| 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 | 37 | Very low | 34.2 | Very low | 241 Ų | 241 | 156 Ų | 156 | 100% | 1.187 | 85% | 0.849 | S | S | * | * | 0 | 126.6 | 0 | -79.5 | 167.1 | 106.6 | 0 | 0 | 107.4 | |||||
| 2 | D | 36.7 | Very low | 34.7 | Very low | 152 Ų | 152 | 157 Ų | 157 | 81% | 0.813 | 85% | 0.852 | S | S | * | * | trans | -66.9 | 152.2 | -157 | -52 | -81.6 | 0 | 0 | 0 | 114.8 | ||||
| 3 | S | 33.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 79% | 0.79 | 86% | 0.856 | S | S | * | * | -172.4 | 108.3 | 122 | -84.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 4 | R | 35.2 | Very low | 35.1 | Very low | 240 Ų | 240 | 150.7 Ų | 150.7 | 91% | 0.906 | 85% | 0.853 | S | S | * | * | trans | 43.6 | 105.6 | 131.5 | -67.2 | 180 | 177.5 | 176.2 | -0.7 | 118.2 | ||||
| 5 | C | 29.8 | Very low | 35.2 | Very low | 142 Ų | 142 | 157 Ų | 157 | 96% | 0.959 | 86% | 0.858 | S | S | * | * | trans | -96.5 | 120.9 | 154.5 | -145.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | S | 36.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 78% | 0.783 | 85% | 0.85 | S | S | * | * | trans | -100.5 | 131.1 | 175.3 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | S | 34.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 76% | 0.755 | 85% | 0.85 | S | S | * | * | trans | -19.2 | 140.9 | 162.3 | -165.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 8 | V | 35.8 | Very low | 35.7 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | -178.5 | 135.8 | 102.1 | 160.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 9 | D | 33.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 84% | 0.84 | S | S | * | * | trans | -41.7 | 154.6 | 175.2 | -128.5 | -48.7 | 0 | 0 | 0 | 118 | ||||
| 10 | S | 32.4 | Very low | 36 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 84% | 0.842 | S | S | * | * | 170.4 | 129.7 | 120.3 | -67.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 11 | R | 31.7 | Very low | 35.9 | Very low | 231 Ų | 231 | 142.2 Ų | 142.2 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | 103.1 | 88.8 | 151.8 | -53.6 | -165.5 | -174 | -161.1 | -0.4 | 118.5 | ||||
| 12 | L | 40 | Very low | 36.5 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | 12.6 | 119.6 | 119.8 | -83.7 | 148.2 | 0 | 0 | 0 | 116.8 | |||||
| 13 | T | 35.1 | Very low | 36.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | -162.9 | 132.2 | 125.9 | 20.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 14 | G | 40.4 | Very low | 37.3 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 156.6 | -166 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 15 | R | 35.8 | Very low | 37.8 | Very low | 245 Ų | 245 | 127.7 Ų | 127.7 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -159.5 | 119.1 | 150.7 | -154 | 168.7 | -173.7 | 177.5 | 0.8 | 107.4 | ||||
| 16 | G | 44.1 | Very low | 38.4 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -63.8 | 152.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 17 | P | 38.6 | Very low | 38.6 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | -87.1 | 140.4 | 151.7 | 34.7 | -25 | 0 | 0 | 0 | 107.2 | ||||
| 18 | G | 32.4 | Very low | 39 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | 121.4 | 126.5 | 36.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 19 | S | 35.1 | Very low | 39.2 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 52.2 | 98.4 | 151.8 | -174.3 | 0 | 0 | 0 | 0 | 116.9 | S21 | S19-S21 PolarHBondContact O-N 3.22Š| ||
| 20 | V | 41.7 | Very low | 39.4 | Very low | 145 Ų | 145 | 121 Ų | 121 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | trans | -48.2 | 100.8 | 159.9 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | S22 | V20-S22 PolarHBondContact O-N 2.87Å; V20-S22 VanDerWaalsContact O-N 3.12Å | ||
| 21 | S | 35.1 | Very low | 39.6 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -71.7 | 101.4 | 165.2 | 59.4 | 0 | 0 | 0 | 0 | 107.3 | S19 | S19-S21 PolarHBondContact O-N 3.22Š| ||
| 22 | S | 48 | Very low | 40.1 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | -51.1 | 139 | 157 | 38.4 | 0 | 0 | 0 | 0 | 109.9 | V20 | V20-S22 PolarHBondContact O-N 2.87Å; V20-S22 VanDerWaalsContact O-N 3.12Å | ||
| 23 | T | 45.1 | Very low | 40 | Very low | 100 Ų | 100 | 114.1 Ų | 114.1 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | trans | 83.4 | 118 | 175 | -0.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 24 | P | 43.4 | Very low | 40 | Very low | 107 Ų | 107 | 111 Ų | 111 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | -139.1 | 70.7 | 83.6 | 39.3 | -23.3 | 0 | 0 | 0 | 112.7 | A27 | P24-A27 HydrophobicContact CB-CB 4.31Š| |||
| 25 | L | 44.6 | Very low | 40.1 | Very low | 134 Ų | 134 | 110.1 Ų | 110.1 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -82.3 | -22.6 | 158.8 | -102.6 | 164.6 | 0 | 0 | 0 | 111.3 | R28 V29 | L25-R28 PolarHBondContact O-N 3.01Å; L25-V29 WeakPolarHBondContact O-CG2 3.4Å; L25-V29 PolarHBondContact O-N 2.5Å; L25-V29 VanDerWaalsContact O-N 3.12Å |
| 26 | S | 42.9 | Very low | 40.4 | Very low | 63 Ų | 63 | 105.7 Ų | 105.7 | 44% | 0.441 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -64.9 | -39.5 | 176.1 | -160.7 | 0 | 0 | 0 | 0 | 112.8 | R28 V29 E30 | S26-R28 VanDerWaalsContact C-N 3.25Å; S26-R28 PolarHBondContact O-N 2.88Å; S26-V29 PolarHBondContact O-N 3.16Å; S26-E30 WeakPolarHBondContact O-CB 3.34Å; S26-E30 PolarHBondContact O-N 3.09Å |
| 27 | A | 40 | Very low | 40.2 | Very low | 67 Ų | 67 | 111 Ų | 111 | 55% | 0.554 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.5 | -23.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P24 | P24-A27 HydrophobicContact CB-CB 4.31Å |
| 28 | R | 42.9 | Very low | 40.7 | Very low | 168 Ų | 168 | 113.7 Ų | 113.7 | 63% | 0.634 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -83.6 | -36.5 | 174.3 | -161.9 | 175 | 173.3 | 112.5 | -4.8 | 110.3 | L25 S26 S31 Y32 | L25-R28 PolarHBondContact O-N 3.01Å; S26-R28 VanDerWaalsContact C-N 3.25Å; S26-R28 PolarHBondContact O-N 2.88Å; R28-S31 PolarHBondContact O-N 2.87Å; R28-S31 PolarHBondContact O-OG 2.67Å; R28-Y32 HydrophobicContact CG-CE2 4.12Å; R28-Y32 WeakPolarHBondContact CG-OH 3.32Å; R28-Y32 PolarHBondContact NE-OH 3.33Å; R28-Y32 WeakPolarHBondContact O-CD2 3.35Å; R28-Y32 WeakPolarHBondContact O-CE2 3.2Å; R28-Y32 VanDerWaalsContact O-CZ 3.26Å |
| 29 | V | 41.5 | Very low | 41.4 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 45% | 0.448 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71 | -36.6 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | L25 S26 S31 Y32 E33 | L25-V29 WeakPolarHBondContact O-CG2 3.4Å; L25-V29 PolarHBondContact O-N 2.5Å; L25-V29 VanDerWaalsContact O-N 3.12Å; S26-V29 PolarHBondContact O-N 3.16Å; V29-S31 PolarHBondContact O-N 3.02Å; V29-Y32 PolarHBondContact O-N 3.36Å; V29-E33 PolarHBondContact O-N 3.16Å |
| 30 | E | 35.7 | Very low | 42.3 | Very low | 126 Ų | 126 | 113 Ų | 113 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -18.2 | 175.1 | -83.3 | 175.6 | 129.9 | 0 | 0 | 113.5 | S26 Y32 | S26-E30 WeakPolarHBondContact O-CB 3.34Å; S26-E30 PolarHBondContact O-N 3.09Å; E30-Y32 VanDerWaalsContact C-N 3.27Å |
| 31 | S | 37.7 | Very low | 43.4 | Very low | 74 Ų | 74 | 107.5 Ų | 107.5 | 52% | 0.517 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | -9.3 | 172.5 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | R28 V29 | R28-S31 PolarHBondContact O-N 2.87Å; R28-S31 PolarHBondContact O-OG 2.67Å; V29-S31 PolarHBondContact O-N 3.02Å |
| 32 | Y | 42.7 | Very low | 44.9 | Very low | 137 Ų | 137 | 108.7 Ų | 108.7 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.9 | -22.2 | 173.2 | -43.3 | -55.8 | 0 | 0 | 0 | 112.4 | R28 V29 E30 | R28-Y32 HydrophobicContact CG-CE2 4.12Å; R28-Y32 WeakPolarHBondContact CG-OH 3.32Å; R28-Y32 PolarHBondContact NE-OH 3.33Å; R28-Y32 WeakPolarHBondContact O-CD2 3.35Å; R28-Y32 WeakPolarHBondContact O-CE2 3.2Å; R28-Y32 VanDerWaalsContact O-CZ 3.26Å; V29-Y32 PolarHBondContact O-N 3.36Å; E30-Y32 VanDerWaalsContact C-N 3.27Å |
| 33 | E | 37.9 | Very low | 45.9 | Very low | 143 Ų | 143 | 104.7 Ų | 104.7 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -88.8 | 3.5 | 172.9 | -80.1 | -168.7 | 118.2 | 0 | 0 | 113.9 | V29 G35 | V29-E33 PolarHBondContact O-N 3.16Å; E33-G35 PolarHBondContact O-N 2.89Å |
| 34 | A | 34.8 | Very low | 47.3 | Very low | 82 Ų | 82 | 103.2 Ų | 103.2 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -78.3 | 1.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 35 | G | 42.5 | Very low | 48.9 | Very low | 60 Ų | 60 | 104.6 Ų | 104.6 | 62% | 0.619 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -92.5 | -2.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E33 | E33-G35 PolarHBondContact O-N 2.89Š|
| 36 | E | 41.3 | Very low | 50.4 | Low | 152 Ų | 152 | 102.2 Ų | 102.2 | 71% | 0.71 | 54% | 0.538 | S | S | * | . | trans | -108.1 | 16.9 | -174.8 | -81.7 | -155.5 | 110.7 | 0 | 0 | 115.4 | K38 | E36-K38 PolarHBondContact O-N 3.45Š| ||
| 37 | K | 41 | Very low | 52.1 | Low | 184 Ų | 184 | 100.4 Ų | 100.4 | 80% | 0.8 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -69.1 | 95.4 | 144 | -65.7 | -177.3 | -173.9 | 174.7 | 0 | 104.4 | C39 | K37-C39 PolarHBondContact O-N 3.04Š|
| 38 | K | 49.1 | Very low | 53.8 | Low | 187 Ų | 187 | 99.8 Ų | 99.8 | 81% | 0.813 | 51% | 0.514 | S | S | * | . | trans | -54 | 78.5 | 163.2 | -77.6 | 175.8 | 178.6 | 169.5 | 0 | 107.3 | E36 I40 | E36-K38 PolarHBondContact O-N 3.45Å; K38-I40 PolarHBondContact O-N 3.5Å | ||
| 39 | C | 47.2 | Very low | 55.7 | Low | 97 Ų | 97 | 97.4 Ų | 97.4 | 66% | 0.655 | 51% | 0.513 | S | S | * | . | trans | -65.4 | 92 | 165.5 | -81.2 | 0 | 0 | 0 | 0 | 102.9 | K37 S41 | K37-C39 PolarHBondContact O-N 3.04Å; C39-S41 PolarHBondContact O-N 2.63Å | ||
| 40 | I | 53.5 | Low | 57.6 | Low | 71 Ų | 71 | 96 Ų | 96 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | trans | -39.8 | 118.7 | 162.7 | -172.8 | 170.1 | 0 | 0 | 0 | 106.1 | K38 D42 R44 R45 | K38-I40 PolarHBondContact O-N 3.5Å; I40-D42 PolarHBondContact O-N 3.3Å; I40-R44 HydrophobicContact CD1-CB 4.4Å; I40-R44 HydrophobicContact CG1-CB 3.88Å; I40-R45 HydrophobicContact CG2-CG 3.79Å; I40-R45 VanDerWaalsContact CG2-CZ 3.45Å | ||
| 41 | S | 63.8 | Low | 59.8 | Low | 30 Ų | 30 | 90 Ų | 90 | 21% | 0.21 | 47% | 0.473 | C | S | . | . | trans | -53.7 | 138.3 | -170 | 55.6 | 0 | 0 | 0 | 0 | 108.7 | C39 V43 R44 R45 | C39-S41 PolarHBondContact O-N 2.63Å; S41-V43 PolarHBondContact O-N 3.24Å; S41-R44 WeakPolarHBondContact O-CB 3.3Å; S41-R44 PolarHBondContact O-N 3.25Å; S41-R44 WeakPolarHBondContact OG-CD 3.36Å; S41-R44 VanDerWaalsContact OG-CG 3.29Å; S41-R44 WeakPolarHBondContact OG-CG 3.33Å; S41-R45 PolarHBondContact O-N 3.17Å | ||
| 42 | D | 66.4 | Low | 62.2 | Low | 125 Ų | 125 | 89 Ų | 89 | 67% | 0.668 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -54.3 | -26.2 | -177.2 | -76.1 | -32.6 | 0 | 0 | 0 | 112.1 | I40 R45 T46 | I40-D42 PolarHBondContact O-N 3.3Å; D42-R45 PolarHBondContact O-N 3.04Å; D42-T46 WeakPolarHBondContact O-CB 3.49Å; D42-T46 PolarHBondContact O-N 3.45Å; D42-T46 PolarHBondContact O-OG1 2.91Å |
| 43 | V | 70.4 | Confident | 64.3 | Low | 17 Ų | 17 | 87.1 Ų | 87.1 | 10% | 0.103 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -55.2 | -50.4 | 169.9 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | S41 T46 F47 V167 Q170 | S41-V43 PolarHBondContact O-N 3.24Å; V43-T46 PolarHBondContact O-N 3.09Å; V43-F47 WeakPolarHBondContact O-CB 3.24Å; V43-F47 PolarHBondContact O-N 3.36Å; V43-V167 HydrophobicContact CG1-CB 4.1Å; V43-V167 HydrophobicContact CG1-CG1 4.35Å; V43-V167 HydrophobicContact CG1-CG2 3.58Å; V43-Q170 HydrophobicContact CG2-CB 4.42Å; V43-Q170 HydrophobicContact CG2-CG 3.92Å; V43-Q170 VanDerWaalsContact CG2-NE2 3.27Å |
| 44 | R | 73.1 | Confident | 66.7 | Low | 70 Ų | 70 | 80.4 Ų | 80.4 | 26% | 0.264 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.8 | -35.1 | -178.6 | -68.2 | 172.8 | -179.4 | -146.8 | 5.3 | 112.5 | I40 S41 C48 Y107 E171 | I40-R44 HydrophobicContact CD1-CB 4.4Å; I40-R44 HydrophobicContact CG1-CB 3.88Å; S41-R44 WeakPolarHBondContact O-CB 3.3Å; S41-R44 PolarHBondContact O-N 3.25Å; S41-R44 WeakPolarHBondContact OG-CD 3.36Å; S41-R44 VanDerWaalsContact OG-CG 3.29Å; S41-R44 WeakPolarHBondContact OG-CG 3.33Å; R44-C48 WeakPolarHBondContact O-CB 3.29Å; R44-C48 PolarHBondContact O-N 3.17Å; R44-Y107 HydrophobicContact CB-CE2 4.29Å; R44-Y107 HydrophobicContact CG-CE2 3.96Å; R44-E171 IonicContact CZ-OE1 3.53Å; R44-E171 IonicContact NE-OE1 3.17Å; R44-E171 PolarHBondContact NE-OE1 3.42Å; R44-E171 IonicContact NH2-OE1 2.55Å; R44-E171 PolarHBondContact NH2-OE1 3.35Å |
| 45 | R | 77.1 | Confident | 69.3 | Low | 136 Ų | 136 | 78.1 Ų | 78.1 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 173.9 | -66.1 | -172.3 | -154.2 | -135.2 | 1.5 | 111 | I40 S41 D42 F47 C48 L49 | I40-R45 HydrophobicContact CG2-CG 3.79Å; I40-R45 VanDerWaalsContact CG2-CZ 3.45Å; S41-R45 PolarHBondContact O-N 3.17Å; D42-R45 PolarHBondContact O-N 3.04Å; R45-F47 VanDerWaalsContact C-N 3.32Å; R45-F47 PolarHBondContact O-N 3.21Å; R45-C48 PolarHBondContact O-N 2.9Å; R45-L49 VanDerWaalsContact O-CB 3.26Å; R45-L49 WeakPolarHBondContact O-CB 3.13Å; R45-L49 PolarHBondContact O-N 3.44Å |
| 46 | T | 77.8 | Confident | 71.5 | Confident | 84 Ų | 84 | 80.6 Ų | 80.6 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 179 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | D42 V43 L49 F50 | D42-T46 WeakPolarHBondContact O-CB 3.49Å; D42-T46 PolarHBondContact O-N 3.45Å; D42-T46 PolarHBondContact O-OG1 2.91Å; V43-T46 PolarHBondContact O-N 3.09Å; T46-L49 PolarHBondContact O-N 3.23Å; T46-F50 WeakPolarHBondContact O-CB 3.44Å; T46-F50 PolarHBondContact O-N 3.46Å |
| 47 | F | 78.1 | Confident | 73.8 | Confident | 24 Ų | 24 | 76.6 Ų | 76.6 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.1 | -52.4 | 174.5 | 172 | -109.5 | 0 | 0 | 0 | 112.4 | V43 R45 L49 F50 V51 L103 L163 V167 | V43-F47 WeakPolarHBondContact O-CB 3.24Å; V43-F47 PolarHBondContact O-N 3.36Å; R45-F47 VanDerWaalsContact C-N 3.32Å; R45-F47 PolarHBondContact O-N 3.21Å; F47-L49 VanDerWaalsContact C-N 3.3Å; F47-L49 PolarHBondContact O-N 3.09Å; F47-F50 PolarHBondContact O-N 3.13Å; F47-F50 VanDerWaalsContact O-N 3.14Å; F47-V51 HydrophobicContact CE1-CG2 4.4Å; F47-V51 HydrophobicContact CE2-CG2 3.8Å; F47-V51 HydrophobicContact CZ-CG2 3.76Å; F47-V51 PolarHBondContact O-N 2.82Å; F47-L103 HydrophobicContact CZ-CB 4.18Å; F47-L103 HydrophobicContact CZ-CD2 4.31Å; F47-L163 HydrophobicContact CD2-CD2 3.73Å; F47-L163 HydrophobicContact CD2-CG 4.1Å; F47-L163 HydrophobicContact CE2-CD1 3.94Å; F47-L163 HydrophobicContact CE2-CD2 3.16Å; F47-L163 HydrophobicContact CE2-CG 3.49Å; F47-L163 VanDerWaalsContact CE2-CG 3.49Å; F47-L163 HydrophobicContact CZ-CD1 4.47Å; F47-L163 HydrophobicContact CZ-CD2 3.64Å; F47-L163 HydrophobicContact CZ-CG 4.3Å; F47-V167 HydrophobicContact CB-CG2 4.22Å |
| 48 | C | 76.3 | Confident | 76.1 | Confident | 55 Ų | 55 | 68 Ų | 68 | 37% | 0.372 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | R44 R45 F50 V51 T52 | R44-C48 WeakPolarHBondContact O-CB 3.29Å; R44-C48 PolarHBondContact O-N 3.17Å; R45-C48 PolarHBondContact O-N 2.9Å; C48-F50 VanDerWaalsContact C-N 3.32Å; C48-F50 PolarHBondContact O-N 3.38Å; C48-V51 PolarHBondContact O-N 3.11Å; C48-T52 WeakPolarHBondContact O-CB 3.47Å; C48-T52 VanDerWaalsContact O-CG2 3.3Å; C48-T52 WeakPolarHBondContact O-CG2 3.22Å; C48-T52 PolarHBondContact O-N 2.84Å; C48-T52 PolarHBondContact O-OG1 2.77Å |
| 49 | L | 82.1 | Confident | 78 | Confident | 117 Ų | 117 | 60.4 Ų | 60.4 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 175.1 | -168.6 | 152 | 0 | 0 | 0 | 111.2 | R45 T46 F47 T52 F53 | R45-L49 VanDerWaalsContact O-CB 3.26Å; R45-L49 WeakPolarHBondContact O-CB 3.13Å; R45-L49 PolarHBondContact O-N 3.44Å; T46-L49 PolarHBondContact O-N 3.23Å; F47-L49 VanDerWaalsContact C-N 3.3Å; F47-L49 PolarHBondContact O-N 3.09Å; L49-T52 WeakPolarHBondContact CA-OG1 3.43Å; L49-T52 PolarHBondContact O-OG1 3.15Å; L49-F53 WeakPolarHBondContact O-CB 2.92Å; L49-F53 PolarHBondContact O-N 3.43Å |
| 50 | F | 81.8 | Confident | 80.1 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 20% | 0.197 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | 178.3 | -163.6 | -101.1 | 0 | 0 | 0 | 112.5 | T46 F47 C48 T52 F53 D54 I158 E159 L162 | T46-F50 WeakPolarHBondContact O-CB 3.44Å; T46-F50 PolarHBondContact O-N 3.46Å; F47-F50 PolarHBondContact O-N 3.13Å; F47-F50 VanDerWaalsContact O-N 3.14Å; C48-F50 VanDerWaalsContact C-N 3.32Å; C48-F50 PolarHBondContact O-N 3.38Å; F50-T52 PolarHBondContact O-N 2.97Å; F50-F53 PolarHBondContact O-N 2.64Å; F50-D54 WeakPolarHBondContact O-CB 3.34Å; F50-D54 PolarHBondContact O-N 2.66Å; F50-I158 HydrophobicContact CE1-CB 4.45Å; F50-I158 HydrophobicContact CE1-CG2 3.9Å; F50-I158 HydrophobicContact CE2-CG2 4.25Å; F50-I158 HydrophobicContact CZ-CB 4.14Å; F50-I158 HydrophobicContact CZ-CG2 3.37Å; F50-E159 HydrophobicContact CD1-CB 4.48Å; F50-E159 HydrophobicContact CD1-CG 3.67Å; F50-E159 HydrophobicContact CE1-CB 4.14Å; F50-E159 HydrophobicContact CE1-CG 3.39Å; F50-L162 HydrophobicContact CD1-CD1 3.6Å; F50-L162 HydrophobicContact CD2-CD1 3.74Å; F50-L162 HydrophobicContact CE1-CD1 3.59Å; F50-L162 HydrophobicContact CE2-CD1 3.73Å; F50-L162 HydrophobicContact CG-CD1 3.69Å; F50-L162 HydrophobicContact CZ-CD1 3.68Å |
| 51 | V | 82.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 175.8 | 139.9 | 0 | 0 | 0 | 0 | 112.7 | F47 C48 L55 F100 L103 I104 | F47-V51 HydrophobicContact CE1-CG2 4.4Å; F47-V51 HydrophobicContact CE2-CG2 3.8Å; F47-V51 HydrophobicContact CZ-CG2 3.76Å; F47-V51 PolarHBondContact O-N 2.82Å; C48-V51 PolarHBondContact O-N 3.11Å; V51-L55 PolarHBondContact O-N 2.96Å; V51-F100 HydrophobicContact CG1-CD2 3.39Å; V51-F100 HydrophobicContact CG1-CE2 3.52Å; V51-F100 HydrophobicContact CG1-CG 4.48Å; V51-L103 HydrophobicContact CG2-CB 3.92Å; V51-L103 HydrophobicContact CG2-CD1 3.4Å; V51-L103 VanDerWaalsContact CG2-CD1 3.4Å; V51-L103 HydrophobicContact CG2-CG 4.24Å; V51-I104 HydrophobicContact CG1-CD1 4.2Å |
| 52 | T | 86.3 | Confident | 82.8 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.6 | -41.2 | 176.6 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | C48 L49 F50 D54 L55 L56 F100 | C48-T52 WeakPolarHBondContact O-CB 3.47Å; C48-T52 VanDerWaalsContact O-CG2 3.3Å; C48-T52 WeakPolarHBondContact O-CG2 3.22Å; C48-T52 PolarHBondContact O-N 2.84Å; C48-T52 PolarHBondContact O-OG1 2.77Å; L49-T52 WeakPolarHBondContact CA-OG1 3.43Å; L49-T52 PolarHBondContact O-OG1 3.15Å; F50-T52 PolarHBondContact O-N 2.97Å; T52-D54 VanDerWaalsContact C-N 3.33Å; T52-D54 PolarHBondContact O-N 2.68Å; T52-L55 PolarHBondContact O-N 3.44Å; T52-L56 VanDerWaalsContact O-CG 3.28Å; T52-L56 WeakPolarHBondContact O-CG 3.27Å; T52-L56 PolarHBondContact O-N 3.22Å; T52-F100 HydrophobicContact CG2-CE2 3.76Å; T52-F100 HydrophobicContact CG2-CZ 4.43Å |
| 53 | F | 87.5 | Confident | 83.7 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.4 | 171.8 | -101.3 | 0 | 0 | 0 | 112.1 | L49 F50 L56 F57 | L49-F53 WeakPolarHBondContact O-CB 2.92Å; L49-F53 PolarHBondContact O-N 3.43Å; F50-F53 PolarHBondContact O-N 2.64Å; F53-L56 PolarHBondContact O-N 2.98Å; F53-F57 HydrophobicContact CZ-CD2 4.2Å; F53-F57 HydrophobicContact CZ-CG 4.49Å; F53-F57 WeakPolarHBondContact O-CB 3.41Å; F53-F57 PolarHBondContact O-N 3.35Å |
| 54 | D | 87.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -52.1 | 175.8 | 167.5 | 86.3 | 0 | 0 | 0 | 112.4 | F50 T52 L56 F57 V58 R99 L155 E159 | F50-D54 WeakPolarHBondContact O-CB 3.34Å; F50-D54 PolarHBondContact O-N 2.66Å; T52-D54 VanDerWaalsContact C-N 3.33Å; T52-D54 PolarHBondContact O-N 2.68Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 3.26Å; D54-F57 PolarHBondContact O-N 2.9Å; D54-V58 WeakPolarHBondContact O-CG2 3.32Å; D54-V58 PolarHBondContact O-N 3.43Å; D54-R99 VanDerWaalsContact CG-CZ 3.44Å; D54-R99 IonicContact OD1-CZ 3.26Å; D54-R99 VanDerWaalsContact OD1-CZ 3.26Å; D54-R99 IonicContact OD1-NH1 3.28Å; D54-R99 PolarHBondContact OD1-NH1 3.22Å; D54-R99 IonicContact OD1-NH2 2.62Å; D54-R99 PolarHBondContact OD1-NH2 3.06Å; D54-R99 IonicContact OD2-CZ 2.66Å; D54-R99 IonicContact OD2-NE 3.66Å; D54-R99 IonicContact OD2-NH1 2.64Å; D54-R99 IonicContact OD2-NH2 3.7Å; D54-R99 PolarHBondContact OD2-NH2 3.3Å; D54-L155 WeakPolarHBondContact OD1-CB 3.37Å; D54-L155 WeakPolarHBondContact OD1-CD1 3.42Å; D54-E159 WeakPolarHBondContact CB-OE1 3.45Å |
| 55 | L | 89.1 | Confident | 84.9 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 179 | 178 | 139.8 | 0 | 0 | 0 | 110.5 | V51 T52 F57 T59 V97 F100 | V51-L55 PolarHBondContact O-N 2.96Å; T52-L55 PolarHBondContact O-N 3.44Å; L55-F57 VanDerWaalsContact C-N 3.32Å; L55-F57 PolarHBondContact O-N 2.81Å; L55-T59 VanDerWaalsContact O-CB 3.27Å; L55-T59 WeakPolarHBondContact O-CB 3.47Å; L55-T59 PolarHBondContact O-N 2.81Å; L55-T59 PolarHBondContact O-OG1 2.96Å; L55-V97 HydrophobicContact CD1-CG2 4.13Å; L55-F100 HydrophobicContact CB-CB 4.47Å; L55-F100 HydrophobicContact CB-CD2 4.34Å; L55-F100 HydrophobicContact CD1-CB 3.52Å; L55-F100 HydrophobicContact CD1-CD1 4.09Å; L55-F100 HydrophobicContact CD1-CD2 4.15Å; L55-F100 HydrophobicContact CD1-CG 3.66Å |
| 56 | L | 90.5 | Very high | 85 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 58% | 0.581 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.7 | -40.1 | 176.6 | -69.7 | 176.7 | 0 | 0 | 0 | 111.8 | T52 F53 D54 T59 L60 | T52-L56 VanDerWaalsContact O-CG 3.28Å; T52-L56 WeakPolarHBondContact O-CG 3.27Å; T52-L56 PolarHBondContact O-N 3.22Å; F53-L56 PolarHBondContact O-N 2.98Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 3.26Å; L56-T59 PolarHBondContact O-N 3.3Å; L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 PolarHBondContact O-N 3.43Å |
| 57 | F | 89.6 | Confident | 85.3 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.4 | -43.7 | -178.7 | -166 | -107.9 | 0 | 0 | 0 | 112.3 | F53 D54 L55 T59 L60 L61 V151 L155 | F53-F57 HydrophobicContact CZ-CD2 4.2Å; F53-F57 HydrophobicContact CZ-CG 4.49Å; F53-F57 WeakPolarHBondContact O-CB 3.41Å; F53-F57 PolarHBondContact O-N 3.35Å; D54-F57 PolarHBondContact O-N 2.9Å; L55-F57 VanDerWaalsContact C-N 3.32Å; L55-F57 PolarHBondContact O-N 2.81Å; F57-T59 VanDerWaalsContact C-N 3.33Å; F57-L60 PolarHBondContact O-N 3.46Å; F57-L61 HydrophobicContact CD1-CD1 3.73Å; F57-L61 HydrophobicContact CD1-CG 4.41Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE1-CG 4.35Å; F57-L61 HydrophobicContact CZ-CD1 4.2Å; F57-L61 WeakPolarHBondContact O-CG 3.47Å; F57-L61 PolarHBondContact O-N 3.32Å; F57-V151 HydrophobicContact CD1-CG1 3.75Å; F57-V151 HydrophobicContact CE1-CG1 3.39Å; F57-L155 HydrophobicContact CB-CD1 4.45Å; F57-L155 HydrophobicContact CD1-CD1 3.6Å; F57-L155 HydrophobicContact CE1-CD1 4.3Å; F57-L155 HydrophobicContact CG-CD1 4.44Å |
| 58 | V | 89 | Confident | 85.4 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | D54 L60 L61 W62 I92 A96 L155 | D54-V58 WeakPolarHBondContact O-CG2 3.32Å; D54-V58 PolarHBondContact O-N 3.43Å; V58-L60 PolarHBondContact O-N 2.87Å; V58-L61 PolarHBondContact O-N 2.86Å; V58-W62 WeakPolarHBondContact O-CB 3.45Å; V58-W62 PolarHBondContact O-N 3.36Å; V58-I92 HydrophobicContact CG1-CG2 4.15Å; V58-A96 HydrophobicContact CB-CB 3.89Å; V58-A96 HydrophobicContact CG1-CB 3.7Å; V58-A96 HydrophobicContact CG2-CB 4.19Å; V58-L155 HydrophobicContact CG2-CD1 4.27Å |
| 59 | T | 89.6 | Confident | 85.2 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 17% | 0.172 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.5 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | L55 L56 F57 W62 I63 F93 | L55-T59 VanDerWaalsContact O-CB 3.27Å; L55-T59 WeakPolarHBondContact O-CB 3.47Å; L55-T59 PolarHBondContact O-N 2.81Å; L55-T59 PolarHBondContact O-OG1 2.96Å; L56-T59 PolarHBondContact O-N 3.3Å; F57-T59 VanDerWaalsContact C-N 3.33Å; T59-W62 PolarHBondContact O-N 3.38Å; T59-I63 HydrophobicContact CG2-CD1 3.91Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.29Å; T59-I63 PolarHBondContact O-N 2.92Å; T59-F93 HydrophobicContact CG2-CD2 4.3Å; T59-F93 HydrophobicContact CG2-CE2 3.87Å; T59-F93 VanDerWaalsContact OG1-CE2 3.31Å; T59-F93 WeakPolarHBondContact OG1-CE2 3.37Å |
| 60 | L | 90.6 | Very high | 84.7 | Confident | 91 Ų | 91 | 49.1 Ų | 49.1 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 178.7 | -179.6 | 68.2 | 0 | 0 | 0 | 111.1 | L56 F57 V58 W62 I63 I64 | L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 PolarHBondContact O-N 3.43Å; F57-L60 PolarHBondContact O-N 3.46Å; V58-L60 PolarHBondContact O-N 2.87Å; L60-W62 VanDerWaalsContact C-N 3.32Å; L60-W62 PolarHBondContact O-N 3.42Å; L60-I63 PolarHBondContact O-N 3.25Å; L60-I64 HydrophobicContact CD1-CD1 4.15Å; L60-I64 HydrophobicContact CD1-CG1 4.49Å; L60-I64 HydrophobicContact CD2-CD1 4.45Å; L60-I64 HydrophobicContact CG-CD1 3.83Å; L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 3.2Å |
| 61 | L | 87.9 | Confident | 84.4 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 177.5 | -75.6 | 173.3 | 0 | 0 | 0 | 111.4 | F57 V58 I64 E65 L147 L148 V151 | F57-L61 HydrophobicContact CD1-CD1 3.73Å; F57-L61 HydrophobicContact CD1-CG 4.41Å; F57-L61 HydrophobicContact CE1-CD1 3.59Å; F57-L61 HydrophobicContact CE1-CG 4.35Å; F57-L61 HydrophobicContact CZ-CD1 4.2Å; F57-L61 WeakPolarHBondContact O-CG 3.47Å; F57-L61 PolarHBondContact O-N 3.32Å; V58-L61 PolarHBondContact O-N 2.86Å; L61-I64 PolarHBondContact O-N 2.96Å; L61-E65 PolarHBondContact O-N 3.15Å; L61-L147 HydrophobicContact CD2-CD2 4.41Å; L61-L148 HydrophobicContact CB-CD1 3.84Å; L61-L148 HydrophobicContact CB-CG 4.14Å; L61-L148 WeakPolarHBondContact O-CD1 3.44Å; L61-V151 HydrophobicContact CD1-CB 3.97Å; L61-V151 HydrophobicContact CD1-CG1 3.54Å; L61-V151 HydrophobicContact CD1-CG2 4.28Å |
| 62 | W | 86.6 | Confident | 84.2 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58 | -48.1 | 175.3 | 177.4 | 50.8 | 0 | 0 | 0 | 111.7 | V58 T59 L60 I64 E65 L66 L76 E79 F90 F93 L148 | V58-W62 WeakPolarHBondContact O-CB 3.45Å; V58-W62 PolarHBondContact O-N 3.36Å; T59-W62 PolarHBondContact O-N 3.38Å; L60-W62 VanDerWaalsContact C-N 3.32Å; L60-W62 PolarHBondContact O-N 3.42Å; W62-I64 VanDerWaalsContact C-N 3.34Å; W62-I64 PolarHBondContact O-N 3.22Å; W62-E65 PolarHBondContact O-N 3.41Å; W62-L66 HydrophobicContact CD2-CD1 4.23Å; W62-L66 HydrophobicContact CH2-CD1 4.46Å; W62-L66 HydrophobicContact CZ2-CD1 3.84Å; W62-L66 WeakPolarHBondContact O-CG 3.28Å; W62-L66 PolarHBondContact O-N 3.5Å; W62-L76 HydrophobicContact CH2-CD1 4.22Å; W62-E79 PolarHBondContact NE1-OE2 3.18Å; W62-F90 HydrophobicContact CH2-CD2 4.45Å; W62-F90 HydrophobicContact CZ2-CD2 4.17Å; W62-F93 HydrophobicContact CD2-CB 4.02Å; W62-F93 HydrophobicContact CD2-CG 4.23Å; W62-F93 HydrophobicContact CE3-CB 4.12Å; W62-F93 HydrophobicContact CE3-CD1 4.33Å; W62-F93 AromaticContact CE3-CD2 3.82Å; W62-F93 HydrophobicContact CE3-CD2 3.82Å; W62-F93 HydrophobicContact CE3-CE2 4.34Å; W62-F93 AromaticContact CE3-CG 3.81Å; W62-F93 HydrophobicContact CE3-CG 3.81Å; W62-F93 HydrophobicContact CG-CB 4.29Å; W62-F93 HydrophobicContact CH2-CD1 4.42Å; W62-F93 HydrophobicContact CZ3-CD1 4.09Å; W62-F93 HydrophobicContact CZ3-CD2 4.19Å; W62-F93 HydrophobicContact CZ3-CE1 4.29Å; W62-F93 HydrophobicContact CZ3-CE2 4.38Å; W62-F93 HydrophobicContact CZ3-CG 4.04Å; W62-F93 HydrophobicContact CZ3-CZ 4.43Å; W62-L148 HydrophobicContact CB-CD2 4.18Å |
| 63 | I | 85.4 | Confident | 83.6 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 177.4 | -67.8 | 168.9 | 0 | 0 | 0 | 112.1 | T59 L60 L66 N67 | T59-I63 HydrophobicContact CG2-CD1 3.91Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.29Å; T59-I63 PolarHBondContact O-N 2.92Å; L60-I63 PolarHBondContact O-N 3.25Å; I63-L66 PolarHBondContact O-N 3.07Å; I63-N67 WeakPolarHBondContact O-CB 3.21Å; I63-N67 PolarHBondContact O-N 3.45Å |
| 64 | I | 86.3 | Confident | 82.8 | Confident | 60 Ų | 60 | 56 Ų | 56 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 177.5 | -69.8 | 166.6 | 0 | 0 | 0 | 110.8 | L60 L61 W62 L66 N67 V68 F144 | L60-I64 HydrophobicContact CD1-CD1 4.15Å; L60-I64 HydrophobicContact CD1-CG1 4.49Å; L60-I64 HydrophobicContact CD2-CD1 4.45Å; L60-I64 HydrophobicContact CG-CD1 3.83Å; L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 3.2Å; L61-I64 PolarHBondContact O-N 2.96Å; W62-I64 VanDerWaalsContact C-N 3.34Å; W62-I64 PolarHBondContact O-N 3.22Å; I64-L66 VanDerWaalsContact C-N 3.34Å; I64-N67 WeakPolarHBondContact O-CB 3.31Å; I64-N67 PolarHBondContact O-N 3.09Å; I64-N67 VanDerWaalsContact O-N 3.17Å; I64-V68 HydrophobicContact CG2-CG2 4.4Å; I64-V68 WeakPolarHBondContact O-CG2 3.37Å; I64-V68 PolarHBondContact O-N 2.92Å; I64-F144 HydrophobicContact CG2-CD1 4.45Å; I64-F144 HydrophobicContact CG2-CE1 3.85Å; I64-F144 HydrophobicContact CG2-CZ 4.3Å |
| 65 | E | 81.3 | Confident | 82.1 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.056 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 175 | -173.2 | -75.2 | 143.9 | 0 | 0 | 110.7 | L61 W62 N67 V68 S69 F89 L148 | L61-E65 PolarHBondContact O-N 3.15Å; W62-E65 PolarHBondContact O-N 3.41Å; E65-N67 PolarHBondContact O-N 3.14Å; E65-V68 PolarHBondContact O-N 3.35Å; E65-S69 WeakPolarHBondContact O-CB 3.3Å; E65-S69 PolarHBondContact O-N 3.36Å; E65-S69 PolarHBondContact O-OG 3.38Å; E65-S69 PolarHBondContact OE1-OG 2.96Å; E65-F89 HydrophobicContact CG-CD2 3.81Å; E65-F89 HydrophobicContact CG-CE2 3.6Å; E65-F89 WeakPolarHBondContact OE2-CD2 3.25Å; E65-L148 HydrophobicContact CB-CD1 3.78Å; E65-L148 HydrophobicContact CG-CD1 4.3Å |
| 66 | L | 80.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -34.1 | 175.1 | -65.9 | 176.6 | 0 | 0 | 0 | 113.1 | W62 I63 I64 V72 Q75 L76 E79 | W62-L66 HydrophobicContact CD2-CD1 4.23Å; W62-L66 HydrophobicContact CH2-CD1 4.46Å; W62-L66 HydrophobicContact CZ2-CD1 3.84Å; W62-L66 WeakPolarHBondContact O-CG 3.28Å; W62-L66 PolarHBondContact O-N 3.5Å; I63-L66 PolarHBondContact O-N 3.07Å; I64-L66 VanDerWaalsContact C-N 3.34Å; L66-V72 HydrophobicContact CB-CG1 4.07Å; L66-V72 HydrophobicContact CD1-CG1 4.39Å; L66-Q75 HydrophobicContact CD2-CB 3.75Å; L66-Q75 HydrophobicContact CD2-CG 3.97Å; L66-L76 HydrophobicContact CD1-CB 4.35Å; L66-L76 HydrophobicContact CD1-CD1 4.18Å; L66-E79 HydrophobicContact CD2-CG 4.16Å; L66-E79 WeakPolarHBondContact CD2-OE2 3.49Å |
| 67 | N | 83.8 | Confident | 80.6 | Confident | 101 Ų | 101 | 61.1 Ų | 61.1 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 177 | -171.3 | -99.2 | 0 | 0 | 0 | 112 | I63 I64 E65 S69 V72 | I63-N67 WeakPolarHBondContact O-CB 3.21Å; I63-N67 PolarHBondContact O-N 3.45Å; I64-N67 WeakPolarHBondContact O-CB 3.31Å; I64-N67 PolarHBondContact O-N 3.09Å; I64-N67 VanDerWaalsContact O-N 3.17Å; E65-N67 PolarHBondContact O-N 3.14Å; N67-S69 VanDerWaalsContact C-N 3.33Å; N67-V72 HydrophobicContact CB-CG2 4.23Å |
| 68 | V | 79.9 | Confident | 79.6 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.6 | -31.8 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | I64 E65 G70 | I64-V68 HydrophobicContact CG2-CG2 4.4Å; I64-V68 WeakPolarHBondContact O-CG2 3.37Å; I64-V68 PolarHBondContact O-N 2.92Å; E65-V68 PolarHBondContact O-N 3.35Å; V68-G70 PolarHBondContact O-N 3.48Å |
| 69 | S | 72.6 | Confident | 78.8 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.5 | -176.3 | -72.9 | 0 | 0 | 0 | 0 | 115.3 | E65 N67 Q75 | E65-S69 WeakPolarHBondContact O-CB 3.3Å; E65-S69 PolarHBondContact O-N 3.36Å; E65-S69 PolarHBondContact O-OG 3.38Å; E65-S69 PolarHBondContact OE1-OG 2.96Å; N67-S69 VanDerWaalsContact C-N 3.33Å; S69-Q75 PolarHBondContact O-NE2 2.96Å |
| 70 | G | 71.2 | Confident | 78.1 | Confident | 70 Ų | 70 | 67 Ų | 67 | 72% | 0.722 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.7 | 3.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | V68 | V68-G70 PolarHBondContact O-N 3.48Š|
| 71 | G | 75 | Confident | 76.9 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 27% | 0.268 | 38% | 0.383 | S | S | . | . | trans | 140.7 | 125.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q73 V74 Q75 | G71-Q73 PolarHBondContact O-N 2.76Å; G71-V74 PolarHBondContact O-N 3.43Å; G71-Q75 WeakPolarHBondContact O-CB 3.23Å; G71-Q75 PolarHBondContact O-N 2.83Å; G71-Q75 VanDerWaalsContact O-N 3.15Å | ||
| 72 | V | 77.6 | Confident | 75.8 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 29% | 0.291 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | -168.8 | -151.8 | 0 | 0 | 0 | 0 | 113 | L66 N67 L76 | L66-V72 HydrophobicContact CB-CG1 4.07Å; L66-V72 HydrophobicContact CD1-CG1 4.39Å; N67-V72 HydrophobicContact CB-CG2 4.23Å; V72-L76 WeakPolarHBondContact O-CB 3.37Å; V72-L76 PolarHBondContact O-N 3.32Å |
| 73 | Q | 73.3 | Confident | 74.9 | Confident | 173 Ų | 173 | 79.5 Ų | 79.5 | 81% | 0.808 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -70.4 | -45.5 | -174.3 | -67.9 | -175.4 | 16.2 | 0 | 0 | 113.2 | G71 L76 E77 | G71-Q73 PolarHBondContact O-N 2.76Å; Q73-L76 PolarHBondContact O-N 2.91Å; Q73-E77 PolarHBondContact O-N 2.79Å |
| 74 | V | 72.2 | Confident | 74 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -73.7 | -37 | -176.3 | -176 | 0 | 0 | 0 | 0 | 110.9 | G71 K78 | G71-V74 PolarHBondContact O-N 3.43Å; V74-K78 PolarHBondContact O-N 2.85Å; V74-K78 VanDerWaalsContact O-N 3.13Å |
| 75 | Q | 72.9 | Confident | 72.9 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 27% | 0.271 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 174.6 | -126.4 | 81.4 | 7.3 | 0 | 0 | 111.5 | L66 S69 G71 K78 E79 | L66-Q75 HydrophobicContact CD2-CB 3.75Å; L66-Q75 HydrophobicContact CD2-CG 3.97Å; S69-Q75 PolarHBondContact O-NE2 2.96Å; G71-Q75 WeakPolarHBondContact O-CB 3.23Å; G71-Q75 PolarHBondContact O-N 2.83Å; G71-Q75 VanDerWaalsContact O-N 3.15Å; Q75-K78 CarbonylContact O-C 3.59Å; Q75-K78 PolarHBondContact O-N 3.41Å; Q75-E79 WeakPolarHBondContact O-CB 3.16Å; Q75-E79 PolarHBondContact O-N 2.92Å |
| 76 | L | 72.4 | Confident | 71.9 | Confident | 66 Ų | 66 | 83.6 Ų | 83.6 | 35% | 0.346 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.4 | -38.5 | 179 | -167 | 148.2 | 0 | 0 | 0 | 111.6 | W62 L66 V72 Q73 K78 E79 V80 | W62-L76 HydrophobicContact CH2-CD1 4.22Å; L66-L76 HydrophobicContact CD1-CB 4.35Å; L66-L76 HydrophobicContact CD1-CD1 4.18Å; V72-L76 WeakPolarHBondContact O-CB 3.37Å; V72-L76 PolarHBondContact O-N 3.32Å; Q73-L76 PolarHBondContact O-N 2.91Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.79Å; L76-E79 PolarHBondContact O-N 2.8Å; L76-V80 HydrophobicContact CD2-CG2 3.92Å; L76-V80 HydrophobicContact CG-CG2 3.98Å; L76-V80 WeakPolarHBondContact O-CB 3.31Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.18Å; L76-V80 PolarHBondContact O-N 3.2Å |
| 77 | E | 74.4 | Confident | 71.1 | Confident | 132 Ų | 132 | 85.5 Ų | 85.5 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 170.5 | -123 | -175.3 | 177.1 | 0 | 0 | 111.2 | Q73 L81 | Q73-E77 PolarHBondContact O-N 2.79Å; E77-L81 WeakPolarHBondContact O-CA 3.41Å; E77-L81 WeakPolarHBondContact O-CB 3.31Å; E77-L81 PolarHBondContact O-N 2.98Å |
| 78 | K | 70.3 | Confident | 70.6 | Confident | 143 Ų | 143 | 80.9 Ų | 80.9 | 62% | 0.622 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.9 | -46.7 | 175.3 | -95.6 | 178.5 | 175.1 | 171.2 | 0 | 113.2 | V74 Q75 L76 H82 | V74-K78 PolarHBondContact O-N 2.85Å; V74-K78 VanDerWaalsContact O-N 3.13Å; Q75-K78 CarbonylContact O-C 3.59Å; Q75-K78 PolarHBondContact O-N 3.41Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.79Å; K78-H82 CarbonylContact O-C 3.01Å; K78-H82 WeakPolarHBondContact O-CA 3.29Å; K78-H82 WeakPolarHBondContact O-CB 2.96Å; K78-H82 PolarHBondContact O-N 3.23Å |
| 79 | E | 71.6 | Confident | 70.5 | Confident | 15 Ų | 15 | 76.6 Ų | 76.6 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | -178.6 | -85.2 | -152.7 | 117.8 | 0 | 0 | 113.2 | W62 L66 Q75 L76 Y83 S88 F89 F90 | W62-E79 PolarHBondContact NE1-OE2 3.18Å; L66-E79 HydrophobicContact CD2-CG 4.16Å; L66-E79 WeakPolarHBondContact CD2-OE2 3.49Å; Q75-E79 WeakPolarHBondContact O-CB 3.16Å; Q75-E79 PolarHBondContact O-N 2.92Å; L76-E79 PolarHBondContact O-N 2.8Å; E79-Y83 WeakPolarHBondContact O-CA 3.43Å; E79-S88 WeakPolarHBondContact CB-OG 2.84Å; E79-S88 VanDerWaalsContact CG-OG 3.27Å; E79-S88 WeakPolarHBondContact CG-OG 3.4Å; E79-S88 WeakPolarHBondContact OE1-CA 2.98Å; E79-S88 WeakPolarHBondContact OE1-CB 3.46Å; E79-S88 PolarHBondContact OE1-OG 3.07Å; E79-F89 PolarHBondContact OE1-N 3.31Å; E79-F90 PolarHBondContact OE1-N 2.82Å |
| 80 | V | 73.8 | Confident | 70.9 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 39% | 0.394 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -87.4 | -40.4 | -174.7 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | L76 F90 | L76-V80 HydrophobicContact CD2-CG2 3.92Å; L76-V80 HydrophobicContact CG-CG2 3.98Å; L76-V80 WeakPolarHBondContact O-CB 3.31Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.18Å; L76-V80 PolarHBondContact O-N 3.2Å; V80-F90 HydrophobicContact CG2-CD2 4.17Å; V80-F90 HydrophobicContact CG2-CE2 4.32Å |
| 81 | L | 65.6 | Low | 71.5 | Confident | 135 Ų | 135 | 73.2 Ų | 73.2 | 71% | 0.707 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -92.8 | -35.1 | -175.4 | -151.7 | 90.2 | 0 | 0 | 0 | 113 | E77 | E77-L81 WeakPolarHBondContact O-CA 3.41Å; E77-L81 WeakPolarHBondContact O-CB 3.31Å; E77-L81 PolarHBondContact O-N 2.98Å |
| 82 | H | 64.8 | Low | 72 | Confident | 152 Ų | 152 | 72.1 Ų | 72.1 | 70% | 0.704 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -111.3 | 50.4 | 176.2 | -102.3 | 75.1 | 0 | 0 | 0 | 110.7 | K78 D84 | K78-H82 CarbonylContact O-C 3.01Å; K78-H82 WeakPolarHBondContact O-CA 3.29Å; K78-H82 WeakPolarHBondContact O-CB 2.96Å; K78-H82 PolarHBondContact O-N 3.23Å; H82-D84 PolarHBondContact O-N 3.36Å; H82-D84 VanDerWaalsContact O-N 3.16Å |
| 83 | Y | 67.8 | Low | 72.5 | Confident | 100 Ų | 100 | 71.9 Ų | 71.9 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | trans | -53.4 | 120.1 | -175.5 | 172.4 | -94.9 | 0 | 0 | 0 | 112.2 | E79 Y85 F90 D91 | E79-Y83 WeakPolarHBondContact O-CA 3.43Å; Y83-Y85 WeakPolarHBondContact OH-CD2 3.19Å; Y83-F90 HydrophobicContact CD2-CB 4.38Å; Y83-F90 AromaticContact CD2-CD1 3.88Å; Y83-F90 HydrophobicContact CD2-CD1 3.88Å; Y83-F90 HydrophobicContact CE2-CB 4.43Å; Y83-F90 AromaticContact CE2-CD1 3.9Å; Y83-F90 HydrophobicContact CE2-CD1 3.9Å; Y83-D91 VanDerWaalsContact CE2-OD1 3.27Å; Y83-D91 WeakPolarHBondContact CE2-OD1 3.24Å; Y83-D91 VanDerWaalsContact CZ-OD1 3.26Å; Y83-D91 PolarHBondContact OH-OD1 2.92Å; Y83-D91 PolarHBondContact OH-OD2 3.33Å | ||
| 84 | D | 66.2 | Low | 73.2 | Confident | 88 Ų | 88 | 68 Ų | 68 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | trans | -121.2 | 115.8 | 173.5 | -166.8 | -26.2 | 0 | 0 | 0 | 109.1 | H82 H86 A87 S88 | H82-D84 PolarHBondContact O-N 3.36Å; H82-D84 VanDerWaalsContact O-N 3.16Å; D84-H86 PolarHBondContact O-N 3.18Å; D84-H86 VanDerWaalsContact O-N 3.09Å; D84-H86 PolarHBondContact OD1-N 3.16Å; D84-A87 HydrophobicContact CB-CB 4.33Å; D84-A87 PolarHBondContact O-N 3.49Å; D84-A87 VanDerWaalsContact O-N 3.16Å; D84-S88 WeakPolarHBondContact O-CB 3.46Å; D84-S88 PolarHBondContact O-N 3.43Å | ||
| 85 | Y | 64.1 | Low | 73.9 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.9 | -176.1 | -173.8 | -93.5 | 0 | 0 | 0 | 113 | Y83 D91 F128 K132 L135 | Y83-Y85 WeakPolarHBondContact OH-CD2 3.19Å; Y85-D91 VanDerWaalsContact CD2-OD2 3.3Å; Y85-D91 WeakPolarHBondContact CD2-OD2 3.44Å; Y85-D91 WeakPolarHBondContact CE2-OD2 3.3Å; Y85-F128 HydrophobicContact CE2-CZ 4.32Å; Y85-K132 HydrophobicContact CE1-CD 4.46Å; Y85-K132 PolarHBondContact O-NZ 3.46Å; Y85-L135 HydrophobicContact CE1-CD1 3.97Å |
| 86 | H | 60.9 | Low | 74.6 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -17 | -178.2 | -69.7 | -77 | 0 | 0 | 0 | 114.5 | D84 L135 K137 | D84-H86 PolarHBondContact O-N 3.18Å; D84-H86 VanDerWaalsContact O-N 3.09Å; D84-H86 PolarHBondContact OD1-N 3.16Å; H86-L135 PolarHBondContact ND1-O 3.42Å; H86-K137 PolarHBondContact O-N 3.44Å; H86-K137 VanDerWaalsContact O-N 3.17Å |
| 87 | A | 63.4 | Low | 75.4 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -16.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D84 L138 | D84-A87 HydrophobicContact CB-CB 4.33Å; D84-A87 PolarHBondContact O-N 3.49Å; D84-A87 VanDerWaalsContact O-N 3.16Å; A87-L138 HydrophobicContact CB-CD1 3.71Å; A87-L138 VanDerWaalsContact O-CD1 3.31Å; A87-L138 WeakPolarHBondContact O-CD1 3.17Å; A87-L138 VanDerWaalsContact O-CD2 3.29Å; A87-L138 WeakPolarHBondContact O-CD2 3.47Å |
| 88 | S | 73.3 | Confident | 76 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | trans | -99.4 | 133.9 | -179.2 | -174 | 0 | 0 | 0 | 0 | 113 | E79 D84 F90 K132 | E79-S88 WeakPolarHBondContact CB-OG 2.84Å; E79-S88 VanDerWaalsContact CG-OG 3.27Å; E79-S88 WeakPolarHBondContact CG-OG 3.4Å; E79-S88 WeakPolarHBondContact OE1-CA 2.98Å; E79-S88 WeakPolarHBondContact OE1-CB 3.46Å; E79-S88 PolarHBondContact OE1-OG 3.07Å; D84-S88 WeakPolarHBondContact O-CB 3.46Å; D84-S88 PolarHBondContact O-N 3.43Å; S88-F90 VanDerWaalsContact C-N 3.27Å; S88-F90 WeakPolarHBondContact OG-CB 3.4Å; S88-F90 PolarHBondContact OG-N 3.39Å; S88-F90 VanDerWaalsContact OG-N 3.15Å; S88-K132 WeakPolarHBondContact O-CE 3.31Å; S88-K132 PolarHBondContact O-NZ 3.38Å | ||
| 89 | F | 76.4 | Confident | 76.8 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -2.7 | 168.2 | -66 | -61.3 | 0 | 0 | 0 | 113.7 | E65 E79 D91 I92 F93 L138 L148 | E65-F89 HydrophobicContact CG-CD2 3.81Å; E65-F89 HydrophobicContact CG-CE2 3.6Å; E65-F89 WeakPolarHBondContact OE2-CD2 3.25Å; E79-F89 PolarHBondContact OE1-N 3.31Å; F89-D91 PolarHBondContact O-N 2.81Å; F89-D91 VanDerWaalsContact O-N 3.11Å; F89-I92 HydrophobicContact CD1-CD1 3.74Å; F89-I92 HydrophobicContact CE1-CD1 4.41Å; F89-I92 WeakPolarHBondContact O-CB 3.34Å; F89-I92 PolarHBondContact O-N 3.49Å; F89-F93 PolarHBondContact O-N 3.29Å; F89-L138 HydrophobicContact CD2-CD2 3.9Å; F89-L138 HydrophobicContact CE2-CD2 3.18Å; F89-L138 HydrophobicContact CE2-CG 4.4Å; F89-L138 HydrophobicContact CZ-CB 4.12Å; F89-L138 HydrophobicContact CZ-CD2 3.59Å; F89-L138 HydrophobicContact CZ-CG 4.41Å; F89-L148 HydrophobicContact CB-CD2 3.78Å; F89-L148 HydrophobicContact CD1-CB 4.45Å; F89-L148 HydrophobicContact CD1-CD2 4Å; F89-L148 HydrophobicContact CG-CD2 3.89Å |
| 90 | F | 81.4 | Confident | 77.6 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 20% | 0.202 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.8 | -34.9 | 174.7 | -178.8 | -110 | 0 | 0 | 0 | 112.4 | W62 E79 V80 Y83 S88 I92 F93 L94 | W62-F90 HydrophobicContact CH2-CD2 4.45Å; W62-F90 HydrophobicContact CZ2-CD2 4.17Å; E79-F90 PolarHBondContact OE1-N 2.82Å; V80-F90 HydrophobicContact CG2-CD2 4.17Å; V80-F90 HydrophobicContact CG2-CE2 4.32Å; Y83-F90 HydrophobicContact CD2-CB 4.38Å; Y83-F90 AromaticContact CD2-CD1 3.88Å; Y83-F90 HydrophobicContact CD2-CD1 3.88Å; Y83-F90 HydrophobicContact CE2-CB 4.43Å; Y83-F90 AromaticContact CE2-CD1 3.9Å; Y83-F90 HydrophobicContact CE2-CD1 3.9Å; S88-F90 VanDerWaalsContact C-N 3.27Å; S88-F90 WeakPolarHBondContact OG-CB 3.4Å; S88-F90 PolarHBondContact OG-N 3.39Å; S88-F90 VanDerWaalsContact OG-N 3.15Å; F90-I92 VanDerWaalsContact C-N 3.32Å; F90-I92 PolarHBondContact O-N 3.44Å; F90-F93 HydrophobicContact CD2-CD1 4.28Å; F90-F93 HydrophobicContact CE2-CD1 4.15Å; F90-F93 PolarHBondContact O-N 3.21Å; F90-L94 HydrophobicContact CE1-CD1 3.67Å; F90-L94 HydrophobicContact CZ-CD1 3.76Å; F90-L94 VanDerWaalsContact O-CB 3.31Å; F90-L94 WeakPolarHBondContact O-CB 3.32Å; F90-L94 PolarHBondContact O-N 2.87Å |
| 91 | D | 85.3 | Confident | 78.2 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 175.9 | -70.9 | -31.3 | 0 | 0 | 0 | 114.2 | Y83 Y85 F89 L95 F128 K132 | Y83-D91 VanDerWaalsContact CE2-OD1 3.27Å; Y83-D91 WeakPolarHBondContact CE2-OD1 3.24Å; Y83-D91 VanDerWaalsContact CZ-OD1 3.26Å; Y83-D91 PolarHBondContact OH-OD1 2.92Å; Y83-D91 PolarHBondContact OH-OD2 3.33Å; Y85-D91 VanDerWaalsContact CD2-OD2 3.3Å; Y85-D91 WeakPolarHBondContact CD2-OD2 3.44Å; Y85-D91 WeakPolarHBondContact CE2-OD2 3.3Å; F89-D91 PolarHBondContact O-N 2.81Å; F89-D91 VanDerWaalsContact O-N 3.11Å; D91-L95 WeakPolarHBondContact O-CB 3.35Å; D91-L95 PolarHBondContact O-N 3.41Å; D91-F128 HydrophobicContact CB-CE1 4.18Å; D91-F128 HydrophobicContact CB-CZ 4.26Å; D91-K132 HydrophobicContact CB-CD 4.21Å; D91-K132 IonicContact OD2-NZ 2.64Å; D91-K132 PolarHBondContact OD2-NZ 2.82Å |
| 92 | I | 85.4 | Confident | 79.1 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.6 | -41.9 | 179.5 | -56.2 | -175.4 | 0 | 0 | 0 | 109.1 | V58 F89 F90 L95 A96 L129 L148 P149 | V58-I92 HydrophobicContact CG1-CG2 4.15Å; F89-I92 HydrophobicContact CD1-CD1 3.74Å; F89-I92 HydrophobicContact CE1-CD1 4.41Å; F89-I92 WeakPolarHBondContact O-CB 3.34Å; F89-I92 PolarHBondContact O-N 3.49Å; F90-I92 VanDerWaalsContact C-N 3.32Å; F90-I92 PolarHBondContact O-N 3.44Å; I92-L95 PolarHBondContact O-N 2.8Å; I92-A96 PolarHBondContact O-N 3.39Å; I92-L129 HydrophobicContact CG2-CD2 4.48Å; I92-L148 HydrophobicContact CD1-CB 4.4Å; I92-L148 HydrophobicContact CD1-CD2 4.36Å; I92-P149 HydrophobicContact CD1-CB 3.98Å; I92-P149 HydrophobicContact CD1-CG 4.23Å |
| 93 | F | 86.8 | Confident | 80 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 172.5 | 169.8 | -102.7 | 0 | 0 | 0 | 111.5 | T59 W62 F89 F90 L95 A96 V97 | T59-F93 HydrophobicContact CG2-CD2 4.3Å; T59-F93 HydrophobicContact CG2-CE2 3.87Å; T59-F93 VanDerWaalsContact OG1-CE2 3.31Å; T59-F93 WeakPolarHBondContact OG1-CE2 3.37Å; W62-F93 HydrophobicContact CD2-CB 4.02Å; W62-F93 HydrophobicContact CD2-CG 4.23Å; W62-F93 HydrophobicContact CE3-CB 4.12Å; W62-F93 HydrophobicContact CE3-CD1 4.33Å; W62-F93 AromaticContact CE3-CD2 3.82Å; W62-F93 HydrophobicContact CE3-CD2 3.82Å; W62-F93 HydrophobicContact CE3-CE2 4.34Å; W62-F93 AromaticContact CE3-CG 3.81Å; W62-F93 HydrophobicContact CE3-CG 3.81Å; W62-F93 HydrophobicContact CG-CB 4.29Å; W62-F93 HydrophobicContact CH2-CD1 4.42Å; W62-F93 HydrophobicContact CZ3-CD1 4.09Å; W62-F93 HydrophobicContact CZ3-CD2 4.19Å; W62-F93 HydrophobicContact CZ3-CE1 4.29Å; W62-F93 HydrophobicContact CZ3-CE2 4.38Å; W62-F93 HydrophobicContact CZ3-CG 4.04Å; W62-F93 HydrophobicContact CZ3-CZ 4.43Å; F89-F93 PolarHBondContact O-N 3.29Å; F90-F93 HydrophobicContact CD2-CD1 4.28Å; F90-F93 HydrophobicContact CE2-CD1 4.15Å; F90-F93 PolarHBondContact O-N 3.21Å; F93-L95 VanDerWaalsContact C-N 3.28Å; F93-L95 PolarHBondContact O-N 2.9Å; F93-A96 WeakPolarHBondContact O-CB 3.32Å; F93-A96 PolarHBondContact O-N 3.37Å; F93-A96 VanDerWaalsContact O-N 3.07Å; F93-V97 HydrophobicContact CE1-CG2 4.04Å; F93-V97 HydrophobicContact CE2-CG2 4.05Å; F93-V97 HydrophobicContact CZ-CG2 3.77Å; F93-V97 WeakPolarHBondContact O-CG2 3.37Å; F93-V97 PolarHBondContact O-N 3.3Å |
| 94 | L | 87.6 | Confident | 80.6 | Confident | 90 Ų | 90 | 40.4 Ų | 40.4 | 47% | 0.471 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 178.5 | -166.9 | 120 | 0 | 0 | 0 | 111.5 | F90 V97 F98 | F90-L94 HydrophobicContact CE1-CD1 3.67Å; F90-L94 HydrophobicContact CZ-CD1 3.76Å; F90-L94 VanDerWaalsContact O-CB 3.31Å; F90-L94 WeakPolarHBondContact O-CB 3.32Å; F90-L94 PolarHBondContact O-N 2.87Å; L94-V97 PolarHBondContact O-N 2.89Å; L94-F98 WeakPolarHBondContact O-CB 3.28Å; L94-F98 PolarHBondContact O-N 3.46Å |
| 95 | L | 87.9 | Confident | 81.3 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | 173.3 | -171.7 | 74.9 | 0 | 0 | 0 | 112 | D91 I92 F93 V97 F98 R99 F128 L129 | D91-L95 WeakPolarHBondContact O-CB 3.35Å; D91-L95 PolarHBondContact O-N 3.41Å; I92-L95 PolarHBondContact O-N 2.8Å; F93-L95 VanDerWaalsContact C-N 3.28Å; F93-L95 PolarHBondContact O-N 2.9Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-F98 HydrophobicContact CD1-CD1 4.37Å; L95-F98 PolarHBondContact O-N 2.97Å; L95-R99 VanDerWaalsContact O-CB 3.3Å; L95-R99 WeakPolarHBondContact O-CB 3.06Å; L95-R99 PolarHBondContact O-N 3.07Å; L95-F128 HydrophobicContact CD1-CB 4.4Å; L95-F128 HydrophobicContact CD1-CD1 3.83Å; L95-F128 HydrophobicContact CD1-CE1 4.41Å; L95-F128 HydrophobicContact CD1-CG 4.27Å; L95-F128 HydrophobicContact CD2-CD1 3.9Å; L95-F128 HydrophobicContact CG-CD1 4.31Å; L95-L129 HydrophobicContact CD2-CD1 4.12Å; L95-L129 HydrophobicContact CD2-CD2 3.36Å; L95-L129 HydrophobicContact CD2-CG 3.38Å |
| 96 | A | 87.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V58 I92 F93 R99 F100 | V58-A96 HydrophobicContact CB-CB 3.89Å; V58-A96 HydrophobicContact CG1-CB 3.7Å; V58-A96 HydrophobicContact CG2-CB 4.19Å; I92-A96 PolarHBondContact O-N 3.39Å; F93-A96 WeakPolarHBondContact O-CB 3.32Å; F93-A96 PolarHBondContact O-N 3.37Å; F93-A96 VanDerWaalsContact O-N 3.07Å; A96-R99 PolarHBondContact O-N 3.36Å; A96-F100 WeakPolarHBondContact O-CB 3.43Å; A96-F100 PolarHBondContact O-N 2.84Å |
| 97 | V | 88.5 | Confident | 82.5 | Confident | 60 Ų | 60 | 38.3 Ų | 38.3 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 172.7 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | L55 F93 L94 L95 R99 F100 A101 | L55-V97 HydrophobicContact CD1-CG2 4.13Å; F93-V97 HydrophobicContact CE1-CG2 4.04Å; F93-V97 HydrophobicContact CE2-CG2 4.05Å; F93-V97 HydrophobicContact CZ-CG2 3.77Å; F93-V97 WeakPolarHBondContact O-CG2 3.37Å; F93-V97 PolarHBondContact O-N 3.3Å; L94-V97 PolarHBondContact O-N 2.89Å; L95-V97 VanDerWaalsContact C-N 3.34Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.23Å; V97-F100 PolarHBondContact O-N 3.02Å; V97-A101 WeakPolarHBondContact O-CB 3.28Å; V97-A101 PolarHBondContact O-N 3.12Å |
| 98 | F | 88.3 | Confident | 82.9 | Confident | 105 Ų | 105 | 39.9 Ų | 39.9 | 46% | 0.461 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.6 | 171.7 | -99.2 | 0 | 0 | 0 | 111.5 | L94 L95 A101 A102 | L94-F98 WeakPolarHBondContact O-CB 3.28Å; L94-F98 PolarHBondContact O-N 3.46Å; L95-F98 HydrophobicContact CD1-CD1 4.37Å; L95-F98 PolarHBondContact O-N 2.97Å; F98-A101 PolarHBondContact O-N 3.47Å; F98-A102 WeakPolarHBondContact O-CB 3.38Å; F98-A102 PolarHBondContact O-N 2.95Å |
| 99 | R | 86.6 | Confident | 82.8 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 177.8 | -175.4 | 179.7 | 57.3 | 162.6 | -21.9 | 111.4 | D54 L95 A96 V97 A101 A102 L103 A156 E159 | D54-R99 VanDerWaalsContact CG-CZ 3.44Å; D54-R99 IonicContact OD1-CZ 3.26Å; D54-R99 VanDerWaalsContact OD1-CZ 3.26Å; D54-R99 IonicContact OD1-NH1 3.28Å; D54-R99 PolarHBondContact OD1-NH1 3.22Å; D54-R99 IonicContact OD1-NH2 2.62Å; D54-R99 PolarHBondContact OD1-NH2 3.06Å; D54-R99 IonicContact OD2-CZ 2.66Å; D54-R99 IonicContact OD2-NE 3.66Å; D54-R99 IonicContact OD2-NH1 2.64Å; D54-R99 IonicContact OD2-NH2 3.7Å; D54-R99 PolarHBondContact OD2-NH2 3.3Å; L95-R99 VanDerWaalsContact O-CB 3.3Å; L95-R99 WeakPolarHBondContact O-CB 3.06Å; L95-R99 PolarHBondContact O-N 3.07Å; A96-R99 PolarHBondContact O-N 3.36Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.23Å; R99-A101 VanDerWaalsContact C-N 3.31Å; R99-A101 PolarHBondContact O-N 2.95Å; R99-A102 PolarHBondContact O-N 2.94Å; R99-L103 HydrophobicContact CG-CD1 3.85Å; R99-L103 HydrophobicContact CG-CG 4.35Å; R99-L103 WeakPolarHBondContact O-CB 3.12Å; R99-L103 VanDerWaalsContact O-CG 3.23Å; R99-L103 WeakPolarHBondContact O-CG 3.33Å; R99-L103 PolarHBondContact O-N 3.09Å; R99-A156 VanDerWaalsContact NH1-N 3.13Å; R99-E159 WeakPolarHBondContact CD-OE2 3.19Å; R99-E159 IonicContact CZ-OE1 2.67Å; R99-E159 IonicContact CZ-OE2 3.07Å; R99-E159 IonicContact NE-OE2 3.12Å; R99-E159 PolarHBondContact NE-OE2 3.18Å; R99-E159 VanDerWaalsContact NE-OE2 3.12Å; R99-E159 IonicContact NH1-OE1 3.79Å; R99-E159 IonicContact NH1-OE2 2.63Å; R99-E159 PolarHBondContact NH1-OE2 3.23Å |
| 100 | F | 87.9 | Confident | 82.2 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 27% | 0.272 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.1 | -49.2 | 172.4 | 174.4 | -95.5 | 0 | 0 | 0 | 111 | V51 T52 L55 A96 V97 A102 L103 I104 | V51-F100 HydrophobicContact CG1-CD2 3.39Å; V51-F100 HydrophobicContact CG1-CE2 3.52Å; V51-F100 HydrophobicContact CG1-CG 4.48Å; T52-F100 HydrophobicContact CG2-CE2 3.76Å; T52-F100 HydrophobicContact CG2-CZ 4.43Å; L55-F100 HydrophobicContact CB-CB 4.47Å; L55-F100 HydrophobicContact CB-CD2 4.34Å; L55-F100 HydrophobicContact CD1-CB 3.52Å; L55-F100 HydrophobicContact CD1-CD1 4.09Å; L55-F100 HydrophobicContact CD1-CD2 4.15Å; L55-F100 HydrophobicContact CD1-CG 3.66Å; A96-F100 WeakPolarHBondContact O-CB 3.43Å; A96-F100 PolarHBondContact O-N 2.84Å; V97-F100 PolarHBondContact O-N 3.02Å; F100-A102 PolarHBondContact O-N 3.27Å; F100-L103 PolarHBondContact O-N 3.39Å; F100-I104 HydrophobicContact CD1-CG1 4.41Å; F100-I104 HydrophobicContact CD2-CG1 4.48Å; F100-I104 HydrophobicContact CE1-CG1 4.04Å; F100-I104 HydrophobicContact CE2-CD1 4.32Å; F100-I104 HydrophobicContact CE2-CG1 4.09Å; F100-I104 HydrophobicContact CZ-CD1 4.28Å; F100-I104 HydrophobicContact CZ-CG1 3.86Å; F100-I104 VanDerWaalsContact O-CG1 3.27Å; F100-I104 WeakPolarHBondContact O-CG1 3.31Å; F100-I104 PolarHBondContact O-N 3.04Å |
| 101 | A | 87.2 | Confident | 81.2 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V97 F98 R99 L103 I104 L105 | V97-A101 WeakPolarHBondContact O-CB 3.28Å; V97-A101 PolarHBondContact O-N 3.12Å; F98-A101 PolarHBondContact O-N 3.47Å; R99-A101 VanDerWaalsContact C-N 3.31Å; R99-A101 PolarHBondContact O-N 2.95Å; A101-L103 VanDerWaalsContact C-N 3.32Å; A101-L103 PolarHBondContact O-N 3.49Å; A101-I104 PolarHBondContact O-N 3.43Å; A101-L105 WeakPolarHBondContact O-CB 3.44Å; A101-L105 PolarHBondContact O-N 2.94Å |
| 102 | A | 83.5 | Confident | 79.7 | Confident | 16 Ų | 16 | 53 Ų | 53 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F98 R99 F100 L105 A106 T121 | F98-A102 WeakPolarHBondContact O-CB 3.38Å; F98-A102 PolarHBondContact O-N 2.95Å; R99-A102 PolarHBondContact O-N 2.94Å; F100-A102 PolarHBondContact O-N 3.27Å; A102-L105 PolarHBondContact O-N 3.17Å; A102-A106 VanDerWaalsContact O-CB 3.28Å; A102-A106 WeakPolarHBondContact O-CB 3.23Å; A102-A106 PolarHBondContact O-N 3.26Å; A102-T121 HydrophobicContact CB-CG2 4.33Å |
| 103 | L | 83.1 | Confident | 78.4 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.4 | -41.9 | 178.3 | -70.9 | 173.4 | 0 | 0 | 0 | 112.1 | F47 V51 R99 F100 A101 L105 Y107 V118 E159 L163 | F47-L103 HydrophobicContact CZ-CB 4.18Å; F47-L103 HydrophobicContact CZ-CD2 4.31Å; V51-L103 HydrophobicContact CG2-CB 3.92Å; V51-L103 HydrophobicContact CG2-CD1 3.4Å; V51-L103 VanDerWaalsContact CG2-CD1 3.4Å; V51-L103 HydrophobicContact CG2-CG 4.24Å; R99-L103 HydrophobicContact CG-CD1 3.85Å; R99-L103 HydrophobicContact CG-CG 4.35Å; R99-L103 WeakPolarHBondContact O-CB 3.12Å; R99-L103 VanDerWaalsContact O-CG 3.23Å; R99-L103 WeakPolarHBondContact O-CG 3.33Å; R99-L103 PolarHBondContact O-N 3.09Å; F100-L103 PolarHBondContact O-N 3.39Å; A101-L103 VanDerWaalsContact C-N 3.32Å; A101-L103 PolarHBondContact O-N 3.49Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L103-Y107 WeakPolarHBondContact O-CB 3.39Å; L103-Y107 PolarHBondContact O-N 3.4Å; L103-V118 HydrophobicContact CD2-CG1 4.18Å; L103-E159 WeakPolarHBondContact CD1-OE2 3.49Å; L103-L163 HydrophobicContact CD2-CD1 3.38Å |
| 104 | I | 81.8 | Confident | 77.4 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 172.7 | -63.7 | -62.2 | 0 | 0 | 0 | 111.1 | V51 F100 A101 Y107 A108 | V51-I104 HydrophobicContact CG1-CD1 4.2Å; F100-I104 HydrophobicContact CD1-CG1 4.41Å; F100-I104 HydrophobicContact CD2-CG1 4.48Å; F100-I104 HydrophobicContact CE1-CG1 4.04Å; F100-I104 HydrophobicContact CE2-CD1 4.32Å; F100-I104 HydrophobicContact CE2-CG1 4.09Å; F100-I104 HydrophobicContact CZ-CD1 4.28Å; F100-I104 HydrophobicContact CZ-CG1 3.86Å; F100-I104 VanDerWaalsContact O-CG1 3.27Å; F100-I104 WeakPolarHBondContact O-CG1 3.31Å; F100-I104 PolarHBondContact O-N 3.04Å; A101-I104 PolarHBondContact O-N 3.43Å; I104-Y107 WeakPolarHBondContact O-CB 3.43Å; I104-Y107 PolarHBondContact O-N 3.38Å; I104-A108 VanDerWaalsContact O-CB 3.31Å; I104-A108 WeakPolarHBondContact O-CB 3.15Å; I104-A108 PolarHBondContact O-N 2.74Å |
| 105 | L | 81.3 | Confident | 76.6 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.3 | -42.6 | 177.9 | -163.9 | 70.5 | 0 | 0 | 0 | 111.7 | A101 A102 L103 Y107 A108 I109 | A101-L105 WeakPolarHBondContact O-CB 3.44Å; A101-L105 PolarHBondContact O-N 2.94Å; A102-L105 PolarHBondContact O-N 3.17Å; L103-L105 VanDerWaalsContact C-N 3.33Å; L105-Y107 PolarHBondContact O-N 3.27Å; L105-A108 PolarHBondContact O-N 3.11Å; L105-I109 HydrophobicContact CD1-CD1 3.24Å; L105-I109 HydrophobicContact CD1-CG1 3.81Å; L105-I109 HydrophobicContact CD2-CD1 4.46Å; L105-I109 HydrophobicContact CG-CD1 3.76Å; L105-I109 HydrophobicContact CG-CG1 4.2Å; L105-I109 WeakPolarHBondContact O-CB 3.36Å; L105-I109 PolarHBondContact O-N 3.48Å |
| 106 | A | 75.7 | Confident | 75.8 | Confident | 15 Ų | 15 | 75.3 Ų | 75.3 | 12% | 0.124 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A102 C110 V118 | A102-A106 VanDerWaalsContact O-CB 3.28Å; A102-A106 WeakPolarHBondContact O-CB 3.23Å; A102-A106 PolarHBondContact O-N 3.26Å; A106-C110 VanDerWaalsContact O-CB 3.31Å; A106-C110 WeakPolarHBondContact O-CB 3.29Å; A106-C110 PolarHBondContact O-N 2.99Å; A106-V118 HydrophobicContact CB-CG2 3.73Å |
| 107 | Y | 73.3 | Confident | 75.2 | Confident | 75 Ų | 75 | 77 Ų | 77 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 173.4 | 176.2 | -97.7 | 0 | 0 | 0 | 112.6 | R44 L103 I104 L105 | R44-Y107 HydrophobicContact CB-CE2 4.29Å; R44-Y107 HydrophobicContact CG-CE2 3.96Å; L103-Y107 WeakPolarHBondContact O-CB 3.39Å; L103-Y107 PolarHBondContact O-N 3.4Å; I104-Y107 WeakPolarHBondContact O-CB 3.43Å; I104-Y107 PolarHBondContact O-N 3.38Å; L105-Y107 PolarHBondContact O-N 3.27Å |
| 108 | A | 72.7 | Confident | 74.6 | Confident | 74 Ų | 74 | 75.1 Ų | 75.1 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -77.6 | -42.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I104 L105 | I104-A108 VanDerWaalsContact O-CB 3.31Å; I104-A108 WeakPolarHBondContact O-CB 3.15Å; I104-A108 PolarHBondContact O-N 2.74Å; L105-A108 PolarHBondContact O-N 3.11Å |
| 109 | I | 70.8 | Confident | 74.2 | Confident | 120 Ų | 120 | 71.8 Ų | 71.8 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -96.7 | -44.4 | -172 | -58.9 | -171.3 | 0 | 0 | 0 | 111.6 | L105 K111 | L105-I109 HydrophobicContact CD1-CD1 3.24Å; L105-I109 HydrophobicContact CD1-CG1 3.81Å; L105-I109 HydrophobicContact CD2-CD1 4.46Å; L105-I109 HydrophobicContact CG-CD1 3.76Å; L105-I109 HydrophobicContact CG-CG1 4.2Å; L105-I109 WeakPolarHBondContact O-CB 3.36Å; L105-I109 PolarHBondContact O-N 3.48Å; I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 3.28Å |
| 110 | C | 63.2 | Low | 74 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -86.1 | -4.7 | -169.1 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | A106 L112 R113 | A106-C110 VanDerWaalsContact O-CB 3.31Å; A106-C110 WeakPolarHBondContact O-CB 3.29Å; A106-C110 PolarHBondContact O-N 2.99Å; C110-L112 PolarHBondContact O-N 2.63Å; C110-R113 PolarHBondContact O-N 2.62Å |
| 111 | K | 61.6 | Low | 73.7 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 53% | 0.53 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 36.6 | 47.3 | 179.3 | -155.1 | -160 | -179.2 | -140.5 | 0 | 111.6 | I109 R113 E175 | I109-K111 VanDerWaalsContact C-N 3.33Å; I109-K111 PolarHBondContact O-N 3.28Å; K111-R113 PolarHBondContact O-N 3.46Å; K111-E175 IonicContact NZ-OE1 3.67Å; K111-E175 PolarHBondContact NZ-OE1 3.28Å |
| 112 | L | 53.9 | Low | 73.4 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 3.5 | -176.4 | -60.1 | 114 | 0 | 0 | 0 | 117.9 | C110 H114 V167 L168 E171 | C110-L112 PolarHBondContact O-N 2.63Å; L112-H114 VanDerWaalsContact C-N 3.27Å; L112-H114 PolarHBondContact O-N 2.93Å; L112-V167 HydrophobicContact CD2-CG1 3.51Å; L112-L168 HydrophobicContact CB-CD2 4.46Å; L112-L168 HydrophobicContact CD2-CD2 4.21Å; L112-E171 VanDerWaalsContact CD1-CD 3.47Å; L112-E171 WeakPolarHBondContact CD1-OE2 3.42Å; L112-E171 WeakPolarHBondContact CD2-OE2 3.21Å |
| 113 | R | 56.8 | Low | 73.5 | Confident | 200 Ų | 200 | 74.7 Ų | 74.7 | 76% | 0.755 | 38% | 0.38 | S | S | * | . | trans | -73.8 | -19.9 | -167.8 | -167 | 145.1 | 60.5 | 106.5 | -0.5 | 113.5 | C110 K111 | C110-R113 PolarHBondContact O-N 2.62Å; K111-R113 PolarHBondContact O-N 3.46Å | ||
| 114 | H | 66.7 | Low | 73.6 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | trans | -123.2 | 88.2 | 174.4 | -68.2 | -61 | 0 | 0 | 0 | 110.6 | L112 W116 A117 | L112-H114 VanDerWaalsContact C-N 3.27Å; L112-H114 PolarHBondContact O-N 2.93Å; H114-W116 PolarHBondContact O-N 2.91Å; H114-A117 PolarHBondContact O-N 3.47Å; H114-A117 VanDerWaalsContact O-N 3.09Å | ||
| 115 | W | 69.4 | Low | 73.8 | Confident | 110 Ų | 110 | 76.2 Ų | 76.2 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -51.9 | -35.2 | 173.5 | 176.5 | 47 | 0 | 0 | 0 | 113.2 | A117 V118 A119 D164 L168 | W115-A117 VanDerWaalsContact C-N 3.26Å; W115-A117 PolarHBondContact O-N 2.84Å; W115-V118 PolarHBondContact O-N 3.26Å; W115-A119 PolarHBondContact O-N 2.94Å; W115-D164 HydrophobicContact CZ2-CB 4.42Å; W115-D164 WeakPolarHBondContact CZ2-OD1 2.8Å; W115-D164 WeakPolarHBondContact CZ2-OD2 3.37Å; W115-D164 PolarHBondContact NE1-OD1 3.48Å; W115-L168 HydrophobicContact CB-CD1 4.35Å; W115-L168 HydrophobicContact CB-CD2 4.13Å; W115-L168 HydrophobicContact CD2-CD1 4.4Å; W115-L168 HydrophobicContact CG-CD1 3.68Å; W115-L168 HydrophobicContact CG-CD2 4.35Å |
| 116 | W | 72.8 | Confident | 73.9 | Confident | 185 Ų | 185 | 72.3 Ų | 72.3 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.4 | -30.6 | 178.3 | -92 | 70.8 | 0 | 0 | 0 | 114.3 | H114 V118 A119 I120 | H114-W116 PolarHBondContact O-N 2.91Å; W116-V118 VanDerWaalsContact C-N 3.35Å; W116-V118 PolarHBondContact O-N 3.2Å; W116-A119 PolarHBondContact O-N 3.08Å; W116-I120 HydrophobicContact CE3-CD1 4.19Å; W116-I120 HydrophobicContact CE3-CG1 4.41Å; W116-I120 WeakPolarHBondContact O-CB 2.88Å; W116-I120 WeakPolarHBondContact O-CD1 3.42Å; W116-I120 WeakPolarHBondContact O-CG1 3.4Å; W116-I120 PolarHBondContact O-N 2.86Å |
| 117 | A | 74.4 | Confident | 74.5 | Confident | 36 Ų | 36 | 74 Ų | 74 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H114 W115 I120 T121 | H114-A117 PolarHBondContact O-N 3.47Å; H114-A117 VanDerWaalsContact O-N 3.09Å; W115-A117 VanDerWaalsContact C-N 3.26Å; W115-A117 PolarHBondContact O-N 2.84Å; A117-I120 PolarHBondContact O-N 3.21Å; A117-T121 PolarHBondContact O-N 3.4Å; A117-T121 PolarHBondContact O-OG1 3.21Å |
| 118 | V | 75.6 | Confident | 75.1 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 13% | 0.127 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 110 | L103 A106 W115 W116 I120 T121 T122 L163 | L103-V118 HydrophobicContact CD2-CG1 4.18Å; A106-V118 HydrophobicContact CB-CG2 3.73Å; W115-V118 PolarHBondContact O-N 3.26Å; W116-V118 VanDerWaalsContact C-N 3.35Å; W116-V118 PolarHBondContact O-N 3.2Å; V118-I120 VanDerWaalsContact C-N 3.32Å; V118-I120 PolarHBondContact O-N 2.82Å; V118-T121 WeakPolarHBondContact CA-OG1 3.46Å; V118-T121 PolarHBondContact O-N 2.81Å; V118-T121 PolarHBondContact O-OG1 2.94Å; V118-T122 PolarHBondContact O-N 3.25Å; V118-T122 PolarHBondContact O-OG1 2.93Å; V118-T122 VanDerWaalsContact O-OG1 3.06Å; V118-L163 HydrophobicContact CG1-CD1 3.5Å; V118-L163 VanDerWaalsContact CG1-CD1 3.5Å; V118-L163 HydrophobicContact CG1-CG 4.43Å |
| 119 | A | 80 | Confident | 75.7 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W115 W116 T122 A123 | W115-A119 PolarHBondContact O-N 2.94Å; W116-A119 PolarHBondContact O-N 3.08Å; A119-T122 PolarHBondContact O-N 2.89Å; A119-A123 VanDerWaalsContact O-CB 3.25Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.43Å |
| 120 | I | 81.8 | Confident | 76.4 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.5 | -69.2 | 163.8 | 0 | 0 | 0 | 110.8 | W116 A117 V118 T122 A123 V124 | W116-I120 HydrophobicContact CE3-CD1 4.19Å; W116-I120 HydrophobicContact CE3-CG1 4.41Å; W116-I120 WeakPolarHBondContact O-CB 2.88Å; W116-I120 WeakPolarHBondContact O-CD1 3.42Å; W116-I120 WeakPolarHBondContact O-CG1 3.4Å; W116-I120 PolarHBondContact O-N 2.86Å; A117-I120 PolarHBondContact O-N 3.21Å; V118-I120 VanDerWaalsContact C-N 3.32Å; V118-I120 PolarHBondContact O-N 2.82Å; I120-T122 VanDerWaalsContact C-N 3.28Å; I120-T122 PolarHBondContact O-N 3.28Å; I120-A123 PolarHBondContact O-N 2.83Å; I120-V124 HydrophobicContact CG2-CG2 4.38Å; I120-V124 WeakPolarHBondContact O-CG2 3.3Å; I120-V124 PolarHBondContact O-N 3.41Å |
| 121 | T | 81.9 | Confident | 77.4 | Confident | 42 Ų | 42 | 70 Ų | 70 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 179.9 | 43.6 | 0 | 0 | 0 | 0 | 112.3 | A102 A117 V118 S125 | A102-T121 HydrophobicContact CB-CG2 4.33Å; A117-T121 PolarHBondContact O-N 3.4Å; A117-T121 PolarHBondContact O-OG1 3.21Å; V118-T121 WeakPolarHBondContact CA-OG1 3.46Å; V118-T121 PolarHBondContact O-N 2.81Å; V118-T121 PolarHBondContact O-OG1 2.94Å; T121-S125 WeakPolarHBondContact O-CB 3.38Å; T121-S125 PolarHBondContact O-N 3.4Å; T121-S125 VanDerWaalsContact O-N 3.09Å; T121-S125 PolarHBondContact O-OG 3.33Å |
| 122 | T | 82.1 | Confident | 78.5 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.1 | -40.4 | 174.5 | -44.3 | 0 | 0 | 0 | 0 | 111.9 | V118 A119 I120 V124 S125 C126 T160 | V118-T122 PolarHBondContact O-N 3.25Å; V118-T122 PolarHBondContact O-OG1 2.93Å; V118-T122 VanDerWaalsContact O-OG1 3.06Å; A119-T122 PolarHBondContact O-N 2.89Å; I120-T122 VanDerWaalsContact C-N 3.28Å; I120-T122 PolarHBondContact O-N 3.28Å; T122-V124 VanDerWaalsContact C-N 3.31Å; T122-V124 PolarHBondContact O-N 2.97Å; T122-S125 PolarHBondContact O-N 3.36Å; T122-S125 VanDerWaalsContact O-N 3.14Å; T122-C126 WeakPolarHBondContact O-CB 3.35Å; T122-C126 PolarHBondContact O-N 2.77Å; T122-C126 PolarHBondContact O-SG 2.55Å; T122-C126 VanDerWaalsContact O-SG 3.41Å; T122-T160 WeakPolarHBondContact CG2-OG1 3.34Å |
| 123 | A | 85.1 | Confident | 79.8 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A119 I120 C126 A127 | A119-A123 VanDerWaalsContact O-CB 3.25Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.43Å; I120-A123 PolarHBondContact O-N 2.83Å; A123-C126 PolarHBondContact O-N 2.94Å; A123-A127 WeakPolarHBondContact O-CB 3.2Å; A123-A127 PolarHBondContact O-N 2.88Å |
| 124 | V | 85.6 | Confident | 80.9 | Confident | 88 Ų | 88 | 61.6 Ų | 61.6 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I120 T122 A127 F128 | I120-V124 HydrophobicContact CG2-CG2 4.38Å; I120-V124 WeakPolarHBondContact O-CG2 3.3Å; I120-V124 PolarHBondContact O-N 3.41Å; T122-V124 VanDerWaalsContact C-N 3.31Å; T122-V124 PolarHBondContact O-N 2.97Å; V124-A127 PolarHBondContact O-N 2.97Å; V124-F128 WeakPolarHBondContact O-CB 3.48Å; V124-F128 PolarHBondContact O-N 3.35Å |
| 125 | S | 84.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | T121 T122 F128 L129 | T121-S125 WeakPolarHBondContact O-CB 3.38Å; T121-S125 PolarHBondContact O-N 3.4Å; T121-S125 VanDerWaalsContact O-N 3.09Å; T121-S125 PolarHBondContact O-OG 3.33Å; T122-S125 PolarHBondContact O-N 3.36Å; T122-S125 VanDerWaalsContact O-N 3.14Å; S125-F128 PolarHBondContact O-N 3.07Å; S125-L129 PolarHBondContact O-N 3.46Å |
| 126 | C | 84.4 | Confident | 81.3 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.8 | -75.8 | 0 | 0 | 0 | 0 | 112 | T122 A123 F128 L129 I130 | T122-C126 WeakPolarHBondContact O-CB 3.35Å; T122-C126 PolarHBondContact O-N 2.77Å; T122-C126 PolarHBondContact O-SG 2.55Å; T122-C126 VanDerWaalsContact O-SG 3.41Å; A123-C126 PolarHBondContact O-N 2.94Å; C126-F128 VanDerWaalsContact C-N 3.29Å; C126-F128 PolarHBondContact O-N 3.34Å; C126-L129 PolarHBondContact O-N 2.91Å; C126-I130 VanDerWaalsContact O-CG1 3.3Å; C126-I130 WeakPolarHBondContact O-CG1 3.29Å; C126-I130 PolarHBondContact O-N 2.62Å |
| 127 | A | 88.1 | Confident | 80.9 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A123 V124 I130 V131 | A123-A127 WeakPolarHBondContact O-CB 3.2Å; A123-A127 PolarHBondContact O-N 2.88Å; V124-A127 PolarHBondContact O-N 2.97Å; A127-I130 PolarHBondContact O-N 3.47Å; A127-V131 WeakPolarHBondContact O-CG2 3.31Å; A127-V131 PolarHBondContact O-N 2.82Å |
| 128 | F | 86.2 | Confident | 80.3 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 31% | 0.307 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.6 | -176.1 | -89.6 | 0 | 0 | 0 | 112.1 | Y85 D91 L95 V124 S125 C126 I130 V131 K132 | Y85-F128 HydrophobicContact CE2-CZ 4.32Å; D91-F128 HydrophobicContact CB-CE1 4.18Å; D91-F128 HydrophobicContact CB-CZ 4.26Å; L95-F128 HydrophobicContact CD1-CB 4.4Å; L95-F128 HydrophobicContact CD1-CD1 3.83Å; L95-F128 HydrophobicContact CD1-CE1 4.41Å; L95-F128 HydrophobicContact CD1-CG 4.27Å; L95-F128 HydrophobicContact CD2-CD1 3.9Å; L95-F128 HydrophobicContact CG-CD1 4.31Å; V124-F128 WeakPolarHBondContact O-CB 3.48Å; V124-F128 PolarHBondContact O-N 3.35Å; S125-F128 PolarHBondContact O-N 3.07Å; C126-F128 VanDerWaalsContact C-N 3.29Å; C126-F128 PolarHBondContact O-N 3.34Å; F128-I130 VanDerWaalsContact C-N 3.35Å; F128-I130 PolarHBondContact O-N 2.81Å; F128-V131 PolarHBondContact O-N 3.32Å; F128-K132 VanDerWaalsContact O-CB 3.28Å; F128-K132 WeakPolarHBondContact O-CB 3.41Å; F128-K132 PolarHBondContact O-N 2.85Å |
| 129 | L | 85.1 | Confident | 79.5 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 174.9 | -76 | -177.1 | 0 | 0 | 0 | 112.5 | I92 L95 S125 C126 K132 V133 F153 | I92-L129 HydrophobicContact CG2-CD2 4.48Å; L95-L129 HydrophobicContact CD2-CD1 4.12Å; L95-L129 HydrophobicContact CD2-CD2 3.36Å; L95-L129 HydrophobicContact CD2-CG 3.38Å; S125-L129 PolarHBondContact O-N 3.46Å; C126-L129 PolarHBondContact O-N 2.91Å; L129-K132 PolarHBondContact O-N 3.33Å; L129-V133 WeakPolarHBondContact O-CB 3.21Å; L129-V133 VanDerWaalsContact O-CG2 3.23Å; L129-V133 WeakPolarHBondContact O-CG2 3.4Å; L129-V133 PolarHBondContact O-N 3.24Å; L129-F153 HydrophobicContact CD1-CB 4.23Å |
| 130 | I | 84.8 | Confident | 78.6 | Confident | 86 Ų | 86 | 59 Ų | 59 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 179 | -68.2 | 163.9 | 0 | 0 | 0 | 110.4 | C126 A127 F128 K132 V133 I134 F153 | C126-I130 VanDerWaalsContact O-CG1 3.3Å; C126-I130 WeakPolarHBondContact O-CG1 3.29Å; C126-I130 PolarHBondContact O-N 2.62Å; A127-I130 PolarHBondContact O-N 3.47Å; F128-I130 VanDerWaalsContact C-N 3.35Å; F128-I130 PolarHBondContact O-N 2.81Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 3.37Å; I130-V133 PolarHBondContact O-N 3.38Å; I130-I134 HydrophobicContact CG2-CD1 3.83Å; I130-I134 VanDerWaalsContact O-CG1 3.29Å; I130-I134 WeakPolarHBondContact O-CG1 3.36Å; I130-I134 PolarHBondContact O-N 2.92Å; I130-F153 HydrophobicContact CG1-CE2 4.5Å |
| 131 | V | 84.9 | Confident | 77.8 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | A127 F128 V133 I134 L135 | A127-V131 WeakPolarHBondContact O-CG2 3.31Å; A127-V131 PolarHBondContact O-N 2.82Å; F128-V131 PolarHBondContact O-N 3.32Å; V131-V133 PolarHBondContact O-N 3.03Å; V131-I134 PolarHBondContact O-N 3.3Å; V131-L135 HydrophobicContact CG1-CD1 3.73Å; V131-L135 HydrophobicContact CG1-CG 4.45Å; V131-L135 WeakPolarHBondContact O-CB 2.9Å; V131-L135 WeakPolarHBondContact O-CG 3.47Å; V131-L135 PolarHBondContact O-N 2.99Å |
| 132 | K | 83.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 178.1 | -177.3 | 70.2 | 179.9 | -173.2 | 0 | 111.7 | Y85 S88 D91 F128 L129 I130 I134 L135 S136 | Y85-K132 HydrophobicContact CE1-CD 4.46Å; Y85-K132 PolarHBondContact O-NZ 3.46Å; S88-K132 WeakPolarHBondContact O-CE 3.31Å; S88-K132 PolarHBondContact O-NZ 3.38Å; D91-K132 HydrophobicContact CB-CD 4.21Å; D91-K132 IonicContact OD2-NZ 2.64Å; D91-K132 PolarHBondContact OD2-NZ 2.82Å; F128-K132 VanDerWaalsContact O-CB 3.28Å; F128-K132 WeakPolarHBondContact O-CB 3.41Å; F128-K132 PolarHBondContact O-N 2.85Å; L129-K132 PolarHBondContact O-N 3.33Å; I130-K132 VanDerWaalsContact C-N 3.32Å; I130-K132 PolarHBondContact O-N 3.37Å; K132-I134 VanDerWaalsContact C-N 3.32Å; K132-I134 PolarHBondContact O-N 2.88Å; K132-L135 PolarHBondContact O-N 3.37Å; K132-S136 WeakPolarHBondContact CE-OG 3.34Å; K132-S136 VanDerWaalsContact O-CB 3.24Å; K132-S136 WeakPolarHBondContact O-CB 3.49Å; K132-S136 PolarHBondContact O-N 2.82Å; K132-S136 PolarHBondContact O-OG 2.86Å |
| 133 | V | 82.3 | Confident | 76.5 | Confident | 56 Ų | 56 | 66 Ų | 66 | 34% | 0.339 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 176.7 | 164.6 | 0 | 0 | 0 | 0 | 111.4 | L129 I130 V131 L139 P149 | L129-V133 WeakPolarHBondContact O-CB 3.21Å; L129-V133 VanDerWaalsContact O-CG2 3.23Å; L129-V133 WeakPolarHBondContact O-CG2 3.4Å; L129-V133 PolarHBondContact O-N 3.24Å; I130-V133 PolarHBondContact O-N 3.38Å; V131-V133 PolarHBondContact O-N 3.03Å; V133-L139 HydrophobicContact CG1-CD1 4.05Å; V133-L139 WeakPolarHBondContact O-CD1 3.27Å; V133-P149 HydrophobicContact CG2-CB 3.47Å; V133-P149 VanDerWaalsContact CG2-CB 3.47Å; V133-P149 HydrophobicContact CG2-CG 4.31Å |
| 134 | I | 79.6 | Confident | 75.8 | Confident | 133 Ų | 133 | 67.2 Ų | 67.2 | 68% | 0.682 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.6 | -34.4 | -179.6 | -64.9 | 165.1 | 0 | 0 | 0 | 111.7 | I130 V131 K132 | I130-I134 HydrophobicContact CG2-CD1 3.83Å; I130-I134 VanDerWaalsContact O-CG1 3.29Å; I130-I134 WeakPolarHBondContact O-CG1 3.36Å; I130-I134 PolarHBondContact O-N 2.92Å; V131-I134 PolarHBondContact O-N 3.3Å; K132-I134 VanDerWaalsContact C-N 3.32Å; K132-I134 PolarHBondContact O-N 2.88Å |
| 135 | L | 73.5 | Confident | 75.4 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -90 | -16.5 | -175.5 | -68.3 | 178.2 | 0 | 0 | 0 | 114.5 | Y85 H86 V131 K132 K137 | Y85-L135 HydrophobicContact CE1-CD1 3.97Å; H86-L135 PolarHBondContact ND1-O 3.42Å; V131-L135 HydrophobicContact CG1-CD1 3.73Å; V131-L135 HydrophobicContact CG1-CG 4.45Å; V131-L135 WeakPolarHBondContact O-CB 2.9Å; V131-L135 WeakPolarHBondContact O-CG 3.47Å; V131-L135 PolarHBondContact O-N 2.99Å; K132-L135 PolarHBondContact O-N 3.37Å; L135-K137 PolarHBondContact O-N 2.89Å |
| 136 | S | 70.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | trans | -78.2 | 108.9 | -173.7 | -65.9 | 0 | 0 | 0 | 0 | 110.8 | K132 L138 L139 | K132-S136 WeakPolarHBondContact CE-OG 3.34Å; K132-S136 VanDerWaalsContact O-CB 3.24Å; K132-S136 WeakPolarHBondContact O-CB 3.49Å; K132-S136 PolarHBondContact O-N 2.82Å; K132-S136 PolarHBondContact O-OG 2.86Å; S136-L138 PolarHBondContact O-N 3.3Å; S136-L139 WeakPolarHBondContact O-CG 3.27Å; S136-L139 PolarHBondContact O-N 3.36Å | ||
| 137 | K | 65.8 | Low | 75 | Confident | 164 Ų | 164 | 70.5 Ų | 70.5 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -69.2 | -20.8 | 173.8 | -70.4 | -170.6 | 178.3 | 174.6 | 0 | 112.1 | H86 L135 L139 L140 | H86-K137 PolarHBondContact O-N 3.44Å; H86-K137 VanDerWaalsContact O-N 3.17Å; L135-K137 PolarHBondContact O-N 2.89Å; K137-L139 PolarHBondContact O-N 2.93Å; K137-L140 PolarHBondContact O-N 3.47Å; K137-L140 VanDerWaalsContact O-N 3.09Å |
| 138 | L | 60.8 | Low | 74.7 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 20% | 0.199 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -66.4 | -17.1 | 179.8 | -131.2 | 85.3 | 0 | 0 | 0 | 114 | A87 F89 S136 L140 Q141 | A87-L138 HydrophobicContact CB-CD1 3.71Å; A87-L138 VanDerWaalsContact O-CD1 3.31Å; A87-L138 WeakPolarHBondContact O-CD1 3.17Å; A87-L138 VanDerWaalsContact O-CD2 3.29Å; A87-L138 WeakPolarHBondContact O-CD2 3.47Å; F89-L138 HydrophobicContact CD2-CD2 3.9Å; F89-L138 HydrophobicContact CE2-CD2 3.18Å; F89-L138 HydrophobicContact CE2-CG 4.4Å; F89-L138 HydrophobicContact CZ-CB 4.12Å; F89-L138 HydrophobicContact CZ-CD2 3.59Å; F89-L138 HydrophobicContact CZ-CG 4.41Å; S136-L138 PolarHBondContact O-N 3.3Å; L138-L140 PolarHBondContact O-N 3.14Å; L138-Q141 PolarHBondContact O-N 2.95Å; L138-Q141 VanDerWaalsContact O-N 3.17Å |
| 139 | L | 59.7 | Low | 74.5 | Confident | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -55.3 | -42.7 | 169.4 | -67.2 | -168 | 0 | 0 | 0 | 110.7 | V133 S136 K137 Q141 G145 Y146 P149 | V133-L139 HydrophobicContact CG1-CD1 4.05Å; V133-L139 WeakPolarHBondContact O-CD1 3.27Å; S136-L139 WeakPolarHBondContact O-CG 3.27Å; S136-L139 PolarHBondContact O-N 3.36Å; K137-L139 PolarHBondContact O-N 2.93Å; L139-Q141 PolarHBondContact O-N 2.8Å; L139-Q141 VanDerWaalsContact O-N 3.09Å; L139-G145 WeakPolarHBondContact CD2-O 3.44Å; L139-Y146 VanDerWaalsContact C-CZ 3.41Å; L139-Y146 HydrophobicContact CB-CD1 3.91Å; L139-Y146 HydrophobicContact CB-CE1 3.57Å; L139-Y146 HydrophobicContact CD1-CD1 4.33Å; L139-Y146 HydrophobicContact CD1-CE1 4.46Å; L139-Y146 HydrophobicContact CD2-CD1 3.96Å; L139-Y146 HydrophobicContact CD2-CG 4.42Å; L139-Y146 HydrophobicContact CG-CD1 4.29Å; L139-Y146 HydrophobicContact CG-CE1 4.39Å; L139-Y146 WeakPolarHBondContact O-CE1 3.23Å; L139-Y146 WeakPolarHBondContact O-CE2 3.25Å; L139-Y146 PolarHBondContact O-OH 3.46Å; L139-P149 HydrophobicContact CD2-CG 3.74Å |
| 140 | L | 60.4 | Low | 74.5 | Confident | 151 Ų | 151 | 69.3 Ų | 69.3 | 79% | 0.791 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -69.5 | -10.7 | -177.7 | -84.5 | 84.1 | 0 | 0 | 0 | 114.6 | K137 L138 | K137-L140 PolarHBondContact O-N 3.47Å; K137-L140 VanDerWaalsContact O-N 3.09Å; L138-L140 PolarHBondContact O-N 3.14Å |
| 141 | Q | 64.3 | Low | 74.6 | Confident | 166 Ų | 166 | 66.4 Ų | 66.4 | 78% | 0.776 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -94.3 | -11.2 | -167.1 | -159.3 | 133.4 | -22.8 | 0 | 0 | 114.4 | L138 L139 | L138-Q141 PolarHBondContact O-N 2.95Å; L138-Q141 VanDerWaalsContact O-N 3.17Å; L139-Q141 PolarHBondContact O-N 2.8Å; L139-Q141 VanDerWaalsContact O-N 3.09Å |
| 142 | G | 67.9 | Low | 74.6 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | trans | 177.3 | 161.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F144 G145 Y146 | G142-F144 VanDerWaalsContact C-N 3.29Å; G142-F144 PolarHBondContact O-N 2.92Å; G142-G145 PolarHBondContact O-N 3.41Å; G142-Y146 VanDerWaalsContact O-CD2 3.31Å; G142-Y146 WeakPolarHBondContact O-CD2 3.31Å | ||
| 143 | A | 69.2 | Low | 74.7 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 72% | 0.719 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.1 | -33.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | G145 | A143-G145 VanDerWaalsContact C-N 3.3Å; A143-G145 PolarHBondContact O-N 2.97Å |
| 144 | F | 71.6 | Confident | 74.9 | Confident | 85 Ų | 85 | 68 Ų | 68 | 37% | 0.373 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.2 | -22.7 | 176.4 | -101.3 | -89.8 | 0 | 0 | 0 | 113.4 | I64 G142 Y146 L147 L148 | I64-F144 HydrophobicContact CG2-CD1 4.45Å; I64-F144 HydrophobicContact CG2-CE1 3.85Å; I64-F144 HydrophobicContact CG2-CZ 4.3Å; G142-F144 VanDerWaalsContact C-N 3.29Å; G142-F144 PolarHBondContact O-N 2.92Å; F144-Y146 VanDerWaalsContact C-N 3.3Å; F144-Y146 PolarHBondContact O-N 3.39Å; F144-L147 HydrophobicContact CD1-CD2 3.99Å; F144-L147 HydrophobicContact CE1-CD2 3.76Å; F144-L147 HydrophobicContact CZ-CD2 4.25Å; F144-L147 PolarHBondContact O-N 2.89Å; F144-L148 PolarHBondContact O-N 2.95Å |
| 145 | G | 75.4 | Confident | 75.1 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.6 | -30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L139 G142 A143 P149 | L139-G145 WeakPolarHBondContact CD2-O 3.44Å; G142-G145 PolarHBondContact O-N 3.41Å; A143-G145 VanDerWaalsContact C-N 3.3Å; A143-G145 PolarHBondContact O-N 2.97Å; G145-P149 WeakPolarHBondContact O-CD 3.47Å; G145-P149 WeakPolarHBondContact O-CG 3.15Å |
| 146 | Y | 78.7 | Confident | 75.5 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -79.5 | -29.6 | 172.3 | -55 | -85.6 | 0 | 0 | 0 | 112.7 | L139 G142 F144 P149 I150 | L139-Y146 VanDerWaalsContact C-CZ 3.41Å; L139-Y146 HydrophobicContact CB-CD1 3.91Å; L139-Y146 HydrophobicContact CB-CE1 3.57Å; L139-Y146 HydrophobicContact CD1-CD1 4.33Å; L139-Y146 HydrophobicContact CD1-CE1 4.46Å; L139-Y146 HydrophobicContact CD2-CD1 3.96Å; L139-Y146 HydrophobicContact CD2-CG 4.42Å; L139-Y146 HydrophobicContact CG-CD1 4.29Å; L139-Y146 HydrophobicContact CG-CE1 4.39Å; L139-Y146 WeakPolarHBondContact O-CE1 3.23Å; L139-Y146 WeakPolarHBondContact O-CE2 3.25Å; L139-Y146 PolarHBondContact O-OH 3.46Å; G142-Y146 VanDerWaalsContact O-CD2 3.31Å; G142-Y146 WeakPolarHBondContact O-CD2 3.31Å; F144-Y146 VanDerWaalsContact C-N 3.3Å; F144-Y146 PolarHBondContact O-N 3.39Å; Y146-P149 WeakPolarHBondContact O-CD 3.26Å; Y146-I150 WeakPolarHBondContact O-CB 3.34Å; Y146-I150 VanDerWaalsContact O-CD1 3.28Å; Y146-I150 WeakPolarHBondContact O-CD1 3.39Å; Y146-I150 WeakPolarHBondContact O-CG1 3.16Å; Y146-I150 PolarHBondContact O-N 3.3Å; Y146-I150 VanDerWaalsContact O-N 3.16Å |
| 147 | L | 83.5 | Confident | 76 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 37% | 0.372 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | -173.5 | -169.8 | 65.6 | 0 | 0 | 0 | 111.6 | L61 F144 V151 | L61-L147 HydrophobicContact CD2-CD2 4.41Å; F144-L147 HydrophobicContact CD1-CD2 3.99Å; F144-L147 HydrophobicContact CE1-CD2 3.76Å; F144-L147 HydrophobicContact CZ-CD2 4.25Å; F144-L147 PolarHBondContact O-N 2.89Å; L147-V151 HydrophobicContact CD1-CG2 3.86Å; L147-V151 HydrophobicContact CG-CG2 4.11Å; L147-V151 WeakPolarHBondContact O-CB 3.22Å; L147-V151 WeakPolarHBondContact O-CG2 3.3Å; L147-V151 PolarHBondContact O-N 2.84Å |
| 148 | L | 82.2 | Confident | 76.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54 | -58.1 | 177.8 | -115.9 | 93.2 | 0 | 0 | 0 | 113.1 | L61 W62 E65 F89 I92 F144 S152 | L61-L148 HydrophobicContact CB-CD1 3.84Å; L61-L148 HydrophobicContact CB-CG 4.14Å; L61-L148 WeakPolarHBondContact O-CD1 3.44Å; W62-L148 HydrophobicContact CB-CD2 4.18Å; E65-L148 HydrophobicContact CB-CD1 3.78Å; E65-L148 HydrophobicContact CG-CD1 4.3Å; F89-L148 HydrophobicContact CB-CD2 3.78Å; F89-L148 HydrophobicContact CD1-CB 4.45Å; F89-L148 HydrophobicContact CD1-CD2 4Å; F89-L148 HydrophobicContact CG-CD2 3.89Å; I92-L148 HydrophobicContact CD1-CB 4.4Å; I92-L148 HydrophobicContact CD1-CD2 4.36Å; F144-L148 PolarHBondContact O-N 2.95Å; L148-S152 VanDerWaalsContact O-CB 3.24Å; L148-S152 WeakPolarHBondContact O-CB 3.36Å; L148-S152 PolarHBondContact O-N 3.43Å |
| 149 | P | 81.6 | Confident | 77.5 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.032 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | -177.4 | 10.5 | -15 | 0 | 0 | 0 | 113.2 | I92 V133 L139 G145 Y146 S152 F153 | I92-P149 HydrophobicContact CD1-CB 3.98Å; I92-P149 HydrophobicContact CD1-CG 4.23Å; V133-P149 HydrophobicContact CG2-CB 3.47Å; V133-P149 VanDerWaalsContact CG2-CB 3.47Å; V133-P149 HydrophobicContact CG2-CG 4.31Å; L139-P149 HydrophobicContact CD2-CG 3.74Å; G145-P149 WeakPolarHBondContact O-CD 3.47Å; G145-P149 WeakPolarHBondContact O-CG 3.15Å; Y146-P149 WeakPolarHBondContact O-CD 3.26Å; P149-S152 PolarHBondContact O-N 3.07Å; P149-F153 WeakPolarHBondContact O-CB 3.37Å; P149-F153 PolarHBondContact O-N 2.65Å |
| 150 | I | 84.9 | Confident | 78.3 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 178.9 | -68.5 | 168.7 | 0 | 0 | 0 | 110.2 | Y146 F153 I154 | Y146-I150 WeakPolarHBondContact O-CB 3.34Å; Y146-I150 VanDerWaalsContact O-CD1 3.28Å; Y146-I150 WeakPolarHBondContact O-CD1 3.39Å; Y146-I150 WeakPolarHBondContact O-CG1 3.16Å; Y146-I150 PolarHBondContact O-N 3.3Å; Y146-I150 VanDerWaalsContact O-N 3.16Å; I150-F153 PolarHBondContact O-N 2.67Å; I150-I154 HydrophobicContact CG2-CD1 3.79Å; I150-I154 VanDerWaalsContact O-CG1 3.29Å; I150-I154 WeakPolarHBondContact O-CG1 3.48Å; I150-I154 PolarHBondContact O-N 2.89Å |
| 151 | V | 86 | Confident | 79.1 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.9 | 166.4 | 0 | 0 | 0 | 0 | 111.1 | F57 L61 L147 F153 I154 L155 | F57-V151 HydrophobicContact CD1-CG1 3.75Å; F57-V151 HydrophobicContact CE1-CG1 3.39Å; L61-V151 HydrophobicContact CD1-CB 3.97Å; L61-V151 HydrophobicContact CD1-CG1 3.54Å; L61-V151 HydrophobicContact CD1-CG2 4.28Å; L147-V151 HydrophobicContact CD1-CG2 3.86Å; L147-V151 HydrophobicContact CG-CG2 4.11Å; L147-V151 WeakPolarHBondContact O-CB 3.22Å; L147-V151 WeakPolarHBondContact O-CG2 3.3Å; L147-V151 PolarHBondContact O-N 2.84Å; V151-F153 PolarHBondContact O-N 2.97Å; V151-I154 PolarHBondContact O-N 3.3Å; V151-L155 HydrophobicContact CG1-CD1 3.76Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 WeakPolarHBondContact O-CB 3.45Å; V151-L155 WeakPolarHBondContact O-CG 2.91Å; V151-L155 PolarHBondContact O-N 3Å |
| 152 | S | 85.4 | Confident | 79.5 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 177.8 | -180 | 0 | 0 | 0 | 0 | 111.4 | L148 P149 A156 | L148-S152 VanDerWaalsContact O-CB 3.24Å; L148-S152 WeakPolarHBondContact O-CB 3.36Å; L148-S152 PolarHBondContact O-N 3.43Å; P149-S152 PolarHBondContact O-N 3.07Å; S152-A156 WeakPolarHBondContact O-CB 3.32Å; S152-A156 PolarHBondContact O-N 3.21Å |
| 153 | F | 85.2 | Confident | 79.7 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 175.2 | 179.4 | -101.2 | 0 | 0 | 0 | 112.8 | L129 I130 P149 I150 V151 L155 A156 W157 | L129-F153 HydrophobicContact CD1-CB 4.23Å; I130-F153 HydrophobicContact CG1-CE2 4.5Å; P149-F153 WeakPolarHBondContact O-CB 3.37Å; P149-F153 PolarHBondContact O-N 2.65Å; I150-F153 PolarHBondContact O-N 2.67Å; V151-F153 PolarHBondContact O-N 2.97Å; F153-L155 VanDerWaalsContact C-N 3.32Å; F153-L155 PolarHBondContact O-N 2.88Å; F153-A156 PolarHBondContact O-N 3.38Å; F153-W157 AromaticContact CE1-CD1 3.83Å; F153-W157 AromaticContact CE1-NE1 3.93Å; F153-W157 AromaticContact CE2-CD1 3.77Å; F153-W157 AromaticContact CE2-NE1 3.6Å; F153-W157 AromaticContact CZ-CD1 3.53Å; F153-W157 AromaticContact CZ-NE1 3.25Å; F153-W157 PolarHBondContact O-N 3.5Å; F153-W157 VanDerWaalsContact O-N 3.08Å |
| 154 | I | 87.3 | Confident | 79.8 | Confident | 85 Ų | 85 | 51.7 Ų | 51.7 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -44 | 177.4 | -70.4 | 168.3 | 0 | 0 | 0 | 110.2 | I150 V151 A156 W157 I158 | I150-I154 HydrophobicContact CG2-CD1 3.79Å; I150-I154 VanDerWaalsContact O-CG1 3.29Å; I150-I154 WeakPolarHBondContact O-CG1 3.48Å; I150-I154 PolarHBondContact O-N 2.89Å; V151-I154 PolarHBondContact O-N 3.3Å; I154-A156 PolarHBondContact O-N 3.08Å; I154-W157 WeakPolarHBondContact O-CB 3.4Å; I154-W157 PolarHBondContact O-N 3.36Å; I154-I158 HydrophobicContact CG2-CD1 3.61Å; I154-I158 HydrophobicContact CG2-CG1 4.21Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 3.1Å; I154-I158 PolarHBondContact O-N 3.48Å |
| 155 | L | 83.7 | Confident | 79.4 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 178 | -70 | 172.5 | 0 | 0 | 0 | 112.3 | D54 F57 V58 V151 F153 W157 I158 E159 | D54-L155 WeakPolarHBondContact OD1-CB 3.37Å; D54-L155 WeakPolarHBondContact OD1-CD1 3.42Å; F57-L155 HydrophobicContact CB-CD1 4.45Å; F57-L155 HydrophobicContact CD1-CD1 3.6Å; F57-L155 HydrophobicContact CE1-CD1 4.3Å; F57-L155 HydrophobicContact CG-CD1 4.44Å; V58-L155 HydrophobicContact CG2-CD1 4.27Å; V151-L155 HydrophobicContact CG1-CD1 3.76Å; V151-L155 HydrophobicContact CG1-CG 4.2Å; V151-L155 WeakPolarHBondContact O-CB 3.45Å; V151-L155 WeakPolarHBondContact O-CG 2.91Å; V151-L155 PolarHBondContact O-N 3Å; F153-L155 VanDerWaalsContact C-N 3.32Å; F153-L155 PolarHBondContact O-N 2.88Å; L155-W157 VanDerWaalsContact C-N 3.27Å; L155-W157 PolarHBondContact O-N 3.01Å; L155-I158 PolarHBondContact O-N 3.21Å; L155-E159 WeakPolarHBondContact O-CB 3.28Å; L155-E159 VanDerWaalsContact O-CG 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.15Å; L155-E159 PolarHBondContact O-N 2.99Å |
| 156 | A | 81.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R99 S152 F153 I154 T160 | R99-A156 VanDerWaalsContact NH1-N 3.13Å; S152-A156 WeakPolarHBondContact O-CB 3.32Å; S152-A156 PolarHBondContact O-N 3.21Å; F153-A156 PolarHBondContact O-N 3.38Å; I154-A156 PolarHBondContact O-N 3.08Å; A156-T160 WeakPolarHBondContact O-CB 3.33Å; A156-T160 PolarHBondContact O-N 2.89Å; A156-T160 VanDerWaalsContact O-N 3.11Å; A156-T160 PolarHBondContact O-OG1 3.42Å |
| 157 | W | 81.3 | Confident | 77.9 | Confident | 159 Ų | 159 | 55.3 Ų | 55.3 | 60% | 0.602 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.1 | -43.9 | 173.9 | -93.9 | 78.3 | 0 | 0 | 0 | 112.9 | F153 I154 L155 T160 W161 | F153-W157 AromaticContact CE1-CD1 3.83Å; F153-W157 AromaticContact CE1-NE1 3.93Å; F153-W157 AromaticContact CE2-CD1 3.77Å; F153-W157 AromaticContact CE2-NE1 3.6Å; F153-W157 AromaticContact CZ-CD1 3.53Å; F153-W157 AromaticContact CZ-NE1 3.25Å; F153-W157 PolarHBondContact O-N 3.5Å; F153-W157 VanDerWaalsContact O-N 3.08Å; I154-W157 WeakPolarHBondContact O-CB 3.4Å; I154-W157 PolarHBondContact O-N 3.36Å; L155-W157 VanDerWaalsContact C-N 3.27Å; L155-W157 PolarHBondContact O-N 3.01Å; W157-T160 PolarHBondContact O-N 3.36Å; W157-W161 WeakPolarHBondContact O-CB 3.37Å; W157-W161 PolarHBondContact O-N 2.89Å |
| 158 | I | 81.2 | Confident | 76.7 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 35% | 0.349 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.7 | -42 | 179 | -63.6 | 168.2 | 0 | 0 | 0 | 110.8 | F50 I154 L155 W161 L162 | F50-I158 HydrophobicContact CE1-CB 4.45Å; F50-I158 HydrophobicContact CE1-CG2 3.9Å; F50-I158 HydrophobicContact CE2-CG2 4.25Å; F50-I158 HydrophobicContact CZ-CB 4.14Å; F50-I158 HydrophobicContact CZ-CG2 3.37Å; I154-I158 HydrophobicContact CG2-CD1 3.61Å; I154-I158 HydrophobicContact CG2-CG1 4.21Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 3.1Å; I154-I158 PolarHBondContact O-N 3.48Å; L155-I158 PolarHBondContact O-N 3.21Å; I158-W161 PolarHBondContact O-N 2.9Å; I158-L162 HydrophobicContact CG2-CD1 4.01Å; I158-L162 WeakPolarHBondContact O-CB 3.48Å; I158-L162 PolarHBondContact O-N 3.01Å |
| 159 | E | 76.6 | Confident | 75.4 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 175.1 | -78.9 | -172.6 | 165.4 | 0 | 0 | 112 | F50 D54 R99 L103 L155 W161 L162 L163 | F50-E159 HydrophobicContact CD1-CB 4.48Å; F50-E159 HydrophobicContact CD1-CG 3.67Å; F50-E159 HydrophobicContact CE1-CB 4.14Å; F50-E159 HydrophobicContact CE1-CG 3.39Å; D54-E159 WeakPolarHBondContact CB-OE1 3.45Å; R99-E159 WeakPolarHBondContact CD-OE2 3.19Å; R99-E159 IonicContact CZ-OE1 2.67Å; R99-E159 IonicContact CZ-OE2 3.07Å; R99-E159 IonicContact NE-OE2 3.12Å; R99-E159 PolarHBondContact NE-OE2 3.18Å; R99-E159 VanDerWaalsContact NE-OE2 3.12Å; R99-E159 IonicContact NH1-OE1 3.79Å; R99-E159 IonicContact NH1-OE2 2.63Å; R99-E159 PolarHBondContact NH1-OE2 3.23Å; L103-E159 WeakPolarHBondContact CD1-OE2 3.49Å; L155-E159 WeakPolarHBondContact O-CB 3.28Å; L155-E159 VanDerWaalsContact O-CG 3.31Å; L155-E159 WeakPolarHBondContact O-CG 3.15Å; L155-E159 PolarHBondContact O-N 2.99Å; E159-W161 VanDerWaalsContact C-N 3.34Å; E159-L162 PolarHBondContact O-N 3.46Å; E159-L163 WeakPolarHBondContact O-CB 3.36Å; E159-L163 WeakPolarHBondContact O-CG 3.4Å; E159-L163 PolarHBondContact O-N 2.64Å |
| 160 | T | 76.4 | Confident | 74.3 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | T122 A156 W157 L163 D164 | T122-T160 WeakPolarHBondContact CG2-OG1 3.34Å; A156-T160 WeakPolarHBondContact O-CB 3.33Å; A156-T160 PolarHBondContact O-N 2.89Å; A156-T160 VanDerWaalsContact O-N 3.11Å; A156-T160 PolarHBondContact O-OG1 3.42Å; W157-T160 PolarHBondContact O-N 3.36Å; T160-L163 WeakPolarHBondContact O-CB 3.22Å; T160-L163 PolarHBondContact O-N 2.82Å; T160-D164 WeakPolarHBondContact O-CB 3.32Å; T160-D164 PolarHBondContact O-N 2.82Å |
| 161 | W | 77.9 | Confident | 73.2 | Confident | 145 Ų | 145 | 56 Ų | 56 | 55% | 0.549 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.6 | -170.6 | 87.8 | 0 | 0 | 0 | 111.8 | W157 I158 E159 D164 F165 | W157-W161 WeakPolarHBondContact O-CB 3.37Å; W157-W161 PolarHBondContact O-N 2.89Å; I158-W161 PolarHBondContact O-N 2.9Å; E159-W161 VanDerWaalsContact C-N 3.34Å; W161-D164 PolarHBondContact O-N 3.38Å; W161-F165 AromaticContact CD1-CD2 3.31Å; W161-F165 AromaticContact CD1-CE2 3.31Å; W161-F165 AromaticContact CD2-CD2 3.88Å; W161-F165 HydrophobicContact CD2-CD2 3.88Å; W161-F165 AromaticContact CE2-CD2 3.51Å; W161-F165 AromaticContact CE2-CE2 3.99Å; W161-F165 AromaticContact CG-CD2 3.76Å; W161-F165 HydrophobicContact CG-CD2 3.76Å; W161-F165 HydrophobicContact CG-CE2 4.19Å; W161-F165 HydrophobicContact CZ2-CB 4.47Å; W161-F165 HydrophobicContact CZ2-CD2 4.2Å; W161-F165 HydrophobicContact CZ2-CG 4.3Å; W161-F165 AromaticContact NE1-CD2 3.12Å; W161-F165 AromaticContact NE1-CE2 3.15Å; W161-F165 WeakPolarHBondContact O-CB 3.29Å; W161-F165 PolarHBondContact O-N 3.28Å |
| 162 | L | 72.9 | Confident | 71.9 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 174.9 | -92.2 | 167.4 | 0 | 0 | 0 | 112.5 | F50 I158 E159 D164 K166 | F50-L162 HydrophobicContact CD1-CD1 3.6Å; F50-L162 HydrophobicContact CD2-CD1 3.74Å; F50-L162 HydrophobicContact CE1-CD1 3.59Å; F50-L162 HydrophobicContact CE2-CD1 3.73Å; F50-L162 HydrophobicContact CG-CD1 3.69Å; F50-L162 HydrophobicContact CZ-CD1 3.68Å; I158-L162 HydrophobicContact CG2-CD1 4.01Å; I158-L162 WeakPolarHBondContact O-CB 3.48Å; I158-L162 PolarHBondContact O-N 3.01Å; E159-L162 PolarHBondContact O-N 3.46Å; L162-D164 VanDerWaalsContact C-N 3.32Å; L162-K166 HydrophobicContact CD2-CB 4.41Å; L162-K166 HydrophobicContact CD2-CD 3.77Å; L162-K166 WeakPolarHBondContact O-CB 3.36Å; L162-K166 PolarHBondContact O-N 2.66Å |
| 163 | L | 72.1 | Confident | 70.7 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -59.3 | -45.2 | 172.2 | -87 | 164.2 | 0 | 0 | 0 | 111.4 | F47 L103 V118 E159 T160 L168 | F47-L163 HydrophobicContact CD2-CD2 3.73Å; F47-L163 HydrophobicContact CD2-CG 4.1Å; F47-L163 HydrophobicContact CE2-CD1 3.94Å; F47-L163 HydrophobicContact CE2-CD2 3.16Å; F47-L163 HydrophobicContact CE2-CG 3.49Å; F47-L163 VanDerWaalsContact CE2-CG 3.49Å; F47-L163 HydrophobicContact CZ-CD1 4.47Å; F47-L163 HydrophobicContact CZ-CD2 3.64Å; F47-L163 HydrophobicContact CZ-CG 4.3Å; L103-L163 HydrophobicContact CD2-CD1 3.38Å; V118-L163 HydrophobicContact CG1-CD1 3.5Å; V118-L163 VanDerWaalsContact CG1-CD1 3.5Å; V118-L163 HydrophobicContact CG1-CG 4.43Å; E159-L163 WeakPolarHBondContact O-CB 3.36Å; E159-L163 WeakPolarHBondContact O-CG 3.4Å; E159-L163 PolarHBondContact O-N 2.64Å; T160-L163 WeakPolarHBondContact O-CB 3.22Å; T160-L163 PolarHBondContact O-N 2.82Å; L163-L168 VanDerWaalsContact O-CD1 3.25Å; L163-L168 WeakPolarHBondContact O-CD1 3.44Å |
| 164 | D | 70.6 | Confident | 69.5 | Low | 50 Ų | 50 | 63.9 Ų | 63.9 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -75.3 | -52.6 | -171.3 | -163.3 | 25.5 | 0 | 0 | 0 | 113 | W115 T160 W161 L162 | W115-D164 HydrophobicContact CZ2-CB 4.42Å; W115-D164 WeakPolarHBondContact CZ2-OD1 2.8Å; W115-D164 WeakPolarHBondContact CZ2-OD2 3.37Å; W115-D164 PolarHBondContact NE1-OD1 3.48Å; T160-D164 WeakPolarHBondContact O-CB 3.32Å; T160-D164 PolarHBondContact O-N 2.82Å; W161-D164 PolarHBondContact O-N 3.38Å; L162-D164 VanDerWaalsContact C-N 3.32Å |
| 165 | F | 62.4 | Low | 68.4 | Low | 126 Ų | 126 | 64.5 Ų | 64.5 | 55% | 0.553 | 30% | 0.304 | S | S | * | . | I | π-helix | trans | -86 | -19.6 | -172.8 | -76.8 | -80.1 | 0 | 0 | 0 | 114.9 | W161 | W161-F165 AromaticContact CD1-CD2 3.31Å; W161-F165 AromaticContact CD1-CE2 3.31Å; W161-F165 AromaticContact CD2-CD2 3.88Å; W161-F165 HydrophobicContact CD2-CD2 3.88Å; W161-F165 AromaticContact CE2-CD2 3.51Å; W161-F165 AromaticContact CE2-CE2 3.99Å; W161-F165 AromaticContact CG-CD2 3.76Å; W161-F165 HydrophobicContact CG-CD2 3.76Å; W161-F165 HydrophobicContact CG-CE2 4.19Å; W161-F165 HydrophobicContact CZ2-CB 4.47Å; W161-F165 HydrophobicContact CZ2-CD2 4.2Å; W161-F165 HydrophobicContact CZ2-CG 4.3Å; W161-F165 AromaticContact NE1-CD2 3.12Å; W161-F165 AromaticContact NE1-CE2 3.15Å; W161-F165 WeakPolarHBondContact O-CB 3.29Å; W161-F165 PolarHBondContact O-N 3.28Å |
| 166 | K | 62.1 | Low | 67.4 | Low | 127 Ų | 127 | 67 Ų | 67 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | I | π-helix | trans | -122.6 | -24.2 | -165.9 | -146.4 | 178.1 | 171.2 | 73.2 | 0 | 114.7 | L162 | L162-K166 HydrophobicContact CD2-CB 4.41Å; L162-K166 HydrophobicContact CD2-CD 3.77Å; L162-K166 WeakPolarHBondContact O-CB 3.36Å; L162-K166 PolarHBondContact O-N 2.66Å |
| 167 | V | 60.6 | Low | 66.8 | Low | 11 Ų | 11 | 73.9 Ų | 73.9 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -102 | -42.5 | -175.6 | 162.7 | 0 | 0 | 0 | 0 | 112.1 | V43 F47 L112 E171 | V43-V167 HydrophobicContact CG1-CB 4.1Å; V43-V167 HydrophobicContact CG1-CG1 4.35Å; V43-V167 HydrophobicContact CG1-CG2 3.58Å; F47-V167 HydrophobicContact CB-CG2 4.22Å; L112-V167 HydrophobicContact CD2-CG1 3.51Å; V167-E171 WeakPolarHBondContact O-CB 3.26Å; V167-E171 WeakPolarHBondContact O-CG 3.46Å; V167-E171 PolarHBondContact O-N 3.35Å; V167-E171 VanDerWaalsContact O-N 3.08Å |
| 168 | L | 58 | Low | 66.2 | Low | 33 Ų | 33 | 74.2 Ų | 74.2 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.1 | -35.9 | -175.1 | -64.2 | 144.5 | 0 | 0 | 0 | 115.6 | L112 W115 L163 N172 | L112-L168 HydrophobicContact CB-CD2 4.46Å; L112-L168 HydrophobicContact CD2-CD2 4.21Å; W115-L168 HydrophobicContact CB-CD1 4.35Å; W115-L168 HydrophobicContact CB-CD2 4.13Å; W115-L168 HydrophobicContact CD2-CD1 4.4Å; W115-L168 HydrophobicContact CG-CD1 3.68Å; W115-L168 HydrophobicContact CG-CD2 4.35Å; L163-L168 VanDerWaalsContact O-CD1 3.25Å; L163-L168 WeakPolarHBondContact O-CD1 3.44Å; L168-N172 WeakPolarHBondContact O-CB 3.39Å; L168-N172 PolarHBondContact O-N 2.84Å; L168-N172 PolarHBondContact O-ND2 3.33Å |
| 169 | P | 55.4 | Low | 65.7 | Low | 51 Ų | 51 | 77.4 Ų | 77.4 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.4 | -50.3 | 172.8 | -19.5 | 32.1 | 0 | 0 | 0 | 109.9 | E171 N172 E173 | P169-E171 PolarHBondContact O-N 3.49Å; P169-N172 WeakPolarHBondContact CA-ND2 3.38Å; P169-N172 PolarHBondContact O-N 2.9Å; P169-N172 PolarHBondContact O-ND2 3.01Å; P169-N172 PolarHBondContact O-OD1 3.38Å; P169-E173 WeakPolarHBondContact O-CB 3.19Å; P169-E173 WeakPolarHBondContact O-CG 3.4Å; P169-E173 PolarHBondContact O-N 2.68Å |
| 170 | Q | 57.9 | Low | 65.5 | Low | 85 Ų | 85 | 80.1 Ų | 80.1 | 40% | 0.397 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | -172.7 | -165.7 | 166.4 | -13.8 | 0 | 0 | 112.9 | V43 D174 | V43-Q170 HydrophobicContact CG2-CB 4.42Å; V43-Q170 HydrophobicContact CG2-CG 3.92Å; V43-Q170 VanDerWaalsContact CG2-NE2 3.27Å; Q170-D174 WeakPolarHBondContact O-CB 3.42Å; Q170-D174 VanDerWaalsContact O-CG 3.26Å; Q170-D174 PolarHBondContact O-N 3.31Å |
| 171 | E | 62.2 | Low | 65.3 | Low | 19 Ų | 19 | 84.8 Ų | 84.8 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -75.3 | -30.9 | 175.4 | -69.4 | -157.8 | 91.7 | 0 | 0 | 113.8 | R44 L112 V167 P169 E173 E175 | R44-E171 IonicContact CZ-OE1 3.53Å; R44-E171 IonicContact NE-OE1 3.17Å; R44-E171 PolarHBondContact NE-OE1 3.42Å; R44-E171 IonicContact NH2-OE1 2.55Å; R44-E171 PolarHBondContact NH2-OE1 3.35Å; L112-E171 VanDerWaalsContact CD1-CD 3.47Å; L112-E171 WeakPolarHBondContact CD1-OE2 3.42Å; L112-E171 WeakPolarHBondContact CD2-OE2 3.21Å; V167-E171 WeakPolarHBondContact O-CB 3.26Å; V167-E171 WeakPolarHBondContact O-CG 3.46Å; V167-E171 PolarHBondContact O-N 3.35Å; V167-E171 VanDerWaalsContact O-N 3.08Å; P169-E171 PolarHBondContact O-N 3.49Å; E171-E173 VanDerWaalsContact C-N 3.33Å; E171-E175 PolarHBondContact O-N 3.16Å |
| 172 | N | 58.9 | Low | 64.9 | Low | 96 Ų | 96 | 82.4 Ų | 82.4 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.7 | -34.3 | 172.9 | 88 | 47.6 | 0 | 0 | 0 | 111.4 | L168 P169 S176 | L168-N172 WeakPolarHBondContact O-CB 3.39Å; L168-N172 PolarHBondContact O-N 2.84Å; L168-N172 PolarHBondContact O-ND2 3.33Å; P169-N172 WeakPolarHBondContact CA-ND2 3.38Å; P169-N172 PolarHBondContact O-N 2.9Å; P169-N172 PolarHBondContact O-ND2 3.01Å; P169-N172 PolarHBondContact O-OD1 3.38Å; N172-S176 VanDerWaalsContact O-CB 3.22Å; N172-S176 WeakPolarHBondContact O-CB 3.33Å; N172-S176 PolarHBondContact O-N 2.93Å; N172-S176 PolarHBondContact O-OG 2.93Å |
| 173 | E | 59.3 | Low | 64.8 | Low | 103 Ų | 103 | 83.6 Ų | 83.6 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.5 | -38.5 | 177.8 | -73.4 | 175.1 | 127.4 | 0 | 0 | 110.7 | P169 E171 S176 R177 | P169-E173 WeakPolarHBondContact O-CB 3.19Å; P169-E173 WeakPolarHBondContact O-CG 3.4Å; P169-E173 PolarHBondContact O-N 2.68Å; E171-E173 VanDerWaalsContact C-N 3.33Å; E173-S176 WeakPolarHBondContact CA-OG 3.3Å; E173-S176 PolarHBondContact O-OG 2.97Å; E173-R177 WeakPolarHBondContact O-CB 3.21Å; E173-R177 PolarHBondContact O-N 2.76Å |
| 174 | D | 61.2 | Low | 64.7 | Low | 67 Ų | 67 | 85.9 Ų | 85.9 | 36% | 0.358 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.4 | -42.6 | 176.3 | -74 | -23 | 0 | 0 | 0 | 112.2 | Q170 Y178 | Q170-D174 WeakPolarHBondContact O-CB 3.42Å; Q170-D174 VanDerWaalsContact O-CG 3.26Å; Q170-D174 PolarHBondContact O-N 3.31Å; D174-Y178 WeakPolarHBondContact O-CB 3.41Å; D174-Y178 PolarHBondContact O-N 2.92Å |
| 175 | E | 63.3 | Low | 64.5 | Low | 99 Ų | 99 | 88.6 Ų | 88.6 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 173.4 | -87.3 | -167.6 | 140.2 | 0 | 0 | 111.4 | K111 E171 R177 Y178 Q179 | K111-E175 IonicContact NZ-OE1 3.67Å; K111-E175 PolarHBondContact NZ-OE1 3.28Å; E171-E175 PolarHBondContact O-N 3.16Å; E175-R177 PolarHBondContact O-N 2.87Å; E175-Y178 PolarHBondContact O-N 2.87Å; E175-Q179 WeakPolarHBondContact O-CB 3.37Å; E175-Q179 PolarHBondContact O-N 2.79Å |
| 176 | S | 63.8 | Low | 64.4 | Low | 67 Ų | 67 | 90.4 Ų | 90.4 | 47% | 0.469 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | N172 E173 Q179 S180 | N172-S176 VanDerWaalsContact O-CB 3.22Å; N172-S176 WeakPolarHBondContact O-CB 3.33Å; N172-S176 PolarHBondContact O-N 2.93Å; N172-S176 PolarHBondContact O-OG 2.93Å; E173-S176 WeakPolarHBondContact CA-OG 3.3Å; E173-S176 PolarHBondContact O-OG 2.97Å; S176-Q179 PolarHBondContact O-N 2.81Å; S176-S180 WeakPolarHBondContact O-CB 3.32Å; S176-S180 PolarHBondContact O-N 3.25Å; S176-S180 PolarHBondContact O-OG 2.84Å |
| 177 | R | 67.9 | Low | 64.3 | Low | 146 Ų | 146 | 92.8 Ų | 92.8 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.7 | -49.9 | 172.4 | -170.6 | 179.2 | -60.8 | 168.3 | 5.4 | 110.3 | E173 E175 Q179 S180 F181 | E173-R177 WeakPolarHBondContact O-CB 3.21Å; E173-R177 PolarHBondContact O-N 2.76Å; E175-R177 PolarHBondContact O-N 2.87Å; R177-Q179 VanDerWaalsContact C-N 3.31Å; R177-Q179 PolarHBondContact O-N 2.92Å; R177-S180 WeakPolarHBondContact CA-OG 3.34Å; R177-S180 PolarHBondContact O-N 2.86Å; R177-S180 VanDerWaalsContact O-N 3.16Å; R177-S180 PolarHBondContact O-OG 3.38Å; R177-F181 HydrophobicContact CG-CD2 3.72Å; R177-F181 HydrophobicContact CG-CE2 3.69Å; R177-F181 VanDerWaalsContact O-CD2 3.3Å; R177-F181 WeakPolarHBondContact O-CD2 3.42Å; R177-F181 PolarHBondContact O-N 3.21Å |
| 178 | Y | 69.8 | Low | 63.7 | Low | 167 Ų | 167 | 94.9 Ų | 94.9 | 66% | 0.655 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 178.4 | -147.9 | -92.8 | 0 | 0 | 0 | 112.3 | D174 E175 F181 L182 | D174-Y178 WeakPolarHBondContact O-CB 3.41Å; D174-Y178 PolarHBondContact O-N 2.92Å; E175-Y178 PolarHBondContact O-N 2.87Å; Y178-F181 PolarHBondContact O-N 3.36Å; Y178-L182 HydrophobicContact CD1-CD1 3.84Å; Y178-L182 HydrophobicContact CD1-CG 4.12Å; Y178-L182 HydrophobicContact CE1-CD1 4.01Å; Y178-L182 HydrophobicContact CE1-CG 4.25Å; Y178-L182 WeakPolarHBondContact O-CG 3.19Å; Y178-L182 PolarHBondContact O-N 3.48Å |
| 179 | Q | 71 | Confident | 63.1 | Low | 135 Ų | 135 | 98.8 Ų | 98.8 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 175.2 | -152.3 | 93.5 | 28.5 | 0 | 0 | 111.4 | E175 S176 R177 F181 L182 D183 | E175-Q179 WeakPolarHBondContact O-CB 3.37Å; E175-Q179 PolarHBondContact O-N 2.79Å; S176-Q179 PolarHBondContact O-N 2.81Å; R177-Q179 VanDerWaalsContact C-N 3.31Å; R177-Q179 PolarHBondContact O-N 2.92Å; Q179-F181 VanDerWaalsContact C-N 3.33Å; Q179-F181 PolarHBondContact O-N 2.88Å; Q179-L182 PolarHBondContact O-N 2.81Å; Q179-D183 WeakPolarHBondContact O-CB 3.4Å; Q179-D183 PolarHBondContact O-N 2.6Å |
| 180 | S | 71.5 | Confident | 62.9 | Low | 63 Ų | 63 | 104.9 Ų | 104.9 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -34.8 | 176.5 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | S176 R177 A184 | S176-S180 WeakPolarHBondContact O-CB 3.32Å; S176-S180 PolarHBondContact O-N 3.25Å; S176-S180 PolarHBondContact O-OG 2.84Å; R177-S180 WeakPolarHBondContact CA-OG 3.34Å; R177-S180 PolarHBondContact O-N 2.86Å; R177-S180 VanDerWaalsContact O-N 3.16Å; R177-S180 PolarHBondContact O-OG 3.38Å; S180-A184 WeakPolarHBondContact O-CB 3.27Å; S180-A184 PolarHBondContact O-N 3.08Å |
| 181 | F | 72.2 | Confident | 62.4 | Low | 138 Ų | 138 | 109.6 Ų | 109.6 | 61% | 0.605 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.1 | -44.4 | 174.6 | -94.2 | -90.7 | 0 | 0 | 0 | 111.4 | R177 Y178 Q179 A184 V185 | R177-F181 HydrophobicContact CG-CD2 3.72Å; R177-F181 HydrophobicContact CG-CE2 3.69Å; R177-F181 VanDerWaalsContact O-CD2 3.3Å; R177-F181 WeakPolarHBondContact O-CD2 3.42Å; R177-F181 PolarHBondContact O-N 3.21Å; Y178-F181 PolarHBondContact O-N 3.36Å; Q179-F181 VanDerWaalsContact C-N 3.33Å; Q179-F181 PolarHBondContact O-N 2.88Å; F181-A184 PolarHBondContact O-N 3.16Å; F181-V185 WeakPolarHBondContact O-CB 3.14Å; F181-V185 VanDerWaalsContact O-CG2 3.23Å; F181-V185 WeakPolarHBondContact O-CG2 3.23Å; F181-V185 PolarHBondContact O-N 2.73Å |
| 182 | L | 70.6 | Confident | 61.6 | Low | 95 Ų | 95 | 111 Ų | 111 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -43 | 174.3 | -72.2 | 178.4 | 0 | 0 | 0 | 111.5 | Y178 Q179 V185 E186 | Y178-L182 HydrophobicContact CD1-CD1 3.84Å; Y178-L182 HydrophobicContact CD1-CG 4.12Å; Y178-L182 HydrophobicContact CE1-CD1 4.01Å; Y178-L182 HydrophobicContact CE1-CG 4.25Å; Y178-L182 WeakPolarHBondContact O-CG 3.19Å; Y178-L182 PolarHBondContact O-N 3.48Å; Q179-L182 PolarHBondContact O-N 2.81Å; L182-V185 PolarHBondContact O-N 3.39Å; L182-E186 WeakPolarHBondContact O-CB 3.38Å; L182-E186 PolarHBondContact O-N 2.88Å |
| 183 | D | 70.7 | Confident | 60.9 | Low | 66 Ų | 66 | 113 Ų | 113 | 35% | 0.353 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.4 | -36.8 | 177.1 | -168.6 | 71.1 | 0 | 0 | 0 | 111.8 | Q179 E186 R187 | Q179-D183 WeakPolarHBondContact O-CB 3.4Å; Q179-D183 PolarHBondContact O-N 2.6Å; D183-E186 PolarHBondContact O-N 3.02Å; D183-R187 WeakPolarHBondContact O-CB 2.84Å; D183-R187 WeakPolarHBondContact O-CG 3.45Å; D183-R187 PolarHBondContact O-N 3.22Å; D183-R187 IonicContact OD1-CZ 2.84Å; D183-R187 IonicContact OD1-NH1 2.65Å; D183-R187 PolarHBondContact OD1-NH1 3.38Å; D183-R187 IonicContact OD2-CZ 3.87Å; D183-R187 IonicContact OD2-NH1 3.05Å; D183-R187 PolarHBondContact OD2-NH1 3.43Å |
| 184 | A | 69.4 | Low | 60.3 | Low | 60 Ų | 60 | 111 Ų | 111 | 50% | 0.496 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.2 | -33 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S180 F181 A188 | S180-A184 WeakPolarHBondContact O-CB 3.27Å; S180-A184 PolarHBondContact O-N 3.08Å; F181-A184 PolarHBondContact O-N 3.16Å; A184-A188 VanDerWaalsContact O-CB 3.27Å; A184-A188 WeakPolarHBondContact O-CB 3.23Å; A184-A188 PolarHBondContact O-N 3.01Å |
| 185 | V | 66.1 | Low | 59.5 | Low | 107 Ų | 107 | 113.7 Ų | 113.7 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.6 | -37.7 | 173.1 | 167.9 | 0 | 0 | 0 | 0 | 111 | F181 L182 | F181-V185 WeakPolarHBondContact O-CB 3.14Å; F181-V185 VanDerWaalsContact O-CG2 3.23Å; F181-V185 WeakPolarHBondContact O-CG2 3.23Å; F181-V185 PolarHBondContact O-N 2.73Å; L182-V185 PolarHBondContact O-N 3.39Å |
| 186 | E | 60.3 | Low | 58.9 | Low | 164 Ų | 164 | 117.2 Ų | 117.2 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.1 | -34.9 | 175.8 | -168.7 | 179.4 | 171.8 | 0 | 0 | 111.6 | L182 D183 | L182-E186 WeakPolarHBondContact O-CB 3.38Å; L182-E186 PolarHBondContact O-N 2.88Å; D183-E186 PolarHBondContact O-N 3.02Å |
| 187 | R | 59.3 | Low | 58 | Low | 177 Ų | 177 | 119.6 Ų | 119.6 | 67% | 0.668 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -85.8 | -9.8 | 174.5 | -72.3 | -169.8 | 160.4 | 88.9 | 19.1 | 114.4 | D183 P189 | D183-R187 WeakPolarHBondContact O-CB 2.84Å; D183-R187 WeakPolarHBondContact O-CG 3.45Å; D183-R187 PolarHBondContact O-N 3.22Å; D183-R187 IonicContact OD1-CZ 2.84Å; D183-R187 IonicContact OD1-NH1 2.65Å; D183-R187 PolarHBondContact OD1-NH1 3.38Å; D183-R187 IonicContact OD2-CZ 3.87Å; D183-R187 IonicContact OD2-NH1 3.05Å; D183-R187 PolarHBondContact OD2-NH1 3.43Å; R187-P189 VanDerWaalsContact O-CD 3.23Å; R187-P189 WeakPolarHBondContact O-CD 3.15Å |
| 188 | A | 48.5 | Very low | 57.2 | Low | 55 Ų | 55 | 120.5 Ų | 120.5 | 46% | 0.455 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -66 | 115 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | A184 L190 | A184-A188 VanDerWaalsContact O-CB 3.27Å; A184-A188 WeakPolarHBondContact O-CB 3.23Å; A184-A188 PolarHBondContact O-N 3.01Å; A188-L190 PolarHBondContact O-N 3.12Å; A188-L190 VanDerWaalsContact O-N 3.16Å |
| 189 | P | 45.5 | Very low | 56.4 | Low | 115 Ų | 115 | 115.2 Ų | 115.2 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | trans | -61.1 | 124.9 | 177.4 | -15.8 | 29.2 | 0 | 0 | 0 | 108.2 | R187 M191 | R187-P189 VanDerWaalsContact O-CD 3.23Å; R187-P189 WeakPolarHBondContact O-CD 3.15Å; P189-M191 PolarHBondContact O-N 3.41Å | ||
| 190 | L | 51.4 | Low | 55.7 | Low | 179 Ų | 179 | 117 Ų | 117 | 94% | 0.937 | 68% | 0.683 | S | S | * | * | trans | -61.5 | 82.3 | 166.1 | -78.6 | 169.9 | 0 | 0 | 0 | 108.7 | A188 G192 | A188-L190 PolarHBondContact O-N 3.12Å; A188-L190 VanDerWaalsContact O-N 3.16Å; L190-G192 PolarHBondContact O-N 3.38Å | ||
| 191 | M | 48.3 | Very low | 54.4 | Low | 183 Ų | 183 | 123.6 Ų | 123.6 | 90% | 0.901 | 70% | 0.704 | S | S | * | * | trans | -68.4 | 87.8 | 159.7 | -78.9 | -174.4 | 83.6 | 0 | 0 | 106.6 | P189 | P189-M191 PolarHBondContact O-N 3.41Š| ||
| 192 | G | 44.3 | Very low | 53.6 | Low | 48 Ų | 48 | 126.9 Ų | 126.9 | 50% | 0.495 | 71% | 0.713 | S | S | . | * | trans | -55.7 | 160.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L190 G194 | L190-G192 PolarHBondContact O-N 3.38Å; G192-G194 VanDerWaalsContact C-N 3.31Å; G192-G194 PolarHBondContact O-N 2.84Å | ||
| 193 | P | 45 | Very low | 53 | Low | 139 Ų | 139 | 127.2 Ų | 127.2 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | trans | -66 | 95.1 | 176.6 | 26.9 | -29.5 | 0 | 0 | 0 | 108.4 | ||||
| 194 | G | 45.7 | Very low | 51.8 | Low | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | trans | -67.7 | 140.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G192 L196 | G192-G194 VanDerWaalsContact C-N 3.31Å; G192-G194 PolarHBondContact O-N 2.84Å; G194-L196 PolarHBondContact O-N 3.2Å | ||
| 195 | P | 45.1 | Very low | 50.6 | Low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -61.7 | 139.5 | -179.3 | 25.5 | -31.3 | 0 | 0 | 0 | 110.2 | S197 | P195-S197 PolarHBondContact O-N 3.3Š| ||
| 196 | L | 51 | Low | 49.5 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -37.3 | 106.6 | 176.2 | -61.2 | 169.6 | 0 | 0 | 0 | 111.3 | G194 | G194-L196 PolarHBondContact O-N 3.2Š| ||
| 197 | S | 45.6 | Very low | 48.7 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | -97.4 | 90.2 | 167.2 | -171.1 | 0 | 0 | 0 | 0 | 107.6 | P195 G199 | P195-S197 PolarHBondContact O-N 3.3Å; S197-G199 PolarHBondContact O-N 2.78Å | ||
| 198 | D | 50.6 | Low | 48.3 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -55.5 | 115.3 | 161 | -83.4 | -36.2 | 0 | 0 | 0 | 108.4 | ||||
| 199 | G | 53.1 | Low | 48.3 | Very low | 57 Ų | 57 | 134.5 Ų | 134.5 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | trans | -179.8 | 60.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S197 F201 | S197-G199 PolarHBondContact O-N 2.78Å; G199-F201 PolarHBondContact O-N 2.7Å | ||
| 200 | Q | 56.6 | Low | 48.5 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 25.5 | 90.9 | 142.3 | -137.9 | 103.6 | -28.1 | 0 | 0 | 116.9 | ||||
| 201 | F | 43.7 | Very low | 48.2 | Very low | 200 Ų | 200 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -125.5 | 104.8 | 157.7 | -111 | -93 | 0 | 0 | 0 | 108.8 | G199 S203 | G199-F201 PolarHBondContact O-N 2.7Å; F201-S203 PolarHBondContact O-N 3.07Å | ||
| 202 | Y | 55.5 | Low | 48.4 | Very low | 207 Ų | 207 | 131.1 Ų | 131.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -75.6 | 114.4 | 168.9 | -102.6 | -94.1 | 0 | 0 | 0 | 108.2 | ||||
| 203 | S | 57.2 | Low | 48.5 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 126.4 | 160.6 | -65 | 0 | 0 | 0 | 0 | 108.6 | F201 | F201-S203 PolarHBondContact O-N 3.07Š|
| 204 | P | 45.1 | Very low | 48.5 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 152.3 | 173.4 | -13.9 | 28.2 | 0 | 0 | 0 | 111.2 | ||
| 205 | P | 45 | Very low | 48.3 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 151.3 | 176.6 | 29.4 | -32.4 | 0 | 0 | 0 | 111.9 | ||
| 206 | E | 43.7 | Very low | 48.2 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 129.7 | -171.8 | -59.7 | -174.9 | 105.7 | 0 | 0 | 115.3 | L208 | E206-L208 PolarHBondContact O-N 3.5Š|
| 207 | S | 43.6 | Very low | 47.6 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -84.1 | 101.1 | 161.4 | 174.7 | 0 | 0 | 0 | 0 | 108.7 | A209 | S207-A209 PolarHBondContact O-N 3.02Š| ||
| 208 | L | 50.8 | Low | 47.5 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -62.6 | 97.9 | 155.2 | -68.9 | 171.3 | 0 | 0 | 0 | 107.9 | E206 | E206-L208 PolarHBondContact O-N 3.5Š| ||
| 209 | A | 48.5 | Very low | 47 | Very low | 70 Ų | 70 | 149.7 Ų | 149.7 | 58% | 0.579 | 79% | 0.787 | S | S | * | * | trans | -137.2 | 88.2 | 169 | 0 | 0 | 0 | 0 | 0 | 108 | S207 | S207-A209 PolarHBondContact O-N 3.02Š| ||
| 210 | D | 49.5 | Very low | 46.7 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | 22.3 | 109.3 | 126.8 | -155.2 | 30.5 | 0 | 0 | 0 | 115.6 | |||||
| 211 | S | 44.4 | Very low | 46.2 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -143.3 | 75.2 | 162.6 | -68.1 | 0 | 0 | 0 | 0 | 107.4 | E213 | S211-E213 PolarHBondContact O-N 3.21Š| ||
| 212 | D | 52.4 | Low | 45.9 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 105.6 | 150.5 | -86.6 | -20.7 | 0 | 0 | 0 | 107.7 | ||||
| 213 | E | 46.4 | Very low | 45.1 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -153 | 101 | 150 | -65.5 | -157.1 | 157.5 | 0 | 0 | 110.3 | S211 | S211-E213 PolarHBondContact O-N 3.21Š| ||
| 214 | D | 44.3 | Very low | 44.2 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 51.9 | 105.6 | 141.6 | -54.8 | -35.9 | 0 | 0 | 0 | 121.9 | ||||
| 215 | L | 41.5 | Very low | 44.3 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -134.9 | 101.2 | 140.3 | -71.9 | 179.6 | 0 | 0 | 0 | 110.6 | Y217 | L215-Y217 PolarHBondContact O-N 3.38Å; L215-Y217 VanDerWaalsContact O-N 3.08Å | ||
| 216 | E | 44.3 | Very low | 44.4 | Very low | 187 Ų | 187 | 151.8 Ų | 151.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -58.1 | 101.9 | 174 | -171.4 | 172.5 | 146.7 | 0 | 0 | 111.2 | K218 | E216-K218 PolarHBondContact O-N 3.47Š| ||
| 217 | Y | 38.7 | Very low | 44.1 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 95.7 | 173 | -163.5 | -94.4 | 0 | 0 | 0 | 109.3 | L215 H219 | L215-Y217 PolarHBondContact O-N 3.38Å; L215-Y217 VanDerWaalsContact O-N 3.08Å; Y217-H219 VanDerWaalsContact C-N 3.29Å; Y217-H219 HydrophobicContact CD1-CB 3.91Å; Y217-H219 HydrophobicContact CE1-CB 4.02Å; Y217-H219 PolarHBondContact O-N 3.42Å | ||
| 218 | K | 43.7 | Very low | 43.9 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -71.9 | 85.9 | 170.2 | -160.7 | 170.4 | -177.2 | 173.4 | 0 | 109.4 | E216 | E216-K218 PolarHBondContact O-N 3.47Š| ||
| 219 | H | 39.4 | Very low | 43.6 | Very low | 134 Ų | 134 | 155.2 Ų | 155.2 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | trans | -77.8 | 116.1 | 167.9 | -171.9 | 14.5 | 0 | 0 | 0 | 109 | Y217 P221 | Y217-H219 VanDerWaalsContact C-N 3.29Å; Y217-H219 HydrophobicContact CD1-CB 3.91Å; Y217-H219 HydrophobicContact CE1-CB 4.02Å; Y217-H219 PolarHBondContact O-N 3.42Å; H219-P221 WeakPolarHBondContact O-CD 3.17Å | ||
| 220 | D | 47.1 | Very low | 43.2 | Very low | 149 Ų | 149 | 160.4 Ų | 160.4 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -91.7 | 113.5 | 162.1 | -131.2 | -39.3 | 0 | 0 | 0 | 107.6 | ||||
| 221 | P | 45.2 | Very low | 42.9 | Very low | 80 Ų | 80 | 161.3 Ų | 161.3 | 52% | 0.519 | 83% | 0.827 | S | S | . | * | trans | -96.4 | 116.1 | 172.6 | 32.8 | -28 | 0 | 0 | 0 | 110.9 | H219 K223 | H219-P221 WeakPolarHBondContact O-CD 3.17Å; P221-K223 PolarHBondContact O-N 3.12Å | ||
| 222 | E | 37.9 | Very low | 42.8 | Very low | 178 Ų | 178 | 163.5 Ų | 163.5 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | 20.3 | 96.6 | 134.6 | -154.8 | -174.8 | 131.7 | 0 | 0 | 116 | ||||
| 223 | K | 39.3 | Very low | 42.3 | Very low | 203 Ų | 203 | 164.6 Ų | 164.6 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -92.5 | 92.3 | 152.6 | -76.9 | -165.9 | 178.8 | -174.5 | 0 | 108.7 | P221 L225 | P221-K223 PolarHBondContact O-N 3.12Å; K223-L225 PolarHBondContact O-N 2.89Å | ||
| 224 | S | 38.6 | Very low | 42 | Very low | 98 Ų | 98 | 163.9 Ų | 163.9 | 69% | 0.685 | 83% | 0.831 | S | S | * | * | trans | -42.4 | 104.1 | 153.6 | 42.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 225 | L | 45.1 | Very low | 41.9 | Very low | 156 Ų | 156 | 164.8 Ų | 164.8 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | trans | -62.4 | 149.2 | 155.1 | -75.9 | 165.1 | 0 | 0 | 0 | 108.2 | K223 | K223-L225 PolarHBondContact O-N 2.89Š| ||
| 226 | I | 47.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 163.9 Ų | 163.9 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | 90.3 | 94.5 | 167.3 | -44.8 | 170.2 | 0 | 0 | 0 | 114.3 | ||||
| 227 | Q | 38.8 | Very low | 41.7 | Very low | 184 Ų | 184 | 162.3 Ų | 162.3 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | 175.9 | 91.6 | 112.4 | -170.6 | 165.2 | 7.3 | 0 | 0 | 111.1 | |||||
| 228 | K | 38.6 | Very low | 42 | Very low | 208 Ų | 208 | 159.2 Ų | 159.2 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -146.5 | 75.2 | 152.4 | -126.8 | 179.2 | -174.8 | -176.9 | 0 | 109.6 | ||||
| 229 | V | 44.1 | Very low | 41.8 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -94.2 | 102.6 | 150.2 | 168.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 230 | S | 40.4 | Very low | 42 | Very low | 178 Ų | 178 | 158.7 Ų | 158.7 | 100% | 1.245 | 84% | 0.844 | S | S | * | * | trans | 176.2 | 0 | 135.3 | -166.3 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 230 of 230 residues in 40 ms
(Link to these results)