å; V31-K38 VanDerWaalsContact CG1-CG 3.49Å; V31-I39 VanDerWaalsContact CA-O 3.29Å; V31-I39 WeakPolarHBondContact CA-O 3.38Å |
| 32 | Q | 33.8 | Very low | 31.4 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 57% | 0.57 | 70% | 0.696 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 138.6 | 178.2 | -156.7 | 168.5 | 13.5 | 0 | 0 | 110.5 | Y30 | Y30-Q32 HydrophobicContact CD1-CB 4.45Å; Y30-Q32 HydrophobicContact CE1-CB 3.72Å; Y30-Q32 HydrophobicContact CE1-CG 4.05Å |
| 33 | P | 33.1 | Very low | 32 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.6 | -173.6 | 33.3 | -29.9 | 0 | 0 | 0 | 111.1 | ||
| 34 | V | 35.1 | Very low | 32.5 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -138.6 | 112.3 | 160.1 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | G36 R37 | V34-G36 PolarHBondContact O-N 3.16Å; V34-R37 PolarHBondContact O-N 3.04Å; V34-R37 VanDerWaalsContact O-N 3.12Å |
| 35 | S | 41.9 | Very low | 33.1 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.6 | 45.9 | 169.7 | -58.2 | 0 | 0 | 0 | 0 | 116.1 | R37 | S35-R37 PolarHBondContact O-N 3.17Š|
| 36 | G | 36.2 | Very low | 33.8 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 89% | 0.887 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.2 | 8.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | V34 | V34-G36 PolarHBondContact O-N 3.16Š|
| 37 | R | 32.7 | Very low | 34.2 | Very low | 208 Ų | 208 | 119.2 Ų | 119.2 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.7 | 175.8 | -63.9 | -175.2 | 178.3 | -171.6 | -0.6 | 110.9 | V34 S35 | V34-R37 PolarHBondContact O-N 3.04Å; V34-R37 VanDerWaalsContact O-N 3.12Å; S35-R37 PolarHBondContact O-N 3.17Å |
| 38 | K | 32.2 | Very low | 34.7 | Very low | 178 Ų | 178 | 118.3 Ų | 118.3 | 77% | 0.774 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.7 | 178.6 | -67.9 | -172.1 | 176.1 | 176.2 | 0 | 109.7 | V31 | V31-K38 HydrophobicContact CG1-CB 3.41Å; V31-K38 VanDerWaalsContact CG1-CB 3.41Å; V31-K38 HydrophobicContact CG1-CD 4Å; V31-K38 HydrophobicContact CG1-CG 3.49Å; V31-K38 VanDerWaalsContact CG1-CG 3.49Å |
| 39 | I | 32.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 113 | 168.3 | -62.2 | 169.5 | 0 | 0 | 0 | 107.5 | V31 | V31-I39 VanDerWaalsContact CA-O 3.29Å; V31-I39 WeakPolarHBondContact CA-O 3.38Å |
| 40 | S | 32 | Very low | 35.4 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 46% | 0.455 | 70% | 0.699 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.7 | 178.6 | 41 | 0 | 0 | 0 | 0 | 110.8 | ||
| 41 | C | 29.4 | Very low | 35.5 | Very low | 81 Ų | 81 | 119.6 Ų | 119.6 | 55% | 0.547 | 70% | 0.698 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.5 | 174.8 | -67 | 0 | 0 | 0 | 0 | 111.4 | Y30 | Y30-C41 PolarHBondContact O-N 3.29Å |
| 42 | Y | 32.6 | Very low | 35.3 | Very low | 162 Ų | 162 | 122 Ų | 122 | 64% | 0.635 | 72% | 0.715 | S | S | * | * | trans | -108.9 | 138.6 | 177.9 | -58.6 | -92.1 | 0 | 0 | 0 | 109.6 | ||||
| 43 | I | 40.3 | Very low | 35.2 | Very low | 129 Ų | 129 | 120.7 Ų | 120.7 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | trans | -97 | 106.1 | 175.2 | -61.7 | 172.8 | 0 | 0 | 0 | 108.5 | ||||
| 44 | T | 36.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | trans | -100 | 131.5 | 170 | 38.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 45 | G | 40.3 | Very low | 35 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 89.5 | 26.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 46 | K | 41.4 | Very low | 34.6 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | -126.5 | 132.6 | 171.6 | -66.3 | -170.3 | 178.9 | 180 | 0 | 112.7 | ||||
| 47 | S | 36 | Very low | 34.5 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | trans | -54.7 | 146.3 | -176.7 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | I49 | S47-I49 PolarHBondContact O-N 2.79Š| ||
| 48 | P | 38 | Very low | 34.7 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | trans | -59.8 | 127.3 | -180 | 25.1 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 49 | I | 37 | Very low | 34.8 | Very low | 165 Ų | 165 | 119.5 Ų | 119.5 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | trans | -96.4 | 105.9 | 173 | -60.7 | 168.6 | 0 | 0 | 0 | 107.2 | S47 | S47-I49 PolarHBondContact O-N 2.79Š| ||
| 50 | S | 35.1 | Very low | 35.2 | Very low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -107.8 | 117.6 | 172.7 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 51 | A | 34.4 | Very low | 35.5 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | trans | -122.7 | 128.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L53 | A51-L53 PolarHBondContact O-N 2.98Š| ||
| 52 | P | 30.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | trans | -69.2 | 119.7 | 176.8 | 25.8 | -30.6 | 0 | 0 | 0 | 110.5 | Q54 | P52-Q54 PolarHBondContact O-N 2.94Å; P52-Q54 VanDerWaalsContact O-N 3.07Å | ||
| 53 | L | 31.2 | Very low | 36.2 | Very low | 95 Ų | 95 | 125 Ų | 125 | 50% | 0.497 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -39.7 | 100.3 | 163.6 | -118.2 | 89.4 | 0 | 0 | 0 | 110.8 | A51 L85 F87 | A51-L53 PolarHBondContact O-N 2.98Å; L53-L85 HydrophobicContact CD1-CD1 3.85Å; L53-L85 HydrophobicContact CD2-CD1 4.37Å; L53-L85 HydrophobicContact CG-CD1 3.78Å; L53-F87 HydrophobicContact CB-CE1 3.6Å; L53-F87 HydrophobicContact CB-CZ 3.37Å; L53-F87 HydrophobicContact CD2-CD1 4.47Å; L53-F87 HydrophobicContact CD2-CE1 3.55Å; L53-F87 HydrophobicContact CD2-CZ 3.55Å; L53-F87 HydrophobicContact CG-CE1 4.04Å; L53-F87 HydrophobicContact CG-CZ 3.7Å; L53-F87 WeakPolarHBondContact O-CE1 3.18Å; L53-F87 WeakPolarHBondContact O-CZ 3.33Å |
| 54 | Q | 32.4 | Very low | 35.9 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169 | 1.9 | 149.7 | -96.7 | -168.9 | 5.3 | 0 | 0 | 116.4 | P52 F87 | P52-Q54 PolarHBondContact O-N 2.94Å; P52-Q54 VanDerWaalsContact O-N 3.07Å; Q54-F87 HydrophobicContact CB-CE2 4.21Å; Q54-F87 HydrophobicContact CB-CZ 4.19Å; Q54-F87 HydrophobicContact CG-CD1 4.45Å; Q54-F87 HydrophobicContact CG-CD2 3.63Å; Q54-F87 HydrophobicContact CG-CE1 3.91Å; Q54-F87 HydrophobicContact CG-CE2 3.03Å; Q54-F87 HydrophobicContact CG-CG 4.35Å; Q54-F87 HydrophobicContact CG-CZ 3.23Å |
| 55 | Q | 32.2 | Very low | 36.2 | Very low | 142 Ų | 142 | 119.6 Ų | 119.6 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | -128 | 129.5 | -176.2 | -68.4 | -178.2 | -13.6 | 0 | 0 | 112.8 | F57 | Q55-F57 HydrophobicContact CB-CD2 4.28Å; Q55-F57 HydrophobicContact CB-CE1 4.32Å; Q55-F57 HydrophobicContact CB-CE2 3.65Å; Q55-F57 HydrophobicContact CB-CZ 3.67Å; Q55-F57 WeakPolarHBondContact O-CD2 3.4Å; Q55-F57 WeakPolarHBondContact O-CE2 3.23Å; Q55-F57 PolarHBondContact O-N 3.48Å | ||
| 56 | S | 33 | Very low | 35.9 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | trans | -67.6 | 92.9 | 170.6 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | L58 | S56-L58 PolarHBondContact O-N 2.9Š| ||
| 57 | F | 35.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 55% | 0.553 | 66% | 0.656 | S | S | * | * | trans | -79.3 | 102.6 | 172.3 | -65 | -77 | 0 | 0 | 0 | 108.7 | Q55 C59 | Q55-F57 HydrophobicContact CB-CD2 4.28Å; Q55-F57 HydrophobicContact CB-CE1 4.32Å; Q55-F57 HydrophobicContact CB-CE2 3.65Å; Q55-F57 HydrophobicContact CB-CZ 3.67Å; Q55-F57 WeakPolarHBondContact O-CD2 3.4Å; Q55-F57 WeakPolarHBondContact O-CE2 3.23Å; Q55-F57 PolarHBondContact O-N 3.48Å; F57-C59 PolarHBondContact O-N 3.42Å | ||
| 58 | L | 36.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 116.1 Ų | 116.1 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | trans | -70.8 | 83 | 157.8 | -134.2 | 89.6 | 0 | 0 | 0 | 106.3 | S56 K60 | S56-L58 PolarHBondContact O-N 2.9Å; L58-K60 PolarHBondContact O-N 3.46Å | ||
| 59 | C | 34.9 | Very low | 35.8 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 69% | 0.689 | 64% | 0.636 | S | S | * | * | trans | -66.2 | 92.1 | 168.3 | -95.2 | 0 | 0 | 0 | 0 | 107.7 | F57 H61 | F57-C59 PolarHBondContact O-N 3.42Å; C59-H61 PolarHBondContact O-N 3.45Å | ||
| 60 | K | 39.3 | Very low | 36.2 | Very low | 196 Ų | 196 | 112.1 Ų | 112.1 | 85% | 0.852 | 64% | 0.636 | S | S | * | * | trans | -73.8 | 7.9 | 169.6 | -144.4 | -177.6 | -177.3 | -175.8 | 0 | 112.3 | L58 A62 | L58-K60 PolarHBondContact O-N 3.46Å; K60-A62 PolarHBondContact O-N 3.32Å | ||
| 61 | H | 38.6 | Very low | 36.8 | Very low | 165 Ų | 165 | 112.4 Ų | 112.4 | 76% | 0.764 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -90.1 | 98.6 | 164.9 | -67 | 97.2 | 0 | 0 | 0 | 107.5 | C59 L63 | C59-H61 PolarHBondContact O-N 3.45Å; H61-L63 PolarHBondContact O-N 2.85Å |
| 62 | A | 37.5 | Very low | 37.3 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | trans | -51.1 | 106.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | K60 N64 I78 | K60-A62 PolarHBondContact O-N 3.32Å; A62-N64 VanDerWaalsContact C-N 3.27Å; A62-N64 PolarHBondContact O-N 3.45Å; A62-I78 HydrophobicContact CB-CG2 4.4Å | ||
| 63 | L | 40.5 | Very low | 37.7 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | trans | -67.3 | 99 | 169 | -167.3 | 77 | 0 | 0 | 0 | 105.1 | H61 V65 | H61-L63 PolarHBondContact O-N 2.85Å; L63-V65 HydrophobicContact CB-CG2 4.35Å; L63-V65 HydrophobicContact CD2-CG2 3.53Å; L63-V65 HydrophobicContact CG-CG2 3.69Å; L63-V65 PolarHBondContact O-N 3.48Å | ||
| 64 | N | 33.3 | Very low | 38.2 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | trans | -75 | 82.8 | 178.8 | -144 | 29.1 | 0 | 0 | 0 | 107.3 | A62 T66 | A62-N64 VanDerWaalsContact C-N 3.27Å; A62-N64 PolarHBondContact O-N 3.45Å; N64-T66 PolarHBondContact O-N 3.29Å | ||
| 65 | V | 41.7 | Very low | 38.4 | Very low | 44 Ų | 44 | 109.2 Ų | 109.2 | 27% | 0.267 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 93.4 | 172.8 | -167 | 0 | 0 | 0 | 0 | 106.1 | L63 L67 | L63-V65 HydrophobicContact CB-CG2 4.35Å; L63-V65 HydrophobicContact CD2-CG2 3.53Å; L63-V65 HydrophobicContact CG-CG2 3.69Å; L63-V65 PolarHBondContact O-N 3.48Å; V65-L67 HydrophobicContact CG1-CD1 4.29Å; V65-L67 PolarHBondContact O-N 2.83Å; V65-L67 VanDerWaalsContact O-N 3.11Å |
| 66 | T | 35.2 | Very low | 38.7 | Very low | 86 Ų | 86 | 107.1 Ų | 107.1 | 53% | 0.528 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.9 | 106.4 | 167.3 | 47.9 | 0 | 0 | 0 | 0 | 107.6 | N64 S68 D76 | N64-T66 PolarHBondContact O-N 3.29Å; T66-S68 PolarHBondContact O-N 3.07Å; T66-D76 VanDerWaalsContact CG2-OD1 3.3Å; T66-D76 WeakPolarHBondContact CG2-OD1 3.34Å |
| 67 | L | 35.3 | Very low | 38.9 | Very low | 89 Ų | 89 | 104.6 Ų | 104.6 | 47% | 0.466 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 107.2 | 168.4 | -88.9 | 78.8 | 0 | 0 | 0 | 107.7 | V65 N69 N74 C75 V77 | V65-L67 HydrophobicContact CG1-CD1 4.29Å; V65-L67 PolarHBondContact O-N 2.83Å; V65-L67 VanDerWaalsContact O-N 3.11Å; L67-N69 PolarHBondContact O-N 3.27Å; L67-N74 WeakPolarHBondContact O-CA 3.46Å; L67-C75 WeakPolarHBondContact CB-O 3.42Å; L67-C75 PolarHBondContact N-O 2.92Å; L67-C75 PolarHBondContact O-N 2.87Å; L67-V77 HydrophobicContact CD1-CB 4.18Å; L67-V77 HydrophobicContact CD1-CG2 4.17Å |
| 68 | S | 37.4 | Very low | 39 | Very low | 96 Ų | 96 | 103.5 Ų | 103.5 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | trans | -83 | 109.2 | 166.6 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | T66 N74 | T66-S68 PolarHBondContact O-N 3.07Å; S68-N74 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 69 | N | 40.1 | Very low | 39 | Very low | 74 Ų | 74 | 100.4 Ų | 100.4 | 40% | 0.396 | 58% | 0.581 | S | S | . | * | trans | -102.8 | 120.5 | 164.3 | -171.6 | -30.5 | 0 | 0 | 0 | 107.5 | L67 T71 T72 | L67-N69 PolarHBondContact O-N 3.27Å; N69-T71 PolarHBondContact O-N 2.92Å; N69-T71 PolarHBondContact OD1-N 3.47Å; N69-T71 PolarHBondContact OD1-OG1 3.37Å; N69-T72 VanDerWaalsContact CG-OG1 3.3Å; N69-T72 PolarHBondContact ND2-OG1 3.49Å; N69-T72 PolarHBondContact O-N 3.4Å | ||
| 70 | P | 45.7 | Very low | 39 | Very low | 130 Ų | 130 | 104.4 Ų | 104.4 | 84% | 0.844 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -11.3 | -178.9 | 25.2 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 71 | T | 47.4 | Very low | 38.8 | Very low | 122 Ų | 122 | 104.1 Ų | 104.1 | 75% | 0.748 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -9.6 | -171.8 | -26 | 0 | 0 | 0 | 0 | 114.1 | N69 | N69-T71 PolarHBondContact O-N 2.92Å; N69-T71 PolarHBondContact OD1-N 3.47Å; N69-T71 PolarHBondContact OD1-OG1 3.37Å |
| 72 | T | 44.6 | Very low | 38.6 | Very low | 113 Ų | 113 | 105.5 Ų | 105.5 | 69% | 0.693 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 10.1 | -171.3 | 18.7 | 0 | 0 | 0 | 0 | 116.6 | N69 | N69-T72 VanDerWaalsContact CG-OG1 3.3Å; N69-T72 PolarHBondContact ND2-OG1 3.49Å; N69-T72 PolarHBondContact O-N 3.4Å |
| 73 | G | 40.6 | Very low | 38.5 | Very low | 45 Ų | 45 | 106.3 Ų | 106.3 | 46% | 0.464 | 60% | 0.595 | S | S | . | * | trans | 77.7 | 160.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C75 | G73-C75 PolarHBondContact O-N 2.95Š| ||
| 74 | N | 39.9 | Very low | 38.1 | Very low | 110 Ų | 110 | 108.7 Ų | 108.7 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | trans | -73 | 122.9 | -171.4 | -62.6 | -22.1 | 0 | 0 | 0 | 110.9 | L67 S68 | L67-N74 WeakPolarHBondContact O-CA 3.46Å; S68-N74 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 75 | C | 37.3 | Very low | 38.1 | Very low | 82 Ų | 82 | 107.9 Ų | 107.9 | 55% | 0.554 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.2 | 169.3 | -83.5 | 0 | 0 | 0 | 0 | 109.2 | L67 G73 V77 | L67-C75 WeakPolarHBondContact CB-O 3.42Å; L67-C75 PolarHBondContact N-O 2.92Å; L67-C75 PolarHBondContact O-N 2.87Å; G73-C75 PolarHBondContact O-N 2.95Å; C75-V77 PolarHBondContact O-N 3.43Å |
| 76 | D | 38.1 | Very low | 37.5 | Very low | 99 Ų | 99 | 114.8 Ų | 114.8 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.3 | 107.8 | 170.5 | -74.8 | -22.8 | 0 | 0 | 0 | 109 | T66 | T66-D76 VanDerWaalsContact CG2-OD1 3.3Å; T66-D76 WeakPolarHBondContact CG2-OD1 3.34Å |
| 77 | V | 36.9 | Very low | 37.3 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 38% | 0.382 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.1 | 113 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | L67 C75 L79 | L67-V77 HydrophobicContact CD1-CB 4.18Å; L67-V77 HydrophobicContact CD1-CG2 4.17Å; C75-V77 PolarHBondContact O-N 3.43Å; V77-L79 HydrophobicContact CG1-CG 4.42Å; V77-L79 PolarHBondContact O-N 3.41Å |
| 78 | I | 37.9 | Very low | 37.1 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 52% | 0.523 | 64% | 0.638 | S | S | . | * | trans | -88.1 | 106.9 | 174.4 | -57.7 | 172.7 | 0 | 0 | 0 | 108.3 | A62 | A62-I78 HydrophobicContact CB-CG2 4.4Š| ||
| 79 | L | 37 | Very low | 36.5 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | trans | -87.4 | 115.4 | 172.6 | -78.5 | 142.3 | 0 | 0 | 0 | 110.1 | V77 Y81 | V77-L79 HydrophobicContact CG1-CG 4.42Å; V77-L79 PolarHBondContact O-N 3.41Å; L79-Y81 HydrophobicContact CB-CD2 4.33Å; L79-Y81 HydrophobicContact CB-CE2 3.82Å; L79-Y81 HydrophobicContact CD2-CE2 4.37Å | ||
| 80 | Q | 34.2 | Very low | 35.9 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | trans | -95.4 | 114.7 | 165.9 | -75.6 | -173.9 | 21.9 | 0 | 0 | 109.8 | ||||
| 81 | Y | 36.4 | Very low | 35.3 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | trans | -92.9 | 126.9 | 172.4 | -72.3 | -88.8 | 0 | 0 | 0 | 110.5 | L79 | L79-Y81 HydrophobicContact CB-CD2 4.33Å; L79-Y81 HydrophobicContact CB-CE2 3.82Å; L79-Y81 HydrophobicContact CD2-CE2 4.37Å | ||
| 82 | K | 33.9 | Very low | 34.4 | Very low | 194 Ų | 194 | 132.8 Ų | 132.8 | 84% | 0.843 | 67% | 0.67 | S | S | * | * | trans | -121.5 | 93.1 | 171 | -170 | 176.8 | -173.8 | 175.9 | 0 | 108.9 | ||||
| 83 | A | 35.8 | Very low | 33.9 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | trans | -91.8 | 131.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 84 | K | 30.9 | Very low | 33.5 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 76% | 0.761 | 69% | 0.685 | S | S | * | * | trans | -112.5 | 124.6 | 164.8 | -78.8 | -176.5 | 174.3 | -177.9 | 0 | 107.5 | ||||
| 85 | L | 34.2 | Very low | 33.3 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 45% | 0.45 | 69% | 0.691 | S | S | . | * | trans | -129.4 | 135.9 | 178.1 | -76.1 | 161.4 | 0 | 0 | 0 | 110.9 | L53 | L53-L85 HydrophobicContact CD1-CD1 3.85Å; L53-L85 HydrophobicContact CD2-CD1 4.37Å; L53-L85 HydrophobicContact CG-CD1 3.78Å | ||
| 86 | H | 28.9 | Very low | 33.1 | Very low | 188 Ų | 188 | 144 Ų | 144 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | trans | -99.4 | 141.8 | 175.6 | -100.2 | -117.4 | 0 | 0 | 0 | 110 | ||||
| 87 | F | 31.4 | Very low | 33 | Very low | 78 Ų | 78 | 143 Ų | 143 | 34% | 0.342 | 71% | 0.707 | S | S | . | * | trans | -101.8 | 125.8 | -180 | -70.4 | -94.2 | 0 | 0 | 0 | 111.3 | L53 Q54 | L53-F87 HydrophobicContact CB-CE1 3.6Å; L53-F87 HydrophobicContact CB-CZ 3.37Å; L53-F87 HydrophobicContact CD2-CD1 4.47Å; L53-F87 HydrophobicContact CD2-CE1 3.55Å; L53-F87 HydrophobicContact CD2-CZ 3.55Å; L53-F87 HydrophobicContact CG-CE1 4.04Å; L53-F87 HydrophobicContact CG-CZ 3.7Å; L53-F87 WeakPolarHBondContact O-CE1 3.18Å; L53-F87 WeakPolarHBondContact O-CZ 3.33Å; Q54-F87 HydrophobicContact CB-CE2 4.21Å; Q54-F87 HydrophobicContact CB-CZ 4.19Å; Q54-F87 HydrophobicContact CG-CD1 4.45Å; Q54-F87 HydrophobicContact CG-CD2 3.63Å; Q54-F87 HydrophobicContact CG-CE1 3.91Å; Q54-F87 HydrophobicContact CG-CE2 3.03Å; Q54-F87 HydrophobicContact CG-CG 4.35Å; Q54-F87 HydrophobicContact CG-CZ 3.23Å | ||
| 88 | M | 30.3 | Very low | 32.8 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 95% | 0.946 | 73% | 0.729 | S | S | * | * | trans | -106.2 | 117.9 | 155.6 | -69 | -158.9 | 79.2 | 0 | 0 | 107.8 | ||||
| 89 | W | 25.6 | Very low | 32.7 | Very low | 227 Ų | 227 | 149.8 Ų | 149.8 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -70.4 | 132.5 | 176.8 | -85.3 | 37.6 | 0 | 0 | 0 | 110.5 | ||||
| 90 | T | 27.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 150.3 Ų | 150.3 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | 179.4 | 140.2 | 138.7 | 26.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 91 | V | 31.7 | Very low | 33 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | trans | 93.4 | 108.4 | 171.5 | -162.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 92 | Y | 28.3 | Very low | 33.3 | Very low | 213 Ų | 213 | 148.2 Ų | 148.2 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | -62.7 | 112.5 | 176.2 | -162.6 | -95.5 | 0 | 0 | 0 | 111.3 | ||||
| 93 | I | 35.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 143 Ų | 143 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | trans | -141.2 | 115.7 | 167.6 | -52.5 | 179.2 | 0 | 0 | 0 | 107.4 | I95 | I93-I95 HydrophobicContact CG2-CG1 4.2Å; I93-I95 PolarHBondContact O-N 2.89Å; I93-I95 VanDerWaalsContact O-N 3.13Å | ||
| 94 | D | 31.7 | Very low | 34.2 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | -54.4 | 108.3 | 168.1 | -92.9 | -51.9 | 0 | 0 | 0 | 109.4 | ||||
| 95 | I | 36.8 | Very low | 34.9 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | trans | -119.5 | 106 | 170.5 | -55.5 | 175.9 | 0 | 0 | 0 | 106.6 | I93 A97 | I93-I95 HydrophobicContact CG2-CG1 4.2Å; I93-I95 PolarHBondContact O-N 2.89Å; I93-I95 VanDerWaalsContact O-N 3.13Å; I95-A97 PolarHBondContact O-N 3.1Å | ||
| 96 | E | 33.3 | Very low | 35.9 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -46.7 | 101.1 | 175.6 | -67 | 178.9 | 158.1 | 0 | 0 | 110.8 | Y98 | E96-Y98 HydrophobicContact CB-CD2 4.29Å; E96-Y98 HydrophobicContact CB-CE2 4.33Å; E96-Y98 PolarHBondContact O-N 3.24Å | ||
| 97 | A | 34.3 | Very low | 37.1 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | trans | -76.9 | 87.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109 | I95 L99 | I95-A97 PolarHBondContact O-N 3.1Å; A97-L99 HydrophobicContact CB-CD1 4.08Å; A97-L99 WeakPolarHBondContact O-CD1 3.46Å; A97-L99 PolarHBondContact O-N 3.26Å | ||
| 98 | Y | 33.8 | Very low | 38.2 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 83% | 0.831 | 71% | 0.709 | S | S | * | * | trans | -72.8 | 88 | 161.2 | -84.4 | -91.4 | 0 | 0 | 0 | 108.1 | E96 | E96-Y98 HydrophobicContact CB-CD2 4.29Å; E96-Y98 HydrophobicContact CB-CE2 4.33Å; E96-Y98 PolarHBondContact O-N 3.24Å | ||
| 99 | L | 36.4 | Very low | 39.5 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 49% | 0.492 | 69% | 0.694 | S | S | . | * | trans | -55 | 137 | 178.5 | -89 | 89.1 | 0 | 0 | 0 | 111 | A97 D101 K104 | A97-L99 HydrophobicContact CB-CD1 4.08Å; A97-L99 WeakPolarHBondContact O-CD1 3.46Å; A97-L99 PolarHBondContact O-N 3.26Å; L99-D101 PolarHBondContact O-N 3.34Å; L99-K104 HydrophobicContact CD2-CD 4.4Å | ||
| 100 | C | 36.3 | Very low | 41.1 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 75% | 0.75 | 68% | 0.676 | S | S | * | * | trans | -59.7 | 69.8 | 149.1 | -90.8 | 0 | 0 | 0 | 0 | 109.9 | R102 S103 | C100-R102 PolarHBondContact O-N 3.03Å; C100-S103 PolarHBondContact O-N 3.41Å; C100-S103 VanDerWaalsContact O-N 3.16Å | ||
| 101 | D | 40.3 | Very low | 42.5 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 60% | 0.604 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.2 | -27.6 | 180 | -108 | -29.9 | 0 | 0 | 0 | 111.7 | L99 S103 | L99-D101 PolarHBondContact O-N 3.34Å; D101-S103 VanDerWaalsContact C-N 3.33Å; D101-S103 PolarHBondContact O-N 2.98Å |
| 102 | R | 41.7 | Very low | 43.8 | Very low | 219 Ų | 219 | 125.2 Ų | 125.2 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.5 | -18.1 | 178.1 | -84.9 | -165.3 | 171.8 | 161.8 | 0.5 | 115.8 | C100 | C100-R102 PolarHBondContact O-N 3.03Å |
| 103 | S | 46.9 | Very low | 45.5 | Very low | 85 Ų | 85 | 122.2 Ų | 122.2 | 59% | 0.594 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -98 | -15.8 | -176.9 | -158 | 0 | 0 | 0 | 0 | 113.8 | C100 D101 | C100-S103 PolarHBondContact O-N 3.41Å; C100-S103 VanDerWaalsContact O-N 3.16Å; D101-S103 VanDerWaalsContact C-N 3.33Å; D101-S103 PolarHBondContact O-N 2.98Å |
| 104 | K | 42.7 | Very low | 46.7 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.9 | -37.8 | 175 | -120.1 | -179.3 | 179.4 | 179.2 | 0 | 111.4 | L99 I106 L108 | L99-K104 HydrophobicContact CD2-CD 4.4Å; K104-I106 PolarHBondContact O-N 3.28Å; K104-L108 WeakPolarHBondContact O-CB 3.31Å; K104-L108 PolarHBondContact O-N 2.74Å; K104-L108 VanDerWaalsContact O-N 3.09Å |
| 105 | E | 45.7 | Very low | 48.1 | Very low | 131 Ų | 131 | 114.8 Ų | 114.8 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.9 | -40.9 | 179.6 | -65.8 | -172.6 | 153 | 0 | 0 | 112.1 | L108 L109 | E105-L108 PolarHBondContact O-N 3.43Å; E105-L109 VanDerWaalsContact O-CB 3.26Å; E105-L109 WeakPolarHBondContact O-CB 3.38Å; E105-L109 VanDerWaalsContact O-CD1 3.28Å; E105-L109 WeakPolarHBondContact O-CD1 3.32Å; E105-L109 PolarHBondContact O-N 3.38Å |
| 106 | I | 55.9 | Low | 49.6 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 62% | 0.621 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.8 | -38.5 | -176.6 | -54.8 | 171.3 | 0 | 0 | 0 | 111.3 | K104 A110 | K104-I106 PolarHBondContact O-N 3.28Å; I106-A110 VanDerWaalsContact O-CB 3.26Å; I106-A110 WeakPolarHBondContact O-CB 3.35Å; I106-A110 PolarHBondContact O-N 2.98Å |
| 107 | G | 53.6 | Low | 51.7 | Low | 42 Ų | 42 | 107.7 Ų | 107.7 | 43% | 0.433 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A110 S111 | G107-A110 PolarHBondContact O-N 3Å; G107-S111 PolarHBondContact O-N 3Å |
| 108 | L | 53.2 | Low | 53.8 | Low | 117 Ų | 117 | 110.1 Ų | 110.1 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.5 | -42.4 | 177.3 | -155.5 | 97.4 | 0 | 0 | 0 | 111.2 | K104 E105 A110 S111 L112 | K104-L108 WeakPolarHBondContact O-CB 3.31Å; K104-L108 PolarHBondContact O-N 2.74Å; K104-L108 VanDerWaalsContact O-N 3.09Å; E105-L108 PolarHBondContact O-N 3.43Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 3.34Å; L108-S111 PolarHBondContact O-N 3.04Å; L108-L112 HydrophobicContact CD2-CD1 3.58Å; L108-L112 HydrophobicContact CG-CD1 3.88Å; L108-L112 HydrophobicContact CG-CG 4.45Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CD1 3.29Å; L108-L112 VanDerWaalsContact O-CG 3.24Å; L108-L112 WeakPolarHBondContact O-CG 3.12Å; L108-L112 PolarHBondContact O-N 2.79Å |
| 109 | L | 58.8 | Low | 56 | Low | 117 Ų | 117 | 102.9 Ų | 102.9 | 61% | 0.613 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -38.4 | 173.6 | -102.5 | 101.7 | 0 | 0 | 0 | 111.8 | E105 K113 | E105-L109 VanDerWaalsContact O-CB 3.26Å; E105-L109 WeakPolarHBondContact O-CB 3.38Å; E105-L109 VanDerWaalsContact O-CD1 3.28Å; E105-L109 WeakPolarHBondContact O-CD1 3.32Å; E105-L109 PolarHBondContact O-N 3.38Å; L109-K113 WeakPolarHBondContact O-CA 3.48Å; L109-K113 WeakPolarHBondContact O-CB 3.48Å; L109-K113 PolarHBondContact O-N 3.46Å |
| 110 | A | 59.1 | Low | 58.3 | Low | 59 Ų | 59 | 101.4 Ų | 101.4 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I106 G107 L108 S114 | I106-A110 VanDerWaalsContact O-CB 3.26Å; I106-A110 WeakPolarHBondContact O-CB 3.35Å; I106-A110 PolarHBondContact O-N 2.98Å; G107-A110 PolarHBondContact O-N 3Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 3.34Å; A110-S114 PolarHBondContact O-N 3.4Å; A110-S114 VanDerWaalsContact O-N 3.12Å; A110-S114 PolarHBondContact O-OG 3.24Å |
| 111 | S | 56.3 | Low | 60.7 | Low | 81 Ų | 81 | 98 Ų | 98 | 57% | 0.566 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70 | -39.8 | 173.8 | -79 | 0 | 0 | 0 | 0 | 112.8 | G107 L108 S114 A115 | G107-S111 PolarHBondContact O-N 3Å; L108-S111 PolarHBondContact O-N 3.04Å; S111-S114 WeakPolarHBondContact CA-OG 3.37Å; S111-S114 PolarHBondContact O-N 3.02Å; S111-S114 PolarHBondContact O-OG 3.48Å; S111-S114 VanDerWaalsContact O-OG 3.13Å; S111-A115 WeakPolarHBondContact O-CB 3.32Å; S111-A115 PolarHBondContact O-N 3.15Å |
| 112 | L | 59 | Low | 63.1 | Low | 102 Ų | 102 | 99.5 Ų | 99.5 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -38 | 174.3 | -77.5 | 163.1 | 0 | 0 | 0 | 111.3 | L108 A115 S116 | L108-L112 HydrophobicContact CD2-CD1 3.58Å; L108-L112 HydrophobicContact CG-CD1 3.88Å; L108-L112 HydrophobicContact CG-CG 4.45Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CD1 3.29Å; L108-L112 VanDerWaalsContact O-CG 3.24Å; L108-L112 WeakPolarHBondContact O-CG 3.12Å; L108-L112 PolarHBondContact O-N 2.79Å; L112-A115 PolarHBondContact O-N 3.48Å; L112-S116 WeakPolarHBondContact O-CB 3.24Å; L112-S116 PolarHBondContact O-N 3.47Å |
| 113 | K | 65.1 | Low | 65.5 | Low | 151 Ų | 151 | 94.4 Ų | 94.4 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 177.8 | -172.9 | 171.2 | -178.1 | 70.7 | 0 | 111.2 | L109 S116 T117 | L109-K113 WeakPolarHBondContact O-CA 3.48Å; L109-K113 WeakPolarHBondContact O-CB 3.48Å; L109-K113 PolarHBondContact O-N 3.46Å; K113-S116 PolarHBondContact O-N 3.01Å; K113-T117 VanDerWaalsContact O-CG2 3.32Å; K113-T117 WeakPolarHBondContact O-CG2 3.21Å; K113-T117 PolarHBondContact O-N 2.86Å; K113-T117 PolarHBondContact O-OG1 3.03Å |
| 114 | S | 60.3 | Low | 67.6 | Low | 64 Ų | 64 | 95.9 Ų | 95.9 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 177.5 | 34.8 | 0 | 0 | 0 | 0 | 112.7 | A110 S111 T117 I118 | A110-S114 PolarHBondContact O-N 3.4Å; A110-S114 VanDerWaalsContact O-N 3.12Å; A110-S114 PolarHBondContact O-OG 3.24Å; S111-S114 WeakPolarHBondContact CA-OG 3.37Å; S111-S114 PolarHBondContact O-N 3.02Å; S111-S114 PolarHBondContact O-OG 3.48Å; S111-S114 VanDerWaalsContact O-OG 3.13Å; S114-T117 WeakPolarHBondContact CA-OG1 3.47Å; S114-T117 PolarHBondContact O-OG1 3.02Å; S114-I118 WeakPolarHBondContact O-CD1 3.43Å; S114-I118 WeakPolarHBondContact O-CG1 3.07Å; S114-I118 PolarHBondContact O-N 3.18Å |
| 115 | A | 61.2 | Low | 70 | Confident | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | S111 L112 I118 S119 | S111-A115 WeakPolarHBondContact O-CB 3.32Å; S111-A115 PolarHBondContact O-N 3.15Å; L112-A115 PolarHBondContact O-N 3.48Å; A115-I118 PolarHBondContact O-N 3.45Å; A115-S119 PolarHBondContact O-N 3.49Å; A115-S119 VanDerWaalsContact O-N 3.15Å; A115-S119 PolarHBondContact O-OG 2.97Å |
| 116 | S | 68.9 | Low | 72.2 | Confident | 70 Ų | 70 | 88.3 Ų | 88.3 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 178.4 | 178.7 | 0 | 0 | 0 | 0 | 112 | L112 K113 I118 S119 C120 | L112-S116 WeakPolarHBondContact O-CB 3.24Å; L112-S116 PolarHBondContact O-N 3.47Å; K113-S116 PolarHBondContact O-N 3.01Å; S116-I118 VanDerWaalsContact C-N 3.34Å; S116-I118 PolarHBondContact O-N 3.3Å; S116-S119 WeakPolarHBondContact CA-OG 3.45Å; S116-S119 PolarHBondContact O-N 2.76Å; S116-S119 PolarHBondContact O-OG 3.33Å; S116-C120 WeakPolarHBondContact O-CB 3.39Å; S116-C120 PolarHBondContact O-N 3.16Å |
| 117 | T | 77 | Confident | 74 | Confident | 85 Ų | 85 | 86.2 Ų | 86.2 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 176.8 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | K113 S114 G121 | K113-T117 VanDerWaalsContact O-CG2 3.32Å; K113-T117 WeakPolarHBondContact O-CG2 3.21Å; K113-T117 PolarHBondContact O-N 2.86Å; K113-T117 PolarHBondContact O-OG1 3.03Å; S114-T117 WeakPolarHBondContact CA-OG1 3.47Å; S114-T117 PolarHBondContact O-OG1 3.02Å; T117-G121 PolarHBondContact O-N 3.48Å |
| 118 | I | 77.6 | Confident | 75.9 | Confident | 131 Ų | 131 | 86.6 Ų | 86.6 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.9 | -46.3 | 178.8 | -65.1 | 166.1 | 0 | 0 | 0 | 110.3 | S114 A115 S116 G121 F122 | S114-I118 WeakPolarHBondContact O-CD1 3.43Å; S114-I118 WeakPolarHBondContact O-CG1 3.07Å; S114-I118 PolarHBondContact O-N 3.18Å; A115-I118 PolarHBondContact O-N 3.45Å; S116-I118 VanDerWaalsContact C-N 3.34Å; S116-I118 PolarHBondContact O-N 3.3Å; I118-G121 PolarHBondContact O-N 3.03Å; I118-F122 PolarHBondContact O-N 3.34Å |
| 119 | S | 81.1 | Confident | 77.8 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.8 | 52 | 0 | 0 | 0 | 0 | 112.5 | A115 S116 F122 I123 | A115-S119 PolarHBondContact O-N 3.49Å; A115-S119 VanDerWaalsContact O-N 3.15Å; A115-S119 PolarHBondContact O-OG 2.97Å; S116-S119 WeakPolarHBondContact CA-OG 3.45Å; S116-S119 PolarHBondContact O-N 2.76Å; S116-S119 PolarHBondContact O-OG 3.33Å; S119-F122 PolarHBondContact O-N 2.76Å; S119-I123 WeakPolarHBondContact O-CG1 3.28Å; S119-I123 PolarHBondContact O-N 2.76Å |
| 120 | C | 84.7 | Confident | 79.4 | Confident | 63 Ų | 63 | 82.6 Ų | 82.6 | 43% | 0.426 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.6 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | S116 F122 I123 L124 | S116-C120 WeakPolarHBondContact O-CB 3.39Å; S116-C120 PolarHBondContact O-N 3.16Å; C120-F122 VanDerWaalsContact C-N 3.33Å; C120-F122 PolarHBondContact O-N 3.09Å; C120-I123 PolarHBondContact O-N 2.82Å; C120-L124 WeakPolarHBondContact O-CB 3.26Å; C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.32Å; C120-L124 PolarHBondContact O-N 3.12Å |
| 121 | G | 86.8 | Confident | 80.9 | Confident | 40 Ų | 40 | 83.7 Ų | 83.7 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | T117 I118 A125 | T117-G121 PolarHBondContact O-N 3.48Å; I118-G121 PolarHBondContact O-N 3.03Å; G121-A125 WeakPolarHBondContact O-CB 3.47Å; G121-A125 PolarHBondContact O-N 2.97Å |
| 122 | F | 90.3 | Very high | 82.6 | Confident | 144 Ų | 144 | 85.1 Ų | 85.1 | 63% | 0.632 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -47.1 | 177.1 | -175.9 | -98 | 0 | 0 | 0 | 112.4 | I118 S119 C120 L124 A125 V126 | I118-F122 PolarHBondContact O-N 3.34Å; S119-F122 PolarHBondContact O-N 2.76Å; C120-F122 VanDerWaalsContact C-N 3.33Å; C120-F122 PolarHBondContact O-N 3.09Å; F122-L124 VanDerWaalsContact C-N 3.33Å; F122-L124 PolarHBondContact O-N 3.46Å; F122-A125 PolarHBondContact O-N 3.05Å; F122-V126 HydrophobicContact CD1-CG2 4.22Å; F122-V126 HydrophobicContact CE1-CG2 3.82Å; F122-V126 HydrophobicContact CE2-CG2 4.43Å; F122-V126 HydrophobicContact CZ-CG2 3.93Å; F122-V126 WeakPolarHBondContact O-CG2 3.44Å; F122-V126 PolarHBondContact O-N 3.13Å |
| 123 | I | 91.2 | Very high | 84.1 | Confident | 112 Ų | 112 | 84.5 Ų | 84.5 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 179.3 | -66.2 | 167 | 0 | 0 | 0 | 110.6 | S119 C120 A125 V126 C127 | S119-I123 WeakPolarHBondContact O-CG1 3.28Å; S119-I123 PolarHBondContact O-N 2.76Å; C120-I123 PolarHBondContact O-N 2.82Å; I123-A125 PolarHBondContact O-N 3.37Å; I123-V126 PolarHBondContact O-N 2.74Å; I123-C127 WeakPolarHBondContact O-CB 3.49Å; I123-C127 PolarHBondContact O-N 3.45Å |
| 124 | L | 92 | Very high | 85.2 | Confident | 116 Ų | 116 | 82.7 Ų | 82.7 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 177.1 | -70.9 | 172.4 | 0 | 0 | 0 | 112.1 | C120 F122 C127 A128 | C120-L124 WeakPolarHBondContact O-CB 3.26Å; C120-L124 VanDerWaalsContact O-CG 3.29Å; C120-L124 WeakPolarHBondContact O-CG 3.32Å; C120-L124 PolarHBondContact O-N 3.12Å; F122-L124 VanDerWaalsContact C-N 3.33Å; F122-L124 PolarHBondContact O-N 3.46Å; L124-C127 PolarHBondContact O-N 3.02Å; L124-A128 WeakPolarHBondContact O-CB 3.05Å; L124-A128 PolarHBondContact O-N 3.47Å |
| 125 | A | 91.4 | Very high | 86.4 | Confident | 55 Ų | 55 | 85 Ų | 85 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G121 F122 I123 C127 A128 V129 | G121-A125 WeakPolarHBondContact O-CB 3.47Å; G121-A125 PolarHBondContact O-N 2.97Å; F122-A125 PolarHBondContact O-N 3.05Å; I123-A125 PolarHBondContact O-N 3.37Å; A125-C127 PolarHBondContact O-N 2.96Å; A125-A128 PolarHBondContact O-N 2.91Å; A125-V129 WeakPolarHBondContact O-CG2 3.43Å; A125-V129 PolarHBondContact O-N 3.13Å; A125-V129 VanDerWaalsContact O-N 3.1Å |
| 126 | V | 93.8 | Very high | 87.6 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | F122 I123 A128 V129 C130 | F122-V126 HydrophobicContact CD1-CG2 4.22Å; F122-V126 HydrophobicContact CE1-CG2 3.82Å; F122-V126 HydrophobicContact CE2-CG2 4.43Å; F122-V126 HydrophobicContact CZ-CG2 3.93Å; F122-V126 WeakPolarHBondContact O-CG2 3.44Å; F122-V126 PolarHBondContact O-N 3.13Å; I123-V126 PolarHBondContact O-N 2.74Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 3Å; V126-V129 PolarHBondContact O-N 3.07Å; V126-C130 WeakPolarHBondContact O-CB 3.49Å; V126-C130 PolarHBondContact O-N 3.2Å; V126-C130 PolarHBondContact O-SG 3.21Å |
| 127 | C | 92.8 | Very high | 88.2 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 178.5 | -136 | 0 | 0 | 0 | 0 | 112 | I123 L124 A125 C130 T131 | I123-C127 WeakPolarHBondContact O-CB 3.49Å; I123-C127 PolarHBondContact O-N 3.45Å; L124-C127 PolarHBondContact O-N 3.02Å; A125-C127 PolarHBondContact O-N 2.96Å; C127-C130 PolarHBondContact O-N 3.23Å; C127-T131 WeakPolarHBondContact O-CG2 3.26Å; C127-T131 PolarHBondContact O-N 3.5Å; C127-T131 PolarHBondContact O-OG1 2.96Å; C127-T131 VanDerWaalsContact O-OG1 3.07Å |
| 128 | A | 93.9 | Very high | 88.4 | Confident | 51 Ų | 51 | 86.5 Ų | 86.5 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L124 A125 V126 T131 I132 | L124-A128 WeakPolarHBondContact O-CB 3.05Å; L124-A128 PolarHBondContact O-N 3.47Å; A125-A128 PolarHBondContact O-N 2.91Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 3Å; A128-T131 PolarHBondContact O-OG1 3.09Å; A128-I132 WeakPolarHBondContact O-CD1 3.5Å; A128-I132 VanDerWaalsContact O-CG1 3.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 2.93Å |
| 129 | V | 92.7 | Very high | 88.1 | Confident | 91 Ų | 91 | 88.6 Ų | 88.6 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -45.2 | 176.6 | 177 | 0 | 0 | 0 | 0 | 111.2 | A125 V126 T131 I132 V133 | A125-V129 WeakPolarHBondContact O-CG2 3.43Å; A125-V129 PolarHBondContact O-N 3.13Å; A125-V129 VanDerWaalsContact O-N 3.1Å; V126-V129 PolarHBondContact O-N 3.07Å; V129-T131 PolarHBondContact O-N 2.83Å; V129-I132 PolarHBondContact O-N 2.91Å; V129-V133 HydrophobicContact CG1-CG2 4.36Å; V129-V133 WeakPolarHBondContact O-CG2 3.4Å; V129-V133 PolarHBondContact O-N 3.48Å |
| 130 | C | 92.2 | Very high | 87.7 | Confident | 59 Ų | 59 | 90 Ų | 90 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 179.3 | -71.2 | 0 | 0 | 0 | 0 | 112.1 | V126 C127 I132 V133 I134 | V126-C130 WeakPolarHBondContact O-CB 3.49Å; V126-C130 PolarHBondContact O-N 3.2Å; V126-C130 PolarHBondContact O-SG 3.21Å; C127-C130 PolarHBondContact O-N 3.23Å; C130-I132 PolarHBondContact O-N 2.96Å; C130-V133 PolarHBondContact O-N 3.33Å; C130-I134 HydrophobicContact CB-CD1 4.49Å; C130-I134 WeakPolarHBondContact O-CB 3.38Å; C130-I134 WeakPolarHBondContact O-CD1 3.08Å; C130-I134 WeakPolarHBondContact O-CG1 3.45Å; C130-I134 PolarHBondContact O-N 2.92Å |
| 131 | T | 91.5 | Very high | 86.5 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 178.2 | 51 | 0 | 0 | 0 | 0 | 112.2 | C127 A128 V129 H135 | C127-T131 WeakPolarHBondContact O-CG2 3.26Å; C127-T131 PolarHBondContact O-N 3.5Å; C127-T131 PolarHBondContact O-OG1 2.96Å; C127-T131 VanDerWaalsContact O-OG1 3.07Å; A128-T131 PolarHBondContact O-OG1 3.09Å; V129-T131 PolarHBondContact O-N 2.83Å; T131-H135 WeakPolarHBondContact O-CB 3.08Å; T131-H135 PolarHBondContact O-N 2.97Å |
| 132 | I | 91.7 | Very high | 85.1 | Confident | 110 Ų | 110 | 100.9 Ų | 100.9 | 56% | 0.564 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -46.4 | 175.8 | -65.1 | 165.7 | 0 | 0 | 0 | 111 | A128 V129 C130 H135 S136 | A128-I132 WeakPolarHBondContact O-CD1 3.5Å; A128-I132 VanDerWaalsContact O-CG1 3.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 2.93Å; V129-I132 PolarHBondContact O-N 2.91Å; C130-I132 PolarHBondContact O-N 2.96Å; I132-H135 PolarHBondContact O-N 3.42Å; I132-S136 VanDerWaalsContact O-CB 3.31Å; I132-S136 WeakPolarHBondContact O-CB 3.45Å; I132-S136 PolarHBondContact O-N 3.45Å; I132-S136 PolarHBondContact O-OG 3.16Å |
| 133 | V | 90.7 | Very high | 83.3 | Confident | 89 Ų | 89 | 99 Ų | 99 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 111 | V129 C130 H135 S136 A137 | V129-V133 HydrophobicContact CG1-CG2 4.36Å; V129-V133 WeakPolarHBondContact O-CG2 3.4Å; V129-V133 PolarHBondContact O-N 3.48Å; C130-V133 PolarHBondContact O-N 3.33Å; V133-H135 VanDerWaalsContact C-N 3.34Å; V133-H135 PolarHBondContact O-N 3.27Å; V133-S136 PolarHBondContact O-N 3.27Å; V133-A137 WeakPolarHBondContact O-CB 3.3Å; V133-A137 PolarHBondContact O-N 3.11Å |
| 134 | I | 88.4 | Confident | 81.6 | Confident | 113 Ų | 113 | 97.7 Ų | 97.7 | 58% | 0.579 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | 177.4 | -68.7 | 166 | 0 | 0 | 0 | 110.3 | C130 S136 A137 K138 | C130-I134 HydrophobicContact CB-CD1 4.49Å; C130-I134 WeakPolarHBondContact O-CB 3.38Å; C130-I134 WeakPolarHBondContact O-CD1 3.08Å; C130-I134 WeakPolarHBondContact O-CG1 3.45Å; C130-I134 PolarHBondContact O-N 2.92Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 2.88Å; I134-A137 PolarHBondContact O-N 3.5Å; I134-K138 VanDerWaalsContact O-CB 3.23Å; I134-K138 WeakPolarHBondContact O-CB 3.05Å; I134-K138 PolarHBondContact O-N 3.36Å |
| 135 | H | 85.3 | Confident | 79.7 | Confident | 113 Ų | 113 | 101.3 Ų | 101.3 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.9 | -34.1 | -179.9 | -157.1 | -56 | 0 | 0 | 0 | 112 | T131 I132 V133 R139 | T131-H135 WeakPolarHBondContact O-CB 3.08Å; T131-H135 PolarHBondContact O-N 2.97Å; I132-H135 PolarHBondContact O-N 3.42Å; V133-H135 VanDerWaalsContact C-N 3.34Å; V133-H135 PolarHBondContact O-N 3.27Å; H135-R139 PolarHBondContact O-N 3.05Å |
| 136 | S | 85.1 | Confident | 77.8 | Confident | 66 Ų | 66 | 106.1 Ų | 106.1 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.8 | -45.6 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | I132 V133 I134 R139 T140 | I132-S136 VanDerWaalsContact O-CB 3.31Å; I132-S136 WeakPolarHBondContact O-CB 3.45Å; I132-S136 PolarHBondContact O-N 3.45Å; I132-S136 PolarHBondContact O-OG 3.16Å; V133-S136 PolarHBondContact O-N 3.27Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 2.88Å; S136-R139 PolarHBondContact O-N 3.28Å; S136-T140 PolarHBondContact O-N 3Å; S136-T140 PolarHBondContact O-OG1 3.41Å |
| 137 | A | 82.9 | Confident | 75.9 | Confident | 37 Ų | 37 | 107 Ų | 107 | 31% | 0.306 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.7 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V133 I134 R139 T140 W141 | V133-A137 WeakPolarHBondContact O-CB 3.3Å; V133-A137 PolarHBondContact O-N 3.11Å; I134-A137 PolarHBondContact O-N 3.5Å; A137-R139 PolarHBondContact O-N 3.21Å; A137-T140 WeakPolarHBondContact CA-OG1 3.24Å; A137-T140 PolarHBondContact O-N 3.46Å; A137-T140 PolarHBondContact O-OG1 3.28Å; A137-W141 WeakPolarHBondContact O-CB 3.5Å; A137-W141 PolarHBondContact O-N 3.18Å |
| 138 | K | 80.6 | Confident | 74 | Confident | 144 Ų | 144 | 113.4 Ų | 113.4 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.5 | -38 | 176.3 | -173 | 174.8 | -179.9 | 177 | 0 | 111.3 | I134 F142 | I134-K138 VanDerWaalsContact O-CB 3.23Å; I134-K138 WeakPolarHBondContact O-CB 3.05Å; I134-K138 PolarHBondContact O-N 3.36Å; K138-F142 WeakPolarHBondContact O-CB 3.48Å; K138-F142 PolarHBondContact O-N 3.29Å |
| 139 | R | 71.2 | Confident | 72 | Confident | 175 Ų | 175 | 119.7 Ų | 119.7 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.2 | -51.8 | 173.4 | -76.7 | -168.9 | -179.9 | -179.8 | 3.4 | 111.4 | H135 S136 A137 W141 F142 T143 | H135-R139 PolarHBondContact O-N 3.05Å; S136-R139 PolarHBondContact O-N 3.28Å; A137-R139 PolarHBondContact O-N 3.21Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.36Å; R139-F142 PolarHBondContact O-N 3.45Å; R139-F142 VanDerWaalsContact O-N 3.16Å; R139-T143 PolarHBondContact O-N 3.14Å; R139-T143 PolarHBondContact O-OG1 3.28Å |
| 140 | T | 72.9 | Confident | 69.7 | Low | 89 Ų | 89 | 121.5 Ų | 121.5 | 55% | 0.546 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.8 | -37.9 | -176.9 | 55.2 | 0 | 0 | 0 | 0 | 113 | S136 A137 A144 | S136-T140 PolarHBondContact O-N 3Å; S136-T140 PolarHBondContact O-OG1 3.41Å; A137-T140 WeakPolarHBondContact CA-OG1 3.24Å; A137-T140 PolarHBondContact O-N 3.46Å; A137-T140 PolarHBondContact O-OG1 3.28Å; T140-A144 WeakPolarHBondContact O-CB 3.33Å; T140-A144 PolarHBondContact O-N 3.03Å |
| 141 | W | 60 | Low | 67.7 | Low | 181 Ų | 181 | 127.4 Ų | 127.4 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.7 | -29.5 | 178.3 | -75.5 | 71.1 | 0 | 0 | 0 | 113.5 | A137 R139 | A137-W141 WeakPolarHBondContact O-CB 3.5Å; A137-W141 PolarHBondContact O-N 3.18Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.36Å |
| 142 | F | 56.4 | Low | 65.6 | Low | 149 Ų | 149 | 134.2 Ų | 134.2 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.3 | -37.1 | 176.1 | -129.7 | -90.6 | 0 | 0 | 0 | 111.9 | K138 R139 A144 R145 | K138-F142 WeakPolarHBondContact O-CB 3.48Å; K138-F142 PolarHBondContact O-N 3.29Å; R139-F142 PolarHBondContact O-N 3.45Å; R139-F142 VanDerWaalsContact O-N 3.16Å; F142-A144 VanDerWaalsContact C-N 3.34Å; F142-R145 PolarHBondContact O-N 3.37Å |
| 143 | T | 53.4 | Low | 64.3 | Low | 104 Ų | 104 | 135.4 Ų | 135.4 | 64% | 0.638 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70 | -31.9 | 175.8 | -21.3 | 0 | 0 | 0 | 0 | 112.1 | R139 R145 | R139-T143 PolarHBondContact O-N 3.14Å; R139-T143 PolarHBondContact O-OG1 3.28Å; T143-R145 PolarHBondContact O-N 3.24Å |
| 144 | A | 54.1 | Low | 63 | Low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -12.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T140 F142 | T140-A144 WeakPolarHBondContact O-CB 3.33Å; T140-A144 PolarHBondContact O-N 3.03Å; F142-A144 VanDerWaalsContact C-N 3.34Å |
| 145 | R | 53.1 | Low | 61.5 | Low | 191 Ų | 191 | 139.2 Ų | 139.2 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 8.7 | -179.2 | -79.1 | -167.4 | -177.1 | 167.3 | 2.1 | 115 | F142 T143 P147 | F142-R145 PolarHBondContact O-N 3.37Å; T143-R145 PolarHBondContact O-N 3.24Å; R145-P147 WeakPolarHBondContact O-CD 3.29Å |
| 146 | Q | 50.4 | Low | 60.1 | Low | 157 Ų | 157 | 140.8 Ų | 140.8 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | -96.2 | 87.6 | 166.1 | -72.4 | -169.5 | -16.9 | 0 | 0 | 109.3 | Y148 | Q146-Y148 PolarHBondContact O-N 3.47Š| ||
| 147 | P | 54.5 | Low | 58.6 | Low | 83 Ų | 83 | 145.4 Ų | 145.4 | 54% | 0.539 | 72% | 0.719 | S | S | . | * | trans | -65.8 | 117.2 | 163.3 | 30.3 | -31.4 | 0 | 0 | 0 | 106.7 | R145 M149 | R145-P147 WeakPolarHBondContact O-CD 3.29Å; P147-M149 PolarHBondContact O-N 3.46Å | ||
| 148 | Y | 53.1 | Low | 57 | Low | 212 Ų | 212 | 152.7 Ų | 152.7 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | 10.6 | 82.7 | 144.1 | 4.6 | -88.6 | 0 | 0 | 0 | 113 | Q146 T150 | Q146-Y148 PolarHBondContact O-N 3.47Å; Y148-T150 VanDerWaalsContact C-N 3.28Å; Y148-T150 PolarHBondContact O-N 3.36Å | ||
| 149 | M | 51.6 | Low | 55.3 | Low | 182 Ų | 182 | 153.3 Ų | 153.3 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -70.9 | 102.1 | 154.9 | -89 | -158.6 | 161.2 | 0 | 0 | 105.5 | P147 L151 | P147-M149 PolarHBondContact O-N 3.46Å; M149-L151 PolarHBondContact O-N 3.18Å | ||
| 150 | T | 45.1 | Very low | 54 | Low | 129 Ų | 129 | 151.6 Ų | 151.6 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -31.3 | 113.2 | 165.3 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | Y148 N152 | Y148-T150 VanDerWaalsContact C-N 3.28Å; Y148-T150 PolarHBondContact O-N 3.36Å; T150-N152 PolarHBondContact O-N 3.12Å | ||
| 151 | L | 49.2 | Very low | 52.5 | Low | 183 Ų | 183 | 156.8 Ų | 156.8 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 108 | 154.8 | -133.1 | 88.2 | 0 | 0 | 0 | 106.3 | M149 | M149-L151 PolarHBondContact O-N 3.18Š| ||
| 152 | N | 48.9 | Very low | 51.8 | Low | 225 Ų | 225 | 154.6 Ų | 154.6 | 100% | 1.203 | 79% | 0.789 | S | S | * | * | trans | -128.7 | 0 | 160.2 | -171.4 | 68.8 | 0 | 0 | 0 | 107.8 | T150 | T150-N152 PolarHBondContact O-N 3.12Š|
Retrieved 152 of 152 residues in 87.7 ms
(Link to these results)