| 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 | 46 | Very low | 43.7 | Very low | 238 Ų | 238 | 142.9 Ų | 142.9 | 100% | 1.172 | 78% | 0.783 | S | S | * | * | 0 | 92.1 | 0 | -73 | 171.3 | 155.5 | 0 | 0 | 107.6 | |||||
| 2 | F | 42.7 | Very low | 44 | Very low | 209 Ų | 209 | 140 Ų | 140 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -103.2 | 113.8 | 178.8 | -74.1 | -79.4 | 0 | 0 | 0 | 108.1 | ||||
| 3 | S | 45.1 | Very low | 43.8 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -67.5 | 125.3 | 175.2 | -167.7 | 0 | 0 | 0 | 0 | 108.9 | A5 | S3-A5 PolarHBondContact O-N 3.23Š| ||
| 4 | P | 47.2 | Very low | 43.6 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -68.3 | 116 | -179.3 | 25.8 | -30.5 | 0 | 0 | 0 | 109.3 | V6 | P4-V6 PolarHBondContact O-N 3.02Š| ||
| 5 | A | 51.2 | Low | 43.2 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -61.3 | 103.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | S3 I7 | S3-A5 PolarHBondContact O-N 3.23Å; A5-I7 VanDerWaalsContact C-N 3.25Å; A5-I7 PolarHBondContact O-N 3.01Å | ||
| 6 | V | 44.7 | Very low | 42.8 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | trans | -64.8 | 93.6 | 169.9 | 178.2 | 0 | 0 | 0 | 0 | 106.4 | P4 V8 | P4-V6 PolarHBondContact O-N 3.02Å; V6-V8 VanDerWaalsContact C-N 3.28Å; V6-V8 HydrophobicContact CG1-CG2 4.35Å; V6-V8 PolarHBondContact O-N 2.94Å | ||
| 7 | I | 43.9 | Very low | 42.3 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -69.2 | 94.3 | 170.5 | -62.2 | 167.5 | 0 | 0 | 0 | 105.2 | A5 P9 | A5-I7 VanDerWaalsContact C-N 3.25Å; A5-I7 PolarHBondContact O-N 3.01Å; I7-P9 VanDerWaalsContact O-CD 3.22Å; I7-P9 WeakPolarHBondContact O-CD 3.35Å; I7-P9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | V | 39.9 | Very low | 42.1 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | -61.4 | 114.6 | 169.6 | 178.1 | 0 | 0 | 0 | 0 | 106.1 | V6 F10 | V6-V8 VanDerWaalsContact C-N 3.28Å; V6-V8 HydrophobicContact CG1-CG2 4.35Å; V6-V8 PolarHBondContact O-N 2.94Å; V8-F10 PolarHBondContact O-N 3.06Å | ||
| 9 | P | 42.4 | Very low | 42 | Very low | 86 Ų | 86 | 150.9 Ų | 150.9 | 56% | 0.558 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 109.1 | -178.8 | 26.7 | -31.6 | 0 | 0 | 0 | 107.8 | I7 H11 | I7-P9 VanDerWaalsContact O-CD 3.22Å; I7-P9 WeakPolarHBondContact O-CD 3.35Å; I7-P9 VanDerWaalsContact O-N 3.16Å; P9-H11 VanDerWaalsContact C-N 3.34Å; P9-H11 PolarHBondContact O-N 3.16Å; P9-H11 PolarHBondContact O-ND1 2.96Å | ||
| 10 | F | 42.1 | Very low | 42 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | -59.4 | 99.2 | 169.1 | -135.5 | -97.2 | 0 | 0 | 0 | 106.4 | V8 P12 | V8-F10 PolarHBondContact O-N 3.06Å; F10-P12 WeakPolarHBondContact O-CD 3.5Å | ||
| 11 | H | 35.4 | Very low | 42.1 | Very low | 144 Ų | 144 | 154 Ų | 154 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | trans | -79.6 | 105.2 | 171.3 | -67.9 | -3.7 | 0 | 0 | 0 | 106.4 | P9 I13 | P9-H11 VanDerWaalsContact C-N 3.34Å; P9-H11 PolarHBondContact O-N 3.16Å; P9-H11 PolarHBondContact O-ND1 2.96Å; H11-I13 PolarHBondContact O-N 3.39Å | ||
| 12 | P | 47.3 | Very low | 41.7 | Very low | 108 Ų | 108 | 150 Ų | 150 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -62.4 | 112.6 | 172.1 | 26.8 | -32.1 | 0 | 0 | 0 | 106.6 | F10 S14 | F10-P12 WeakPolarHBondContact O-CD 3.5Å; P12-S14 VanDerWaalsContact C-N 3.27Å; P12-S14 PolarHBondContact O-N 2.91Å | ||
| 13 | I | 41.6 | Very low | 41.7 | Very low | 142 Ų | 142 | 145 Ų | 145 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | trans | -56.1 | 92.6 | 179.1 | -64.1 | 164.4 | 0 | 0 | 0 | 107.7 | H11 F15 | H11-I13 PolarHBondContact O-N 3.39Å; I13-F15 PolarHBondContact O-N 3.3Å | ||
| 14 | S | 41 | Very low | 41.2 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | trans | -83.6 | 59.9 | -178.3 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | P12 | P12-S14 VanDerWaalsContact C-N 3.27Å; P12-S14 PolarHBondContact O-N 2.91Å | ||
| 15 | F | 37.9 | Very low | 40.9 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | trans | -140.1 | 22.2 | 179.3 | -72.8 | -69.6 | 0 | 0 | 0 | 115.7 | I13 R17 | I13-F15 PolarHBondContact O-N 3.3Å; F15-R17 PolarHBondContact O-N 3.2Å; F15-R17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | Y | 36.6 | Very low | 39.9 | Very low | 215 Ų | 215 | 154.5 Ų | 154.5 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -87.4 | 72.8 | 156.9 | -65.3 | -74 | 0 | 0 | 0 | 109.4 | R18 | Y16-R18 VanDerWaalsContact C-N 3.29Å; Y16-R18 PolarHBondContact O-N 3.33Å | ||
| 17 | R | 33.9 | Very low | 39.5 | Very low | 236 Ų | 236 | 157 Ų | 157 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -61.8 | 95 | 164.4 | -148.4 | -174.2 | -140.2 | -171.3 | 6 | 106 | F15 P19 | F15-R17 PolarHBondContact O-N 3.2Å; F15-R17 VanDerWaalsContact O-N 3.15Å; R17-P19 VanDerWaalsContact O-CD 3.24Å; R17-P19 WeakPolarHBondContact O-CD 3.46Å; R17-P19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | R | 39.2 | Very low | 39.1 | Very low | 219 Ų | 219 | 157.3 Ų | 157.3 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -51.3 | 113.4 | 179.5 | -67.7 | -176.2 | -169.7 | -170.2 | 3.1 | 108.7 | Y16 R20 | Y16-R18 VanDerWaalsContact C-N 3.29Å; Y16-R18 PolarHBondContact O-N 3.33Å; R18-R20 PolarHBondContact O-N 3.06Å; R18-R20 VanDerWaalsContact O-N 3.13Å | ||
| 19 | P | 39.2 | Very low | 39 | Very low | 107 Ų | 107 | 156.4 Ų | 156.4 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -66.2 | 118.5 | 167.8 | 26.8 | -28.2 | 0 | 0 | 0 | 106.2 | R17 L21 | R17-P19 VanDerWaalsContact O-CD 3.24Å; R17-P19 WeakPolarHBondContact O-CD 3.46Å; R17-P19 VanDerWaalsContact O-N 3.08Å; P19-L21 HydrophobicContact CB-CD1 4.34Å; P19-L21 PolarHBondContact O-N 3.14Å | ||
| 20 | R | 43.4 | Very low | 38.6 | Very low | 245 Ų | 245 | 155.6 Ų | 155.6 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -65.8 | 74.4 | 167.2 | -75 | 177.6 | 166.6 | 145.4 | -5 | 107.7 | R18 N22 | R18-R20 PolarHBondContact O-N 3.06Å; R18-R20 VanDerWaalsContact O-N 3.13Å; R20-N22 PolarHBondContact O-N 3.11Å | ||
| 21 | L | 42.5 | Very low | 38.4 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 63% | 0.634 | 77% | 0.771 | S | S | * | * | trans | -89.2 | 87.1 | 171.4 | -123.7 | 83.7 | 0 | 0 | 0 | 107.2 | P19 N23 | P19-L21 HydrophobicContact CB-CD1 4.34Å; P19-L21 PolarHBondContact O-N 3.14Å; L21-N23 HydrophobicContact CD2-CB 4.11Å; L21-N23 VanDerWaalsContact CD2-ND2 3.32Å; L21-N23 WeakPolarHBondContact CD2-ND2 3.34Å; L21-N23 HydrophobicContact CG-CB 4.39Å; L21-N23 PolarHBondContact O-N 3.3Å | ||
| 22 | N | 39.1 | Very low | 38.9 | Very low | 154 Ų | 154 | 156 Ų | 156 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -67.9 | 70.7 | 156.2 | -79.1 | -1.1 | 0 | 0 | 0 | 107.5 | R20 | R20-N22 PolarHBondContact O-N 3.11Š| ||
| 23 | N | 41.5 | Very low | 38.6 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 56% | 0.561 | 77% | 0.772 | S | S | * | * | trans | -110.5 | 94.4 | 170.6 | -78.1 | 12.5 | 0 | 0 | 0 | 107.2 | L21 Y25 | L21-N23 HydrophobicContact CD2-CB 4.11Å; L21-N23 VanDerWaalsContact CD2-ND2 3.32Å; L21-N23 WeakPolarHBondContact CD2-ND2 3.34Å; L21-N23 HydrophobicContact CG-CB 4.39Å; L21-N23 PolarHBondContact O-N 3.3Å; N23-Y25 VanDerWaalsContact C-N 3.29Å; N23-Y25 PolarHBondContact O-N 3.32Å | ||
| 24 | T | 35.8 | Very low | 38.9 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | -45.9 | 90.9 | 161.7 | -33.2 | 0 | 0 | 0 | 0 | 108.8 | E26 | T24-E26 HydrophobicContact CG2-CG 4.19Å; T24-E26 PolarHBondContact O-N 3.43Å | ||
| 25 | Y | 40.9 | Very low | 39.3 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -83.1 | 93.5 | 162.4 | -103.1 | -91.5 | 0 | 0 | 0 | 106.2 | N23 F27 | N23-Y25 VanDerWaalsContact C-N 3.29Å; N23-Y25 PolarHBondContact O-N 3.32Å; Y25-F27 PolarHBondContact O-N 3.16Å; Y25-F27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | E | 29.1 | Very low | 40 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | -68.8 | 97.8 | 161.8 | -69.6 | -178.4 | 162.2 | 0 | 0 | 106.8 | T24 | T24-E26 HydrophobicContact CG2-CG 4.19Å; T24-E26 PolarHBondContact O-N 3.43Å | ||
| 27 | F | 37.3 | Very low | 40.7 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -121.4 | 127.2 | 168.1 | -148.5 | -97 | 0 | 0 | 0 | 107.8 | Y25 G29 | Y25-F27 PolarHBondContact O-N 3.16Å; Y25-F27 VanDerWaalsContact O-N 3.14Å; F27-G29 PolarHBondContact O-N 3.35Å | ||
| 28 | D | 36.1 | Very low | 41.6 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.6 | 127.9 | -170.7 | -73.3 | -55.4 | 0 | 0 | 0 | 114.4 | A30 | D28-A30 PolarHBondContact O-N 3.1Š|
| 29 | G | 35.9 | Very low | 42.2 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 94% | 0.938 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.7 | -6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | F27 | F27-G29 PolarHBondContact O-N 3.35Š|
| 30 | A | 34.6 | Very low | 42.9 | Very low | 70 Ų | 70 | 132 Ų | 132 | 58% | 0.579 | 70% | 0.701 | S | S | * | * | trans | -129.8 | 104.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D28 I32 | D28-A30 PolarHBondContact O-N 3.1Å; A30-I32 PolarHBondContact O-N 2.84Å | ||
| 31 | K | 38.2 | Very low | 43.5 | Very low | 214 Ų | 214 | 126.1 Ų | 126.1 | 93% | 0.93 | 69% | 0.688 | S | S | * | * | trans | -63.7 | 79 | 170.7 | -147.4 | 177.3 | -165.2 | 176.9 | 0 | 108.1 | S33 | K31-S33 PolarHBondContact O-N 2.97Š| ||
| 32 | I | 45.1 | Very low | 44.2 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -71.9 | 85.8 | 169.3 | -56 | 171 | 0 | 0 | 0 | 104.5 | A30 T34 | A30-I32 PolarHBondContact O-N 2.84Å; I32-T34 HydrophobicContact CG2-CG2 4.26Å; I32-T34 PolarHBondContact O-N 2.86Å | ||
| 33 | S | 42 | Very low | 45.3 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | trans | -54.1 | 101.8 | 158 | 53.8 | 0 | 0 | 0 | 0 | 105.1 | K31 N35 | K31-S33 PolarHBondContact O-N 2.97Å; S33-N35 PolarHBondContact O-N 3.47Å | ||
| 34 | T | 48.8 | Very low | 46.1 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | trans | -68.6 | 73.3 | 175.1 | 42.9 | 0 | 0 | 0 | 0 | 107.1 | I32 L36 | I32-T34 HydrophobicContact CG2-CG2 4.26Å; I32-T34 PolarHBondContact O-N 2.86Å; T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 2.96Å | ||
| 35 | N | 49.4 | Very low | 47.6 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 51% | 0.508 | 66% | 0.659 | S | S | . | * | trans | -61.3 | 105.7 | 169 | -159.9 | -8.1 | 0 | 0 | 0 | 104.7 | S33 E37 S38 | S33-N35 PolarHBondContact O-N 3.47Å; N35-E37 PolarHBondContact O-N 2.94Å; N35-S38 PolarHBondContact O-N 3.31Å; N35-S38 PolarHBondContact O-OG 2.92Å | ||
| 36 | L | 52.1 | Low | 48.9 | Very low | 128 Ų | 128 | 114.4 Ų | 114.4 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -18.4 | -172.8 | -119.1 | 74.1 | 0 | 0 | 0 | 111.8 | T34 S38 V39 P40 | T34-L36 VanDerWaalsContact C-N 3.34Å; T34-L36 PolarHBondContact O-N 2.96Å; L36-S38 PolarHBondContact O-N 3.48Å; L36-V39 WeakPolarHBondContact O-CB 3.25Å; L36-V39 WeakPolarHBondContact O-CG2 3.49Å; L36-V39 PolarHBondContact O-N 3.18Å; L36-P40 WeakPolarHBondContact O-CD 3.33Å |
| 37 | E | 50.7 | Low | 50.9 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -19.4 | 173.3 | -63.3 | -172.9 | 161.9 | 0 | 0 | 114.3 | N35 P40 | N35-E37 PolarHBondContact O-N 2.94Å; E37-P40 VanDerWaalsContact O-CD 3.29Å; E37-P40 WeakPolarHBondContact O-CD 3.43Å; E37-P40 VanDerWaalsContact O-CG 3.25Å; E37-P40 WeakPolarHBondContact O-CG 3.39Å |
| 38 | S | 52.5 | Low | 52.6 | Low | 66 Ų | 66 | 104.6 Ų | 104.6 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -82.5 | -18.9 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | N35 L36 N41 F42 | N35-S38 PolarHBondContact O-N 3.31Å; N35-S38 PolarHBondContact O-OG 2.92Å; L36-S38 PolarHBondContact O-N 3.48Å; S38-N41 PolarHBondContact O-N 3.03Å; S38-F42 PolarHBondContact O-N 3.07Å |
| 39 | V | 52.7 | Low | 54.5 | Low | 71 Ų | 71 | 102.8 Ų | 102.8 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60 | -45.9 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | L36 N41 F42 I43 | L36-V39 WeakPolarHBondContact O-CB 3.25Å; L36-V39 WeakPolarHBondContact O-CG2 3.49Å; L36-V39 PolarHBondContact O-N 3.18Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.5Å; V39-F42 PolarHBondContact O-N 3.37Å; V39-I43 HydrophobicContact CG1-CD1 3.72Å; V39-I43 HydrophobicContact CG1-CG1 4.32Å; V39-I43 VanDerWaalsContact O-CG1 3.27Å; V39-I43 WeakPolarHBondContact O-CG1 3.45Å; V39-I43 PolarHBondContact O-N 3Å |
| 40 | P | 54.1 | Low | 56.7 | Low | 75 Ų | 75 | 102.8 Ų | 102.8 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -35.7 | 174.8 | 22 | -32.6 | 0 | 0 | 0 | 112.7 | L36 E37 I43 S44 | L36-P40 WeakPolarHBondContact O-CD 3.33Å; E37-P40 VanDerWaalsContact O-CD 3.29Å; E37-P40 WeakPolarHBondContact O-CD 3.43Å; E37-P40 VanDerWaalsContact O-CG 3.25Å; E37-P40 WeakPolarHBondContact O-CG 3.39Å; P40-I43 PolarHBondContact O-N 3.41Å; P40-S44 VanDerWaalsContact O-CB 3.25Å; P40-S44 WeakPolarHBondContact O-CB 3.22Å; P40-S44 PolarHBondContact O-N 3.24Å |
| 41 | N | 56.4 | Low | 59 | Low | 122 Ų | 122 | 108.1 Ų | 108.1 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.3 | -41 | 176.3 | -78 | 5.3 | 0 | 0 | 0 | 111.7 | S38 V39 S44 H45 | S38-N41 PolarHBondContact O-N 3.03Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.5Å; N41-S44 PolarHBondContact O-N 2.98Å; N41-H45 WeakPolarHBondContact O-CB 3.33Å; N41-H45 PolarHBondContact O-N 3.37Å |
| 42 | F | 55.9 | Low | 61.3 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 68% | 0.684 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.5 | -44 | 176 | -174.2 | -97.5 | 0 | 0 | 0 | 111.9 | S38 V39 S44 H45 A46 | S38-F42 PolarHBondContact O-N 3.07Å; V39-F42 PolarHBondContact O-N 3.37Å; F42-S44 VanDerWaalsContact C-N 3.35Å; F42-S44 PolarHBondContact O-N 3.17Å; F42-H45 WeakPolarHBondContact O-CB 3.49Å; F42-H45 PolarHBondContact O-N 2.96Å; F42-A46 WeakPolarHBondContact O-CB 3.4Å; F42-A46 PolarHBondContact O-N 3.42Å |
| 43 | I | 61.7 | Low | 63.2 | Low | 87 Ų | 87 | 100.4 Ų | 100.4 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.2 | -66.7 | 168.4 | 0 | 0 | 0 | 110.4 | V39 P40 H45 A46 I47 | V39-I43 HydrophobicContact CG1-CD1 3.72Å; V39-I43 HydrophobicContact CG1-CG1 4.32Å; V39-I43 VanDerWaalsContact O-CG1 3.27Å; V39-I43 WeakPolarHBondContact O-CG1 3.45Å; V39-I43 PolarHBondContact O-N 3Å; P40-I43 PolarHBondContact O-N 3.41Å; I43-H45 VanDerWaalsContact C-N 3.3Å; I43-H45 PolarHBondContact O-N 3.11Å; I43-A46 PolarHBondContact O-N 3.25Å; I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.33Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 3.46Å |
| 44 | S | 59.1 | Low | 65.4 | Low | 77 Ų | 77 | 102.1 Ų | 102.1 | 54% | 0.538 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 176.2 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | P40 N41 F42 I47 S48 | P40-S44 VanDerWaalsContact O-CB 3.25Å; P40-S44 WeakPolarHBondContact O-CB 3.22Å; P40-S44 PolarHBondContact O-N 3.24Å; N41-S44 PolarHBondContact O-N 2.98Å; F42-S44 VanDerWaalsContact C-N 3.35Å; F42-S44 PolarHBondContact O-N 3.17Å; S44-I47 PolarHBondContact O-N 3.49Å; S44-S48 WeakPolarHBondContact O-CB 3.26Å; S44-S48 PolarHBondContact O-N 3.41Å |
| 45 | H | 66.9 | Low | 67.3 | Low | 111 Ų | 111 | 103.7 Ų | 103.7 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 175.4 | -161.9 | -38.4 | 0 | 0 | 0 | 111.5 | N41 F42 I43 I47 S48 E49 | N41-H45 WeakPolarHBondContact O-CB 3.33Å; N41-H45 PolarHBondContact O-N 3.37Å; F42-H45 WeakPolarHBondContact O-CB 3.49Å; F42-H45 PolarHBondContact O-N 2.96Å; I43-H45 VanDerWaalsContact C-N 3.3Å; I43-H45 PolarHBondContact O-N 3.11Å; H45-I47 VanDerWaalsContact C-N 3.35Å; H45-I47 PolarHBondContact O-N 2.94Å; H45-S48 WeakPolarHBondContact O-CB 3.41Å; H45-S48 PolarHBondContact O-N 3.03Å; H45-S48 VanDerWaalsContact O-N 3.16Å; H45-E49 IonicContact CE1-OE1 2.91Å; H45-E49 PolarHBondContact CE1-OE1 2.99Å; H45-E49 IonicContact ND1-OE1 3.1Å; H45-E49 PolarHBondContact ND1-OE1 2.8Å; H45-E49 VanDerWaalsContact ND1-OE1 3.1Å; H45-E49 PolarHBondContact O-N 3.24Å |
| 46 | A | 68.6 | Low | 69.1 | Low | 33 Ų | 33 | 103.2 Ų | 103.2 | 27% | 0.273 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F42 I43 S48 E49 I50 | F42-A46 WeakPolarHBondContact O-CB 3.4Å; F42-A46 PolarHBondContact O-N 3.42Å; I43-A46 PolarHBondContact O-N 3.25Å; A46-S48 VanDerWaalsContact C-N 3.32Å; A46-S48 PolarHBondContact O-N 3.44Å; A46-E49 PolarHBondContact O-N 2.89Å; A46-I50 WeakPolarHBondContact O-CB 3.27Å; A46-I50 WeakPolarHBondContact O-CD1 3.49Å; A46-I50 WeakPolarHBondContact O-CG1 3.46Å; A46-I50 PolarHBondContact O-N 3.37Å |
| 47 | I | 71.9 | Confident | 70.8 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 40% | 0.395 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.5 | -67.9 | 166.1 | 0 | 0 | 0 | 110.8 | I43 S44 H45 I50 R51 | I43-I47 HydrophobicContact CG2-CD1 3.73Å; I43-I47 HydrophobicContact CG2-CG1 4.33Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 3.46Å; S44-I47 PolarHBondContact O-N 3.49Å; H45-I47 VanDerWaalsContact C-N 3.35Å; H45-I47 PolarHBondContact O-N 2.94Å; I47-I50 PolarHBondContact O-N 3.17Å; I47-R51 HydrophobicContact CG2-CG 4.44Å; I47-R51 WeakPolarHBondContact O-CB 3.38Å; I47-R51 VanDerWaalsContact O-CG 3.29Å; I47-R51 WeakPolarHBondContact O-CG 3.29Å; I47-R51 PolarHBondContact O-N 3.42Å |
| 48 | S | 72 | Confident | 72.6 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 177 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | S44 H45 A46 R51 F52 | S44-S48 WeakPolarHBondContact O-CB 3.26Å; S44-S48 PolarHBondContact O-N 3.41Å; H45-S48 WeakPolarHBondContact O-CB 3.41Å; H45-S48 PolarHBondContact O-N 3.03Å; H45-S48 VanDerWaalsContact O-N 3.16Å; A46-S48 VanDerWaalsContact C-N 3.32Å; A46-S48 PolarHBondContact O-N 3.44Å; S48-R51 PolarHBondContact O-N 3.46Å; S48-F52 WeakPolarHBondContact O-CB 3.49Å; S48-F52 PolarHBondContact O-N 2.88Å |
| 49 | E | 76.3 | Confident | 74.1 | Confident | 118 Ų | 118 | 101.9 Ų | 101.9 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 176.1 | -73.3 | -176.2 | -172.1 | 0 | 0 | 112.4 | H45 A46 R51 F52 A53 | H45-E49 IonicContact CE1-OE1 2.91Å; H45-E49 PolarHBondContact CE1-OE1 2.99Å; H45-E49 IonicContact ND1-OE1 3.1Å; H45-E49 PolarHBondContact ND1-OE1 2.8Å; H45-E49 VanDerWaalsContact ND1-OE1 3.1Å; H45-E49 PolarHBondContact O-N 3.24Å; A46-E49 PolarHBondContact O-N 2.89Å; E49-R51 PolarHBondContact O-N 2.89Å; E49-F52 WeakPolarHBondContact O-CB 3.39Å; E49-F52 PolarHBondContact O-N 3.22Å; E49-A53 PolarHBondContact O-N 2.99Å |
| 50 | I | 81.8 | Confident | 75.6 | Confident | 92 Ų | 92 | 103.7 Ų | 103.7 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 176.5 | -70 | 164.5 | 0 | 0 | 0 | 110.2 | A46 I47 F52 A53 F54 | A46-I50 WeakPolarHBondContact O-CB 3.27Å; A46-I50 WeakPolarHBondContact O-CD1 3.49Å; A46-I50 WeakPolarHBondContact O-CG1 3.46Å; A46-I50 PolarHBondContact O-N 3.37Å; I47-I50 PolarHBondContact O-N 3.17Å; I50-F52 VanDerWaalsContact C-N 3.3Å; I50-F52 PolarHBondContact O-N 2.91Å; I50-A53 PolarHBondContact O-N 3.46Å; I50-F54 HydrophobicContact CG2-CD2 3.61Å; I50-F54 HydrophobicContact CG2-CE2 3.47Å; I50-F54 VanDerWaalsContact CG2-CE2 3.47Å; I50-F54 WeakPolarHBondContact O-CD2 3.05Å; I50-F54 PolarHBondContact O-N 3.48Å |
| 51 | R | 82.6 | Confident | 76.9 | Confident | 181 Ų | 181 | 106.7 Ų | 106.7 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60 | -41 | 175.7 | -75.6 | 177.3 | -177.2 | -171.1 | 3 | 111.7 | I47 S48 E49 F54 Y55 | I47-R51 HydrophobicContact CG2-CG 4.44Å; I47-R51 WeakPolarHBondContact O-CB 3.38Å; I47-R51 VanDerWaalsContact O-CG 3.29Å; I47-R51 WeakPolarHBondContact O-CG 3.29Å; I47-R51 PolarHBondContact O-N 3.42Å; S48-R51 PolarHBondContact O-N 3.46Å; E49-R51 PolarHBondContact O-N 2.89Å; R51-F54 PolarHBondContact O-N 3.18Å; R51-Y55 WeakPolarHBondContact O-CB 3.35Å; R51-Y55 PolarHBondContact O-N 3.34Å |
| 52 | F | 86.8 | Confident | 78.1 | Confident | 131 Ų | 131 | 104.3 Ų | 104.3 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 175.9 | -175.9 | -101 | 0 | 0 | 0 | 111.5 | S48 E49 I50 F54 Y55 I56 | S48-F52 WeakPolarHBondContact O-CB 3.49Å; S48-F52 PolarHBondContact O-N 2.88Å; E49-F52 WeakPolarHBondContact O-CB 3.39Å; E49-F52 PolarHBondContact O-N 3.22Å; I50-F52 VanDerWaalsContact C-N 3.3Å; I50-F52 PolarHBondContact O-N 2.91Å; F52-F54 PolarHBondContact O-N 3.33Å; F52-Y55 WeakPolarHBondContact O-CB 3.35Å; F52-Y55 PolarHBondContact O-N 3.09Å; F52-Y55 VanDerWaalsContact O-N 3.15Å; F52-I56 HydrophobicContact CD1-CG1 4.12Å; F52-I56 HydrophobicContact CE1-CD1 4.09Å; F52-I56 HydrophobicContact CE1-CG1 3.76Å; F52-I56 HydrophobicContact CE2-CD1 4.35Å; F52-I56 HydrophobicContact CE2-CG1 4.46Å; F52-I56 HydrophobicContact CZ-CD1 3.81Å; F52-I56 HydrophobicContact CZ-CG1 3.95Å; F52-I56 WeakPolarHBondContact O-CG1 3.32Å; F52-I56 PolarHBondContact O-N 3.1Å |
| 53 | A | 86 | Confident | 79.2 | Confident | 59 Ų | 59 | 104.4 Ų | 104.4 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E49 I50 Y55 I56 L57 | E49-A53 PolarHBondContact O-N 2.99Å; I50-A53 PolarHBondContact O-N 3.46Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 PolarHBondContact O-N 2.91Å; A53-I56 PolarHBondContact O-N 2.94Å; A53-L57 WeakPolarHBondContact O-CB 3.47Å; A53-L57 PolarHBondContact O-N 2.85Å |
| 54 | F | 87.4 | Confident | 80 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -38.8 | 174.2 | -83.7 | -69.8 | 0 | 0 | 0 | 112.5 | I50 R51 F52 L57 Y58 | I50-F54 HydrophobicContact CG2-CD2 3.61Å; I50-F54 HydrophobicContact CG2-CE2 3.47Å; I50-F54 VanDerWaalsContact CG2-CE2 3.47Å; I50-F54 WeakPolarHBondContact O-CD2 3.05Å; I50-F54 PolarHBondContact O-N 3.48Å; R51-F54 PolarHBondContact O-N 3.18Å; F52-F54 PolarHBondContact O-N 3.33Å; F54-L57 PolarHBondContact O-N 3.31Å; F54-Y58 WeakPolarHBondContact O-CB 3.49Å; F54-Y58 PolarHBondContact O-N 3.5Å |
| 55 | Y | 87.8 | Confident | 80.8 | Confident | 140 Ų | 140 | 104 Ų | 104 | 55% | 0.549 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.3 | -179.4 | -105.6 | 0 | 0 | 0 | 112.2 | R51 F52 A53 Y58 I59 | R51-Y55 WeakPolarHBondContact O-CB 3.35Å; R51-Y55 PolarHBondContact O-N 3.34Å; F52-Y55 WeakPolarHBondContact O-CB 3.35Å; F52-Y55 PolarHBondContact O-N 3.09Å; F52-Y55 VanDerWaalsContact O-N 3.15Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 PolarHBondContact O-N 2.91Å; Y55-Y58 PolarHBondContact O-N 2.87Å; Y55-I59 HydrophobicContact CD1-CD1 3.86Å; Y55-I59 HydrophobicContact CE1-CD1 3.31Å; Y55-I59 HydrophobicContact CE1-CG1 4.33Å; Y55-I59 HydrophobicContact CE2-CD1 4.31Å; Y55-I59 WeakPolarHBondContact O-CG1 3.22Å; Y55-I59 PolarHBondContact O-N 3.47Å |
| 56 | I | 88.5 | Confident | 81.2 | Confident | 85 Ų | 85 | 105.9 Ų | 105.9 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 174.5 | -64.8 | -70.2 | 0 | 0 | 0 | 110.8 | F52 A53 Y58 I59 L60 | F52-I56 HydrophobicContact CD1-CG1 4.12Å; F52-I56 HydrophobicContact CE1-CD1 4.09Å; F52-I56 HydrophobicContact CE1-CG1 3.76Å; F52-I56 HydrophobicContact CE2-CD1 4.35Å; F52-I56 HydrophobicContact CE2-CG1 4.46Å; F52-I56 HydrophobicContact CZ-CD1 3.81Å; F52-I56 HydrophobicContact CZ-CG1 3.95Å; F52-I56 WeakPolarHBondContact O-CG1 3.32Å; F52-I56 PolarHBondContact O-N 3.1Å; A53-I56 PolarHBondContact O-N 2.94Å; I56-Y58 VanDerWaalsContact C-N 3.31Å; I56-Y58 PolarHBondContact O-N 2.91Å; I56-I59 PolarHBondContact O-N 2.96Å; I56-L60 PolarHBondContact O-N 2.98Å |
| 57 | L | 88.2 | Confident | 81.5 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 176.8 | -178.1 | 63.5 | 0 | 0 | 0 | 111.6 | A53 F54 L60 Y61 | A53-L57 WeakPolarHBondContact O-CB 3.47Å; A53-L57 PolarHBondContact O-N 2.85Å; F54-L57 PolarHBondContact O-N 3.31Å; L57-L60 PolarHBondContact O-N 3.33Å; L57-Y61 WeakPolarHBondContact O-CB 3.44Å; L57-Y61 PolarHBondContact O-N 2.98Å |
| 58 | Y | 86.9 | Confident | 81.4 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.5 | 177.8 | -100.2 | 0 | 0 | 0 | 112.3 | F54 Y55 I56 L60 Y61 M62 | F54-Y58 WeakPolarHBondContact O-CB 3.49Å; F54-Y58 PolarHBondContact O-N 3.5Å; Y55-Y58 PolarHBondContact O-N 2.87Å; I56-Y58 VanDerWaalsContact C-N 3.31Å; I56-Y58 PolarHBondContact O-N 2.91Å; Y58-L60 VanDerWaalsContact C-N 3.32Å; Y58-L60 PolarHBondContact O-N 3.28Å; Y58-Y61 WeakPolarHBondContact O-CB 3.4Å; Y58-Y61 PolarHBondContact O-N 3.34Å; Y58-M62 HydrophobicContact CD1-CG 4.26Å; Y58-M62 HydrophobicContact CD2-CG 4.4Å; Y58-M62 HydrophobicContact CE1-CG 3.8Å; Y58-M62 HydrophobicContact CE2-CG 3.95Å; Y58-M62 HydrophobicContact CE2-SD 4.21Å; Y58-M62 WeakPolarHBondContact O-CG 3.41Å; Y58-M62 PolarHBondContact O-N 3.35Å |
| 59 | I | 85.5 | Confident | 81.6 | Confident | 77 Ų | 77 | 112 Ų | 112 | 40% | 0.395 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 175 | -70.7 | 172 | 0 | 0 | 0 | 110.7 | Y55 I56 Y61 M62 K63 | Y55-I59 HydrophobicContact CD1-CD1 3.86Å; Y55-I59 HydrophobicContact CE1-CD1 3.31Å; Y55-I59 HydrophobicContact CE1-CG1 4.33Å; Y55-I59 HydrophobicContact CE2-CD1 4.31Å; Y55-I59 WeakPolarHBondContact O-CG1 3.22Å; Y55-I59 PolarHBondContact O-N 3.47Å; I56-I59 PolarHBondContact O-N 2.96Å; I59-Y61 VanDerWaalsContact C-N 3.35Å; I59-Y61 PolarHBondContact O-N 2.8Å; I59-M62 PolarHBondContact O-N 3.21Å; I59-K63 WeakPolarHBondContact O-CB 3.37Å; I59-K63 PolarHBondContact O-N 3.43Å |
| 60 | L | 84.1 | Confident | 81.8 | Confident | 110 Ų | 110 | 113.3 Ų | 113.3 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 179.5 | -171.8 | 67.1 | 0 | 0 | 0 | 111.3 | I56 L57 Y58 K63 H64 | I56-L60 PolarHBondContact O-N 2.98Å; L57-L60 PolarHBondContact O-N 3.33Å; Y58-L60 VanDerWaalsContact C-N 3.32Å; Y58-L60 PolarHBondContact O-N 3.28Å; L60-K63 PolarHBondContact O-N 2.87Å; L60-H64 WeakPolarHBondContact O-CB 3.33Å; L60-H64 PolarHBondContact O-N 2.92Å |
| 61 | Y | 81.7 | Confident | 81.6 | Confident | 137 Ų | 137 | 112.5 Ų | 112.5 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 174.6 | 176.4 | -102.1 | 0 | 0 | 0 | 111.8 | L57 Y58 I59 K63 H64 N65 | L57-Y61 WeakPolarHBondContact O-CB 3.44Å; L57-Y61 PolarHBondContact O-N 2.98Å; Y58-Y61 WeakPolarHBondContact O-CB 3.4Å; Y58-Y61 PolarHBondContact O-N 3.34Å; I59-Y61 VanDerWaalsContact C-N 3.35Å; I59-Y61 PolarHBondContact O-N 2.8Å; Y61-K63 PolarHBondContact O-N 2.91Å; Y61-H64 PolarHBondContact O-N 3.36Å; Y61-N65 WeakPolarHBondContact CE1-ND2 3.47Å; Y61-N65 WeakPolarHBondContact O-CB 3.4Å; Y61-N65 PolarHBondContact O-N 2.92Å; Y61-N65 PolarHBondContact OH-ND2 3.45Å; Y61-N65 VanDerWaalsContact OH-ND2 3.1Å |
| 62 | M | 79.8 | Confident | 81.4 | Confident | 73 Ų | 73 | 109.4 Ų | 109.4 | 36% | 0.36 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 178.9 | -69.5 | -61.3 | -75.3 | 0 | 0 | 112.6 | Y58 I59 K66 | Y58-M62 HydrophobicContact CD1-CG 4.26Å; Y58-M62 HydrophobicContact CD2-CG 4.4Å; Y58-M62 HydrophobicContact CE1-CG 3.8Å; Y58-M62 HydrophobicContact CE2-CG 3.95Å; Y58-M62 HydrophobicContact CE2-SD 4.21Å; Y58-M62 WeakPolarHBondContact O-CG 3.41Å; Y58-M62 PolarHBondContact O-N 3.35Å; I59-M62 PolarHBondContact O-N 3.21Å; M62-K66 WeakPolarHBondContact O-CG 3.46Å; M62-K66 PolarHBondContact O-N 3.32Å; M62-K66 VanDerWaalsContact O-N 3.09Å |
| 63 | K | 80 | Confident | 80.9 | Confident | 157 Ų | 157 | 107.6 Ų | 107.6 | 68% | 0.683 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -45.5 | 175.2 | -175.8 | 177.1 | -180 | -179.5 | 0 | 111.1 | I59 L60 Y61 S67 | I59-K63 WeakPolarHBondContact O-CB 3.37Å; I59-K63 PolarHBondContact O-N 3.43Å; L60-K63 PolarHBondContact O-N 2.87Å; Y61-K63 PolarHBondContact O-N 2.91Å; K63-S67 PolarHBondContact O-N 2.94Å |
| 64 | H | 77.7 | Confident | 80.4 | Confident | 106 Ų | 106 | 106.8 Ų | 106.8 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -46.8 | 178.1 | -166.3 | -120 | 0 | 0 | 0 | 111.1 | L60 Y61 K66 S67 W68 | L60-H64 WeakPolarHBondContact O-CB 3.33Å; L60-H64 PolarHBondContact O-N 2.92Å; Y61-H64 PolarHBondContact O-N 3.36Å; H64-K66 VanDerWaalsContact C-N 3.34Å; H64-K66 PolarHBondContact O-N 3.15Å; H64-S67 CarbonylContact O-C 3.59Å; H64-S67 WeakPolarHBondContact O-CA 3.44Å; H64-S67 VanDerWaalsContact O-CB 3.26Å; H64-S67 WeakPolarHBondContact O-CB 3.41Å; H64-S67 PolarHBondContact O-N 3.29Å; H64-W68 AromaticContact CD2-CD1 3.96Å; H64-W68 AromaticContact CD2-NE1 3.54Å; H64-W68 AromaticContact CE1-CD1 3.49Å; H64-W68 VanDerWaalsContact CE1-CD1 3.49Å; H64-W68 AromaticContact CE1-CE2 3.82Å; H64-W68 AromaticContact CE1-NE1 2.8Å; H64-W68 PolarHBondContact CE1-NE1 2.95Å; H64-W68 AromaticContact CG-CD1 3.72Å; H64-W68 AromaticContact CG-NE1 3.68Å; H64-W68 AromaticContact ND1-CD1 3.37Å; H64-W68 AromaticContact ND1-NE1 3.21Å; H64-W68 PolarHBondContact ND1-NE1 3.39Å; H64-W68 AromaticContact NE2-CD1 3.8Å; H64-W68 AromaticContact NE2-CE2 3.97Å; H64-W68 AromaticContact NE2-NE1 2.96Å; H64-W68 PolarHBondContact NE2-NE1 2.91Å; H64-W68 PolarHBondContact O-N 2.93Å |
| 65 | N | 77 | Confident | 79.7 | Confident | 51 Ų | 51 | 104.4 Ų | 104.4 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 178.3 | -82.8 | -2.5 | 0 | 0 | 0 | 113.6 | Y61 S67 W68 N69 | Y61-N65 WeakPolarHBondContact CE1-ND2 3.47Å; Y61-N65 WeakPolarHBondContact O-CB 3.4Å; Y61-N65 PolarHBondContact O-N 2.92Å; Y61-N65 PolarHBondContact OH-ND2 3.45Å; Y61-N65 VanDerWaalsContact OH-ND2 3.1Å; N65-S67 VanDerWaalsContact C-N 3.29Å; N65-S67 PolarHBondContact O-N 2.89Å; N65-W68 PolarHBondContact O-N 3.41Å; N65-N69 WeakPolarHBondContact O-CB 3.19Å; N65-N69 PolarHBondContact O-N 2.89Å |
| 66 | K | 74.8 | Confident | 78.9 | Confident | 150 Ų | 150 | 100.6 Ų | 100.6 | 65% | 0.652 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.1 | -40.9 | 173 | -79 | 178.6 | 177.5 | 179.6 | 0 | 111.5 | M62 H64 N69 F70 | M62-K66 WeakPolarHBondContact O-CG 3.46Å; M62-K66 PolarHBondContact O-N 3.32Å; M62-K66 VanDerWaalsContact O-N 3.09Å; H64-K66 VanDerWaalsContact C-N 3.34Å; H64-K66 PolarHBondContact O-N 3.15Å; K66-N69 PolarHBondContact O-N 3.42Å; K66-F70 WeakPolarHBondContact O-CB 3.49Å; K66-F70 PolarHBondContact O-N 3.24Å |
| 67 | S | 75.3 | Confident | 78.1 | Confident | 74 Ų | 74 | 103.5 Ų | 103.5 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.1 | -166.6 | 0 | 0 | 0 | 0 | 112 | K63 H64 N65 F70 L71 | K63-S67 PolarHBondContact O-N 2.94Å; H64-S67 CarbonylContact O-C 3.59Å; H64-S67 WeakPolarHBondContact O-CA 3.44Å; H64-S67 VanDerWaalsContact O-CB 3.26Å; H64-S67 WeakPolarHBondContact O-CB 3.41Å; H64-S67 PolarHBondContact O-N 3.29Å; N65-S67 VanDerWaalsContact C-N 3.29Å; N65-S67 PolarHBondContact O-N 2.89Å; S67-F70 PolarHBondContact O-N 3.37Å; S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 2.86Å |
| 68 | W | 70 | Confident | 76.9 | Confident | 129 Ų | 129 | 105.1 Ų | 105.1 | 49% | 0.489 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 176.6 | -78.4 | 97 | 0 | 0 | 0 | 112.5 | H64 N65 F70 L71 M72 | H64-W68 AromaticContact CD2-CD1 3.96Å; H64-W68 AromaticContact CD2-NE1 3.54Å; H64-W68 AromaticContact CE1-CD1 3.49Å; H64-W68 VanDerWaalsContact CE1-CD1 3.49Å; H64-W68 AromaticContact CE1-CE2 3.82Å; H64-W68 AromaticContact CE1-NE1 2.8Å; H64-W68 PolarHBondContact CE1-NE1 2.95Å; H64-W68 AromaticContact CG-CD1 3.72Å; H64-W68 AromaticContact CG-NE1 3.68Å; H64-W68 AromaticContact ND1-CD1 3.37Å; H64-W68 AromaticContact ND1-NE1 3.21Å; H64-W68 PolarHBondContact ND1-NE1 3.39Å; H64-W68 AromaticContact NE2-CD1 3.8Å; H64-W68 AromaticContact NE2-CE2 3.97Å; H64-W68 AromaticContact NE2-NE1 2.96Å; H64-W68 PolarHBondContact NE2-NE1 2.91Å; H64-W68 PolarHBondContact O-N 2.93Å; N65-W68 PolarHBondContact O-N 3.41Å; W68-F70 VanDerWaalsContact C-N 3.31Å; W68-F70 PolarHBondContact O-N 2.93Å; W68-L71 HydrophobicContact CE3-CD2 3.99Å; W68-L71 HydrophobicContact CZ3-CD2 3.97Å; W68-L71 PolarHBondContact O-N 3.22Å; W68-M72 WeakPolarHBondContact O-CB 3.29Å; W68-M72 VanDerWaalsContact O-CG 3.29Å; W68-M72 WeakPolarHBondContact O-CG 3.44Å; W68-M72 PolarHBondContact O-N 3.45Å |
| 69 | N | 76.6 | Confident | 75.5 | Confident | 108 Ų | 108 | 104.9 Ų | 104.9 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 174.7 | -81.4 | -20.4 | 0 | 0 | 0 | 111.5 | N65 K66 M72 I73 | N65-N69 WeakPolarHBondContact O-CB 3.19Å; N65-N69 PolarHBondContact O-N 2.89Å; K66-N69 PolarHBondContact O-N 3.42Å; N69-M72 PolarHBondContact O-N 3.21Å; N69-I73 WeakPolarHBondContact O-CD1 3.26Å; N69-I73 VanDerWaalsContact O-CG1 3.22Å; N69-I73 WeakPolarHBondContact O-CG1 3.06Å; N69-I73 PolarHBondContact O-N 3.4Å |
| 70 | F | 78.6 | Confident | 74.3 | Confident | 146 Ų | 146 | 108.2 Ų | 108.2 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 175.7 | -178.6 | -97.2 | 0 | 0 | 0 | 112.4 | K66 S67 W68 I73 S74 | K66-F70 WeakPolarHBondContact O-CB 3.49Å; K66-F70 PolarHBondContact O-N 3.24Å; S67-F70 PolarHBondContact O-N 3.37Å; W68-F70 VanDerWaalsContact C-N 3.31Å; W68-F70 PolarHBondContact O-N 2.93Å; F70-I73 PolarHBondContact O-N 3.48Å; F70-S74 WeakPolarHBondContact O-CB 3.41Å; F70-S74 PolarHBondContact O-N 2.91Å; F70-S74 PolarHBondContact O-OG 2.97Å |
| 71 | L | 79.5 | Confident | 73 | Confident | 75 Ų | 75 | 104.9 Ų | 104.9 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.5 | -178.6 | 64.9 | 0 | 0 | 0 | 111.1 | S67 W68 I73 S74 L75 | S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 2.86Å; W68-L71 HydrophobicContact CE3-CD2 3.99Å; W68-L71 HydrophobicContact CZ3-CD2 3.97Å; W68-L71 PolarHBondContact O-N 3.22Å; L71-I73 PolarHBondContact O-N 3.44Å; L71-S74 PolarHBondContact O-N 2.94Å; L71-L75 HydrophobicContact CD1-CD1 4.19Å; L71-L75 HydrophobicContact CD1-CG 4.32Å; L71-L75 HydrophobicContact CG-CD1 3.97Å; L71-L75 HydrophobicContact CG-CG 4.47Å; L71-L75 WeakPolarHBondContact O-CB 3.17Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 2.91Å |
| 72 | M | 76.5 | Confident | 71.7 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -38.1 | -179.6 | -67.7 | -56.7 | -70.6 | 0 | 0 | 112.5 | W68 N69 L75 S76 | W68-M72 WeakPolarHBondContact O-CB 3.29Å; W68-M72 VanDerWaalsContact O-CG 3.29Å; W68-M72 WeakPolarHBondContact O-CG 3.44Å; W68-M72 PolarHBondContact O-N 3.45Å; N69-M72 PolarHBondContact O-N 3.21Å; M72-L75 HydrophobicContact SD-CD1 4.47Å; M72-S76 VanDerWaalsContact O-CB 3.27Å; M72-S76 WeakPolarHBondContact O-CB 3.25Å; M72-S76 PolarHBondContact O-N 3.1Å |
| 73 | I | 77.4 | Confident | 70.5 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 173.7 | -68.4 | 165.1 | 0 | 0 | 0 | 110.7 | N69 F70 L71 S76 K77 | N69-I73 WeakPolarHBondContact O-CD1 3.26Å; N69-I73 VanDerWaalsContact O-CG1 3.22Å; N69-I73 WeakPolarHBondContact O-CG1 3.06Å; N69-I73 PolarHBondContact O-N 3.4Å; F70-I73 PolarHBondContact O-N 3.48Å; L71-I73 PolarHBondContact O-N 3.44Å; I73-S76 PolarHBondContact O-N 3.35Å; I73-K77 HydrophobicContact CG2-CD 4.35Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 2.89Å |
| 74 | S | 75.8 | Confident | 69.2 | Low | 43 Ų | 43 | 101.4 Ų | 101.4 | 30% | 0.301 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | -179.6 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | F70 L71 S76 K77 E78 | F70-S74 WeakPolarHBondContact O-CB 3.41Å; F70-S74 PolarHBondContact O-N 2.91Å; F70-S74 PolarHBondContact O-OG 2.97Å; L71-S74 PolarHBondContact O-N 2.94Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 2.92Å; S74-K77 PolarHBondContact O-N 2.97Å; S74-E78 PolarHBondContact O-N 3.42Å |
| 75 | L | 73 | Confident | 67.9 | Low | 84 Ų | 84 | 104.5 Ų | 104.5 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.5 | -69.1 | 172.2 | 0 | 0 | 0 | 112 | L71 M72 E78 Q79 | L71-L75 HydrophobicContact CD1-CD1 4.19Å; L71-L75 HydrophobicContact CD1-CG 4.32Å; L71-L75 HydrophobicContact CG-CD1 3.97Å; L71-L75 HydrophobicContact CG-CG 4.47Å; L71-L75 WeakPolarHBondContact O-CB 3.17Å; L71-L75 WeakPolarHBondContact O-CG 3.41Å; L71-L75 PolarHBondContact O-N 2.91Å; M72-L75 HydrophobicContact SD-CD1 4.47Å; L75-E78 PolarHBondContact O-N 2.86Å; L75-Q79 PolarHBondContact O-N 3.45Å; L75-Q79 VanDerWaalsContact O-N 3.11Å |
| 76 | S | 71.3 | Confident | 66.7 | Low | 61 Ų | 61 | 108.4 Ų | 108.4 | 43% | 0.427 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.2 | -172 | 0 | 0 | 0 | 0 | 112.4 | M72 I73 S74 Q79 K80 | M72-S76 VanDerWaalsContact O-CB 3.27Å; M72-S76 WeakPolarHBondContact O-CB 3.25Å; M72-S76 PolarHBondContact O-N 3.1Å; I73-S76 PolarHBondContact O-N 3.35Å; S74-S76 VanDerWaalsContact C-N 3.32Å; S74-S76 PolarHBondContact O-N 2.92Å; S76-Q79 PolarHBondContact O-N 3.43Å; S76-K80 WeakPolarHBondContact O-CG 3.44Å; S76-K80 PolarHBondContact O-N 3.25Å |
| 77 | K | 70.5 | Confident | 65.5 | Low | 146 Ų | 146 | 107 Ų | 107 | 64% | 0.635 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 175.9 | -75.7 | 178.1 | 180 | -179.1 | 0 | 111.6 | I73 S74 Q79 K80 G81 | I73-K77 HydrophobicContact CG2-CD 4.35Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 2.89Å; S74-K77 PolarHBondContact O-N 2.97Å; K77-Q79 VanDerWaalsContact C-N 3.35Å; K77-Q79 PolarHBondContact O-N 3.45Å; K77-K80 PolarHBondContact O-N 3.49Å; K77-G81 PolarHBondContact O-N 3.44Å |
| 78 | E | 62.2 | Low | 64.2 | Low | 140 Ų | 140 | 110.7 Ų | 110.7 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.1 | -41.6 | 179.1 | -167.1 | 174.9 | -178.9 | 0 | 0 | 111.8 | S74 L75 K80 G81 S82 | S74-E78 PolarHBondContact O-N 3.42Å; L75-E78 PolarHBondContact O-N 2.86Å; E78-K80 PolarHBondContact O-N 2.88Å; E78-G81 PolarHBondContact O-N 3.28Å; E78-S82 WeakPolarHBondContact O-CB 3.29Å; E78-S82 PolarHBondContact O-N 2.87Å |
| 79 | Q | 59.2 | Low | 63 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.2 | -38.2 | 175.3 | -71.7 | -145.4 | 1.8 | 0 | 0 | 113.5 | L75 S76 K77 S82 K83 | L75-Q79 PolarHBondContact O-N 3.45Å; L75-Q79 VanDerWaalsContact O-N 3.11Å; S76-Q79 PolarHBondContact O-N 3.43Å; K77-Q79 VanDerWaalsContact C-N 3.35Å; K77-Q79 PolarHBondContact O-N 3.45Å; Q79-S82 PolarHBondContact O-N 2.74Å; Q79-K83 WeakPolarHBondContact O-CG 3.27Å; Q79-K83 PolarHBondContact O-N 3.41Å |
| 80 | K | 58.5 | Low | 61.7 | Low | 148 Ų | 148 | 113 Ų | 113 | 64% | 0.643 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -39.7 | 175.6 | -71.8 | -177.8 | -178 | -176.7 | 0 | 111.7 | S76 K77 E78 T84 | S76-K80 WeakPolarHBondContact O-CG 3.44Å; S76-K80 PolarHBondContact O-N 3.25Å; K77-K80 PolarHBondContact O-N 3.49Å; E78-K80 PolarHBondContact O-N 2.88Å; K80-T84 PolarHBondContact O-N 3.16Å; K80-T84 PolarHBondContact O-OG1 3.48Å |
| 81 | G | 58 | Low | 60.4 | Low | 39 Ų | 39 | 108.9 Ų | 108.9 | 40% | 0.402 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K77 E78 T84 K85 | K77-G81 PolarHBondContact O-N 3.44Å; E78-G81 PolarHBondContact O-N 3.28Å; G81-T84 WeakPolarHBondContact CA-OG1 3.48Å; G81-T84 PolarHBondContact O-OG1 2.92Å; G81-K85 WeakPolarHBondContact O-CB 3.25Å; G81-K85 PolarHBondContact O-N 2.9Å |
| 82 | S | 53.4 | Low | 59.1 | Low | 60 Ų | 60 | 111.1 Ų | 111.1 | 42% | 0.42 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.4 | -42.2 | 178.9 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | E78 Q79 T84 K85 K86 | E78-S82 WeakPolarHBondContact O-CB 3.29Å; E78-S82 PolarHBondContact O-N 2.87Å; Q79-S82 PolarHBondContact O-N 2.74Å; S82-T84 PolarHBondContact O-N 3.19Å; S82-K85 PolarHBondContact O-N 3.31Å; S82-K86 PolarHBondContact O-N 3.04Å |
| 83 | K | 54.4 | Low | 57.8 | Low | 139 Ų | 139 | 111.7 Ų | 111.7 | 60% | 0.604 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.1 | -40.5 | 176.1 | -72.8 | -179.1 | -177.9 | -178.3 | 0 | 112.4 | Q79 N87 | Q79-K83 WeakPolarHBondContact O-CG 3.27Å; Q79-K83 PolarHBondContact O-N 3.41Å; K83-N87 WeakPolarHBondContact O-CB 3.24Å; K83-N87 PolarHBondContact O-N 3.15Å; K83-N87 VanDerWaalsContact O-N 3.07Å |
| 84 | T | 53.2 | Low | 56.5 | Low | 95 Ų | 95 | 116.3 Ų | 116.3 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.4 | -36.2 | 176.2 | 45 | 0 | 0 | 0 | 0 | 112.2 | K80 G81 S82 K88 | K80-T84 PolarHBondContact O-N 3.16Å; K80-T84 PolarHBondContact O-OG1 3.48Å; G81-T84 WeakPolarHBondContact CA-OG1 3.48Å; G81-T84 PolarHBondContact O-OG1 2.92Å; S82-T84 PolarHBondContact O-N 3.19Å; T84-K88 PolarHBondContact O-N 2.92Å |
| 85 | K | 51.2 | Low | 55.1 | Low | 171 Ų | 171 | 123.1 Ų | 123.1 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.1 | -40.7 | 177 | -151.4 | 174.4 | -172.5 | -177.5 | 0 | 112.4 | G81 S82 K88 M89 | G81-K85 WeakPolarHBondContact O-CB 3.25Å; G81-K85 PolarHBondContact O-N 2.9Å; S82-K85 PolarHBondContact O-N 3.31Å; K85-K88 PolarHBondContact O-N 3.31Å; K85-M89 PolarHBondContact O-N 2.95Å; K85-M89 VanDerWaalsContact O-N 3.11Å |
| 86 | K | 51.5 | Low | 53.8 | Low | 133 Ų | 133 | 123.3 Ų | 123.3 | 58% | 0.578 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.6 | -46.7 | 173.7 | -74.5 | -171.8 | 178.5 | -173.5 | 0 | 111.8 | S82 K88 M89 Y90 | S82-K86 PolarHBondContact O-N 3.04Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 3.37Å; K86-M89 PolarHBondContact O-N 2.91Å; K86-M89 VanDerWaalsContact O-N 3.14Å; K86-Y90 VanDerWaalsContact O-CD2 3.25Å; K86-Y90 WeakPolarHBondContact O-CD2 3.41Å; K86-Y90 PolarHBondContact O-N 2.7Å; K86-Y90 VanDerWaalsContact O-N 3.1Å |
| 87 | N | 49.6 | Very low | 52.6 | Low | 121 Ų | 121 | 125.9 Ų | 125.9 | 65% | 0.647 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.8 | -33.8 | 179.3 | -77.5 | 1.8 | 0 | 0 | 0 | 112.7 | K83 S91 | K83-N87 WeakPolarHBondContact O-CB 3.24Å; K83-N87 PolarHBondContact O-N 3.15Å; K83-N87 VanDerWaalsContact O-N 3.07Å; N87-S91 PolarHBondContact O-N 2.8Å; N87-S91 VanDerWaalsContact O-N 3.16Å |
| 88 | K | 48.9 | Very low | 51.6 | Low | 152 Ų | 152 | 124.4 Ų | 124.4 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.1 | -38.4 | 174.6 | -125.4 | 174.7 | -175.8 | 177.9 | 0 | 112.4 | T84 K85 K86 S91 N92 | T84-K88 PolarHBondContact O-N 2.92Å; K85-K88 PolarHBondContact O-N 3.31Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 3.37Å; K88-S91 PolarHBondContact O-N 2.9Å; K88-S91 PolarHBondContact O-OG 2.91Å; K88-N92 PolarHBondContact O-N 2.79Å |
| 89 | M | 44.7 | Very low | 51.1 | Low | 123 Ų | 123 | 123.2 Ų | 123.2 | 61% | 0.606 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.1 | -45.9 | 178.5 | -163.7 | 164.4 | 170.8 | 0 | 0 | 111.4 | K85 K86 S91 N92 E93 | K85-M89 PolarHBondContact O-N 2.95Å; K85-M89 VanDerWaalsContact O-N 3.11Å; K86-M89 PolarHBondContact O-N 2.91Å; K86-M89 VanDerWaalsContact O-N 3.14Å; M89-S91 VanDerWaalsContact C-N 3.31Å; M89-S91 PolarHBondContact O-N 2.84Å; M89-N92 PolarHBondContact O-N 3.13Å; M89-E93 PolarHBondContact O-N 3.25Å |
| 90 | Y | 49.3 | Very low | 50.5 | Low | 162 Ų | 162 | 124.2 Ų | 124.2 | 64% | 0.635 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.6 | -29.9 | 175.2 | -76 | -73.6 | 0 | 0 | 0 | 113.7 | K86 | K86-Y90 VanDerWaalsContact O-CD2 3.25Å; K86-Y90 WeakPolarHBondContact O-CD2 3.41Å; K86-Y90 PolarHBondContact O-N 2.7Å; K86-Y90 VanDerWaalsContact O-N 3.1Å |
| 91 | S | 49.5 | Very low | 50 | Low | 60 Ų | 60 | 126 Ų | 126 | 42% | 0.42 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -75.8 | -24.2 | 178.4 | 76.9 | 0 | 0 | 0 | 0 | 114.1 | N87 K88 M89 | N87-S91 PolarHBondContact O-N 2.8Å; N87-S91 VanDerWaalsContact O-N 3.16Å; K88-S91 PolarHBondContact O-N 2.9Å; K88-S91 PolarHBondContact O-OG 2.91Å; M89-S91 VanDerWaalsContact C-N 3.31Å; M89-S91 PolarHBondContact O-N 2.84Å |
| 92 | N | 52.4 | Low | 49.4 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 65% | 0.647 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -87.2 | -29.2 | -179.6 | -82.2 | 3.8 | 0 | 0 | 0 | 112.4 | K88 M89 F94 | K88-N92 PolarHBondContact O-N 2.79Å; M89-N92 PolarHBondContact O-N 3.13Å; N92-F94 VanDerWaalsContact C-N 3.33Å |
| 93 | E | 49.5 | Very low | 48.9 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.6 | -24.4 | 177.5 | -74.1 | 179.3 | -177.4 | 0 | 0 | 113 | M89 K95 | M89-E93 PolarHBondContact O-N 3.25Å; E93-K95 VanDerWaalsContact C-N 3.32Å; E93-K95 PolarHBondContact O-N 2.75Å |
| 94 | F | 49.5 | Very low | 48.4 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 84% | 0.838 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 4.4 | -179.9 | -107.4 | -85.2 | 0 | 0 | 0 | 115.4 | N92 | N92-F94 VanDerWaalsContact C-N 3.33Š|
| 95 | K | 47.6 | Very low | 48.3 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 8 | -174.6 | -86.7 | -173.4 | 177 | -176.5 | 0 | 116.8 | E93 | E93-K95 VanDerWaalsContact C-N 3.32Å; E93-K95 PolarHBondContact O-N 2.75Å |
| 96 | S | 45.8 | Very low | 48.2 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -148.8 | 110.3 | 168.7 | 55.9 | 0 | 0 | 0 | 0 | 107.6 | ||
| 97 | T | 46.4 | Very low | 48 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | -152.2 | 128.8 | 62.8 | 45.3 | 0 | 0 | 0 | 0 | 110.2 | I99 | T97-I99 PolarHBondContact O-N 2.82Š| |||
| 98 | P | 48.1 | Very low | 47.9 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | trans | -61.8 | 114.3 | 164.5 | 26.1 | -30.4 | 0 | 0 | 0 | 107.8 | I100 | P98-I100 VanDerWaalsContact C-N 3.31Å; P98-I100 PolarHBondContact O-N 3.3Å | ||
| 99 | I | 51.9 | Low | 47.8 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | trans | -68.1 | 97.5 | 171.2 | -58.4 | 170.4 | 0 | 0 | 0 | 105.4 | T97 Y101 | T97-I99 PolarHBondContact O-N 2.82Å; I99-Y101 VanDerWaalsContact C-N 3.33Å; I99-Y101 HydrophobicContact CB-CD2 4.35Å; I99-Y101 HydrophobicContact CB-CE2 3.92Å; I99-Y101 HydrophobicContact CG2-CD1 4.48Å; I99-Y101 HydrophobicContact CG2-CD2 3.87Å; I99-Y101 HydrophobicContact CG2-CE1 4.18Å; I99-Y101 HydrophobicContact CG2-CE2 3.51Å; I99-Y101 HydrophobicContact CG2-CG 4.35Å; I99-Y101 WeakPolarHBondContact O-CD2 3.32Å; I99-Y101 PolarHBondContact O-N 3.14Å | ||
| 100 | I | 46.3 | Very low | 48 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -71 | 96.4 | 171.6 | -59.9 | 173.3 | 0 | 0 | 0 | 105.7 | P98 S102 | P98-I100 VanDerWaalsContact C-N 3.31Å; P98-I100 PolarHBondContact O-N 3.3Å; I100-S102 VanDerWaalsContact C-N 3.29Å; I100-S102 PolarHBondContact O-N 3.43Å | ||
| 101 | Y | 48.3 | Very low | 48 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | trans | -70.5 | 91.2 | 165.1 | -69.2 | -87.2 | 0 | 0 | 0 | 107.3 | I99 N103 | I99-Y101 VanDerWaalsContact C-N 3.33Å; I99-Y101 HydrophobicContact CB-CD2 4.35Å; I99-Y101 HydrophobicContact CB-CE2 3.92Å; I99-Y101 HydrophobicContact CG2-CD1 4.48Å; I99-Y101 HydrophobicContact CG2-CD2 3.87Å; I99-Y101 HydrophobicContact CG2-CE1 4.18Å; I99-Y101 HydrophobicContact CG2-CE2 3.51Å; I99-Y101 HydrophobicContact CG2-CG 4.35Å; I99-Y101 WeakPolarHBondContact O-CD2 3.32Å; I99-Y101 PolarHBondContact O-N 3.14Å; Y101-N103 PolarHBondContact O-N 2.88Å; Y101-N103 VanDerWaalsContact O-N 3.16Å | ||
| 102 | S | 45.2 | Very low | 47.9 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -71.2 | 104.8 | 165.2 | 56.5 | 0 | 0 | 0 | 0 | 107.5 | I100 V104 | I100-S102 VanDerWaalsContact C-N 3.29Å; I100-S102 PolarHBondContact O-N 3.43Å; S102-V104 PolarHBondContact O-N 3.32Å | ||
| 103 | N | 44.3 | Very low | 47.5 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -59.3 | 102.3 | 165.7 | -84.5 | -0.9 | 0 | 0 | 0 | 108.1 | Y101 I105 | Y101-N103 PolarHBondContact O-N 2.88Å; Y101-N103 VanDerWaalsContact O-N 3.16Å; N103-I105 PolarHBondContact O-N 2.9Å | ||
| 104 | V | 44 | Very low | 47.3 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -75.4 | 101.3 | 163.6 | -178.5 | 0 | 0 | 0 | 0 | 105.7 | S102 | S102-V104 PolarHBondContact O-N 3.32Š| ||
| 105 | I | 50.6 | Low | 47.1 | Very low | 221 Ų | 221 | 140.6 Ų | 140.6 | 100% | 1.133 | 76% | 0.757 | S | S | * | * | trans | -77.5 | 0 | 161.8 | -62.2 | 172.6 | 0 | 0 | 0 | 107.4 | N103 | N103-I105 PolarHBondContact O-N 2.9Š|
Retrieved 105 of 105 residues in 30.8 ms
(Link to these results)