| 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 | S | 33.2 | Very low | 30.2 | Very low | 187 Ų | 187 | 163.7 Ų | 163.7 | 100% | 1.308 | 88% | 0.879 | S | S | * | * | 0 | 113.5 | 0 | -172.5 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 2 | G | 33.4 | Very low | 29.9 | Very low | 69 Ų | 69 | 169.2 Ų | 169.2 | 71% | 0.711 | 88% | 0.878 | S | S | * | * | cis | 171.8 | 141.9 | 4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | A | 28.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 167.5 Ų | 167.5 | 84% | 0.843 | 87% | 0.871 | S | S | * | * | trans | 63.5 | 138.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 4 | E | 32.3 | Very low | 29.9 | Very low | 189 Ų | 189 | 164.3 Ų | 164.3 | 88% | 0.883 | 86% | 0.862 | S | S | * | * | cis | -143.7 | 138.5 | 22.4 | -74.1 | 176.2 | 123.1 | 0 | 0 | 111 | ||||
| 5 | K | 35.7 | Very low | 29.9 | Very low | 201 Ų | 201 | 161 Ų | 161 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | trans | -71.2 | 132.9 | 156.8 | -84.7 | 170.4 | 169.4 | 173.4 | 0 | 107.8 | ||||
| 6 | F | 29.2 | Very low | 29.8 | Very low | 207 Ų | 207 | 158.6 Ų | 158.6 | 91% | 0.908 | 85% | 0.846 | S | S | * | * | trans | -175.4 | 154.2 | 132.3 | -118.2 | -90.5 | 0 | 0 | 0 | 110.4 | ||||
| 7 | S | 27.2 | Very low | 29.6 | Very low | 98 Ų | 98 | 153.9 Ų | 153.9 | 69% | 0.685 | 83% | 0.829 | S | S | * | * | trans | 84.8 | 86.5 | 174.6 | 76.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 8 | H | 28.7 | Very low | 29.6 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 93% | 0.931 | 83% | 0.827 | S | S | * | * | trans | -170.1 | 80.1 | 135.5 | -96.6 | -65.9 | 0 | 0 | 0 | 108.5 | ||||
| 9 | L | 27.3 | Very low | 29.8 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -122.3 | 105.4 | 163.8 | -106.9 | 147.9 | 0 | 0 | 0 | 107.3 | F11 | L9-F11 PolarHBondContact O-N 3Š| ||
| 10 | K | 30.4 | Very low | 29.6 | Very low | 209 Ų | 209 | 161.2 Ų | 161.2 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -47.8 | 104.1 | 165.7 | -98 | 170.2 | 167.9 | 170.4 | 0 | 108.9 | ||||
| 11 | F | 26.2 | Very low | 29.9 | Very low | 179 Ų | 179 | 158 Ų | 158 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -88.5 | 112 | 154.9 | -100.5 | -90.2 | 0 | 0 | 0 | 107.8 | L9 D13 | L9-F11 PolarHBondContact O-N 3Å; F11-D13 PolarHBondContact O-N 2.98Å; F11-D13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | R | 26.7 | Very low | 30 | Very low | 229 Ų | 229 | 156.9 Ų | 156.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 94.6 | 168.8 | -158.3 | -179.3 | -159.7 | 170.7 | 3.2 | 105.1 | V14 | R12-V14 VanDerWaalsContact C-N 3.28Å; R12-V14 PolarHBondContact O-N 3.36Å | ||
| 13 | D | 27.5 | Very low | 29.9 | Very low | 147 Ų | 147 | 159.8 Ų | 159.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -67.6 | 90.4 | 175.3 | -87.8 | -41 | 0 | 0 | 0 | 109.8 | F11 N15 | F11-D13 PolarHBondContact O-N 2.98Å; F11-D13 VanDerWaalsContact O-N 3.13Å; D13-N15 PolarHBondContact O-N 3.09Å; D13-N15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | V | 32.4 | Very low | 30.5 | Very low | 123 Ų | 123 | 161.3 Ų | 161.3 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | trans | -75.3 | 77.7 | 157.4 | -178.8 | 0 | 0 | 0 | 0 | 106.4 | R12 | R12-V14 VanDerWaalsContact C-N 3.28Å; R12-V14 PolarHBondContact O-N 3.36Å | ||
| 15 | N | 29.9 | Very low | 30.2 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | trans | -154.1 | 64.4 | 165.2 | -137.4 | -2.4 | 0 | 0 | 0 | 113.1 | D13 | D13-N15 PolarHBondContact O-N 3.09Å; D13-N15 VanDerWaalsContact O-N 3.12Å | ||
| 16 | S | 28.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -105.3 | 18.6 | 165.9 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 17 | S | 25.7 | Very low | 30.4 | Very low | 78 Ų | 78 | 148 Ų | 148 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | trans | -104.8 | 0.3 | -168.9 | -45.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 18 | L | 30.4 | Very low | 30.6 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -114.2 | 28.4 | -171.2 | -102.7 | 141.4 | 0 | 0 | 0 | 114.8 | ||||
| 19 | R | 33.3 | Very low | 31 | Very low | 242 Ų | 242 | 150.5 Ų | 150.5 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | -113.6 | 70.2 | 161.4 | -81.2 | -168.5 | -125 | -129.9 | -0.7 | 110.8 | ||||
| 20 | R | 25.5 | Very low | 31.5 | Very low | 214 Ų | 214 | 151.7 Ų | 151.7 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -122.9 | 106.3 | 162.1 | -83.4 | -169.8 | -85.3 | -138.8 | -2 | 108.9 | L22 | R20-L22 PolarHBondContact O-N 3.21Š| ||
| 21 | P | 35.2 | Very low | 32.2 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | trans | -65.5 | 124.7 | 165.9 | 25.5 | -28.1 | 0 | 0 | 0 | 108 | F23 | P21-F23 PolarHBondContact O-N 3.05Š| ||
| 22 | L | 35 | Very low | 33.5 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -64.5 | 93.8 | 167.2 | -96.6 | 147.3 | 0 | 0 | 0 | 107.6 | R20 | R20-L22 PolarHBondContact O-N 3.21Š| ||
| 23 | F | 33.1 | Very low | 34.6 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 58% | 0.575 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -162.6 | 117.5 | 151.5 | -93 | -69.7 | 0 | 0 | 0 | 110 | P21 M279 | P21-F23 PolarHBondContact O-N 3.05Å; F23-M279 HydrophobicContact CE2-CE 4.41Å; F23-M279 HydrophobicContact CZ-CE 3.98Å |
| 24 | F | 41.5 | Very low | 35.8 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 58% | 0.583 | 67% | 0.673 | S | S | * | * | trans | 44 | 88.5 | 169.7 | -79.3 | -96.3 | 0 | 0 | 0 | 118.4 | ||||
| 25 | S | 24.5 | Very low | 36.9 | Very low | 84 Ų | 84 | 125 Ų | 125 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | trans | -129.8 | 131.7 | 153.1 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | T27 | S25-T27 VanDerWaalsContact C-N 3.25Å; S25-T27 PolarHBondContact O-N 2.88Å; S25-T27 PolarHBondContact OG-OG1 2.96Å | ||
| 26 | P | 35.7 | Very low | 38.3 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -84 | 58.6 | -171.8 | 35.4 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 27 | T | 34.3 | Very low | 40 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | trans | -140.1 | 21.1 | 179.6 | 47.5 | 0 | 0 | 0 | 0 | 115.5 | S25 | S25-T27 VanDerWaalsContact C-N 3.25Å; S25-T27 PolarHBondContact O-N 2.88Å; S25-T27 PolarHBondContact OG-OG1 2.96Å | ||
| 28 | N | 31.3 | Very low | 42.1 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 78% | 0.775 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -146.5 | 136.6 | 164.8 | -94 | -54.1 | 0 | 0 | 0 | 112.2 | H30 | N28-H30 PolarHBondContact O-N 2.86Š|
| 29 | K | 36.8 | Very low | 44.1 | Very low | 206 Ų | 206 | 114.3 Ų | 114.3 | 90% | 0.896 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -65.6 | 29.3 | -170.4 | -81.6 | -178.5 | 172.8 | 179 | 0 | 116.9 | ||
| 30 | H | 38.8 | Very low | 46.3 | Very low | 184 Ų | 184 | 108.1 Ų | 108.1 | 85% | 0.852 | 56% | 0.562 | S | S | * | * | trans | -137.1 | 48.7 | 173.1 | -82.8 | -84.1 | 0 | 0 | 0 | 112 | N28 C32 | N28-H30 PolarHBondContact O-N 2.86Å; H30-C32 PolarHBondContact O-N 3.45Å | ||
| 31 | T | 44.8 | Very low | 48.8 | Very low | 81 Ų | 81 | 100.9 Ų | 100.9 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | trans | -70.7 | 107.1 | 162.4 | 43.9 | 0 | 0 | 0 | 0 | 107.9 | V33 | T31-V33 WeakPolarHBondContact O-CG2 3.36Å; T31-V33 PolarHBondContact O-N 3.21Å | ||
| 32 | C | 53 | Low | 51 | Low | 64 Ų | 64 | 97 Ų | 97 | 43% | 0.432 | 52% | 0.515 | S | S | . | . | trans | -64.1 | 81.2 | 168.6 | -70.4 | 0 | 0 | 0 | 0 | 107 | H30 V34 C276 | H30-C32 PolarHBondContact O-N 3.45Å; C32-V34 VanDerWaalsContact O-CG2 3.28Å; C32-V34 WeakPolarHBondContact O-CG2 3.41Å; C32-V34 PolarHBondContact O-N 3.12Å; C32-C276 WeakPolarHBondContact CB-SG 3.49Å; C32-C276 WeakPolarHBondContact SG-CB 3.03Å; C32-C276 CovalentContact SG-SG 2.11Å; C32-C276 PolarHBondContact SG-SG 3.18Å | ||
| 33 | V | 50 | Low | 53.4 | Low | 92 Ų | 92 | 92.1 Ų | 92.1 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | trans | -67.9 | 125.6 | -176.6 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | T31 K280 | T31-V33 WeakPolarHBondContact O-CG2 3.36Å; T31-V33 PolarHBondContact O-N 3.21Å; V33-K280 PolarHBondContact O-NZ 3.32Å | ||
| 34 | V | 52.6 | Low | 56.1 | Low | 24 Ų | 24 | 89.3 Ų | 89.3 | 15% | 0.145 | 49% | 0.49 | C | S | . | . | trans | -137.8 | -0.6 | 177.4 | -151.6 | 0 | 0 | 0 | 0 | 112.1 | C32 E36 P37 K280 M284 | C32-V34 VanDerWaalsContact O-CG2 3.28Å; C32-V34 WeakPolarHBondContact O-CG2 3.41Å; C32-V34 PolarHBondContact O-N 3.12Å; V34-E36 PolarHBondContact O-N 2.84Å; V34-P37 WeakPolarHBondContact O-CD 3.39Å; V34-K280 HydrophobicContact CB-CD 4.42Å; V34-K280 HydrophobicContact CG1-CD 4.26Å; V34-K280 VanDerWaalsContact CG1-CE 3.41Å; V34-K280 HydrophobicContact CG1-CG 4.25Å; V34-K280 HydrophobicContact CG2-CB 4.49Å; V34-K280 HydrophobicContact CG2-CD 3.36Å; V34-K280 HydrophobicContact CG2-CG 3.64Å; V34-M284 HydrophobicContact CG1-CE 3.76Å; V34-M284 HydrophobicContact CG1-CG 3.73Å; V34-M284 HydrophobicContact CG1-SD 3.31Å; V34-M284 WeakPolarHBondContact CG1-SD 3.4Å | ||
| 35 | D | 54.3 | Low | 58.4 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 34% | 0.342 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -78.2 | -21.5 | -157.4 | -55.8 | -34.6 | 0 | 0 | 0 | 113.2 | K39 | D35-K39 VanDerWaalsContact O-CD 3.29Å; D35-K39 WeakPolarHBondContact O-CD 3.2Å; D35-K39 VanDerWaalsContact O-CE 3.27Å; D35-K39 WeakPolarHBondContact O-CE 3.5Å; D35-K39 VanDerWaalsContact O-CG 3.22Å; D35-K39 WeakPolarHBondContact O-CG 3.26Å |
| 36 | E | 60.2 | Low | 61.6 | Low | 105 Ų | 105 | 80.5 Ų | 80.5 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -78.2 | -50.7 | -175 | -69.1 | -55.3 | 128.8 | 0 | 0 | 115.4 | V34 M38 K39 H40 | V34-E36 PolarHBondContact O-N 2.84Å; E36-M38 VanDerWaalsContact C-N 3.31Å; E36-M38 PolarHBondContact O-N 3.44Å; E36-K39 IonicContact OE1-NZ 2.68Å; E36-K39 PolarHBondContact OE1-NZ 3.37Å; E36-H40 PolarHBondContact O-CD2 3Å |
| 37 | P | 64.3 | Low | 64.4 | Low | 82 Ų | 82 | 78 Ų | 78 | 53% | 0.532 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.7 | -30.8 | -176.8 | 25.2 | -34.3 | 0 | 0 | 0 | 113.2 | V34 H40 V41 | V34-P37 WeakPolarHBondContact O-CD 3.39Å; P37-H40 PolarHBondContact O-N 3.43Å; P37-V41 WeakPolarHBondContact O-CG2 3.47Å; P37-V41 PolarHBondContact O-N 3.3Å |
| 38 | M | 69.1 | Low | 67.2 | Low | 15 Ų | 15 | 76 Ų | 76 | 7% | 0.074 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.7 | -36.9 | -176.6 | -172.7 | 57.3 | 78.8 | 0 | 0 | 112.2 | E36 H40 V41 E42 M284 Q287 T288 | E36-M38 VanDerWaalsContact C-N 3.31Å; E36-M38 PolarHBondContact O-N 3.44Å; M38-H40 VanDerWaalsContact C-N 3.26Å; M38-H40 PolarHBondContact O-N 2.9Å; M38-V41 PolarHBondContact O-N 3.48Å; M38-V41 VanDerWaalsContact O-N 3.12Å; M38-V41 HydrophobicContact SD-CB 4.34Å; M38-V41 HydrophobicContact SD-CG1 4.42Å; M38-E42 HydrophobicContact CG-CG 4.37Å; M38-E42 WeakPolarHBondContact O-CG 3.47Å; M38-E42 PolarHBondContact O-N 3.36Å; M38-M284 HydrophobicContact CE-CB 3.55Å; M38-M284 HydrophobicContact CE-CG 3.6Å; M38-M284 WeakPolarHBondContact CE-O 3.37Å; M38-M284 HydrophobicContact CE-SD 4.39Å; M38-Q287 HydrophobicContact CE-CB 4.32Å; M38-Q287 HydrophobicContact CG-CB 4.32Å; M38-Q287 HydrophobicContact CG-CG 3.88Å; M38-Q287 HydrophobicContact SD-CB 4.25Å; M38-Q287 HydrophobicContact SD-CG 4.15Å; M38-T288 WeakPolarHBondContact CE-OG1 3.39Å |
| 39 | K | 72.2 | Confident | 70.3 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 18% | 0.183 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 177.5 | -68.9 | 168 | -172.8 | 172.1 | 0 | 112.4 | D35 E36 L43 A99 Y100 | D35-K39 VanDerWaalsContact O-CD 3.29Å; D35-K39 WeakPolarHBondContact O-CD 3.2Å; D35-K39 VanDerWaalsContact O-CE 3.27Å; D35-K39 WeakPolarHBondContact O-CE 3.5Å; D35-K39 VanDerWaalsContact O-CG 3.22Å; D35-K39 WeakPolarHBondContact O-CG 3.26Å; E36-K39 IonicContact OE1-NZ 2.68Å; E36-K39 PolarHBondContact OE1-NZ 3.37Å; K39-L43 PolarHBondContact O-N 3.15Å; K39-A99 WeakPolarHBondContact CE-O 3.22Å; K39-Y100 HydrophobicContact CB-CD1 4.49Å; K39-Y100 HydrophobicContact CB-CE1 3.74Å; K39-Y100 HydrophobicContact CB-CE2 4.07Å; K39-Y100 WeakPolarHBondContact CB-OH 3.28Å; K39-Y100 HydrophobicContact CD-CD1 4.02Å; K39-Y100 HydrophobicContact CD-CE1 3.96Å; K39-Y100 HydrophobicContact CG-CE1 4.35Å; K39-Y100 PolarHBondContact O-OH 3.34Å |
| 40 | H | 79.4 | Confident | 73.1 | Confident | 112 Ų | 112 | 62.4 Ų | 62.4 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.6 | -38.5 | 177 | -65 | -55.8 | 0 | 0 | 0 | 112.2 | E36 P37 M38 L43 A44 Y100 | E36-H40 PolarHBondContact O-CD2 3Å; P37-H40 PolarHBondContact O-N 3.43Å; M38-H40 VanDerWaalsContact C-N 3.26Å; M38-H40 PolarHBondContact O-N 2.9Å; H40-L43 PolarHBondContact O-N 3.11Å; H40-A44 WeakPolarHBondContact O-CB 3.45Å; H40-A44 PolarHBondContact O-N 3.01Å; H40-Y100 PolarHBondContact N-OH 2.85Å |
| 41 | V | 79.6 | Confident | 75.8 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 38% | 0.376 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 175.6 | 173 | 0 | 0 | 0 | 0 | 110.9 | P37 M38 L43 A44 I45 | P37-V41 WeakPolarHBondContact O-CG2 3.47Å; P37-V41 PolarHBondContact O-N 3.3Å; M38-V41 PolarHBondContact O-N 3.48Å; M38-V41 VanDerWaalsContact O-N 3.12Å; M38-V41 HydrophobicContact SD-CB 4.34Å; M38-V41 HydrophobicContact SD-CG1 4.42Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.33Å; V41-A44 PolarHBondContact O-N 2.82Å; V41-I45 HydrophobicContact CG1-CD1 3.78Å; V41-I45 VanDerWaalsContact O-CG1 3.32Å; V41-I45 WeakPolarHBondContact O-CG1 3.37Å; V41-I45 PolarHBondContact O-N 3.24Å; V41-I45 VanDerWaalsContact O-N 3.07Å |
| 42 | E | 81.1 | Confident | 78.2 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 175.8 | -70.2 | -163.4 | 131.1 | 0 | 0 | 111.9 | M38 I45 Y46 Q287 | M38-E42 HydrophobicContact CG-CG 4.37Å; M38-E42 WeakPolarHBondContact O-CG 3.47Å; M38-E42 PolarHBondContact O-N 3.36Å; E42-I45 PolarHBondContact O-N 2.99Å; E42-Y46 HydrophobicContact CB-CD2 4.13Å; E42-Y46 HydrophobicContact CB-CE2 4.13Å; E42-Y46 HydrophobicContact CG-CE2 4.45Å; E42-Y46 WeakPolarHBondContact O-CB 3.36Å; E42-Y46 WeakPolarHBondContact O-CD2 3.38Å; E42-Y46 PolarHBondContact O-N 3.24Å; E42-Q287 HydrophobicContact CG-CG 4.18Å; E42-Q287 VanDerWaalsContact OE1-CD 3.3Å; E42-Q287 WeakPolarHBondContact OE1-CG 3.48Å; E42-Q287 PolarHBondContact OE1-NE2 2.83Å; E42-Q287 PolarHBondContact OE2-NE2 2.73Å; E42-Q287 VanDerWaalsContact OE2-NE2 3.13Å |
| 43 | L | 85.3 | Confident | 80.1 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 179.1 | -167.4 | 70.9 | 0 | 0 | 0 | 111.5 | K39 H40 V41 I45 Y46 I47 M96 | K39-L43 PolarHBondContact O-N 3.15Å; H40-L43 PolarHBondContact O-N 3.11Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.33Å; L43-I45 PolarHBondContact O-N 2.88Å; L43-Y46 PolarHBondContact O-N 3.33Å; L43-I47 HydrophobicContact CD1-CD1 3.62Å; L43-I47 HydrophobicContact CD1-CG1 3.86Å; L43-I47 HydrophobicContact CD2-CD1 4.17Å; L43-I47 HydrophobicContact CG-CD1 3.55Å; L43-I47 HydrophobicContact CG-CG1 4.08Å; L43-I47 WeakPolarHBondContact O-CB 3.47Å; L43-I47 WeakPolarHBondContact O-CG1 3.38Å; L43-I47 PolarHBondContact O-N 2.93Å; L43-M96 HydrophobicContact CD1-CB 4.34Å; L43-M96 HydrophobicContact CD1-CG 4.31Å; L43-M96 HydrophobicContact CD1-SD 3.67Å |
| 44 | A | 88.4 | Confident | 82.3 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.3 | -27 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H40 V41 P48 | H40-A44 WeakPolarHBondContact O-CB 3.45Å; H40-A44 PolarHBondContact O-N 3.01Å; V41-A44 PolarHBondContact O-N 2.82Å; A44-P48 WeakPolarHBondContact O-CD 3.42Å; A44-P48 VanDerWaalsContact O-CG 3.32Å; A44-P48 WeakPolarHBondContact O-CG 3.5Å |
| 45 | I | 90.4 | Very high | 84.2 | Confident | 32 Ų | 32 | 57.2 Ų | 57.2 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -89.4 | -47.3 | 177.3 | -65.4 | 168.8 | 0 | 0 | 0 | 111.3 | V41 E42 L43 P48 I49 C291 L292 | V41-I45 HydrophobicContact CG1-CD1 3.78Å; V41-I45 VanDerWaalsContact O-CG1 3.32Å; V41-I45 WeakPolarHBondContact O-CG1 3.37Å; V41-I45 PolarHBondContact O-N 3.24Å; V41-I45 VanDerWaalsContact O-N 3.07Å; E42-I45 PolarHBondContact O-N 2.99Å; L43-I45 PolarHBondContact O-N 2.88Å; I45-P48 WeakPolarHBondContact O-CD 3.5Å; I45-I49 HydrophobicContact CG2-CD1 3.55Å; I45-I49 WeakPolarHBondContact O-CD1 3.47Å; I45-I49 VanDerWaalsContact O-CG1 3.25Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 2.89Å; I45-C291 HydrophobicContact CB-CB 4.39Å; I45-C291 HydrophobicContact CD1-CB 4.15Å; I45-C291 HydrophobicContact CG2-CB 3.88Å; I45-L292 HydrophobicContact CD1-CD2 4.27Å |
| 46 | Y | 92.1 | Very high | 86 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.2 | -33.1 | -173.4 | -72.4 | -34.9 | 0 | 0 | 0 | 114.1 | E42 L43 I49 F50 L92 K95 M96 C291 N294 | E42-Y46 HydrophobicContact CB-CD2 4.13Å; E42-Y46 HydrophobicContact CB-CE2 4.13Å; E42-Y46 HydrophobicContact CG-CE2 4.45Å; E42-Y46 WeakPolarHBondContact O-CB 3.36Å; E42-Y46 WeakPolarHBondContact O-CD2 3.38Å; E42-Y46 PolarHBondContact O-N 3.24Å; L43-Y46 PolarHBondContact O-N 3.33Å; Y46-I49 PolarHBondContact O-N 2.92Å; Y46-F50 VanDerWaalsContact O-CB 3.25Å; Y46-F50 WeakPolarHBondContact O-CB 3.26Å; Y46-F50 PolarHBondContact O-N 3.17Å; Y46-L92 HydrophobicContact CD1-CD1 4.4Å; Y46-L92 HydrophobicContact CD1-CD2 4.08Å; Y46-L92 HydrophobicContact CE1-CD2 4.09Å; Y46-K95 HydrophobicContact CE2-CD 4.23Å; Y46-K95 WeakPolarHBondContact OH-CE 3.41Å; Y46-K95 PolarHBondContact OH-NZ 3.22Å; Y46-M96 WeakPolarHBondContact CB-SD 3.24Å; Y46-M96 HydrophobicContact CD2-CG 3.8Å; Y46-M96 HydrophobicContact CD2-SD 4.46Å; Y46-M96 HydrophobicContact CG-CG 4.28Å; Y46-M96 HydrophobicContact CG-SD 4.41Å; Y46-C291 HydrophobicContact CE1-CB 3.81Å; Y46-C291 PolarHBondContact OH-SG 2.98Å; Y46-N294 WeakPolarHBondContact CE1-ND2 3.43Å |
| 47 | I | 93.8 | Very high | 87.5 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -53.5 | 177.9 | -70.1 | 177.6 | 0 | 0 | 0 | 111 | L43 I49 F50 I51 M96 | L43-I47 HydrophobicContact CD1-CD1 3.62Å; L43-I47 HydrophobicContact CD1-CG1 3.86Å; L43-I47 HydrophobicContact CD2-CD1 4.17Å; L43-I47 HydrophobicContact CG-CD1 3.55Å; L43-I47 HydrophobicContact CG-CG1 4.08Å; L43-I47 WeakPolarHBondContact O-CB 3.47Å; L43-I47 WeakPolarHBondContact O-CG1 3.38Å; L43-I47 PolarHBondContact O-N 2.93Å; I47-I49 VanDerWaalsContact C-N 3.34Å; I47-I49 PolarHBondContact O-N 3.39Å; I47-F50 PolarHBondContact O-N 3.02Å; I47-I51 HydrophobicContact CG2-CD1 3.74Å; I47-I51 WeakPolarHBondContact O-CG1 3.46Å; I47-I51 PolarHBondContact O-N 2.73Å; I47-M96 HydrophobicContact CG1-CE 4.4Å; I47-M96 HydrophobicContact CG1-SD 3.94Å |
| 48 | P | 94.4 | Very high | 88.8 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.5 | -25.1 | 34.7 | 0 | 0 | 0 | 112.7 | A44 I45 F50 I51 V52 | A44-P48 WeakPolarHBondContact O-CD 3.42Å; A44-P48 VanDerWaalsContact O-CG 3.32Å; A44-P48 WeakPolarHBondContact O-CG 3.5Å; I45-P48 WeakPolarHBondContact O-CD 3.5Å; P48-F50 VanDerWaalsContact C-N 3.34Å; P48-F50 PolarHBondContact O-N 2.78Å; P48-I51 PolarHBondContact O-N 3.46Å; P48-V52 VanDerWaalsContact O-CB 3.24Å; P48-V52 WeakPolarHBondContact O-CB 3.41Å; P48-V52 VanDerWaalsContact O-CG2 3.25Å; P48-V52 WeakPolarHBondContact O-CG2 3.4Å; P48-V52 PolarHBondContact O-N 3.31Å |
| 49 | I | 94.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.3 | -71.4 | 172.2 | 0 | 0 | 0 | 110.9 | I45 Y46 I47 G53 L89 L92 N294 I295 C298 | I45-I49 HydrophobicContact CG2-CD1 3.55Å; I45-I49 WeakPolarHBondContact O-CD1 3.47Å; I45-I49 VanDerWaalsContact O-CG1 3.25Å; I45-I49 WeakPolarHBondContact O-CG1 3.36Å; I45-I49 PolarHBondContact O-N 2.89Å; Y46-I49 PolarHBondContact O-N 2.92Å; I47-I49 VanDerWaalsContact C-N 3.34Å; I47-I49 PolarHBondContact O-N 3.39Å; I49-G53 VanDerWaalsContact O-CA 3.31Å; I49-G53 WeakPolarHBondContact O-CA 3.28Å; I49-G53 PolarHBondContact O-N 3.27Å; I49-L89 HydrophobicContact CG2-CD2 3.95Å; I49-L92 HydrophobicContact CG2-CD1 4.14Å; I49-N294 HydrophobicContact CD1-CB 4.22Å; I49-N294 HydrophobicContact CG2-CB 4.15Å; I49-N294 WeakPolarHBondContact CG2-O 3.41Å; I49-I295 HydrophobicContact CD1-CB 4.34Å; I49-C298 PolarHBondContact O-SG 3.46Å; I49-C298 VanDerWaalsContact O-SG 3.41Å |
| 50 | F | 96.1 | Very high | 90.3 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 25% | 0.25 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 178.1 | 177.7 | -102.4 | 0 | 0 | 0 | 111.3 | Y46 I47 P48 M54 L89 L92 P93 | Y46-F50 VanDerWaalsContact O-CB 3.25Å; Y46-F50 WeakPolarHBondContact O-CB 3.26Å; Y46-F50 PolarHBondContact O-N 3.17Å; I47-F50 PolarHBondContact O-N 3.02Å; P48-F50 VanDerWaalsContact C-N 3.34Å; P48-F50 PolarHBondContact O-N 2.78Å; F50-M54 HydrophobicContact CD2-CG 3.82Å; F50-M54 HydrophobicContact CE1-CG 4.37Å; F50-M54 HydrophobicContact CE2-CG 3.59Å; F50-M54 HydrophobicContact CE2-SD 4.05Å; F50-M54 HydrophobicContact CG-CG 4.32Å; F50-M54 HydrophobicContact CZ-CG 3.89Å; F50-M54 WeakPolarHBondContact O-CB 3.4Å; F50-M54 WeakPolarHBondContact O-CG 3.47Å; F50-M54 PolarHBondContact O-N 3.39Å; F50-L89 HydrophobicContact CD2-CB 4.48Å; F50-L89 WeakPolarHBondContact CD2-O 3.46Å; F50-L92 HydrophobicContact CD2-CB 4.48Å; F50-P93 HydrophobicContact CD2-CG 3.96Å; F50-P93 HydrophobicContact CE1-CG 4.31Å; F50-P93 HydrophobicContact CE2-CG 3.6Å; F50-P93 HydrophobicContact CG-CG 4.46Å; F50-P93 HydrophobicContact CZ-CG 3.79Å |
| 51 | I | 95.8 | Very high | 90.8 | Very high | 104 Ų | 104 | 45.4 Ų | 45.4 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -52.5 | -177.6 | -65.8 | 170.1 | 0 | 0 | 0 | 110.9 | I47 P48 F55 | I47-I51 HydrophobicContact CG2-CD1 3.74Å; I47-I51 WeakPolarHBondContact O-CG1 3.46Å; I47-I51 PolarHBondContact O-N 2.73Å; P48-I51 PolarHBondContact O-N 3.46Å; I51-F55 VanDerWaalsContact O-CB 3.3Å; I51-F55 WeakPolarHBondContact O-CB 3.32Å; I51-F55 PolarHBondContact O-N 3.14Å |
| 52 | V | 94.3 | Very high | 91.1 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.7 | -45.4 | -176.1 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | P48 F55 F56 C298 | P48-V52 VanDerWaalsContact O-CB 3.24Å; P48-V52 WeakPolarHBondContact O-CB 3.41Å; P48-V52 VanDerWaalsContact O-CG2 3.25Å; P48-V52 WeakPolarHBondContact O-CG2 3.4Å; P48-V52 PolarHBondContact O-N 3.31Å; V52-F55 PolarHBondContact O-N 3.43Å; V52-F56 HydrophobicContact CG1-CD2 3.5Å; V52-F56 HydrophobicContact CG1-CE2 3.37Å; V52-F56 WeakPolarHBondContact O-CD2 3.32Å; V52-F56 PolarHBondContact O-N 3.44Å; V52-C298 HydrophobicContact CG1-CB 4.07Å |
| 53 | G | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I49 N57 | I49-G53 VanDerWaalsContact O-CA 3.31Å; I49-G53 WeakPolarHBondContact O-CA 3.28Å; I49-G53 PolarHBondContact O-N 3.27Å; G53-N57 VanDerWaalsContact O-CB 3.28Å; G53-N57 WeakPolarHBondContact O-CB 3.44Å; G53-N57 PolarHBondContact O-N 3.07Å; G53-N57 PolarHBondContact O-ND2 2.95Å |
| 54 | M | 95.2 | Very high | 91 | Very high | 35 Ų | 35 | 45.6 Ų | 45.6 | 17% | 0.172 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177 | -73.1 | -67.7 | -71.3 | 0 | 0 | 111 | F50 L58 L86 L89 L90 | F50-M54 HydrophobicContact CD2-CG 3.82Å; F50-M54 HydrophobicContact CE1-CG 4.37Å; F50-M54 HydrophobicContact CE2-CG 3.59Å; F50-M54 HydrophobicContact CE2-SD 4.05Å; F50-M54 HydrophobicContact CG-CG 4.32Å; F50-M54 HydrophobicContact CZ-CG 3.89Å; F50-M54 WeakPolarHBondContact O-CB 3.4Å; F50-M54 WeakPolarHBondContact O-CG 3.47Å; F50-M54 PolarHBondContact O-N 3.39Å; M54-L58 HydrophobicContact CE-CD1 3.86Å; M54-L58 WeakPolarHBondContact O-CB 3.43Å; M54-L58 VanDerWaalsContact O-CG 3.3Å; M54-L58 WeakPolarHBondContact O-CG 2.88Å; M54-L58 PolarHBondContact O-N 2.87Å; M54-L86 HydrophobicContact CE-CD2 4.4Å; M54-L86 HydrophobicContact SD-CD2 3.66Å; M54-L89 HydrophobicContact CG-CB 4.38Å; M54-L89 HydrophobicContact CG-CD1 4.36Å; M54-L89 HydrophobicContact SD-CB 3.9Å; M54-L89 HydrophobicContact SD-CD1 4.25Å; M54-L90 HydrophobicContact CE-CD2 4.37Å |
| 55 | F | 93.3 | Very high | 90.6 | Very high | 138 Ų | 138 | 46 Ų | 46 | 61% | 0.605 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59.4 | -53.6 | 178.6 | 177.6 | -96.8 | 0 | 0 | 0 | 112 | I51 V52 G59 | I51-F55 VanDerWaalsContact O-CB 3.3Å; I51-F55 WeakPolarHBondContact O-CB 3.32Å; I51-F55 PolarHBondContact O-N 3.14Å; V52-F55 PolarHBondContact O-N 3.43Å; F55-G59 PolarHBondContact O-N 3.03Å |
| 56 | F | 90.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 16% | 0.158 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.5 | -42.4 | -176.9 | -72.5 | -50.1 | 0 | 0 | 0 | 113 | V52 G59 A60 L302 Y305 | V52-F56 HydrophobicContact CG1-CD2 3.5Å; V52-F56 HydrophobicContact CG1-CE2 3.37Å; V52-F56 WeakPolarHBondContact O-CD2 3.32Å; V52-F56 PolarHBondContact O-N 3.44Å; F56-G59 PolarHBondContact O-N 3.47Å; F56-A60 VanDerWaalsContact O-CB 3.27Å; F56-A60 WeakPolarHBondContact O-CB 3.43Å; F56-A60 PolarHBondContact O-N 2.86Å; F56-L302 HydrophobicContact CD2-CB 4.41Å; F56-L302 HydrophobicContact CE1-CD1 4.07Å; F56-L302 HydrophobicContact CE2-CB 4.29Å; F56-L302 HydrophobicContact CE2-CD1 3.83Å; F56-L302 HydrophobicContact CZ-CD1 3.53Å; F56-Y305 HydrophobicContact CD1-CD2 4.3Å; F56-Y305 HydrophobicContact CD1-CG 4.16Å; F56-Y305 HydrophobicContact CE1-CD1 4.48Å; F56-Y305 HydrophobicContact CE1-CD2 4.42Å; F56-Y305 HydrophobicContact CE1-CG 4.12Å |
| 57 | N | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.8 | -41.8 | -177.5 | -74.3 | -70.1 | 0 | 0 | 0 | 112.5 | G53 A60 L61 A82 D85 L86 C297 | G53-N57 VanDerWaalsContact O-CB 3.28Å; G53-N57 WeakPolarHBondContact O-CB 3.44Å; G53-N57 PolarHBondContact O-N 3.07Å; G53-N57 PolarHBondContact O-ND2 2.95Å; N57-A60 PolarHBondContact O-N 3.36Å; N57-L61 WeakPolarHBondContact O-CG 3.27Å; N57-L61 PolarHBondContact O-N 3.28Å; N57-A82 HydrophobicContact CB-CB 4.49Å; N57-A82 WeakPolarHBondContact OD1-CA 3.37Å; N57-D85 PolarHBondContact OD1-OD2 2.9Å; N57-L86 HydrophobicContact CB-CD2 3.93Å; N57-L86 HydrophobicContact CB-CG 4.07Å; N57-C297 PolarHBondContact ND2-O 3Å |
| 58 | L | 92.2 | Very high | 88.2 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 42% | 0.419 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 173.2 | -70.4 | 173.8 | 0 | 0 | 0 | 111.2 | M54 A60 L61 L62 L86 | M54-L58 HydrophobicContact CE-CD1 3.86Å; M54-L58 WeakPolarHBondContact O-CB 3.43Å; M54-L58 VanDerWaalsContact O-CG 3.3Å; M54-L58 WeakPolarHBondContact O-CG 2.88Å; M54-L58 PolarHBondContact O-N 2.87Å; L58-A60 PolarHBondContact O-N 3.08Å; L58-L61 PolarHBondContact O-N 3.43Å; L58-L62 WeakPolarHBondContact O-CB 3.24Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.45Å; L58-L62 PolarHBondContact O-N 2.86Å; L58-L86 HydrophobicContact CD2-CD1 3.78Å; L58-L86 HydrophobicContact CD2-CD2 4.09Å; L58-L86 HydrophobicContact CG-CD1 4.47Å; L58-L86 HydrophobicContact CG-CD2 4Å |
| 59 | G | 88.1 | Confident | 87 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | F55 F56 L62 V63 | F55-G59 PolarHBondContact O-N 3.03Å; F56-G59 PolarHBondContact O-N 3.47Å; G59-L62 PolarHBondContact O-N 3.3Å; G59-V63 WeakPolarHBondContact O-CG2 3.38Å; G59-V63 PolarHBondContact O-N 3.43Å |
| 60 | A | 85.2 | Confident | 86.1 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F56 N57 L58 L62 V63 Y64 | F56-A60 VanDerWaalsContact O-CB 3.27Å; F56-A60 WeakPolarHBondContact O-CB 3.43Å; F56-A60 PolarHBondContact O-N 2.86Å; N57-A60 PolarHBondContact O-N 3.36Å; L58-A60 PolarHBondContact O-N 3.08Å; A60-L62 VanDerWaalsContact C-N 3.33Å; A60-L62 PolarHBondContact O-N 2.89Å; A60-V63 PolarHBondContact O-N 3.05Å; A60-Y64 HydrophobicContact CB-CE2 4.15Å; A60-Y64 WeakPolarHBondContact O-CB 3.3Å; A60-Y64 WeakPolarHBondContact O-CD2 3.43Å; A60-Y64 PolarHBondContact O-N 3.29Å |
| 61 | L | 88.4 | Confident | 85.5 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 177.1 | -73.1 | -179.3 | 0 | 0 | 0 | 112.7 | N57 L58 Y64 C65 T79 A82 L83 L86 | N57-L61 WeakPolarHBondContact O-CG 3.27Å; N57-L61 PolarHBondContact O-N 3.28Å; L58-L61 PolarHBondContact O-N 3.43Å; L61-Y64 PolarHBondContact O-N 3.32Å; L61-C65 VanDerWaalsContact O-CB 3.24Å; L61-C65 WeakPolarHBondContact O-CB 3.19Å; L61-C65 PolarHBondContact O-N 2.99Å; L61-C65 PolarHBondContact O-SG 3.33Å; L61-T79 HydrophobicContact CD2-CG2 3.66Å; L61-A82 HydrophobicContact CD2-CB 3.93Å; L61-A82 HydrophobicContact CG-CB 3.99Å; L61-L83 HydrophobicContact CD1-CD2 3.82Å; L61-L83 HydrophobicContact CD1-CG 4.36Å; L61-L83 HydrophobicContact CD2-CG 4.36Å; L61-L86 HydrophobicContact CD1-CD1 3.39Å |
| 62 | L | 86.7 | Confident | 85.2 | Confident | 108 Ų | 108 | 72.5 Ų | 72.5 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 175.5 | -73 | 172.1 | 0 | 0 | 0 | 111.2 | L58 G59 A60 R66 | L58-L62 WeakPolarHBondContact O-CB 3.24Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.45Å; L58-L62 PolarHBondContact O-N 2.86Å; G59-L62 PolarHBondContact O-N 3.3Å; A60-L62 VanDerWaalsContact C-N 3.33Å; A60-L62 PolarHBondContact O-N 2.89Å; L62-R66 VanDerWaalsContact O-CB 3.24Å; L62-R66 WeakPolarHBondContact O-CB 3.26Å; L62-R66 WeakPolarHBondContact O-CG 3.44Å; L62-R66 PolarHBondContact O-N 3.33Å |
| 63 | V | 82.6 | Confident | 84.9 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | G59 A60 C67 L68 A308 I312 | G59-V63 WeakPolarHBondContact O-CG2 3.38Å; G59-V63 PolarHBondContact O-N 3.43Å; A60-V63 PolarHBondContact O-N 3.05Å; V63-C67 HydrophobicContact CG1-CB 4.03Å; V63-C67 WeakPolarHBondContact O-CA 3.26Å; V63-C67 VanDerWaalsContact O-CB 3.24Å; V63-C67 WeakPolarHBondContact O-CB 3.37Å; V63-C67 PolarHBondContact O-N 3.02Å; V63-L68 PolarHBondContact O-N 2.7Å; V63-A308 HydrophobicContact CG1-CB 4.1Å; V63-I312 HydrophobicContact CG1-CD1 3.93Å; V63-I312 HydrophobicContact CG1-CG1 4.25Å; V63-I312 HydrophobicContact CG2-CD1 3.83Å |
| 64 | Y | 81.6 | Confident | 84.5 | Confident | 6 Ų | 6 | 74 Ų | 74 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | -179.2 | -62.7 | -17.6 | 0 | 0 | 0 | 112.3 | A60 L61 L68 M78 T79 Y304 A308 | A60-Y64 HydrophobicContact CB-CE2 4.15Å; A60-Y64 WeakPolarHBondContact O-CB 3.3Å; A60-Y64 WeakPolarHBondContact O-CD2 3.43Å; A60-Y64 PolarHBondContact O-N 3.29Å; L61-Y64 PolarHBondContact O-N 3.32Å; Y64-L68 HydrophobicContact CD1-CD1 3.4Å; Y64-L68 HydrophobicContact CD1-CG 4.15Å; Y64-L68 HydrophobicContact CE1-CD1 4.13Å; Y64-L68 HydrophobicContact CG-CD1 4.01Å; Y64-L68 WeakPolarHBondContact O-CB 3.18Å; Y64-M78 HydrophobicContact CE2-CB 4.01Å; Y64-T79 WeakPolarHBondContact CD2-OG1 3.39Å; Y64-Y304 WeakPolarHBondContact OH-CB 2.97Å; Y64-A308 HydrophobicContact CE1-CB 4.45Å |
| 65 | C | 80.2 | Confident | 84.2 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 53% | 0.534 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.5 | -30 | -179.8 | -70.1 | 0 | 0 | 0 | 0 | 113.6 | L61 | L61-C65 VanDerWaalsContact O-CB 3.24Å; L61-C65 WeakPolarHBondContact O-CB 3.19Å; L61-C65 PolarHBondContact O-N 2.99Å; L61-C65 PolarHBondContact O-SG 3.33Å |
| 66 | R | 79.4 | Confident | 84.2 | Confident | 209 Ų | 209 | 67.1 Ų | 67.1 | 79% | 0.789 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -107.4 | -34.2 | -172.4 | -60.5 | -61.1 | -173.8 | 91.8 | -0.9 | 114.5 | L62 | L62-R66 VanDerWaalsContact O-CB 3.24Å; L62-R66 WeakPolarHBondContact O-CB 3.26Å; L62-R66 WeakPolarHBondContact O-CG 3.44Å; L62-R66 PolarHBondContact O-N 3.33Å |
| 67 | C | 72.9 | Confident | 84.3 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -27.9 | -171.7 | -55 | 0 | 0 | 0 | 0 | 112.7 | V63 R69 | V63-C67 HydrophobicContact CG1-CB 4.03Å; V63-C67 WeakPolarHBondContact O-CA 3.26Å; V63-C67 VanDerWaalsContact O-CB 3.24Å; V63-C67 WeakPolarHBondContact O-CB 3.37Å; V63-C67 PolarHBondContact O-N 3.02Å; C67-R69 PolarHBondContact O-N 3.35Å |
| 68 | L | 73.4 | Confident | 84.2 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | trans | -80.4 | 112.6 | 179.3 | -64.5 | -176.6 | 0 | 0 | 0 | 111.5 | V63 Y64 K70 T75 V311 | V63-L68 PolarHBondContact O-N 2.7Å; Y64-L68 HydrophobicContact CD1-CD1 3.4Å; Y64-L68 HydrophobicContact CD1-CG 4.15Å; Y64-L68 HydrophobicContact CE1-CD1 4.13Å; Y64-L68 HydrophobicContact CG-CD1 4.01Å; Y64-L68 WeakPolarHBondContact O-CB 3.18Å; L68-K70 VanDerWaalsContact C-N 3.33Å; L68-T75 HydrophobicContact CD1-CG2 3.62Å; L68-V311 HydrophobicContact CD2-CG1 3.99Å | ||
| 69 | R | 68.3 | Low | 84.2 | Confident | 244 Ų | 244 | 64.2 Ų | 64.2 | 92% | 0.921 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -76.2 | -19.5 | 176.9 | -169.5 | 169.9 | 176.7 | 146.6 | -0.6 | 113.5 | C67 | C67-R69 PolarHBondContact O-N 3.35Š|
| 70 | K | 77.4 | Confident | 84.6 | Confident | 169 Ų | 169 | 63.2 Ų | 63.2 | 74% | 0.735 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -133.7 | 129.2 | -178.1 | -67.5 | -173.7 | 179.5 | -179.5 | 0 | 110.7 | L68 | L68-K70 VanDerWaalsContact C-N 3.33Š|
| 71 | W | 83.6 | Confident | 85.1 | Confident | 118 Ų | 118 | 63 Ų | 63 | 45% | 0.447 | 30% | 0.3 | S | S | . | . | trans | -87.9 | 109.1 | 174 | -69.2 | 85.1 | 0 | 0 | 0 | 110 | I76 T79 | W71-I76 HydrophobicContact CB-CD1 4.48Å; W71-I76 HydrophobicContact CB-CG1 4.45Å; W71-I76 HydrophobicContact CE3-CG1 3.99Å; W71-T79 HydrophobicContact CH2-CG2 4.23Å; W71-T79 HydrophobicContact CZ3-CG2 4.07Å; W71-T79 WeakPolarHBondContact CZ3-OG1 3.48Å | ||
| 72 | T | 87.9 | Confident | 85.4 | Confident | 59 Ų | 59 | 62 Ų | 62 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | trans | -93 | 163.9 | 171 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | S74 T75 I76 | T72-S74 VanDerWaalsContact C-N 3.28Å; T72-S74 PolarHBondContact O-N 3.35Å; T72-T75 PolarHBondContact N-OG1 2.93Å; T72-T75 PolarHBondContact O-N 3.46Å; T72-T75 VanDerWaalsContact O-N 3.11Å; T72-T75 PolarHBondContact O-OG1 3.25Å; T72-T75 VanDerWaalsContact OG1-CG2 3.3Å; T72-T75 WeakPolarHBondContact OG1-CG2 3.17Å; T72-T75 PolarHBondContact OG1-N 2.86Å; T72-T75 PolarHBondContact OG1-OG1 2.69Å; T72-I76 WeakPolarHBondContact O-CD1 3.35Å; T72-I76 WeakPolarHBondContact O-CG1 3.44Å; T72-I76 PolarHBondContact O-N 3.33Å | ||
| 73 | E | 89.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 60.1 Ų | 60.1 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.6 | -48 | 176.4 | -60.2 | 82.9 | 176.7 | 0 | 0 | 111.3 | T75 I76 Y77 R150 S151 P152 A155 | E73-T75 PolarHBondContact O-N 2.91Å; E73-I76 PolarHBondContact O-N 3.39Å; E73-Y77 WeakPolarHBondContact O-CD2 3.39Å; E73-Y77 PolarHBondContact O-N 3.47Å; E73-Y77 VanDerWaalsContact O-N 3.09Å; E73-R150 HydrophobicContact CG-CB 4.43Å; E73-S151 VanDerWaalsContact OE1-CA 3.26Å; E73-S151 WeakPolarHBondContact OE1-CA 3.48Å; E73-P152 WeakPolarHBondContact OE1-CD 3.46Å; E73-A155 HydrophobicContact CB-CB 4.11Å; E73-A155 HydrophobicContact CG-CB 4.37Å |
| 74 | S | 86.2 | Confident | 86.5 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 178.1 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | T72 I76 Y77 M78 | T72-S74 VanDerWaalsContact C-N 3.28Å; T72-S74 PolarHBondContact O-N 3.35Å; S74-I76 VanDerWaalsContact C-N 3.26Å; S74-I76 PolarHBondContact O-N 2.94Å; S74-Y77 PolarHBondContact O-N 3.47Å; S74-M78 WeakPolarHBondContact O-CB 3.42Å; S74-M78 WeakPolarHBondContact O-CG 3.16Å; S74-M78 PolarHBondContact O-N 3.29Å |
| 75 | T | 87.7 | Confident | 87.2 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 8% | 0.08 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -32 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | L68 T72 E73 M78 T79 | L68-T75 HydrophobicContact CD1-CG2 3.62Å; T72-T75 PolarHBondContact N-OG1 2.93Å; T72-T75 PolarHBondContact O-N 3.46Å; T72-T75 VanDerWaalsContact O-N 3.11Å; T72-T75 PolarHBondContact O-OG1 3.25Å; T72-T75 VanDerWaalsContact OG1-CG2 3.3Å; T72-T75 WeakPolarHBondContact OG1-CG2 3.17Å; T72-T75 PolarHBondContact OG1-N 2.86Å; T72-T75 PolarHBondContact OG1-OG1 2.69Å; E73-T75 PolarHBondContact O-N 2.91Å; T75-M78 HydrophobicContact CG2-CE 3.98Å; T75-T79 VanDerWaalsContact O-CB 3.27Å; T75-T79 WeakPolarHBondContact O-CB 3.33Å; T75-T79 PolarHBondContact O-N 3.4Å; T75-T79 PolarHBondContact O-OG1 2.93Å |
| 76 | I | 93.4 | Very high | 88 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -49.9 | 175.7 | -69.2 | 158 | 0 | 0 | 0 | 110.4 | W71 T72 E73 S74 M78 T79 S80 P152 A155 V156 | W71-I76 HydrophobicContact CB-CD1 4.48Å; W71-I76 HydrophobicContact CB-CG1 4.45Å; W71-I76 HydrophobicContact CE3-CG1 3.99Å; T72-I76 WeakPolarHBondContact O-CD1 3.35Å; T72-I76 WeakPolarHBondContact O-CG1 3.44Å; T72-I76 PolarHBondContact O-N 3.33Å; E73-I76 PolarHBondContact O-N 3.39Å; S74-I76 VanDerWaalsContact C-N 3.26Å; S74-I76 PolarHBondContact O-N 2.94Å; I76-M78 VanDerWaalsContact C-N 3.34Å; I76-M78 PolarHBondContact O-N 2.89Å; I76-T79 PolarHBondContact O-N 3.2Å; I76-S80 WeakPolarHBondContact O-CB 3.32Å; I76-S80 PolarHBondContact O-N 2.89Å; I76-P152 HydrophobicContact CD1-CB 3.66Å; I76-P152 WeakPolarHBondContact CD1-O 3.47Å; I76-A155 HydrophobicContact CB-CB 4.13Å; I76-A155 HydrophobicContact CD1-CB 4.18Å; I76-A155 HydrophobicContact CG2-CB 3.96Å; I76-V156 HydrophobicContact CD1-CG2 3.95Å; I76-V156 HydrophobicContact CG1-CG2 4.32Å; I76-V156 HydrophobicContact CG2-CG2 3.8Å |
| 77 | Y | 93.5 | Very high | 88.8 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 7% | 0.071 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.8 | -72.8 | -63.4 | 0 | 0 | 0 | 112.1 | E73 S74 S80 L81 C131 I132 D135 A155 T158 C159 | E73-Y77 WeakPolarHBondContact O-CD2 3.39Å; E73-Y77 PolarHBondContact O-N 3.47Å; E73-Y77 VanDerWaalsContact O-N 3.09Å; S74-Y77 PolarHBondContact O-N 3.47Å; Y77-S80 PolarHBondContact O-N 3.03Å; Y77-L81 PolarHBondContact O-N 3.48Å; Y77-C131 HydrophobicContact CD1-CB 4.4Å; Y77-C131 HydrophobicContact CE1-CB 4.04Å; Y77-I132 HydrophobicContact CG-CG1 4.21Å; Y77-D135 HydrophobicContact CD2-CB 4.44Å; Y77-D135 HydrophobicContact CE2-CB 3.96Å; Y77-A155 HydrophobicContact CD2-CB 4.26Å; Y77-A155 HydrophobicContact CE2-CB 3.78Å; Y77-T158 HydrophobicContact CE1-CG2 3.85Å; Y77-C159 WeakPolarHBondContact CD1-SG 2.94Å |
| 78 | M | 90.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.1 | -67.4 | -175.2 | -57.5 | 0 | 0 | 111.9 | Y64 S74 T75 I76 S80 L81 A82 Y304 | Y64-M78 HydrophobicContact CE2-CB 4.01Å; S74-M78 WeakPolarHBondContact O-CB 3.42Å; S74-M78 WeakPolarHBondContact O-CG 3.16Å; S74-M78 PolarHBondContact O-N 3.29Å; T75-M78 HydrophobicContact CG2-CE 3.98Å; I76-M78 VanDerWaalsContact C-N 3.34Å; I76-M78 PolarHBondContact O-N 2.89Å; M78-S80 VanDerWaalsContact C-N 3.32Å; M78-S80 PolarHBondContact O-N 3.09Å; M78-L81 PolarHBondContact O-N 3.27Å; M78-A82 WeakPolarHBondContact O-CB 3.43Å; M78-A82 PolarHBondContact O-N 2.9Å; M78-Y304 HydrophobicContact CB-CD1 4.21Å; M78-Y304 HydrophobicContact CB-CE1 3.94Å; M78-Y304 HydrophobicContact CG-CD1 3.83Å; M78-Y304 HydrophobicContact CG-CE1 3.33Å; M78-Y304 HydrophobicContact SD-CD1 3.44Å; M78-Y304 WeakPolarHBondContact SD-CD1 3.5Å; M78-Y304 HydrophobicContact SD-CE1 3.44Å; M78-Y304 WeakPolarHBondContact SD-CE1 3.31Å |
| 79 | T | 92.3 | Very high | 91 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | L61 Y64 W71 T75 I76 A82 L83 | L61-T79 HydrophobicContact CD2-CG2 3.66Å; Y64-T79 WeakPolarHBondContact CD2-OG1 3.39Å; W71-T79 HydrophobicContact CH2-CG2 4.23Å; W71-T79 HydrophobicContact CZ3-CG2 4.07Å; W71-T79 WeakPolarHBondContact CZ3-OG1 3.48Å; T75-T79 VanDerWaalsContact O-CB 3.27Å; T75-T79 WeakPolarHBondContact O-CB 3.33Å; T75-T79 PolarHBondContact O-N 3.4Å; T75-T79 PolarHBondContact O-OG1 2.93Å; I76-T79 PolarHBondContact O-N 3.2Å; T79-A82 PolarHBondContact O-N 3.45Å; T79-L83 HydrophobicContact CG2-CD1 4.45Å; T79-L83 WeakPolarHBondContact O-CG 3.24Å; T79-L83 PolarHBondContact O-N 3.47Å |
| 80 | S | 95.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 178.1 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | I76 Y77 M78 L83 M84 M128 W163 | I76-S80 WeakPolarHBondContact O-CB 3.32Å; I76-S80 PolarHBondContact O-N 2.89Å; Y77-S80 PolarHBondContact O-N 3.03Å; M78-S80 VanDerWaalsContact C-N 3.32Å; M78-S80 PolarHBondContact O-N 3.09Å; S80-L83 PolarHBondContact O-N 3.01Å; S80-M84 WeakPolarHBondContact O-CG 3.39Å; S80-M84 PolarHBondContact O-N 3.47Å; S80-M84 VanDerWaalsContact O-N 3.09Å; S80-M128 WeakPolarHBondContact OG-CE 3.38Å; S80-M128 PolarHBondContact OG-SD 3.31Å; S80-M128 VanDerWaalsContact OG-SD 3.35Å; S80-W163 PolarHBondContact OG-NE1 3.37Å |
| 81 | L | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -47.1 | 173 | -178 | 59.9 | 0 | 0 | 0 | 111.3 | Y77 M78 L83 M84 D85 G125 M128 I129 I132 D300 Y304 | Y77-L81 PolarHBondContact O-N 3.48Å; M78-L81 PolarHBondContact O-N 3.27Å; L81-L83 PolarHBondContact O-N 3.31Å; L81-M84 CarbonylContact O-C 3.59Å; L81-M84 WeakPolarHBondContact O-CA 3.24Å; L81-M84 WeakPolarHBondContact O-CB 3.24Å; L81-M84 PolarHBondContact O-N 2.83Å; L81-D85 PolarHBondContact O-N 3.34Å; L81-G125 VanDerWaalsContact CD1-CA 3.49Å; L81-M128 HydrophobicContact CB-CB 4.12Å; L81-M128 HydrophobicContact CD1-CB 3.81Å; L81-M128 HydrophobicContact CG-CB 4.49Å; L81-I129 HydrophobicContact CD1-CG1 4.26Å; L81-I129 HydrophobicContact CD2-CG1 3.91Å; L81-I132 HydrophobicContact CD2-CD1 4.28Å; L81-D300 HydrophobicContact CD2-CB 3.97Å; L81-Y304 HydrophobicContact CD2-CE2 3.91Å; L81-Y304 WeakPolarHBondContact CD2-OH 3.26Å; L81-Y304 HydrophobicContact CG-CE2 4.41Å |
| 82 | A | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59 | -34.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N57 L61 M78 T79 D85 L86 | N57-A82 HydrophobicContact CB-CB 4.49Å; N57-A82 WeakPolarHBondContact OD1-CA 3.37Å; L61-A82 HydrophobicContact CD2-CB 3.93Å; L61-A82 HydrophobicContact CG-CB 3.99Å; M78-A82 WeakPolarHBondContact O-CB 3.43Å; M78-A82 PolarHBondContact O-N 2.9Å; T79-A82 PolarHBondContact O-N 3.45Å; A82-D85 PolarHBondContact O-N 3.25Å; A82-L86 VanDerWaalsContact O-CG 3.3Å; A82-L86 WeakPolarHBondContact O-CG 3.43Å; A82-L86 PolarHBondContact O-N 2.93Å |
| 83 | L | 96.1 | Very high | 93.7 | Very high | 70 Ų | 70 | 20.9 Ų | 20.9 | 37% | 0.366 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 172.2 | -70.7 | 170.4 | 0 | 0 | 0 | 112.4 | L61 T79 S80 L81 L86 L87 W163 | L61-L83 HydrophobicContact CD1-CD2 3.82Å; L61-L83 HydrophobicContact CD1-CG 4.36Å; L61-L83 HydrophobicContact CD2-CG 4.36Å; T79-L83 HydrophobicContact CG2-CD1 4.45Å; T79-L83 WeakPolarHBondContact O-CG 3.24Å; T79-L83 PolarHBondContact O-N 3.47Å; S80-L83 PolarHBondContact O-N 3.01Å; L81-L83 PolarHBondContact O-N 3.31Å; L83-L86 PolarHBondContact O-N 2.88Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.3Å; L83-W163 HydrophobicContact CB-CH2 4.18Å; L83-W163 HydrophobicContact CB-CZ2 3.7Å; L83-W163 HydrophobicContact CD1-CZ2 4.38Å |
| 84 | M | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 173.8 | -69.9 | -60.8 | -172.1 | 0 | 0 | 111.9 | S80 L81 L87 L88 V120 G121 M128 W163 V166 | S80-M84 WeakPolarHBondContact O-CG 3.39Å; S80-M84 PolarHBondContact O-N 3.47Å; S80-M84 VanDerWaalsContact O-N 3.09Å; L81-M84 CarbonylContact O-C 3.59Å; L81-M84 WeakPolarHBondContact O-CA 3.24Å; L81-M84 WeakPolarHBondContact O-CB 3.24Å; L81-M84 PolarHBondContact O-N 2.83Å; M84-L87 WeakPolarHBondContact O-CB 3.35Å; M84-L87 PolarHBondContact O-N 3.32Å; M84-L87 HydrophobicContact SD-CD1 4.25Å; M84-L88 PolarHBondContact O-N 2.9Å; M84-V120 HydrophobicContact SD-CG1 4.37Å; M84-G121 VanDerWaalsContact O-CA 3.26Å; M84-G121 WeakPolarHBondContact O-CA 3.23Å; M84-M128 HydrophobicContact CE-CE 3.94Å; M84-M128 HydrophobicContact CG-CG 4.23Å; M84-W163 HydrophobicContact CE-CB 4.4Å; M84-W163 HydrophobicContact CE-CD2 3.54Å; M84-W163 VanDerWaalsContact CE-CE2 3.41Å; M84-W163 HydrophobicContact CE-CE3 4.26Å; M84-W163 HydrophobicContact CE-CG 3.6Å; M84-W163 HydrophobicContact CE-CZ2 3.98Å; M84-W163 HydrophobicContact CG-CZ2 4.41Å; M84-W163 HydrophobicContact SD-CD2 4.46Å; M84-W163 HydrophobicContact SD-CH2 4.36Å; M84-W163 HydrophobicContact SD-CZ2 3.98Å; M84-V166 HydrophobicContact CE-CG2 3.97Å |
| 85 | D | 96.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.8 | -70.9 | -27 | 0 | 0 | 0 | 111.2 | N57 L81 A82 L87 L88 L89 C297 | N57-D85 PolarHBondContact OD1-OD2 2.9Å; L81-D85 PolarHBondContact O-N 3.34Å; A82-D85 PolarHBondContact O-N 3.25Å; D85-L87 VanDerWaalsContact C-N 3.35Å; D85-L87 PolarHBondContact O-N 3.04Å; D85-L88 WeakPolarHBondContact O-CB 3.3Å; D85-L88 PolarHBondContact O-N 3.48Å; D85-L88 VanDerWaalsContact O-N 3.14Å; D85-L89 WeakPolarHBondContact O-CB 3.32Å; D85-L89 WeakPolarHBondContact O-CG 3.36Å; D85-L89 PolarHBondContact O-N 3.46Å; D85-C297 HydrophobicContact CB-CB 3.95Å; D85-C297 PolarHBondContact OD1-SG 3.43Å |
| 86 | L | 96.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 9% | 0.094 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -39 | 174 | -69 | 175.5 | 0 | 0 | 0 | 112.4 | M54 N57 L58 L61 A82 L83 L88 L89 L90 | M54-L86 HydrophobicContact CE-CD2 4.4Å; M54-L86 HydrophobicContact SD-CD2 3.66Å; N57-L86 HydrophobicContact CB-CD2 3.93Å; N57-L86 HydrophobicContact CB-CG 4.07Å; L58-L86 HydrophobicContact CD2-CD1 3.78Å; L58-L86 HydrophobicContact CD2-CD2 4.09Å; L58-L86 HydrophobicContact CG-CD1 4.47Å; L58-L86 HydrophobicContact CG-CD2 4Å; L61-L86 HydrophobicContact CD1-CD1 3.39Å; A82-L86 VanDerWaalsContact O-CG 3.3Å; A82-L86 WeakPolarHBondContact O-CG 3.43Å; A82-L86 PolarHBondContact O-N 2.93Å; L83-L86 PolarHBondContact O-N 2.88Å; L86-L88 PolarHBondContact O-N 3.44Å; L86-L89 HydrophobicContact CD2-CD1 4.47Å; L86-L89 PolarHBondContact O-N 3.1Å; L86-L90 WeakPolarHBondContact O-CB 3.44Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.11Å |
| 87 | L | 96.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 15% | 0.152 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.1 | -32.6 | 173.6 | -73.7 | -175.7 | 0 | 0 | 0 | 112.7 | L83 M84 D85 P91 L117 V120 W163 F167 | L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.3Å; M84-L87 WeakPolarHBondContact O-CB 3.35Å; M84-L87 PolarHBondContact O-N 3.32Å; M84-L87 HydrophobicContact SD-CD1 4.25Å; D85-L87 VanDerWaalsContact C-N 3.35Å; D85-L87 PolarHBondContact O-N 3.04Å; L87-P91 WeakPolarHBondContact O-CD 3.46Å; L87-P91 WeakPolarHBondContact O-CG 3.39Å; L87-L117 HydrophobicContact CD2-CD2 4.23Å; L87-L117 CarbonylContact O-C 3.56Å; L87-V120 HydrophobicContact CD1-CG1 4.04Å; L87-W163 HydrophobicContact CD1-CH2 3.44Å; L87-W163 VanDerWaalsContact CD1-CH2 3.44Å; L87-W163 HydrophobicContact CD1-CZ2 4.43Å; L87-W163 HydrophobicContact CD1-CZ3 3.56Å; L87-W163 HydrophobicContact CG-CH2 4.25Å; L87-F167 HydrophobicContact CD1-CE2 4.32Å; L87-F167 HydrophobicContact CD1-CZ 4.16Å |
| 88 | L | 95.8 | Very high | 93 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74 | -42.7 | 173.6 | -177.9 | 154.4 | 0 | 0 | 0 | 112.3 | M84 D85 L86 P91 L92 Y118 T122 N294 | M84-L88 PolarHBondContact O-N 2.9Å; D85-L88 WeakPolarHBondContact O-CB 3.3Å; D85-L88 PolarHBondContact O-N 3.48Å; D85-L88 VanDerWaalsContact O-N 3.14Å; L86-L88 PolarHBondContact O-N 3.44Å; L88-P91 WeakPolarHBondContact O-CD 3.26Å; L88-L92 HydrophobicContact CD2-CD1 4.29Å; L88-L92 HydrophobicContact CD2-CG 4.48Å; L88-Y118 HydrophobicContact CD1-CE2 4.39Å; L88-Y118 HydrophobicContact CD2-CD2 4.48Å; L88-Y118 HydrophobicContact CD2-CE2 4.17Å; L88-Y118 HydrophobicContact CG-CD2 3.98Å; L88-Y118 HydrophobicContact CG-CE2 3.93Å; L88-T122 VanDerWaalsContact CD1-OG1 3.31Å; L88-T122 WeakPolarHBondContact CD1-OG1 3.49Å; L88-N294 HydrophobicContact CD2-CB 4.08Å |
| 89 | L | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.9 | -36.7 | -174.2 | -68.1 | 167.7 | 0 | 0 | 0 | 112.5 | I49 F50 M54 D85 L86 L92 P93 C297 | I49-L89 HydrophobicContact CG2-CD2 3.95Å; F50-L89 HydrophobicContact CD2-CB 4.48Å; F50-L89 WeakPolarHBondContact CD2-O 3.46Å; M54-L89 HydrophobicContact CG-CB 4.38Å; M54-L89 HydrophobicContact CG-CD1 4.36Å; M54-L89 HydrophobicContact SD-CB 3.9Å; M54-L89 HydrophobicContact SD-CD1 4.25Å; D85-L89 WeakPolarHBondContact O-CB 3.32Å; D85-L89 WeakPolarHBondContact O-CG 3.36Å; D85-L89 PolarHBondContact O-N 3.46Å; L86-L89 HydrophobicContact CD2-CD1 4.47Å; L86-L89 PolarHBondContact O-N 3.1Å; L89-L92 HydrophobicContact CD2-CD1 3.78Å; L89-L92 WeakPolarHBondContact O-CB 3.2Å; L89-L92 PolarHBondContact O-N 3.14Å; L89-P93 WeakPolarHBondContact O-CD 3.5Å; L89-C297 HydrophobicContact CD1-CB 4.47Å; L89-C297 HydrophobicContact CD2-CB 4.4Å; L89-C297 HydrophobicContact CG-CB 4.46Å |
| 90 | L | 95.8 | Very high | 91.7 | Very high | 86 Ų | 86 | 28 Ų | 28 | 45% | 0.45 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -40.2 | -177.9 | -75.5 | 170.6 | 0 | 0 | 0 | 113.6 | M54 L86 P93 | M54-L90 HydrophobicContact CE-CD2 4.37Å; L86-L90 WeakPolarHBondContact O-CB 3.44Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.11Å; L90-P93 WeakPolarHBondContact O-CD 3.3Å |
| 91 | P | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.4 | 172.2 | -26.3 | 35.9 | 0 | 0 | 0 | 116.1 | L87 L88 F94 K95 L114 L117 F188 | L87-P91 WeakPolarHBondContact O-CD 3.46Å; L87-P91 WeakPolarHBondContact O-CG 3.39Å; L88-P91 WeakPolarHBondContact O-CD 3.26Å; P91-F94 WeakPolarHBondContact O-CB 3.4Å; P91-F94 PolarHBondContact O-N 2.82Å; P91-F94 VanDerWaalsContact O-N 3.08Å; P91-K95 PolarHBondContact O-N 2.88Å; P91-L114 HydrophobicContact CB-CB 4.32Å; P91-L114 HydrophobicContact CB-CD2 4.38Å; P91-L114 WeakPolarHBondContact CB-O 3.3Å; P91-L114 HydrophobicContact CG-CD2 4.37Å; P91-L114 VanDerWaalsContact CG-O 3.27Å; P91-L114 WeakPolarHBondContact CG-O 3.32Å; P91-L117 HydrophobicContact CG-CB 3.77Å; P91-F188 HydrophobicContact CB-CZ 4.24Å |
| 92 | L | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | -172.4 | -68.9 | -176.7 | 0 | 0 | 0 | 114.1 | Y46 I49 F50 L88 L89 F94 K95 M96 Y118 | Y46-L92 HydrophobicContact CD1-CD1 4.4Å; Y46-L92 HydrophobicContact CD1-CD2 4.08Å; Y46-L92 HydrophobicContact CE1-CD2 4.09Å; I49-L92 HydrophobicContact CG2-CD1 4.14Å; F50-L92 HydrophobicContact CD2-CB 4.48Å; L88-L92 HydrophobicContact CD2-CD1 4.29Å; L88-L92 HydrophobicContact CD2-CG 4.48Å; L89-L92 HydrophobicContact CD2-CD1 3.78Å; L89-L92 WeakPolarHBondContact O-CB 3.2Å; L89-L92 PolarHBondContact O-N 3.14Å; L92-F94 VanDerWaalsContact C-N 3.27Å; L92-F94 PolarHBondContact O-N 3.22Å; L92-K95 HydrophobicContact CD2-CD 4.35Å; L92-K95 WeakPolarHBondContact O-CB 3.24Å; L92-K95 PolarHBondContact O-N 3.02Å; L92-M96 WeakPolarHBondContact O-CG 3.46Å; L92-M96 PolarHBondContact O-N 3.04Å; L92-Y118 HydrophobicContact CD2-CD2 4.23Å; L92-Y118 HydrophobicContact CD2-CE2 3.93Å |
| 93 | P | 91.9 | Very high | 89.7 | Confident | 47 Ų | 47 | 36.4 Ų | 36.4 | 31% | 0.305 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.7 | -40.6 | 174.4 | -26 | 35.9 | 0 | 0 | 0 | 113 | F50 L89 L90 M96 H97 | F50-P93 HydrophobicContact CD2-CG 3.96Å; F50-P93 HydrophobicContact CE1-CG 4.31Å; F50-P93 HydrophobicContact CE2-CG 3.6Å; F50-P93 HydrophobicContact CG-CG 4.46Å; F50-P93 HydrophobicContact CZ-CG 3.79Å; L89-P93 WeakPolarHBondContact O-CD 3.5Å; L90-P93 WeakPolarHBondContact O-CD 3.3Å; P93-M96 HydrophobicContact CB-CE 4.44Å; P93-M96 PolarHBondContact O-N 3.28Å; P93-H97 WeakPolarHBondContact O-CB 3.31Å; P93-H97 PolarHBondContact O-N 3.4Å |
| 94 | F | 90.6 | Very high | 89.1 | Confident | 96 Ų | 96 | 35.4 Ų | 35.4 | 42% | 0.421 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.6 | -37.4 | 178.1 | -59 | -81.3 | 0 | 0 | 0 | 112.1 | P91 L92 H97 A98 W103 L114 | P91-F94 WeakPolarHBondContact O-CB 3.4Å; P91-F94 PolarHBondContact O-N 2.82Å; P91-F94 VanDerWaalsContact O-N 3.08Å; L92-F94 VanDerWaalsContact C-N 3.27Å; L92-F94 PolarHBondContact O-N 3.22Å; F94-H97 PolarHBondContact O-N 2.96Å; F94-A98 VanDerWaalsContact O-CB 3.28Å; F94-A98 WeakPolarHBondContact O-CB 3.48Å; F94-A98 PolarHBondContact O-N 2.96Å; F94-W103 HydrophobicContact CB-CH2 4.2Å; F94-W103 HydrophobicContact CB-CZ2 4.2Å; F94-W103 AromaticContact CD1-CH2 3.82Å; F94-W103 HydrophobicContact CD1-CH2 3.82Å; F94-W103 HydrophobicContact CD1-CZ2 4.22Å; F94-W103 HydrophobicContact CG-CH2 4.42Å; F94-L114 HydrophobicContact CB-CD1 3.74Å; F94-L114 HydrophobicContact CD1-CD1 4.06Å; F94-L114 HydrophobicContact CD2-CD1 4.01Å; F94-L114 HydrophobicContact CD2-CD2 3.91Å; F94-L114 HydrophobicContact CE2-CD2 4.23Å; F94-L114 HydrophobicContact CG-CD1 3.67Å; F94-L114 HydrophobicContact CG-CD2 4.42Å |
| 95 | K | 87.8 | Confident | 88.3 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 173.1 | -172.9 | 178.9 | -175.1 | -176.4 | 0 | 111 | Y46 P91 L92 A98 A99 Y118 F188 | Y46-K95 HydrophobicContact CE2-CD 4.23Å; Y46-K95 WeakPolarHBondContact OH-CE 3.41Å; Y46-K95 PolarHBondContact OH-NZ 3.22Å; P91-K95 PolarHBondContact O-N 2.88Å; L92-K95 HydrophobicContact CD2-CD 4.35Å; L92-K95 WeakPolarHBondContact O-CB 3.24Å; L92-K95 PolarHBondContact O-N 3.02Å; K95-A98 PolarHBondContact O-N 3.29Å; K95-A99 PolarHBondContact O-N 2.89Å; K95-A99 VanDerWaalsContact O-N 3.11Å; K95-Y118 PolarHBondContact NZ-OH 3.46Å; K95-F188 HydrophobicContact CB-CD1 4.48Å; K95-F188 HydrophobicContact CB-CD2 4.04Å; K95-F188 HydrophobicContact CB-CE1 4.44Å; K95-F188 HydrophobicContact CB-CE2 4.05Å; K95-F188 HydrophobicContact CB-CG 4.28Å; K95-F188 HydrophobicContact CB-CZ 4.25Å; K95-F188 HydrophobicContact CD-CD1 4.07Å; K95-F188 HydrophobicContact CD-CE1 4.35Å; K95-F188 HydrophobicContact CD-CG 4.37Å; K95-F188 HydrophobicContact CG-CB 4.12Å; K95-F188 HydrophobicContact CG-CD1 4.01Å; K95-F188 HydrophobicContact CG-CD2 4.06Å; K95-F188 HydrophobicContact CG-CE1 4.39Å; K95-F188 HydrophobicContact CG-CE2 4.49Å; K95-F188 HydrophobicContact CG-CG 3.82Å |
| 96 | M | 87.4 | Confident | 87.7 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.6 | -70.6 | -174.9 | -66.6 | 0 | 0 | 111.5 | L43 Y46 I47 L92 P93 A98 A99 Y100 | L43-M96 HydrophobicContact CD1-CB 4.34Å; L43-M96 HydrophobicContact CD1-CG 4.31Å; L43-M96 HydrophobicContact CD1-SD 3.67Å; Y46-M96 WeakPolarHBondContact CB-SD 3.24Å; Y46-M96 HydrophobicContact CD2-CG 3.8Å; Y46-M96 HydrophobicContact CD2-SD 4.46Å; Y46-M96 HydrophobicContact CG-CG 4.28Å; Y46-M96 HydrophobicContact CG-SD 4.41Å; I47-M96 HydrophobicContact CG1-CE 4.4Å; I47-M96 HydrophobicContact CG1-SD 3.94Å; L92-M96 WeakPolarHBondContact O-CG 3.46Å; L92-M96 PolarHBondContact O-N 3.04Å; P93-M96 HydrophobicContact CB-CE 4.44Å; P93-M96 PolarHBondContact O-N 3.28Å; M96-A98 PolarHBondContact O-N 2.87Å; M96-A99 WeakPolarHBondContact O-CB 3.39Å; M96-A99 PolarHBondContact O-N 2.83Å; M96-Y100 WeakPolarHBondContact O-CD2 3.39Å |
| 97 | H | 87.2 | Confident | 87.1 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.6 | 178.3 | -98.5 | 0 | 0 | 0 | 112.1 | P93 F94 A99 Y100 H101 W103 | P93-H97 WeakPolarHBondContact O-CB 3.31Å; P93-H97 PolarHBondContact O-N 3.4Å; F94-H97 PolarHBondContact O-N 2.96Å; H97-A99 PolarHBondContact O-N 3.35Å; H97-Y100 PolarHBondContact O-N 2.9Å; H97-Y100 VanDerWaalsContact O-N 3.16Å; H97-H101 AromaticContact CD2-CD2 3.47Å; H97-H101 PolarHBondContact CD2-CD2 2.82Å; H97-H101 VanDerWaalsContact CD2-CD2 3.47Å; H97-H101 AromaticContact NE2-CD2 3.36Å; H97-H101 PolarHBondContact NE2-CD2 3.49Å; H97-H101 AromaticContact NE2-CG 3.75Å; H97-H101 PolarHBondContact O-CD2 2.86Å; H97-H101 PolarHBondContact O-N 3.41Å; H97-W103 AromaticContact CE1-NE1 3.88Å; H97-W103 AromaticContact ND1-CE2 3.73Å; H97-W103 AromaticContact ND1-CZ2 3.83Å; H97-W103 AromaticContact ND1-NE1 3.26Å; H97-W103 PolarHBondContact ND1-NE1 3.34Å |
| 98 | A | 82.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -19.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F94 K95 M96 Y100 C187 F188 | F94-A98 VanDerWaalsContact O-CB 3.28Å; F94-A98 WeakPolarHBondContact O-CB 3.48Å; F94-A98 PolarHBondContact O-N 2.96Å; K95-A98 PolarHBondContact O-N 3.29Å; M96-A98 PolarHBondContact O-N 2.87Å; A98-Y100 VanDerWaalsContact C-N 3.29Å; A98-C187 HydrophobicContact CB-CB 3.78Å; A98-F188 HydrophobicContact CB-CD2 4.43Å |
| 99 | A | 78.1 | Confident | 85.8 | Confident | 14 Ų | 14 | 57 Ų | 57 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.9 | -26.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K39 K95 M96 H97 | K39-A99 WeakPolarHBondContact CE-O 3.22Å; K95-A99 PolarHBondContact O-N 2.89Å; K95-A99 VanDerWaalsContact O-N 3.11Å; M96-A99 WeakPolarHBondContact O-CB 3.39Å; M96-A99 PolarHBondContact O-N 2.83Å; H97-A99 PolarHBondContact O-N 3.35Å |
| 100 | Y | 77.3 | Confident | 85.4 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -106 | -27.5 | -179.4 | -67.7 | -93.3 | 0 | 0 | 0 | 113.3 | K39 H40 M96 H97 A98 | K39-Y100 HydrophobicContact CB-CD1 4.49Å; K39-Y100 HydrophobicContact CB-CE1 3.74Å; K39-Y100 HydrophobicContact CB-CE2 4.07Å; K39-Y100 WeakPolarHBondContact CB-OH 3.28Å; K39-Y100 HydrophobicContact CD-CD1 4.02Å; K39-Y100 HydrophobicContact CD-CE1 3.96Å; K39-Y100 HydrophobicContact CG-CE1 4.35Å; K39-Y100 PolarHBondContact O-OH 3.34Å; H40-Y100 PolarHBondContact N-OH 2.85Å; M96-Y100 WeakPolarHBondContact O-CD2 3.39Å; H97-Y100 PolarHBondContact O-N 2.9Å; H97-Y100 VanDerWaalsContact O-N 3.16Å; A98-Y100 VanDerWaalsContact C-N 3.29Å |
| 101 | H | 81.4 | Confident | 84.9 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -120.1 | 140.8 | -172.9 | -61.1 | -72.4 | 0 | 0 | 0 | 112 | H97 | H97-H101 AromaticContact CD2-CD2 3.47Å; H97-H101 PolarHBondContact CD2-CD2 2.82Å; H97-H101 VanDerWaalsContact CD2-CD2 3.47Å; H97-H101 AromaticContact NE2-CD2 3.36Å; H97-H101 PolarHBondContact NE2-CD2 3.49Å; H97-H101 AromaticContact NE2-CG 3.75Å; H97-H101 PolarHBondContact O-CD2 2.86Å; H97-H101 PolarHBondContact O-N 3.41Å |
| 102 | T | 81.6 | Confident | 84.5 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | trans | -71.7 | 149 | 162.3 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | F185 | T102-F185 WeakPolarHBondContact CA-O 3.45Š| ||
| 103 | W | 81.8 | Confident | 84.3 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 137.4 | 176.5 | -76.8 | 44.7 | 0 | 0 | 0 | 109.3 | F94 H97 F107 L114 F185 C187 | F94-W103 HydrophobicContact CB-CH2 4.2Å; F94-W103 HydrophobicContact CB-CZ2 4.2Å; F94-W103 AromaticContact CD1-CH2 3.82Å; F94-W103 HydrophobicContact CD1-CH2 3.82Å; F94-W103 HydrophobicContact CD1-CZ2 4.22Å; F94-W103 HydrophobicContact CG-CH2 4.42Å; H97-W103 AromaticContact CE1-NE1 3.88Å; H97-W103 AromaticContact ND1-CE2 3.73Å; H97-W103 AromaticContact ND1-CZ2 3.83Å; H97-W103 AromaticContact ND1-NE1 3.26Å; H97-W103 PolarHBondContact ND1-NE1 3.34Å; W103-F107 HydrophobicContact CE3-CB 3.59Å; W103-F107 HydrophobicContact CE3-CG 4.23Å; W103-F107 HydrophobicContact CZ3-CB 4.14Å; W103-L114 HydrophobicContact CH2-CD1 4.13Å; W103-L114 HydrophobicContact CZ3-CD1 4.5Å; W103-F185 HydrophobicContact CB-CE1 4.21Å; W103-F185 HydrophobicContact CB-CE2 4.38Å; W103-F185 HydrophobicContact CB-CZ 4Å; W103-F185 PolarHBondContact N-O 3.49Å; W103-F185 WeakPolarHBondContact O-CD1 3.08Å; W103-F185 PolarHBondContact O-N 3.09Å; W103-F185 VanDerWaalsContact O-N 3.12Å; W103-C187 HydrophobicContact CG-CB 4.47Å |
| 104 | P | 84 | Confident | 84.2 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | trans | -60.5 | 149.4 | 173.1 | -20.5 | 30 | 0 | 0 | 0 | 111.5 | E106 F107 F185 | P104-E106 HydrophobicContact CB-CG 4.05Å; P104-E106 PolarHBondContact O-N 3.32Å; P104-E106 VanDerWaalsContact O-N 3.14Å; P104-F107 HydrophobicContact CB-CD2 3.99Å; P104-F107 HydrophobicContact CB-CE2 4.36Å; P104-F107 HydrophobicContact CG-CD2 3.96Å; P104-F107 HydrophobicContact CG-CE2 4.09Å; P104-F107 PolarHBondContact O-N 3.43Å; P104-F185 WeakPolarHBondContact O-CE1 3.19Å | ||
| 105 | Q | 80.2 | Confident | 84 | Confident | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -55.1 | -34.3 | -176.5 | -175.6 | -177.8 | -8.8 | 0 | 0 | 113.4 | F107 Q108 V181 K182 | Q105-F107 PolarHBondContact O-N 2.85Å; Q105-F107 VanDerWaalsContact O-N 3.15Å; Q105-Q108 WeakPolarHBondContact O-CB 3.46Å; Q105-Q108 PolarHBondContact O-N 3.05Å; Q105-V181 VanDerWaalsContact CG-O 3.31Å; Q105-V181 WeakPolarHBondContact CG-O 3.21Å; Q105-V181 PolarHBondContact NE2-O 3.27Å; Q105-V181 PolarHBondContact OE1-O 2.82Å; Q105-K182 PolarHBondContact OE1-O 2.96Å |
| 106 | E | 82.5 | Confident | 84.1 | Confident | 155 Ų | 155 | 52.2 Ų | 52.2 | 72% | 0.724 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -58.2 | -25.4 | 177.3 | 63.9 | -144.8 | -147.5 | 0 | 0 | 113.8 | P104 Q108 | P104-E106 HydrophobicContact CB-CG 4.05Å; P104-E106 PolarHBondContact O-N 3.32Å; P104-E106 VanDerWaalsContact O-N 3.14Å; E106-Q108 VanDerWaalsContact C-N 3.31Å; E106-Q108 PolarHBondContact O-N 3.19Å |
| 107 | F | 85.1 | Confident | 84.3 | Confident | 91 Ų | 91 | 52 Ų | 52 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -88.8 | 10.1 | 177 | -63.5 | -80.8 | 0 | 0 | 0 | 113.7 | W103 P104 Q105 F109 A110 C111 | W103-F107 HydrophobicContact CE3-CB 3.59Å; W103-F107 HydrophobicContact CE3-CG 4.23Å; W103-F107 HydrophobicContact CZ3-CB 4.14Å; P104-F107 HydrophobicContact CB-CD2 3.99Å; P104-F107 HydrophobicContact CB-CE2 4.36Å; P104-F107 HydrophobicContact CG-CD2 3.96Å; P104-F107 HydrophobicContact CG-CE2 4.09Å; P104-F107 PolarHBondContact O-N 3.43Å; Q105-F107 PolarHBondContact O-N 2.85Å; Q105-F107 VanDerWaalsContact O-N 3.15Å; F107-F109 VanDerWaalsContact C-N 3.28Å; F107-F109 PolarHBondContact O-N 3.38Å; F107-A110 HydrophobicContact CD1-CB 4.47Å; F107-A110 PolarHBondContact O-N 3.01Å; F107-C111 WeakPolarHBondContact O-CB 3.44Å; F107-C111 PolarHBondContact O-N 2.89Å |
| 108 | Q | 81.4 | Confident | 84.6 | Confident | 35 Ų | 35 | 47.6 Ų | 47.6 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -38.7 | 178.8 | -173.6 | 178.4 | -35.6 | 0 | 0 | 112.5 | Q105 E106 S112 F185 | Q105-Q108 WeakPolarHBondContact O-CB 3.46Å; Q105-Q108 PolarHBondContact O-N 3.05Å; E106-Q108 VanDerWaalsContact C-N 3.31Å; E106-Q108 PolarHBondContact O-N 3.19Å; Q108-S112 WeakPolarHBondContact O-CB 3.39Å; Q108-S112 PolarHBondContact O-N 3.09Å; Q108-S112 PolarHBondContact O-OG 3.23Å; Q108-F185 HydrophobicContact CB-CE1 4.11Å; Q108-F185 HydrophobicContact CB-CZ 4.17Å |
| 109 | F | 82.8 | Confident | 85 | Confident | 141 Ų | 141 | 48.5 Ų | 48.5 | 62% | 0.618 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.4 | -48.2 | 175 | 179.8 | -93.3 | 0 | 0 | 0 | 111.4 | F107 C111 S112 F113 F175 | F107-F109 VanDerWaalsContact C-N 3.28Å; F107-F109 PolarHBondContact O-N 3.38Å; F109-C111 PolarHBondContact O-N 3.11Å; F109-S112 PolarHBondContact O-N 3.3Å; F109-F113 WeakPolarHBondContact O-CB 3.44Å; F109-F113 PolarHBondContact O-N 3.38Å; F109-F175 AromaticContact CD2-CE1 3.73Å; F109-F175 HydrophobicContact CD2-CE1 3.73Å; F109-F175 HydrophobicContact CD2-CZ 4.06Å; F109-F175 AromaticContact CE2-CE1 3.71Å; F109-F175 HydrophobicContact CE2-CE1 3.71Å; F109-F175 AromaticContact CE2-CZ 3.71Å; F109-F175 HydrophobicContact CE2-CZ 3.71Å; F109-F175 HydrophobicContact CZ-CZ 4.41Å |
| 110 | A | 87.3 | Confident | 85.8 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F107 S112 F113 L114 | F107-A110 HydrophobicContact CD1-CB 4.47Å; F107-A110 PolarHBondContact O-N 3.01Å; A110-S112 PolarHBondContact O-N 2.95Å; A110-F113 PolarHBondContact O-N 2.92Å; A110-L114 WeakPolarHBondContact O-CB 3.45Å; A110-L114 VanDerWaalsContact O-CG 3.26Å; A110-L114 WeakPolarHBondContact O-CG 3.31Å; A110-L114 PolarHBondContact O-N 3.46Å |
| 111 | C | 86.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -49.8 | 173.5 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | F107 F109 F113 L114 E115 F185 C187 | F107-C111 WeakPolarHBondContact O-CB 3.44Å; F107-C111 PolarHBondContact O-N 2.89Å; F109-C111 PolarHBondContact O-N 3.11Å; C111-F113 VanDerWaalsContact C-N 3.3Å; C111-F113 PolarHBondContact O-N 2.84Å; C111-L114 PolarHBondContact O-N 3.21Å; C111-E115 WeakPolarHBondContact O-CB 3.46Å; C111-E115 PolarHBondContact O-N 3.47Å; C111-F185 HydrophobicContact CB-CE2 3.89Å; C111-F185 HydrophobicContact CB-CZ 3.94Å; C111-C187 WeakPolarHBondContact CA-SG 3.2Å; C111-C187 HydrophobicContact CB-CB 3.9Å; C111-C187 WeakPolarHBondContact CB-SG 3.28Å; C111-C187 VanDerWaalsContact SG-CA 3.51Å; C111-C187 WeakPolarHBondContact SG-CB 3.39Å; C111-C187 CovalentContact SG-SG 2.01Å; C111-C187 PolarHBondContact SG-SG 3.49Å |
| 112 | S | 84.4 | Confident | 87.4 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | -179.8 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | Q108 F109 A110 E115 N116 R178 | Q108-S112 WeakPolarHBondContact O-CB 3.39Å; Q108-S112 PolarHBondContact O-N 3.09Å; Q108-S112 PolarHBondContact O-OG 3.23Å; F109-S112 PolarHBondContact O-N 3.3Å; A110-S112 PolarHBondContact O-N 2.95Å; S112-E115 PolarHBondContact O-N 3.43Å; S112-N116 WeakPolarHBondContact O-CB 3.26Å; S112-N116 PolarHBondContact O-N 3.02Å; S112-N116 PolarHBondContact O-ND2 2.99Å; S112-R178 WeakPolarHBondContact OG-CD 3.23Å |
| 113 | F | 87.8 | Confident | 88.1 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 36% | 0.36 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63 | -47.6 | 176.9 | -179.1 | -104.5 | 0 | 0 | 0 | 112.4 | F109 A110 C111 E115 N116 L117 F171 | F109-F113 WeakPolarHBondContact O-CB 3.44Å; F109-F113 PolarHBondContact O-N 3.38Å; A110-F113 PolarHBondContact O-N 2.92Å; C111-F113 VanDerWaalsContact C-N 3.3Å; C111-F113 PolarHBondContact O-N 2.84Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 3.33Å; F113-N116 WeakPolarHBondContact O-CB 3.35Å; F113-N116 PolarHBondContact O-N 3.48Å; F113-L117 HydrophobicContact CD1-CD1 4.14Å; F113-L117 HydrophobicContact CD1-CG 4.41Å; F113-L117 HydrophobicContact CE1-CD1 3.52Å; F113-L117 HydrophobicContact CE1-CG 4.04Å; F113-L117 HydrophobicContact CE2-CD2 4.3Å; F113-L117 HydrophobicContact CE2-CG 4.48Å; F113-L117 HydrophobicContact CZ-CD1 3.86Å; F113-L117 HydrophobicContact CZ-CD2 4.04Å; F113-L117 HydrophobicContact CZ-CG 4.08Å; F113-L117 WeakPolarHBondContact O-CG 3.33Å; F113-L117 PolarHBondContact O-N 3.26Å; F113-F171 HydrophobicContact CD2-CE1 4.02Å; F113-F171 HydrophobicContact CD2-CZ 4.09Å; F113-F171 HydrophobicContact CE2-CE1 4.23Å; F113-F171 HydrophobicContact CE2-CZ 4.02Å |
| 114 | L | 90.5 | Very high | 88.8 | Confident | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.12 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 177.5 | -71.2 | 168.5 | 0 | 0 | 0 | 112.1 | P91 F94 W103 A110 C111 L117 Y118 F188 | P91-L114 HydrophobicContact CB-CB 4.32Å; P91-L114 HydrophobicContact CB-CD2 4.38Å; P91-L114 WeakPolarHBondContact CB-O 3.3Å; P91-L114 HydrophobicContact CG-CD2 4.37Å; P91-L114 VanDerWaalsContact CG-O 3.27Å; P91-L114 WeakPolarHBondContact CG-O 3.32Å; F94-L114 HydrophobicContact CB-CD1 3.74Å; F94-L114 HydrophobicContact CD1-CD1 4.06Å; F94-L114 HydrophobicContact CD2-CD1 4.01Å; F94-L114 HydrophobicContact CD2-CD2 3.91Å; F94-L114 HydrophobicContact CE2-CD2 4.23Å; F94-L114 HydrophobicContact CG-CD1 3.67Å; F94-L114 HydrophobicContact CG-CD2 4.42Å; W103-L114 HydrophobicContact CH2-CD1 4.13Å; W103-L114 HydrophobicContact CZ3-CD1 4.5Å; A110-L114 WeakPolarHBondContact O-CB 3.45Å; A110-L114 VanDerWaalsContact O-CG 3.26Å; A110-L114 WeakPolarHBondContact O-CG 3.31Å; A110-L114 PolarHBondContact O-N 3.46Å; C111-L114 PolarHBondContact O-N 3.21Å; L114-L117 PolarHBondContact O-N 2.77Å; L114-Y118 PolarHBondContact O-N 3.36Å; L114-F188 HydrophobicContact CB-CE2 4.34Å; L114-F188 HydrophobicContact CB-CZ 4.04Å |
| 115 | E | 86.8 | Confident | 89.4 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.2 | -177.2 | 178.8 | -121 | 0 | 0 | 112 | C111 S112 F113 Y118 F119 R178 F188 | C111-E115 WeakPolarHBondContact O-CB 3.46Å; C111-E115 PolarHBondContact O-N 3.47Å; S112-E115 PolarHBondContact O-N 3.43Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 3.33Å; E115-Y118 WeakPolarHBondContact O-CB 3.44Å; E115-Y118 PolarHBondContact O-N 3.3Å; E115-F119 HydrophobicContact CG-CD2 3.75Å; E115-F119 HydrophobicContact CG-CE2 3.54Å; E115-F119 WeakPolarHBondContact O-CD2 3.34Å; E115-F119 PolarHBondContact O-N 3.01Å; E115-R178 IonicContact OE1-CZ 2.73Å; E115-R178 IonicContact OE1-NH2 2.99Å; E115-R178 PolarHBondContact OE1-NH2 2.91Å; E115-R178 IonicContact OE2-CZ 3.48Å; E115-R178 IonicContact OE2-NE 3.13Å; E115-R178 PolarHBondContact OE2-NE 3.04Å; E115-R178 IonicContact OE2-NH2 3.46Å; E115-R178 PolarHBondContact OE2-NH2 3.34Å; E115-F188 VanDerWaalsContact CA-CE1 3.46Å; E115-F188 HydrophobicContact CB-CD1 4.2Å; E115-F188 HydrophobicContact CB-CE1 3.81Å; E115-F188 HydrophobicContact CB-CZ 4.11Å; E115-F188 HydrophobicContact CG-CD1 4.15Å; E115-F188 HydrophobicContact CG-CE1 4.11Å |
| 116 | N | 88.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 173.2 | -84.2 | -65.4 | 0 | 0 | 0 | 112.1 | S112 F113 Y118 F119 V120 I170 F171 T174 F175 | S112-N116 WeakPolarHBondContact O-CB 3.26Å; S112-N116 PolarHBondContact O-N 3.02Å; S112-N116 PolarHBondContact O-ND2 2.99Å; F113-N116 WeakPolarHBondContact O-CB 3.35Å; F113-N116 PolarHBondContact O-N 3.48Å; N116-Y118 VanDerWaalsContact C-N 3.26Å; N116-Y118 PolarHBondContact O-N 2.76Å; N116-F119 PolarHBondContact O-N 3.29Å; N116-V120 VanDerWaalsContact O-CB 3.24Å; N116-V120 WeakPolarHBondContact O-CB 3.28Å; N116-V120 VanDerWaalsContact O-CG2 3.26Å; N116-V120 WeakPolarHBondContact O-CG2 3.33Å; N116-V120 PolarHBondContact O-N 3.09Å; N116-I170 WeakPolarHBondContact OD1-CG2 3.46Å; N116-I170 PolarHBondContact OD1-O 3.32Å; N116-F171 HydrophobicContact CB-CD2 4.04Å; N116-F171 HydrophobicContact CB-CE1 4.26Å; N116-F171 HydrophobicContact CB-CE2 3.7Å; N116-F171 HydrophobicContact CB-CG 4.45Å; N116-F171 HydrophobicContact CB-CZ 3.83Å; N116-F171 VanDerWaalsContact OD1-CA 3.3Å; N116-F171 WeakPolarHBondContact OD1-CA 3.28Å; N116-F171 PolarHBondContact OD1-N 2.89Å; N116-T174 PolarHBondContact ND2-OG1 3.42Å; N116-T174 WeakPolarHBondContact OD1-CB 3.31Å; N116-T174 WeakPolarHBondContact OD1-CG2 3.3Å; N116-T174 PolarHBondContact OD1-OG1 3.22Å; N116-F175 WeakPolarHBondContact ND2-CE2 3.28Å |
| 117 | L | 92.9 | Very high | 91 | Very high | 19 Ų | 19 | 25.2 Ų | 25.2 | 10% | 0.099 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 178 | -67 | -171.6 | 0 | 0 | 0 | 111.4 | L87 P91 F113 L114 V120 G121 | L87-L117 HydrophobicContact CD2-CD2 4.23Å; L87-L117 CarbonylContact O-C 3.56Å; P91-L117 HydrophobicContact CG-CB 3.77Å; F113-L117 HydrophobicContact CD1-CD1 4.14Å; F113-L117 HydrophobicContact CD1-CG 4.41Å; F113-L117 HydrophobicContact CE1-CD1 3.52Å; F113-L117 HydrophobicContact CE1-CG 4.04Å; F113-L117 HydrophobicContact CE2-CD2 4.3Å; F113-L117 HydrophobicContact CE2-CG 4.48Å; F113-L117 HydrophobicContact CZ-CD1 3.86Å; F113-L117 HydrophobicContact CZ-CD2 4.04Å; F113-L117 HydrophobicContact CZ-CG 4.08Å; F113-L117 WeakPolarHBondContact O-CG 3.33Å; F113-L117 PolarHBondContact O-N 3.26Å; L114-L117 PolarHBondContact O-N 2.77Å; L117-V120 PolarHBondContact O-N 3.01Å; L117-G121 PolarHBondContact O-N 2.89Å |
| 118 | Y | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.5 | -53.4 | 176 | 177.2 | -104.9 | 0 | 0 | 0 | 111.3 | L88 L92 K95 L114 E115 N116 G121 T122 F188 M290 N294 | L88-Y118 HydrophobicContact CD1-CE2 4.39Å; L88-Y118 HydrophobicContact CD2-CD2 4.48Å; L88-Y118 HydrophobicContact CD2-CE2 4.17Å; L88-Y118 HydrophobicContact CG-CD2 3.98Å; L88-Y118 HydrophobicContact CG-CE2 3.93Å; L92-Y118 HydrophobicContact CD2-CD2 4.23Å; L92-Y118 HydrophobicContact CD2-CE2 3.93Å; K95-Y118 PolarHBondContact NZ-OH 3.46Å; L114-Y118 PolarHBondContact O-N 3.36Å; E115-Y118 WeakPolarHBondContact O-CB 3.44Å; E115-Y118 PolarHBondContact O-N 3.3Å; N116-Y118 VanDerWaalsContact C-N 3.26Å; N116-Y118 PolarHBondContact O-N 2.76Å; Y118-G121 PolarHBondContact O-N 3.17Å; Y118-T122 PolarHBondContact O-N 3.2Å; Y118-T122 PolarHBondContact O-OG1 2.9Å; Y118-F188 HydrophobicContact CD1-CE1 4.44Å; Y118-F188 HydrophobicContact CG-CE1 4.29Å; Y118-M290 HydrophobicContact CE1-CE 4.09Å; Y118-M290 HydrophobicContact CE1-SD 4.38Å; Y118-N294 WeakPolarHBondContact CE2-ND2 3.2Å; Y118-N294 PolarHBondContact OH-ND2 3.46Å; Y118-N294 VanDerWaalsContact OH-ND2 3.16Å; Y118-N294 PolarHBondContact OH-OD1 3.41Å |
| 119 | F | 91.8 | Very high | 92.3 | Very high | 20 Ų | 20 | 20.2 Ų | 20.2 | 9% | 0.088 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.4 | -35.9 | -179.6 | -75.1 | -62.6 | 0 | 0 | 0 | 113.8 | E115 N116 G121 T122 Y123 I170 F191 M290 | E115-F119 HydrophobicContact CG-CD2 3.75Å; E115-F119 HydrophobicContact CG-CE2 3.54Å; E115-F119 WeakPolarHBondContact O-CD2 3.34Å; E115-F119 PolarHBondContact O-N 3.01Å; N116-F119 PolarHBondContact O-N 3.29Å; F119-G121 VanDerWaalsContact C-N 3.32Å; F119-T122 PolarHBondContact O-N 3.44Å; F119-Y123 HydrophobicContact CB-CD2 4.33Å; F119-Y123 HydrophobicContact CB-CE2 4.43Å; F119-Y123 HydrophobicContact CD1-CD2 4.47Å; F119-Y123 AromaticContact CD1-CE2 3.83Å; F119-Y123 HydrophobicContact CD1-CE2 3.83Å; F119-Y123 VanDerWaalsContact O-CD2 3.24Å; F119-Y123 WeakPolarHBondContact O-CD2 3.49Å; F119-Y123 PolarHBondContact O-N 3.27Å; F119-I170 HydrophobicContact CB-CD1 4.38Å; F119-I170 HydrophobicContact CB-CG2 3.74Å; F119-F191 HydrophobicContact CE2-CE1 4.3Å; F119-F191 AromaticContact CE2-CZ 3.67Å; F119-F191 HydrophobicContact CE2-CZ 3.67Å; F119-F191 HydrophobicContact CZ-CE2 4.33Å; F119-F191 AromaticContact CZ-CZ 3.57Å; F119-F191 HydrophobicContact CZ-CZ 3.57Å; F119-M290 HydrophobicContact CE1-CE 3.56Å; F119-M290 HydrophobicContact CZ-CE 3.86Å |
| 120 | V | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 172.3 | 160.5 | 0 | 0 | 0 | 0 | 110.1 | M84 L87 N116 L117 G124 V166 F167 I170 F171 | M84-V120 HydrophobicContact SD-CG1 4.37Å; L87-V120 HydrophobicContact CD1-CG1 4.04Å; N116-V120 VanDerWaalsContact O-CB 3.24Å; N116-V120 WeakPolarHBondContact O-CB 3.28Å; N116-V120 VanDerWaalsContact O-CG2 3.26Å; N116-V120 WeakPolarHBondContact O-CG2 3.33Å; N116-V120 PolarHBondContact O-N 3.09Å; L117-V120 PolarHBondContact O-N 3.01Å; V120-G124 WeakPolarHBondContact O-CA 3.26Å; V120-G124 PolarHBondContact O-N 3.47Å; V120-V166 HydrophobicContact CG1-CG2 3.95Å; V120-F167 HydrophobicContact CG1-CD2 3.81Å; V120-F167 HydrophobicContact CG1-CE1 4.38Å; V120-F167 HydrophobicContact CG1-CE2 3.42Å; V120-F167 VanDerWaalsContact CG1-CE2 3.42Å; V120-F167 HydrophobicContact CG1-CG 4.45Å; V120-F167 HydrophobicContact CG1-CZ 3.75Å; V120-F167 HydrophobicContact CG2-CD1 4.39Å; V120-F167 HydrophobicContact CG2-CD2 4.49Å; V120-F167 HydrophobicContact CG2-CG 4.37Å; V120-I170 HydrophobicContact CG2-CB 3.97Å; V120-I170 HydrophobicContact CG2-CG1 4.37Å; V120-I170 HydrophobicContact CG2-CG2 4.06Å; V120-F171 HydrophobicContact CG2-CD2 4.27Å; V120-F171 HydrophobicContact CG2-CE2 4.09Å |
| 121 | G | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M84 L117 Y118 F119 G125 | M84-G121 VanDerWaalsContact O-CA 3.26Å; M84-G121 WeakPolarHBondContact O-CA 3.23Å; L117-G121 PolarHBondContact O-N 2.89Å; Y118-G121 PolarHBondContact O-N 3.17Å; F119-G121 VanDerWaalsContact C-N 3.32Å; G121-G125 PolarHBondContact O-N 2.92Å |
| 122 | T | 95.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 15.9 Ų | 15.9 | 8% | 0.08 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60 | -57.7 | 178.8 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | L88 Y118 F119 G125 I126 F255 | L88-T122 VanDerWaalsContact CD1-OG1 3.31Å; L88-T122 WeakPolarHBondContact CD1-OG1 3.49Å; Y118-T122 PolarHBondContact O-N 3.2Å; Y118-T122 PolarHBondContact O-OG1 2.9Å; F119-T122 PolarHBondContact O-N 3.44Å; T122-G125 PolarHBondContact O-N 3.44Å; T122-I126 HydrophobicContact CG2-CD1 4.48Å; T122-I126 WeakPolarHBondContact O-CG1 3.35Å; T122-I126 PolarHBondContact O-N 2.97Å; T122-I126 VanDerWaalsContact O-N 3.11Å; T122-F255 HydrophobicContact CG2-CE1 3.87Å; T122-F255 HydrophobicContact CG2-CZ 4.49Å |
| 123 | Y | 96.4 | Very high | 94.3 | Very high | 19 Ų | 19 | 16.1 Ų | 16.1 | 8% | 0.075 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -74.8 | -33.8 | -176.2 | -67.4 | -64.7 | 0 | 0 | 0 | 112 | F119 G125 I126 Y127 I170 L204 H259 | F119-Y123 HydrophobicContact CB-CD2 4.33Å; F119-Y123 HydrophobicContact CB-CE2 4.43Å; F119-Y123 HydrophobicContact CD1-CD2 4.47Å; F119-Y123 AromaticContact CD1-CE2 3.83Å; F119-Y123 HydrophobicContact CD1-CE2 3.83Å; F119-Y123 VanDerWaalsContact O-CD2 3.24Å; F119-Y123 WeakPolarHBondContact O-CD2 3.49Å; F119-Y123 PolarHBondContact O-N 3.27Å; Y123-G125 VanDerWaalsContact C-N 3.32Å; Y123-G125 PolarHBondContact O-N 3.11Å; Y123-I126 HydrophobicContact CD1-CD1 3.93Å; Y123-I126 HydrophobicContact CE1-CD1 4.29Å; Y123-I126 PolarHBondContact O-N 3.47Å; Y123-Y127 WeakPolarHBondContact O-CD2 3.27Å; Y123-Y127 PolarHBondContact O-N 3.12Å; Y123-I170 HydrophobicContact CD2-CD1 3.8Å; Y123-I170 HydrophobicContact CE2-CD1 4.21Å; Y123-L204 WeakPolarHBondContact OH-CD1 3.21Å; Y123-L204 WeakPolarHBondContact OH-CG 3.23Å; Y123-H259 AromaticContact CE1-CE1 3.98Å |
| 124 | G | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.9 | -46.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V120 Y127 M128 | V120-G124 WeakPolarHBondContact O-CA 3.26Å; V120-G124 PolarHBondContact O-N 3.47Å; G124-Y127 PolarHBondContact O-N 2.86Å; G124-M128 WeakPolarHBondContact O-CB 3.41Å; G124-M128 WeakPolarHBondContact O-CG 2.89Å; G124-M128 PolarHBondContact O-N 2.83Å |
| 125 | G | 96.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 5% | 0.052 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L81 G121 T122 Y123 Y127 M128 I129 | L81-G125 VanDerWaalsContact CD1-CA 3.49Å; G121-G125 PolarHBondContact O-N 2.92Å; T122-G125 PolarHBondContact O-N 3.44Å; Y123-G125 VanDerWaalsContact C-N 3.32Å; Y123-G125 PolarHBondContact O-N 3.11Å; G125-Y127 PolarHBondContact O-N 3.26Å; G125-M128 PolarHBondContact O-N 2.95Å; G125-I129 VanDerWaalsContact O-CG1 3.31Å; G125-I129 WeakPolarHBondContact O-CG1 3.28Å; G125-I129 PolarHBondContact O-N 3.35Å |
| 126 | I | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.6 | -49.3 | 176 | -69.2 | 169.9 | 0 | 0 | 0 | 111.7 | T122 Y123 I129 M130 G208 P212 F251 F255 | T122-I126 HydrophobicContact CG2-CD1 4.48Å; T122-I126 WeakPolarHBondContact O-CG1 3.35Å; T122-I126 PolarHBondContact O-N 2.97Å; T122-I126 VanDerWaalsContact O-N 3.11Å; Y123-I126 HydrophobicContact CD1-CD1 3.93Å; Y123-I126 HydrophobicContact CE1-CD1 4.29Å; Y123-I126 PolarHBondContact O-N 3.47Å; I126-I129 PolarHBondContact O-N 3.42Å; I126-M130 PolarHBondContact O-N 3.36Å; I126-G208 WeakPolarHBondContact CD1-O 3.37Å; I126-P212 HydrophobicContact CG2-CB 3.54Å; I126-P212 HydrophobicContact CG2-CG 3.87Å; I126-F251 HydrophobicContact CB-CE2 4.15Å; I126-F251 HydrophobicContact CG1-CE2 3.94Å; I126-F251 HydrophobicContact CG2-CE2 3.85Å; I126-F251 HydrophobicContact CG2-CZ 3.96Å; I126-F255 HydrophobicContact CD1-CD1 3.92Å; I126-F255 HydrophobicContact CD1-CE1 3.77Å; I126-F255 HydrophobicContact CD1-CE2 4.4Å; I126-F255 HydrophobicContact CD1-CG 4.35Å; I126-F255 HydrophobicContact CD1-CZ 4.03Å; I126-F255 HydrophobicContact CG1-CD1 4.35Å; I126-F255 HydrophobicContact CG1-CD2 4.2Å; I126-F255 HydrophobicContact CG1-CE1 3.96Å; I126-F255 HydrophobicContact CG1-CE2 3.78Å; I126-F255 HydrophobicContact CG1-CG 4.48Å; I126-F255 HydrophobicContact CG1-CZ 3.67Å |
| 127 | Y | 98.2 | Very high | 95.4 | Very high | 39 Ų | 39 | 20.4 Ų | 20.4 | 15% | 0.153 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68 | -36.2 | 179.2 | -80.4 | -69 | 0 | 0 | 0 | 112.8 | Y123 G124 G125 M130 C131 I162 V166 F207 P212 | Y123-Y127 WeakPolarHBondContact O-CD2 3.27Å; Y123-Y127 PolarHBondContact O-N 3.12Å; G124-Y127 PolarHBondContact O-N 2.86Å; G125-Y127 PolarHBondContact O-N 3.26Å; Y127-M130 HydrophobicContact CD1-CE 3.84Å; Y127-M130 HydrophobicContact CD1-SD 4.3Å; Y127-M130 PolarHBondContact O-N 2.97Å; Y127-C131 WeakPolarHBondContact O-CB 3.2Å; Y127-C131 PolarHBondContact O-N 3.45Å; Y127-C131 PolarHBondContact O-SG 2.88Å; Y127-I162 HydrophobicContact CG-CG2 4.46Å; Y127-V166 HydrophobicContact CD2-CG1 3.87Å; Y127-V166 HydrophobicContact CE2-CG1 4.33Å; Y127-F207 PolarHBondContact OH-O 2.88Å; Y127-P212 HydrophobicContact CD1-CG 4.35Å; Y127-P212 HydrophobicContact CE1-CG 3.95Å |
| 128 | M | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 175 | -70.9 | -66.2 | 169.9 | 0 | 0 | 111.2 | S80 L81 M84 G124 G125 M130 C131 I132 C159 I162 | S80-M128 WeakPolarHBondContact OG-CE 3.38Å; S80-M128 PolarHBondContact OG-SD 3.31Å; S80-M128 VanDerWaalsContact OG-SD 3.35Å; L81-M128 HydrophobicContact CB-CB 4.12Å; L81-M128 HydrophobicContact CD1-CB 3.81Å; L81-M128 HydrophobicContact CG-CB 4.49Å; M84-M128 HydrophobicContact CE-CE 3.94Å; M84-M128 HydrophobicContact CG-CG 4.23Å; G124-M128 WeakPolarHBondContact O-CB 3.41Å; G124-M128 WeakPolarHBondContact O-CG 2.89Å; G124-M128 PolarHBondContact O-N 2.83Å; G125-M128 PolarHBondContact O-N 2.95Å; M128-M130 VanDerWaalsContact C-N 3.34Å; M128-M130 PolarHBondContact O-N 3.37Å; M128-C131 PolarHBondContact O-N 3.32Å; M128-I132 VanDerWaalsContact O-CG1 3.28Å; M128-I132 WeakPolarHBondContact O-CG1 3.3Å; M128-I132 PolarHBondContact O-N 2.86Å; M128-C159 HydrophobicContact CE-CB 4.24Å; M128-I162 HydrophobicContact CE-CB 3.8Å; M128-I162 HydrophobicContact CE-CD1 4Å; M128-I162 HydrophobicContact CE-CG2 3.75Å; M128-I162 HydrophobicContact SD-CD1 3.81Å |
| 129 | I | 95.9 | Very high | 95.3 | Very high | 21 Ų | 21 | 22.2 Ų | 22.2 | 11% | 0.108 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 175.6 | -66.1 | 166.4 | 0 | 0 | 0 | 110.4 | L81 G125 I126 C131 I132 G133 L216 F251 | L81-I129 HydrophobicContact CD1-CG1 4.26Å; L81-I129 HydrophobicContact CD2-CG1 3.91Å; G125-I129 VanDerWaalsContact O-CG1 3.31Å; G125-I129 WeakPolarHBondContact O-CG1 3.28Å; G125-I129 PolarHBondContact O-N 3.35Å; I126-I129 PolarHBondContact O-N 3.42Å; I129-C131 PolarHBondContact O-N 2.92Å; I129-I132 PolarHBondContact O-N 3.45Å; I129-G133 PolarHBondContact O-N 2.85Å; I129-L216 HydrophobicContact CG2-CD1 4.42Å; I129-L216 HydrophobicContact CG2-CD2 3.81Å; I129-F251 HydrophobicContact CB-CD2 4.38Å; I129-F251 HydrophobicContact CD1-CD2 3.93Å; I129-F251 HydrophobicContact CG2-CD2 3.97Å; I129-F251 HydrophobicContact CG2-CG 4.43Å |
| 130 | M | 97.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 23.6 Ų | 23.6 | 16% | 0.158 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 174.7 | -179.4 | -158.3 | 71 | 0 | 0 | 111.3 | I126 Y127 M128 I132 G133 V134 P212 T215 | I126-M130 PolarHBondContact O-N 3.36Å; Y127-M130 HydrophobicContact CD1-CE 3.84Å; Y127-M130 HydrophobicContact CD1-SD 4.3Å; Y127-M130 PolarHBondContact O-N 2.97Å; M128-M130 VanDerWaalsContact C-N 3.34Å; M128-M130 PolarHBondContact O-N 3.37Å; M130-I132 PolarHBondContact O-N 2.74Å; M130-G133 WeakPolarHBondContact O-CA 3.5Å; M130-G133 PolarHBondContact O-N 2.88Å; M130-G133 VanDerWaalsContact O-N 3.11Å; M130-V134 WeakPolarHBondContact O-CG2 3.39Å; M130-V134 PolarHBondContact O-N 3.31Å; M130-P212 HydrophobicContact CB-CB 4.32Å; M130-P212 HydrophobicContact CG-CB 4.43Å; M130-P212 HydrophobicContact SD-CB 4.09Å; M130-T215 HydrophobicContact CG-CG2 3.81Å; M130-T215 HydrophobicContact SD-CG2 4.13Å |
| 131 | C | 97.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 11% | 0.108 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.1 | -36 | 179.4 | -77.6 | 0 | 0 | 0 | 0 | 113.2 | Y77 Y127 M128 I129 G133 V134 D135 T158 I162 | Y77-C131 HydrophobicContact CD1-CB 4.4Å; Y77-C131 HydrophobicContact CE1-CB 4.04Å; Y127-C131 WeakPolarHBondContact O-CB 3.2Å; Y127-C131 PolarHBondContact O-N 3.45Å; Y127-C131 PolarHBondContact O-SG 2.88Å; M128-C131 PolarHBondContact O-N 3.32Å; I129-C131 PolarHBondContact O-N 2.92Å; C131-G133 VanDerWaalsContact C-N 3.31Å; C131-V134 PolarHBondContact O-N 3.48Å; C131-D135 WeakPolarHBondContact O-CB 3.34Å; C131-D135 PolarHBondContact O-N 3.28Å; C131-T158 HydrophobicContact CB-CG2 4.48Å; C131-I162 HydrophobicContact CB-CD1 4.11Å; C131-I162 VanDerWaalsContact SG-CD1 3.51Å |
| 132 | I | 94.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 27.7 Ų | 27.7 | 19% | 0.185 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 171 | -68.6 | 165.7 | 0 | 0 | 0 | 110.3 | Y77 L81 M128 I129 M130 D135 R136 | Y77-I132 HydrophobicContact CG-CG1 4.21Å; L81-I132 HydrophobicContact CD2-CD1 4.28Å; M128-I132 VanDerWaalsContact O-CG1 3.28Å; M128-I132 WeakPolarHBondContact O-CG1 3.3Å; M128-I132 PolarHBondContact O-N 2.86Å; I129-I132 PolarHBondContact O-N 3.45Å; M130-I132 PolarHBondContact O-N 2.74Å; I132-D135 PolarHBondContact O-N 3.33Å; I132-R136 WeakPolarHBondContact O-CB 3.28Å; I132-R136 PolarHBondContact O-N 2.93Å |
| 133 | G | 94.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | I129 M130 C131 R136 W137 | I129-G133 PolarHBondContact O-N 2.85Å; M130-G133 WeakPolarHBondContact O-CA 3.5Å; M130-G133 PolarHBondContact O-N 2.88Å; M130-G133 VanDerWaalsContact O-N 3.11Å; C131-G133 VanDerWaalsContact C-N 3.31Å; G133-R136 PolarHBondContact O-N 3.48Å; G133-W137 WeakPolarHBondContact O-CB 3.44Å; G133-W137 PolarHBondContact O-N 2.93Å |
| 134 | V | 96.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.9 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | M130 C131 R136 W137 L138 T215 | M130-V134 WeakPolarHBondContact O-CG2 3.39Å; M130-V134 PolarHBondContact O-N 3.31Å; C131-V134 PolarHBondContact O-N 3.48Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.46Å; V134-W137 HydrophobicContact CG1-CE3 4.26Å; V134-W137 PolarHBondContact O-N 3.32Å; V134-L138 HydrophobicContact CG1-CD1 4.17Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 3.5Å; V134-T215 HydrophobicContact CG2-CG2 3.64Å |
| 135 | D | 93.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 177 | -179 | 72.6 | 0 | 0 | 0 | 111 | Y77 C131 I132 L138 A139 R150 | Y77-D135 HydrophobicContact CD2-CB 4.44Å; Y77-D135 HydrophobicContact CE2-CB 3.96Å; C131-D135 WeakPolarHBondContact O-CB 3.34Å; C131-D135 PolarHBondContact O-N 3.28Å; I132-D135 PolarHBondContact O-N 3.33Å; D135-L138 PolarHBondContact O-N 3.5Å; D135-A139 WeakPolarHBondContact O-CB 3.19Å; D135-A139 PolarHBondContact O-N 3.49Å; D135-R150 IonicContact OD1-CZ 2.85Å; D135-R150 IonicContact OD1-NE 2.67Å; D135-R150 PolarHBondContact OD1-NE 3.01Å; D135-R150 IonicContact OD1-NH2 2.78Å; D135-R150 IonicContact OD2-CZ 3.59Å; D135-R150 IonicContact OD2-NE 2.78Å; D135-R150 PolarHBondContact OD2-NE 3.46Å; D135-R150 IonicContact OD2-NH2 3.53Å; D135-R150 PolarHBondContact OD2-NH2 3.43Å |
| 136 | R | 91.9 | Very high | 93.5 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 175.8 | -176.9 | 177.6 | -63.6 | -89.9 | -1.4 | 112.1 | I132 G133 V134 A139 I140 | I132-R136 WeakPolarHBondContact O-CB 3.28Å; I132-R136 PolarHBondContact O-N 2.93Å; G133-R136 PolarHBondContact O-N 3.48Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.46Å; R136-A139 WeakPolarHBondContact O-CB 3.41Å; R136-A139 PolarHBondContact O-N 3.4Å; R136-I140 HydrophobicContact CG-CD1 3.8Å; R136-I140 WeakPolarHBondContact O-CG1 3.43Å; R136-I140 PolarHBondContact O-N 2.84Å; R136-I140 VanDerWaalsContact O-N 3.07Å |
| 137 | W | 94.6 | Very high | 93 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 21% | 0.212 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 175.6 | 165.3 | 72.9 | 0 | 0 | 0 | 112.1 | G133 V134 A139 I140 C141 H142 C219 V223 | G133-W137 WeakPolarHBondContact O-CB 3.44Å; G133-W137 PolarHBondContact O-N 2.93Å; V134-W137 HydrophobicContact CG1-CE3 4.26Å; V134-W137 PolarHBondContact O-N 3.32Å; W137-A139 VanDerWaalsContact C-N 3.31Å; W137-A139 PolarHBondContact O-N 3.14Å; W137-I140 PolarHBondContact O-N 3.08Å; W137-C141 VanDerWaalsContact CD1-SG 3.6Å; W137-C141 WeakPolarHBondContact O-CB 3.3Å; W137-C141 PolarHBondContact O-N 2.91Å; W137-H142 AromaticContact CE2-CD2 3.76Å; W137-H142 AromaticContact CE2-NE2 3.75Å; W137-H142 AromaticContact CH2-CD2 3.91Å; W137-H142 AromaticContact CH2-NE2 4Å; W137-H142 AromaticContact CZ2-CD2 3.46Å; W137-H142 VanDerWaalsContact CZ2-CD2 3.46Å; W137-H142 WeakPolarHBondContact CZ2-CD2 3.44Å; W137-H142 AromaticContact CZ2-NE2 3.26Å; W137-H142 VanDerWaalsContact CZ2-NE2 3.26Å; W137-H142 WeakPolarHBondContact CZ2-NE2 3.28Å; W137-C219 HydrophobicContact CB-CB 3.78Å; W137-C219 HydrophobicContact CG-CB 4.15Å; W137-V223 VanDerWaalsContact CA-CG2 3.49Å; W137-V223 HydrophobicContact CB-CG2 3.92Å |
| 138 | L | 94 | Very high | 92.6 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 174.8 | -74.8 | 172.9 | 0 | 0 | 0 | 111.4 | V134 D135 I140 H142 | V134-L138 HydrophobicContact CG1-CD1 4.17Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CG 3.44Å; V134-L138 PolarHBondContact O-N 3.5Å; D135-L138 PolarHBondContact O-N 3.5Å; L138-I140 PolarHBondContact O-N 3.4Å; L138-H142 CarbonylContact O-C 3.18Å; L138-H142 WeakPolarHBondContact O-CA 2.97Å; L138-H142 PolarHBondContact O-N 2.96Å; L138-H142 VanDerWaalsContact O-N 3.14Å |
| 139 | A | 89.9 | Confident | 92.2 | Very high | 28 Ų | 28 | 64 Ų | 64 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D135 R136 W137 | D135-A139 WeakPolarHBondContact O-CB 3.19Å; D135-A139 PolarHBondContact O-N 3.49Å; R136-A139 WeakPolarHBondContact O-CB 3.41Å; R136-A139 PolarHBondContact O-N 3.4Å; W137-A139 VanDerWaalsContact C-N 3.31Å; W137-A139 PolarHBondContact O-N 3.14Å |
| 140 | I | 89.3 | Confident | 92 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -93.8 | -48.7 | -171.5 | -64.3 | 171.2 | 0 | 0 | 0 | 111.4 | R136 W137 L138 V223 T226 L227 | R136-I140 HydrophobicContact CG-CD1 3.8Å; R136-I140 WeakPolarHBondContact O-CG1 3.43Å; R136-I140 PolarHBondContact O-N 2.84Å; R136-I140 VanDerWaalsContact O-N 3.07Å; W137-I140 PolarHBondContact O-N 3.08Å; L138-I140 PolarHBondContact O-N 3.4Å; I140-V223 HydrophobicContact CB-CG1 4.43Å; I140-V223 HydrophobicContact CD1-CG1 3.57Å; I140-V223 HydrophobicContact CG2-CG1 4.26Å; I140-T226 HydrophobicContact CG2-CG2 4.33Å; I140-L227 HydrophobicContact CG2-CD2 4.29Å; I140-L227 HydrophobicContact CG2-CG 4.37Å |
| 141 | C | 92 | Very high | 91.9 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -83.6 | -21.8 | -174.1 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | W137 T226 | W137-C141 VanDerWaalsContact CD1-SG 3.6Å; W137-C141 WeakPolarHBondContact O-CB 3.3Å; W137-C141 PolarHBondContact O-N 2.91Å; C141-T226 PolarHBondContact SG-OG1 3.35Å |
| 142 | H | 91.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | trans | -136.6 | 60.1 | -174.1 | -61.3 | -48.6 | 0 | 0 | 0 | 113.6 | W137 L138 F144 K145 A146 | W137-H142 AromaticContact CE2-CD2 3.76Å; W137-H142 AromaticContact CE2-NE2 3.75Å; W137-H142 AromaticContact CH2-CD2 3.91Å; W137-H142 AromaticContact CH2-NE2 4Å; W137-H142 AromaticContact CZ2-CD2 3.46Å; W137-H142 VanDerWaalsContact CZ2-CD2 3.46Å; W137-H142 WeakPolarHBondContact CZ2-CD2 3.44Å; W137-H142 AromaticContact CZ2-NE2 3.26Å; W137-H142 VanDerWaalsContact CZ2-NE2 3.26Å; W137-H142 WeakPolarHBondContact CZ2-NE2 3.28Å; L138-H142 CarbonylContact O-C 3.18Å; L138-H142 WeakPolarHBondContact O-CA 2.97Å; L138-H142 PolarHBondContact O-N 2.96Å; L138-H142 VanDerWaalsContact O-N 3.14Å; H142-F144 VanDerWaalsContact C-N 3.3Å; H142-F144 PolarHBondContact O-N 3.34Å; H142-F144 VanDerWaalsContact O-N 3.15Å; H142-K145 HydrophobicContact CB-CB 4.11Å; H142-K145 HydrophobicContact CB-CD 4.31Å; H142-K145 HydrophobicContact CB-CG 4.42Å; H142-K145 PolarHBondContact O-N 2.88Å; H142-A146 PolarHBondContact O-N 3.13Å | ||
| 143 | P | 88.3 | Confident | 91.7 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.1 | -35 | -171.5 | 23 | -34.7 | 0 | 0 | 0 | 114.3 | A146 K147 | P143-A146 WeakPolarHBondContact O-CB 3.27Å; P143-A146 PolarHBondContact O-N 3Å; P143-K147 PolarHBondContact O-N 3.32Å; P143-K147 VanDerWaalsContact O-N 3.12Å |
| 144 | F | 90.9 | Very high | 91.7 | Very high | 180 Ų | 180 | 75.5 Ų | 75.5 | 79% | 0.789 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.2 | -40 | 176.4 | -62.1 | -67.7 | 0 | 0 | 0 | 112.7 | H142 | H142-F144 VanDerWaalsContact C-N 3.3Å; H142-F144 PolarHBondContact O-N 3.34Å; H142-F144 VanDerWaalsContact O-N 3.15Å |
| 145 | K | 89.4 | Confident | 91.7 | Very high | 117 Ų | 117 | 73.8 Ų | 73.8 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 173.9 | -65.9 | -174.6 | 178.2 | 177.1 | 0 | 110.9 | H142 K147 Q148 L149 | H142-K145 HydrophobicContact CB-CB 4.11Å; H142-K145 HydrophobicContact CB-CD 4.31Å; H142-K145 HydrophobicContact CB-CG 4.42Å; H142-K145 PolarHBondContact O-N 2.88Å; K145-K147 VanDerWaalsContact C-N 3.27Å; K145-K147 PolarHBondContact O-N 3.47Å; K145-Q148 PolarHBondContact O-N 2.86Å; K145-L149 HydrophobicContact CB-CD1 4.27Å; K145-L149 WeakPolarHBondContact O-CB 3.39Å; K145-L149 WeakPolarHBondContact O-CG 3.24Å; K145-L149 PolarHBondContact O-N 3.41Å |
| 146 | A | 88.9 | Confident | 91.9 | Very high | 10 Ų | 10 | 76.1 Ų | 76.1 | 8% | 0.083 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.8 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | H142 P143 Q148 L149 R150 | H142-A146 PolarHBondContact O-N 3.13Å; P143-A146 WeakPolarHBondContact O-CB 3.27Å; P143-A146 PolarHBondContact O-N 3Å; A146-Q148 PolarHBondContact O-N 2.86Å; A146-L149 PolarHBondContact O-N 3.32Å; A146-R150 HydrophobicContact CB-CG 4.34Å; A146-R150 WeakPolarHBondContact O-CA 3.45Å; A146-R150 WeakPolarHBondContact O-CB 3.33Å; A146-R150 PolarHBondContact O-N 3.22Å |
| 147 | K | 86.8 | Confident | 92.1 | Very high | 191 Ų | 191 | 77.6 Ų | 77.6 | 83% | 0.83 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.3 | -26.6 | 177.2 | -169.3 | 176.2 | -179.7 | -178.6 | 0 | 113.7 | P143 K145 | P143-K147 PolarHBondContact O-N 3.32Å; P143-K147 VanDerWaalsContact O-N 3.12Å; K145-K147 VanDerWaalsContact C-N 3.27Å; K145-K147 PolarHBondContact O-N 3.47Å |
| 148 | Q | 89.6 | Confident | 92.3 | Very high | 163 Ų | 163 | 77.5 Ų | 77.5 | 76% | 0.762 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -93.3 | -38.6 | -179.2 | -64.3 | 176.7 | 1 | 0 | 0 | 112.4 | K145 A146 | K145-Q148 PolarHBondContact O-N 2.86Å; A146-Q148 PolarHBondContact O-N 2.86Å |
| 149 | L | 88.9 | Confident | 92.4 | Very high | 102 Ų | 102 | 76.4 Ų | 76.4 | 53% | 0.534 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -96.4 | -26.8 | -170.7 | -62.1 | 177.2 | 0 | 0 | 0 | 113.4 | K145 A146 A154 | K145-L149 HydrophobicContact CB-CD1 4.27Å; K145-L149 WeakPolarHBondContact O-CB 3.39Å; K145-L149 WeakPolarHBondContact O-CG 3.24Å; K145-L149 PolarHBondContact O-N 3.41Å; A146-L149 PolarHBondContact O-N 3.32Å; L149-A154 WeakPolarHBondContact O-CB 3.39Å |
| 150 | R | 92.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 80.1 Ų | 80.1 | 25% | 0.249 | 40% | 0.401 | C | S | . | . | trans | -91 | 124.9 | -179.3 | -60.3 | 176.3 | 72.6 | -141.9 | 4.5 | 109.8 | E73 D135 A146 | E73-R150 HydrophobicContact CG-CB 4.43Å; D135-R150 IonicContact OD1-CZ 2.85Å; D135-R150 IonicContact OD1-NE 2.67Å; D135-R150 PolarHBondContact OD1-NE 3.01Å; D135-R150 IonicContact OD1-NH2 2.78Å; D135-R150 IonicContact OD2-CZ 3.59Å; D135-R150 IonicContact OD2-NE 2.78Å; D135-R150 PolarHBondContact OD2-NE 3.46Å; D135-R150 IonicContact OD2-NH2 3.53Å; D135-R150 PolarHBondContact OD2-NH2 3.43Å; A146-R150 HydrophobicContact CB-CG 4.34Å; A146-R150 WeakPolarHBondContact O-CA 3.45Å; A146-R150 WeakPolarHBondContact O-CB 3.33Å; A146-R150 PolarHBondContact O-N 3.22Å | ||
| 151 | S | 94.2 | Very high | 93.3 | Very high | 43 Ų | 43 | 79.7 Ų | 79.7 | 30% | 0.301 | 41% | 0.409 | S | S | . | . | trans | -157 | 158.3 | 168.3 | 65.3 | 0 | 0 | 0 | 0 | 108.7 | E73 K153 A154 A155 | E73-S151 VanDerWaalsContact OE1-CA 3.26Å; E73-S151 WeakPolarHBondContact OE1-CA 3.48Å; S151-K153 PolarHBondContact O-N 3.2Å; S151-A154 PolarHBondContact O-N 3.25Å; S151-A154 WeakPolarHBondContact OG-CB 3.41Å; S151-A154 PolarHBondContact OG-N 3.35Å; S151-A154 VanDerWaalsContact OG-N 3.09Å; S151-A155 PolarHBondContact O-N 2.94Å | ||
| 152 | P | 93.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 79.2 Ų | 79.2 | 36% | 0.357 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.7 | -37 | 174.2 | -28.5 | 37.3 | 0 | 0 | 0 | 112.4 | E73 I76 A155 V156 | E73-P152 WeakPolarHBondContact OE1-CD 3.46Å; I76-P152 HydrophobicContact CD1-CB 3.66Å; I76-P152 WeakPolarHBondContact CD1-O 3.47Å; P152-A155 PolarHBondContact O-N 3.18Å; P152-V156 WeakPolarHBondContact O-CG2 3.44Å; P152-V156 PolarHBondContact O-N 3.46Å |
| 153 | K | 94.8 | Very high | 93.8 | Very high | 169 Ų | 169 | 79.2 Ų | 79.2 | 74% | 0.735 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 175.4 | -67.6 | -177.7 | 179.7 | 178.3 | 0 | 111.8 | S151 V156 M157 | S151-K153 PolarHBondContact O-N 3.2Å; K153-V156 PolarHBondContact O-N 2.99Å; K153-M157 WeakPolarHBondContact O-CG 3.44Å; K153-M157 PolarHBondContact O-N 2.95Å |
| 154 | A | 95.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 80.1 Ų | 80.1 | 17% | 0.174 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L149 S151 V156 M157 T158 | L149-A154 WeakPolarHBondContact O-CB 3.39Å; S151-A154 PolarHBondContact O-N 3.25Å; S151-A154 WeakPolarHBondContact OG-CB 3.41Å; S151-A154 PolarHBondContact OG-N 3.35Å; S151-A154 VanDerWaalsContact OG-N 3.09Å; A154-V156 PolarHBondContact O-N 2.97Å; A154-M157 PolarHBondContact O-N 2.86Å; A154-T158 PolarHBondContact O-N 3.49Å; A154-T158 PolarHBondContact O-OG1 3.01Å |
| 155 | A | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 75.7 Ų | 75.7 | 2% | 0.017 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E73 I76 Y77 S151 P152 T158 C159 | E73-A155 HydrophobicContact CB-CB 4.11Å; E73-A155 HydrophobicContact CG-CB 4.37Å; I76-A155 HydrophobicContact CB-CB 4.13Å; I76-A155 HydrophobicContact CD1-CB 4.18Å; I76-A155 HydrophobicContact CG2-CB 3.96Å; Y77-A155 HydrophobicContact CD2-CB 4.26Å; Y77-A155 HydrophobicContact CE2-CB 3.78Å; S151-A155 PolarHBondContact O-N 2.94Å; P152-A155 PolarHBondContact O-N 3.18Å; A155-T158 PolarHBondContact O-N 3.18Å; A155-C159 WeakPolarHBondContact O-CB 3.26Å; A155-C159 PolarHBondContact O-N 3.2Å; A155-C159 PolarHBondContact O-SG 3.48Å |
| 156 | V | 96.8 | Very high | 94.7 | Very high | 63 Ų | 63 | 70.3 Ų | 70.3 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 175.3 | 171 | 0 | 0 | 0 | 0 | 111 | I76 P152 K153 A154 T158 C159 M160 | I76-V156 HydrophobicContact CD1-CG2 3.95Å; I76-V156 HydrophobicContact CG1-CG2 4.32Å; I76-V156 HydrophobicContact CG2-CG2 3.8Å; P152-V156 WeakPolarHBondContact O-CG2 3.44Å; P152-V156 PolarHBondContact O-N 3.46Å; K153-V156 PolarHBondContact O-N 2.99Å; A154-V156 PolarHBondContact O-N 2.97Å; V156-T158 PolarHBondContact O-N 3.01Å; V156-C159 PolarHBondContact O-N 3.46Å; V156-M160 HydrophobicContact CG1-CE 3.84Å; V156-M160 HydrophobicContact CG1-CG 4.39Å; V156-M160 HydrophobicContact CG1-SD 4.14Å; V156-M160 WeakPolarHBondContact O-CG 3.25Å; V156-M160 PolarHBondContact O-N 3.3Å |
| 157 | M | 97.4 | Very high | 94.9 | Very high | 122 Ų | 122 | 72.7 Ų | 72.7 | 60% | 0.601 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 177.3 | -70.5 | -170 | -57.2 | 0 | 0 | 112.2 | K153 A154 M160 G161 | K153-M157 WeakPolarHBondContact O-CG 3.44Å; K153-M157 PolarHBondContact O-N 2.95Å; A154-M157 PolarHBondContact O-N 2.86Å; M157-M160 HydrophobicContact CG-CE 4.26Å; M157-M160 PolarHBondContact O-N 2.78Å; M157-G161 PolarHBondContact O-N 2.72Å |
| 158 | T | 97.6 | Very high | 95 | Very high | 53 Ų | 53 | 67.9 Ų | 67.9 | 33% | 0.325 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | Y77 C131 A154 A155 V156 G161 I162 | Y77-T158 HydrophobicContact CE1-CG2 3.85Å; C131-T158 HydrophobicContact CB-CG2 4.48Å; A154-T158 PolarHBondContact O-N 3.49Å; A154-T158 PolarHBondContact O-OG1 3.01Å; A155-T158 PolarHBondContact O-N 3.18Å; V156-T158 PolarHBondContact O-N 3.01Å; T158-G161 PolarHBondContact O-N 3.45Å; T158-I162 HydrophobicContact CG2-CD1 4.22Å; T158-I162 WeakPolarHBondContact O-CG1 3.5Å; T158-I162 PolarHBondContact O-N 2.86Å |
| 159 | C | 98 | Very high | 95 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -53.9 | 177.1 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | Y77 M128 A155 V156 G161 I162 W163 | Y77-C159 WeakPolarHBondContact CD1-SG 2.94Å; M128-C159 HydrophobicContact CE-CB 4.24Å; A155-C159 WeakPolarHBondContact O-CB 3.26Å; A155-C159 PolarHBondContact O-N 3.2Å; A155-C159 PolarHBondContact O-SG 3.48Å; V156-C159 PolarHBondContact O-N 3.46Å; C159-G161 PolarHBondContact O-N 2.92Å; C159-I162 PolarHBondContact O-N 3.38Å; C159-W163 PolarHBondContact O-N 3.5Å |
| 160 | M | 98.1 | Very high | 94.8 | Very high | 105 Ų | 105 | 59 Ų | 59 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.1 | -39.6 | 177.9 | -69.6 | -174.4 | -55.6 | 0 | 0 | 112.3 | V156 M157 W163 V164 | V156-M160 HydrophobicContact CG1-CE 3.84Å; V156-M160 HydrophobicContact CG1-CG 4.39Å; V156-M160 HydrophobicContact CG1-SD 4.14Å; V156-M160 WeakPolarHBondContact O-CG 3.25Å; V156-M160 PolarHBondContact O-N 3.3Å; M157-M160 HydrophobicContact CG-CE 4.26Å; M157-M160 PolarHBondContact O-N 2.78Å; M160-W163 PolarHBondContact O-N 3.12Å; M160-V164 WeakPolarHBondContact O-CG2 3.1Å; M160-V164 PolarHBondContact O-N 2.55Å |
| 161 | G | 98.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M157 T158 C159 V164 L165 | M157-G161 PolarHBondContact O-N 2.72Å; T158-G161 PolarHBondContact O-N 3.45Å; C159-G161 PolarHBondContact O-N 2.92Å; G161-V164 PolarHBondContact O-N 3.33Å; G161-L165 VanDerWaalsContact O-CB 3.26Å; G161-L165 WeakPolarHBondContact O-CB 3.23Å; G161-L165 PolarHBondContact O-N 3.05Å |
| 162 | I | 98.1 | Very high | 93 | Very high | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 175.5 | -64.5 | 164.3 | 0 | 0 | 0 | 110.6 | Y127 M128 C131 T158 C159 V164 L165 V166 | Y127-I162 HydrophobicContact CG-CG2 4.46Å; M128-I162 HydrophobicContact CE-CB 3.8Å; M128-I162 HydrophobicContact CE-CD1 4Å; M128-I162 HydrophobicContact CE-CG2 3.75Å; M128-I162 HydrophobicContact SD-CD1 3.81Å; C131-I162 HydrophobicContact CB-CD1 4.11Å; C131-I162 VanDerWaalsContact SG-CD1 3.51Å; T158-I162 HydrophobicContact CG2-CD1 4.22Å; T158-I162 WeakPolarHBondContact O-CG1 3.5Å; T158-I162 PolarHBondContact O-N 2.86Å; C159-I162 PolarHBondContact O-N 3.38Å; I162-V164 PolarHBondContact O-N 2.85Å; I162-L165 WeakPolarHBondContact O-CB 3.24Å; I162-L165 PolarHBondContact O-N 2.99Å; I162-V166 HydrophobicContact CG2-CG1 4.28Å; I162-V166 WeakPolarHBondContact O-CG2 3.45Å; I162-V166 PolarHBondContact O-N 2.95Å |
| 163 | W | 97.3 | Very high | 91.5 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 24% | 0.242 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.4 | -54.6 | 176.3 | -83.5 | 75.9 | 0 | 0 | 0 | 110.5 | S80 L83 M84 L87 C159 M160 L165 V166 F167 | S80-W163 PolarHBondContact OG-NE1 3.37Å; L83-W163 HydrophobicContact CB-CH2 4.18Å; L83-W163 HydrophobicContact CB-CZ2 3.7Å; L83-W163 HydrophobicContact CD1-CZ2 4.38Å; M84-W163 HydrophobicContact CE-CB 4.4Å; M84-W163 HydrophobicContact CE-CD2 3.54Å; M84-W163 VanDerWaalsContact CE-CE2 3.41Å; M84-W163 HydrophobicContact CE-CE3 4.26Å; M84-W163 HydrophobicContact CE-CG 3.6Å; M84-W163 HydrophobicContact CE-CZ2 3.98Å; M84-W163 HydrophobicContact CG-CZ2 4.41Å; M84-W163 HydrophobicContact SD-CD2 4.46Å; M84-W163 HydrophobicContact SD-CH2 4.36Å; M84-W163 HydrophobicContact SD-CZ2 3.98Å; L87-W163 HydrophobicContact CD1-CH2 3.44Å; L87-W163 VanDerWaalsContact CD1-CH2 3.44Å; L87-W163 HydrophobicContact CD1-CZ2 4.43Å; L87-W163 HydrophobicContact CD1-CZ3 3.56Å; L87-W163 HydrophobicContact CG-CH2 4.25Å; C159-W163 PolarHBondContact O-N 3.5Å; M160-W163 PolarHBondContact O-N 3.12Å; W163-L165 VanDerWaalsContact C-N 3.3Å; W163-L165 PolarHBondContact O-N 3.23Å; W163-V166 WeakPolarHBondContact O-CG2 3.25Å; W163-V166 PolarHBondContact O-N 2.78Å; W163-F167 HydrophobicContact CD2-CE2 4.4Å; W163-F167 HydrophobicContact CE3-CD2 4.09Å; W163-F167 AromaticContact CE3-CE2 3.36Å; W163-F167 HydrophobicContact CE3-CE2 3.36Å; W163-F167 HydrophobicContact CE3-CZ 4.22Å; W163-F167 AromaticContact CZ3-CE2 3.62Å; W163-F167 HydrophobicContact CZ3-CE2 3.62Å; W163-F167 HydrophobicContact CZ3-CZ 4.09Å; W163-F167 WeakPolarHBondContact O-CB 2.92Å; W163-F167 VanDerWaalsContact O-CD2 3.24Å; W163-F167 WeakPolarHBondContact O-CD2 2.99Å; W163-F167 PolarHBondContact O-N 3.28Å |
| 164 | V | 96.9 | Very high | 90.1 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 58% | 0.582 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.1 | -43.6 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | M160 G161 I162 T168 | M160-V164 WeakPolarHBondContact O-CG2 3.1Å; M160-V164 PolarHBondContact O-N 2.55Å; G161-V164 PolarHBondContact O-N 3.33Å; I162-V164 PolarHBondContact O-N 2.85Å; V164-T168 WeakPolarHBondContact O-CB 3.36Å; V164-T168 PolarHBondContact O-N 3.02Å; V164-T168 PolarHBondContact O-OG1 3.38Å |
| 165 | L | 95.3 | Very high | 88.7 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.3 | -53.2 | 178.6 | 175.6 | 65.7 | 0 | 0 | 0 | 111.8 | G161 I162 W163 T168 A169 | G161-L165 VanDerWaalsContact O-CB 3.26Å; G161-L165 WeakPolarHBondContact O-CB 3.23Å; G161-L165 PolarHBondContact O-N 3.05Å; I162-L165 WeakPolarHBondContact O-CB 3.24Å; I162-L165 PolarHBondContact O-N 2.99Å; W163-L165 VanDerWaalsContact C-N 3.3Å; W163-L165 PolarHBondContact O-N 3.23Å; L165-T168 PolarHBondContact O-N 3.14Å; L165-A169 VanDerWaalsContact O-CB 3.26Å; L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.01Å |
| 166 | V | 94.9 | Very high | 87 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.6 | -37.7 | -175 | -61 | 0 | 0 | 0 | 0 | 112 | M84 V120 Y127 I162 W163 A169 I170 | M84-V166 HydrophobicContact CE-CG2 3.97Å; V120-V166 HydrophobicContact CG1-CG2 3.95Å; Y127-V166 HydrophobicContact CD2-CG1 3.87Å; Y127-V166 HydrophobicContact CE2-CG1 4.33Å; I162-V166 HydrophobicContact CG2-CG1 4.28Å; I162-V166 WeakPolarHBondContact O-CG2 3.45Å; I162-V166 PolarHBondContact O-N 2.95Å; W163-V166 WeakPolarHBondContact O-CG2 3.25Å; W163-V166 PolarHBondContact O-N 2.78Å; V166-A169 PolarHBondContact O-N 3.32Å; V166-I170 VanDerWaalsContact O-CB 3.28Å; V166-I170 WeakPolarHBondContact O-CB 3.33Å; V166-I170 WeakPolarHBondContact O-CG1 3.23Å; V166-I170 PolarHBondContact O-N 3.5Å |
| 167 | F | 92.4 | Very high | 85.1 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174 | -88.1 | -91.7 | 0 | 0 | 0 | 110.8 | L87 V120 W163 A169 I170 F171 | L87-F167 HydrophobicContact CD1-CE2 4.32Å; L87-F167 HydrophobicContact CD1-CZ 4.16Å; V120-F167 HydrophobicContact CG1-CD2 3.81Å; V120-F167 HydrophobicContact CG1-CE1 4.38Å; V120-F167 HydrophobicContact CG1-CE2 3.42Å; V120-F167 VanDerWaalsContact CG1-CE2 3.42Å; V120-F167 HydrophobicContact CG1-CG 4.45Å; V120-F167 HydrophobicContact CG1-CZ 3.75Å; V120-F167 HydrophobicContact CG2-CD1 4.39Å; V120-F167 HydrophobicContact CG2-CD2 4.49Å; V120-F167 HydrophobicContact CG2-CG 4.37Å; W163-F167 HydrophobicContact CD2-CE2 4.4Å; W163-F167 HydrophobicContact CE3-CD2 4.09Å; W163-F167 AromaticContact CE3-CE2 3.36Å; W163-F167 HydrophobicContact CE3-CE2 3.36Å; W163-F167 HydrophobicContact CE3-CZ 4.22Å; W163-F167 AromaticContact CZ3-CE2 3.62Å; W163-F167 HydrophobicContact CZ3-CE2 3.62Å; W163-F167 HydrophobicContact CZ3-CZ 4.09Å; W163-F167 WeakPolarHBondContact O-CB 2.92Å; W163-F167 VanDerWaalsContact O-CD2 3.24Å; W163-F167 WeakPolarHBondContact O-CD2 2.99Å; W163-F167 PolarHBondContact O-N 3.28Å; F167-A169 PolarHBondContact O-N 3.31Å; F167-I170 PolarHBondContact O-N 3.01Å; F167-F171 AromaticContact CD1-CD2 3.65Å; F167-F171 HydrophobicContact CD1-CD2 3.65Å; F167-F171 AromaticContact CD1-CE2 3.23Å; F167-F171 HydrophobicContact CD1-CE2 3.23Å; F167-F171 AromaticContact CD1-CZ 4Å; F167-F171 HydrophobicContact CD1-CZ 4Å; F167-F171 HydrophobicContact CE1-CD2 4.32Å; F167-F171 AromaticContact CE1-CE2 3.45Å; F167-F171 HydrophobicContact CE1-CE2 3.45Å; F167-F171 VanDerWaalsContact CE1-CE2 3.45Å; F167-F171 AromaticContact CE1-CZ 3.93Å; F167-F171 HydrophobicContact CE1-CZ 3.93Å; F167-F171 HydrophobicContact CG-CD2 4.44Å; F167-F171 HydrophobicContact CG-CE2 4.32Å; F167-F171 WeakPolarHBondContact O-CB 3.36Å; F167-F171 PolarHBondContact O-N 3.48Å |
| 168 | T | 90.3 | Very high | 83.5 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 56% | 0.558 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.1 | -32.7 | 179.7 | -54 | 0 | 0 | 0 | 0 | 112.4 | V164 L165 P172 | V164-T168 WeakPolarHBondContact O-CB 3.36Å; V164-T168 PolarHBondContact O-N 3.02Å; V164-T168 PolarHBondContact O-OG1 3.38Å; L165-T168 PolarHBondContact O-N 3.14Å; T168-P172 WeakPolarHBondContact O-CD 3.4Å; T168-P172 WeakPolarHBondContact O-CG 3.4Å |
| 169 | A | 87.8 | Confident | 81.7 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -74.8 | -36.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L165 V166 F167 V173 | L165-A169 VanDerWaalsContact O-CB 3.26Å; L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.01Å; V166-A169 PolarHBondContact O-N 3.32Å; F167-A169 PolarHBondContact O-N 3.31Å; A169-V173 WeakPolarHBondContact O-CG2 3.46Å |
| 170 | I | 85.4 | Confident | 79.9 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -94.5 | -44 | -169.3 | -61.3 | -62.8 | 0 | 0 | 0 | 112.6 | N116 F119 V120 Y123 V166 F167 V173 T174 | N116-I170 WeakPolarHBondContact OD1-CG2 3.46Å; N116-I170 PolarHBondContact OD1-O 3.32Å; F119-I170 HydrophobicContact CB-CD1 4.38Å; F119-I170 HydrophobicContact CB-CG2 3.74Å; V120-I170 HydrophobicContact CG2-CB 3.97Å; V120-I170 HydrophobicContact CG2-CG1 4.37Å; V120-I170 HydrophobicContact CG2-CG2 4.06Å; Y123-I170 HydrophobicContact CD2-CD1 3.8Å; Y123-I170 HydrophobicContact CE2-CD1 4.21Å; V166-I170 VanDerWaalsContact O-CB 3.28Å; V166-I170 WeakPolarHBondContact O-CB 3.33Å; V166-I170 WeakPolarHBondContact O-CG1 3.23Å; V166-I170 PolarHBondContact O-N 3.5Å; F167-I170 PolarHBondContact O-N 3.01Å; I170-V173 PolarHBondContact O-N 3.25Å; I170-T174 HydrophobicContact CG2-CG2 4.27Å; I170-T174 PolarHBondContact O-N 2.86Å; I170-T174 VanDerWaalsContact O-N 3.09Å; I170-T174 PolarHBondContact O-OG1 3.39Å; I170-T174 VanDerWaalsContact O-OG1 3.12Å |
| 171 | F | 79.4 | Confident | 78.2 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -50.6 | -176.7 | -89.7 | -108.2 | 0 | 0 | 0 | 114 | F113 N116 V120 F167 V173 T174 F175 | F113-F171 HydrophobicContact CD2-CE1 4.02Å; F113-F171 HydrophobicContact CD2-CZ 4.09Å; F113-F171 HydrophobicContact CE2-CE1 4.23Å; F113-F171 HydrophobicContact CE2-CZ 4.02Å; N116-F171 HydrophobicContact CB-CD2 4.04Å; N116-F171 HydrophobicContact CB-CE1 4.26Å; N116-F171 HydrophobicContact CB-CE2 3.7Å; N116-F171 HydrophobicContact CB-CG 4.45Å; N116-F171 HydrophobicContact CB-CZ 3.83Å; N116-F171 VanDerWaalsContact OD1-CA 3.3Å; N116-F171 WeakPolarHBondContact OD1-CA 3.28Å; N116-F171 PolarHBondContact OD1-N 2.89Å; V120-F171 HydrophobicContact CG2-CD2 4.27Å; V120-F171 HydrophobicContact CG2-CE2 4.09Å; F167-F171 AromaticContact CD1-CD2 3.65Å; F167-F171 HydrophobicContact CD1-CD2 3.65Å; F167-F171 AromaticContact CD1-CE2 3.23Å; F167-F171 HydrophobicContact CD1-CE2 3.23Å; F167-F171 AromaticContact CD1-CZ 4Å; F167-F171 HydrophobicContact CD1-CZ 4Å; F167-F171 HydrophobicContact CE1-CD2 4.32Å; F167-F171 AromaticContact CE1-CE2 3.45Å; F167-F171 HydrophobicContact CE1-CE2 3.45Å; F167-F171 VanDerWaalsContact CE1-CE2 3.45Å; F167-F171 AromaticContact CE1-CZ 3.93Å; F167-F171 HydrophobicContact CE1-CZ 3.93Å; F167-F171 HydrophobicContact CG-CD2 4.44Å; F167-F171 HydrophobicContact CG-CE2 4.32Å; F167-F171 WeakPolarHBondContact O-CB 3.36Å; F167-F171 PolarHBondContact O-N 3.48Å; F171-V173 PolarHBondContact O-N 2.92Å; F171-T174 PolarHBondContact O-OG1 3.25Å; F171-T174 VanDerWaalsContact O-OG1 3.11Å; F171-F175 HydrophobicContact CD1-CD2 4.2Å; F171-F175 AromaticContact CD1-CE2 3.74Å; F171-F175 HydrophobicContact CD1-CE2 3.74Å; F171-F175 HydrophobicContact CE1-CE2 4.13Å; F171-F175 WeakPolarHBondContact O-CB 3.31Å; F171-F175 VanDerWaalsContact O-CD2 3.3Å; F171-F175 WeakPolarHBondContact O-CD2 3.35Å; F171-F175 PolarHBondContact O-N 2.78Å |
| 172 | P | 68.6 | Low | 76.2 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -33.2 | -180 | -22.1 | 35 | 0 | 0 | 0 | 112.3 | T168 N176 | T168-P172 WeakPolarHBondContact O-CD 3.4Å; T168-P172 WeakPolarHBondContact O-CG 3.4Å; P172-N176 VanDerWaalsContact O-CB 3.31Å; P172-N176 WeakPolarHBondContact O-CB 3.42Å; P172-N176 PolarHBondContact O-N 3.27Å; P172-N176 PolarHBondContact O-ND2 3.44Å |
| 173 | V | 64 | Low | 75 | Confident | 62 Ų | 62 | 71 Ų | 71 | 38% | 0.376 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69 | -51.3 | -177 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | A169 I170 F171 L177 | A169-V173 WeakPolarHBondContact O-CG2 3.46Å; I170-V173 PolarHBondContact O-N 3.25Å; F171-V173 PolarHBondContact O-N 2.92Å; V173-L177 HydrophobicContact CB-CD1 4.42Å; V173-L177 HydrophobicContact CG1-CD1 3.42Å; V173-L177 VanDerWaalsContact CG1-CD1 3.42Å; V173-L177 WeakPolarHBondContact O-CB 3.37Å; V173-L177 VanDerWaalsContact O-CD1 3.23Å; V173-L177 WeakPolarHBondContact O-CD1 3.4Å; V173-L177 WeakPolarHBondContact O-CG 3.05Å; V173-L177 PolarHBondContact O-N 2.99Å |
| 174 | T | 63.6 | Low | 73.8 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.1 | -38.6 | -178.5 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | N116 I170 F171 R178 | N116-T174 PolarHBondContact ND2-OG1 3.42Å; N116-T174 WeakPolarHBondContact OD1-CB 3.31Å; N116-T174 WeakPolarHBondContact OD1-CG2 3.3Å; N116-T174 PolarHBondContact OD1-OG1 3.22Å; I170-T174 HydrophobicContact CG2-CG2 4.27Å; I170-T174 PolarHBondContact O-N 2.86Å; I170-T174 VanDerWaalsContact O-N 3.09Å; I170-T174 PolarHBondContact O-OG1 3.39Å; I170-T174 VanDerWaalsContact O-OG1 3.12Å; F171-T174 PolarHBondContact O-OG1 3.25Å; F171-T174 VanDerWaalsContact O-OG1 3.11Å; T174-R178 PolarHBondContact O-N 2.82Å |
| 175 | F | 66.7 | Low | 72.6 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.7 | -39.7 | -179.8 | -87.8 | -83.4 | 0 | 0 | 0 | 112.3 | F109 N116 F171 | F109-F175 AromaticContact CD2-CE1 3.73Å; F109-F175 HydrophobicContact CD2-CE1 3.73Å; F109-F175 HydrophobicContact CD2-CZ 4.06Å; F109-F175 AromaticContact CE2-CE1 3.71Å; F109-F175 HydrophobicContact CE2-CE1 3.71Å; F109-F175 AromaticContact CE2-CZ 3.71Å; F109-F175 HydrophobicContact CE2-CZ 3.71Å; F109-F175 HydrophobicContact CZ-CZ 4.41Å; N116-F175 WeakPolarHBondContact ND2-CE2 3.28Å; F171-F175 HydrophobicContact CD1-CD2 4.2Å; F171-F175 AromaticContact CD1-CE2 3.74Å; F171-F175 HydrophobicContact CD1-CE2 3.74Å; F171-F175 HydrophobicContact CE1-CE2 4.13Å; F171-F175 WeakPolarHBondContact O-CB 3.31Å; F171-F175 VanDerWaalsContact O-CD2 3.3Å; F171-F175 WeakPolarHBondContact O-CD2 3.35Å; F171-F175 PolarHBondContact O-N 2.78Å |
| 176 | N | 59.9 | Low | 71.4 | Confident | 134 Ų | 134 | 68 Ų | 68 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -81 | -23.5 | 179.3 | -71.3 | -65.7 | 0 | 0 | 0 | 113.2 | P172 | P172-N176 VanDerWaalsContact O-CB 3.31Å; P172-N176 WeakPolarHBondContact O-CB 3.42Å; P172-N176 PolarHBondContact O-N 3.27Å; P172-N176 PolarHBondContact O-ND2 3.44Å |
| 177 | L | 58 | Low | 70.4 | Confident | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -90.8 | -5.2 | -178.8 | -64.7 | 172.3 | 0 | 0 | 0 | 113.1 | V173 S192 N194 | V173-L177 HydrophobicContact CB-CD1 4.42Å; V173-L177 HydrophobicContact CG1-CD1 3.42Å; V173-L177 VanDerWaalsContact CG1-CD1 3.42Å; V173-L177 WeakPolarHBondContact O-CB 3.37Å; V173-L177 VanDerWaalsContact O-CD1 3.23Å; V173-L177 WeakPolarHBondContact O-CD1 3.4Å; V173-L177 WeakPolarHBondContact O-CG 3.05Å; V173-L177 PolarHBondContact O-N 2.99Å; L177-S192 WeakPolarHBondContact O-CB 3.45Å; L177-S192 PolarHBondContact O-OG 3.14Å; L177-N194 HydrophobicContact CD2-CB 3.29Å |
| 178 | R | 62.5 | Low | 69.4 | Low | 39 Ų | 39 | 66.4 Ų | 66.4 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 122.2 | 173.1 | -83 | 177.7 | 172.2 | -86.1 | -5.8 | 110.6 | S112 E115 T174 | S112-R178 WeakPolarHBondContact OG-CD 3.23Å; E115-R178 IonicContact OE1-CZ 2.73Å; E115-R178 IonicContact OE1-NH2 2.99Å; E115-R178 PolarHBondContact OE1-NH2 2.91Å; E115-R178 IonicContact OE2-CZ 3.48Å; E115-R178 IonicContact OE2-NE 3.13Å; E115-R178 PolarHBondContact OE2-NE 3.04Å; E115-R178 IonicContact OE2-NH2 3.46Å; E115-R178 PolarHBondContact OE2-NH2 3.34Å; T174-R178 PolarHBondContact O-N 2.82Å |
| 179 | T | 59.6 | Low | 68.1 | Low | 100 Ų | 100 | 67 Ų | 67 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 134.8 | 168.6 | 48.4 | 0 | 0 | 0 | 0 | 108.9 | V181 | T179-V181 PolarHBondContact O-N 3.38Å; T179-V181 VanDerWaalsContact O-N 3.13Å |
| 180 | V | 61.1 | Low | 66.8 | Low | 104 Ų | 104 | 71.1 Ų | 71.1 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 116.5 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 181 | V | 61.5 | Low | 65.6 | Low | 40 Ų | 40 | 74 Ų | 74 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 125.8 | 178.4 | -167.8 | 0 | 0 | 0 | 0 | 107.5 | Q105 T179 N183 F185 | Q105-V181 VanDerWaalsContact CG-O 3.31Å; Q105-V181 WeakPolarHBondContact CG-O 3.21Å; Q105-V181 PolarHBondContact NE2-O 3.27Å; Q105-V181 PolarHBondContact OE1-O 2.82Å; T179-V181 PolarHBondContact O-N 3.38Å; T179-V181 VanDerWaalsContact O-N 3.13Å; V181-N183 VanDerWaalsContact CG1-O 3.3Å; V181-N183 WeakPolarHBondContact CG1-O 3.09Å; V181-N183 PolarHBondContact O-N 2.85Å; V181-F185 HydrophobicContact CB-CB 4.25Å; V181-F185 HydrophobicContact CG1-CB 4.18Å; V181-F185 HydrophobicContact CG2-CB 4.21Å |
| 182 | K | 57.1 | Low | 64.8 | Low | 181 Ų | 181 | 72.6 Ų | 72.6 | 79% | 0.787 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -77.6 | -1.7 | -179.8 | -70.6 | -174.2 | 175.4 | -176.3 | 0 | 114.2 | Q105 | Q105-K182 PolarHBondContact OE1-O 2.96Š|
| 183 | N | 72.3 | Confident | 64.5 | Low | 123 Ų | 123 | 76.7 Ų | 76.7 | 66% | 0.658 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -137.3 | 169.9 | -175.1 | -65.7 | -19.4 | 0 | 0 | 0 | 109.6 | V181 | V181-N183 VanDerWaalsContact CG1-O 3.3Å; V181-N183 WeakPolarHBondContact CG1-O 3.09Å; V181-N183 PolarHBondContact O-N 2.85Å |
| 184 | D | 73.1 | Confident | 64.6 | Low | 102 Ų | 102 | 78.6 Ų | 78.6 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | trans | -45.6 | 137.6 | 167.5 | -74.5 | 8.4 | 0 | 0 | 0 | 112.4 | ||||
| 185 | F | 70.6 | Confident | 65.1 | Low | 7 Ų | 7 | 78.4 Ų | 78.4 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -136.3 | 155.5 | -170.7 | 71.1 | -85.6 | 0 | 0 | 0 | 112.7 | T102 W103 P104 Q108 C111 V181 C187 | T102-F185 WeakPolarHBondContact CA-O 3.45Å; W103-F185 HydrophobicContact CB-CE1 4.21Å; W103-F185 HydrophobicContact CB-CE2 4.38Å; W103-F185 HydrophobicContact CB-CZ 4Å; W103-F185 PolarHBondContact N-O 3.49Å; W103-F185 WeakPolarHBondContact O-CD1 3.08Å; W103-F185 PolarHBondContact O-N 3.09Å; W103-F185 VanDerWaalsContact O-N 3.12Å; P104-F185 WeakPolarHBondContact O-CE1 3.19Å; Q108-F185 HydrophobicContact CB-CE1 4.11Å; Q108-F185 HydrophobicContact CB-CZ 4.17Å; C111-F185 HydrophobicContact CB-CE2 3.89Å; C111-F185 HydrophobicContact CB-CZ 3.94Å; V181-F185 HydrophobicContact CB-CB 4.25Å; V181-F185 HydrophobicContact CG1-CB 4.18Å; V181-F185 HydrophobicContact CG2-CB 4.21Å; F185-C187 HydrophobicContact CE2-CB 3.97Å |
| 186 | H | 70.3 | Confident | 65.8 | Low | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.347 | 38% | 0.378 | S | S | . | . | trans | -88.1 | 112.2 | 170.5 | -70.6 | -78.5 | 0 | 0 | 0 | 110.1 | H189 | H186-H189 HydrophobicContact CB-CB 3.89Š| ||
| 187 | C | 74 | Confident | 67.1 | Low | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 152.4 | 172.9 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | A98 W103 C111 F185 H189 | A98-C187 HydrophobicContact CB-CB 3.78Å; W103-C187 HydrophobicContact CG-CB 4.47Å; C111-C187 WeakPolarHBondContact CA-SG 3.2Å; C111-C187 HydrophobicContact CB-CB 3.9Å; C111-C187 WeakPolarHBondContact CB-SG 3.28Å; C111-C187 VanDerWaalsContact SG-CA 3.51Å; C111-C187 WeakPolarHBondContact SG-CB 3.39Å; C111-C187 CovalentContact SG-SG 2.01Å; C111-C187 PolarHBondContact SG-SG 3.49Å; F185-C187 HydrophobicContact CE2-CB 3.97Å; C187-H189 PolarHBondContact O-N 3.11Å |
| 188 | F | 71.6 | Confident | 68.6 | Low | 26 Ų | 26 | 72.4 Ų | 72.4 | 11% | 0.114 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -0.3 | -177.2 | -65.8 | -89.2 | 0 | 0 | 0 | 117.5 | P91 K95 A98 L114 E115 Y118 | P91-F188 HydrophobicContact CB-CZ 4.24Å; K95-F188 HydrophobicContact CB-CD1 4.48Å; K95-F188 HydrophobicContact CB-CD2 4.04Å; K95-F188 HydrophobicContact CB-CE1 4.44Å; K95-F188 HydrophobicContact CB-CE2 4.05Å; K95-F188 HydrophobicContact CB-CG 4.28Å; K95-F188 HydrophobicContact CB-CZ 4.25Å; K95-F188 HydrophobicContact CD-CD1 4.07Å; K95-F188 HydrophobicContact CD-CE1 4.35Å; K95-F188 HydrophobicContact CD-CG 4.37Å; K95-F188 HydrophobicContact CG-CB 4.12Å; K95-F188 HydrophobicContact CG-CD1 4.01Å; K95-F188 HydrophobicContact CG-CD2 4.06Å; K95-F188 HydrophobicContact CG-CE1 4.39Å; K95-F188 HydrophobicContact CG-CE2 4.49Å; K95-F188 HydrophobicContact CG-CG 3.82Å; A98-F188 HydrophobicContact CB-CD2 4.43Å; L114-F188 HydrophobicContact CB-CE2 4.34Å; L114-F188 HydrophobicContact CB-CZ 4.04Å; E115-F188 VanDerWaalsContact CA-CE1 3.46Å; E115-F188 HydrophobicContact CB-CD1 4.2Å; E115-F188 HydrophobicContact CB-CE1 3.81Å; E115-F188 HydrophobicContact CB-CZ 4.11Å; E115-F188 HydrophobicContact CG-CD1 4.15Å; E115-F188 HydrophobicContact CG-CE1 4.11Å; Y118-F188 HydrophobicContact CD1-CE1 4.44Å; Y118-F188 HydrophobicContact CG-CE1 4.29Å |
| 189 | H | 62.2 | Low | 70 | Confident | 104 Ų | 104 | 78.9 Ų | 78.9 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -112.1 | -6 | -172.1 | -129.9 | 79.5 | 0 | 0 | 0 | 114.6 | H186 C187 | H186-H189 HydrophobicContact CB-CB 3.89Å; C187-H189 PolarHBondContact O-N 3.11Å |
| 190 | R | 61.9 | Low | 71.3 | Confident | 139 Ų | 139 | 76.2 Ų | 76.2 | 53% | 0.525 | 38% | 0.377 | S | S | . | . | trans | -135.7 | 101.6 | -177.5 | -70.6 | -171.7 | 178.3 | 179.6 | -0.2 | 111.5 | ||||
| 191 | F | 60.4 | Low | 72.8 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 39% | 0.386 | 35% | 0.349 | S | S | . | . | trans | -76.7 | 141.3 | 153.7 | -72.5 | -78.6 | 0 | 0 | 0 | 108.8 | F119 | F119-F191 HydrophobicContact CE2-CE1 4.3Å; F119-F191 AromaticContact CE2-CZ 3.67Å; F119-F191 HydrophobicContact CE2-CZ 3.67Å; F119-F191 HydrophobicContact CZ-CE2 4.33Å; F119-F191 AromaticContact CZ-CZ 3.57Å; F119-F191 HydrophobicContact CZ-CZ 3.57Å | ||
| 192 | S | 61.4 | Low | 74.3 | Confident | 16 Ų | 16 | 74 Ų | 74 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | trans | -65.1 | 163.9 | 170.3 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | L177 N194 G195 | L177-S192 WeakPolarHBondContact O-CB 3.45Å; L177-S192 PolarHBondContact O-OG 3.14Å; S192-N194 PolarHBondContact O-N 3.18Å; S192-N194 VanDerWaalsContact O-N 3.1Å; S192-N194 PolarHBondContact OG-N 3.09Å; S192-G195 PolarHBondContact O-N 3.13Å; S192-G195 PolarHBondContact OG-N 3.3Å | ||
| 193 | E | 63.3 | Low | 76 | Confident | 146 Ų | 146 | 68.5 Ų | 68.5 | 68% | 0.682 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -53.1 | -31.6 | 171.8 | -64.8 | -171.5 | 159.5 | 0 | 0 | 112.2 | G195 W196 | E193-G195 VanDerWaalsContact C-N 3.32Å; E193-G195 PolarHBondContact O-N 3.12Å; E193-W196 PolarHBondContact O-N 3.11Å |
| 194 | N | 66.8 | Low | 77 | Confident | 103 Ų | 103 | 64.8 Ų | 64.8 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -69.4 | -28 | 177.3 | -64.6 | -25.6 | 0 | 0 | 0 | 112.8 | L177 S192 W196 S197 | L177-N194 HydrophobicContact CD2-CB 3.29Å; S192-N194 PolarHBondContact O-N 3.18Å; S192-N194 VanDerWaalsContact O-N 3.1Å; S192-N194 PolarHBondContact OG-N 3.09Å; N194-W196 VanDerWaalsContact C-N 3.26Å; N194-W196 PolarHBondContact O-N 3.45Å; N194-S197 VanDerWaalsContact O-CB 3.23Å; N194-S197 WeakPolarHBondContact O-CB 3.34Å; N194-S197 PolarHBondContact O-N 3.19Å; N194-S197 PolarHBondContact O-OG 2.9Å |
| 195 | G | 72.8 | Confident | 78.1 | Confident | 7 Ų | 7 | 61 Ų | 61 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -68.5 | -24.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S192 E193 S197 | S192-G195 PolarHBondContact O-N 3.13Å; S192-G195 PolarHBondContact OG-N 3.3Å; E193-G195 VanDerWaalsContact C-N 3.32Å; E193-G195 PolarHBondContact O-N 3.12Å; G195-S197 VanDerWaalsContact C-N 3.32Å |
| 196 | W | 82.4 | Confident | 79.4 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -93.8 | 13.1 | 173.5 | -67.2 | 101 | 0 | 0 | 0 | 113.3 | E193 N194 I201 I262 Q265 F266 H269 Q270 L286 | E193-W196 PolarHBondContact O-N 3.11Å; N194-W196 VanDerWaalsContact C-N 3.26Å; N194-W196 PolarHBondContact O-N 3.45Å; W196-I201 HydrophobicContact CE3-CD1 3.8Å; W196-I201 HydrophobicContact CE3-CG1 4.14Å; W196-I201 HydrophobicContact CZ3-CD1 4.03Å; W196-I262 HydrophobicContact CZ3-CG2 4.46Å; W196-Q265 HydrophobicContact CH2-CB 3.64Å; W196-Q265 HydrophobicContact CH2-CG 3.19Å; W196-Q265 HydrophobicContact CZ2-CG 3.61Å; W196-Q265 HydrophobicContact CZ3-CB 3.85Å; W196-Q265 HydrophobicContact CZ3-CG 3.72Å; W196-F266 HydrophobicContact CE3-CB 4.04Å; W196-F266 HydrophobicContact CZ3-CB 4.1Å; W196-H269 HydrophobicContact CB-CB 3.95Å; W196-H269 AromaticContact CD1-CD2 3.88Å; W196-H269 AromaticContact CD1-CE1 3.51Å; W196-H269 AromaticContact CD1-ND1 3.77Å; W196-H269 AromaticContact CD1-NE2 3.6Å; W196-H269 HydrophobicContact CD2-CB 4.46Å; W196-H269 AromaticContact CD2-CD2 3.37Å; W196-H269 AromaticContact CD2-CG 3.84Å; W196-H269 AromaticContact CD2-NE2 3.74Å; W196-H269 AromaticContact CE2-CD2 3.58Å; W196-H269 AromaticContact CE2-NE2 3.47Å; W196-H269 AromaticContact CE3-CD2 3.8Å; W196-H269 HydrophobicContact CG-CB 4.2Å; W196-H269 AromaticContact CG-CD2 3.6Å; W196-H269 AromaticContact CG-CE1 3.89Å; W196-H269 AromaticContact CG-CG 3.59Å; W196-H269 AromaticContact CG-ND1 3.78Å; W196-H269 AromaticContact CG-NE2 3.82Å; W196-H269 AromaticContact NE1-CD2 3.84Å; W196-H269 AromaticContact NE1-CE1 3.65Å; W196-H269 AromaticContact NE1-NE2 3.34Å; W196-H269 PolarHBondContact NE1-NE2 3.07Å; W196-Q270 PolarHBondContact O-NE2 2.88Å; W196-L286 HydrophobicContact CH2-CD2 4.31Å |
| 197 | S | 86.7 | Confident | 80.6 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | trans | -62.5 | 142.7 | 174.9 | 67.6 | 0 | 0 | 0 | 0 | 110.7 | N194 G195 K199 V200 I201 | N194-S197 VanDerWaalsContact O-CB 3.23Å; N194-S197 WeakPolarHBondContact O-CB 3.34Å; N194-S197 PolarHBondContact O-N 3.19Å; N194-S197 PolarHBondContact O-OG 2.9Å; G195-S197 VanDerWaalsContact C-N 3.32Å; S197-K199 PolarHBondContact O-N 2.87Å; S197-K199 VanDerWaalsContact O-N 3.13Å; S197-V200 PolarHBondContact O-N 3.36Å; S197-V200 VanDerWaalsContact O-N 3.11Å; S197-V200 VanDerWaalsContact OG-CG2 3.28Å; S197-V200 WeakPolarHBondContact OG-CG2 3.1Å; S197-I201 PolarHBondContact O-N 3.04Å; S197-I201 VanDerWaalsContact O-N 3.12Å | ||
| 198 | P | 90 | Very high | 81.6 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53 | -38.5 | -180 | -28.9 | 34.3 | 0 | 0 | 0 | 113.3 | I202 F266 | P198-I202 HydrophobicContact CB-CD1 4.38Å; P198-I202 WeakPolarHBondContact O-CB 3.42Å; P198-I202 WeakPolarHBondContact O-CD1 3.26Å; P198-I202 WeakPolarHBondContact O-CG1 3.46Å; P198-I202 PolarHBondContact O-N 3.47Å; P198-F266 HydrophobicContact CB-CE2 4.13Å; P198-F266 HydrophobicContact CB-CZ 3.96Å; P198-F266 HydrophobicContact CG-CE2 3.96Å; P198-F266 HydrophobicContact CG-CZ 3.99Å |
| 199 | K | 90.2 | Very high | 82.8 | Confident | 175 Ų | 175 | 66.1 Ų | 66.1 | 76% | 0.761 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.8 | -48.8 | 179.2 | -65.6 | -177.2 | -178.9 | -179 | 0 | 111.8 | S197 C203 | S197-K199 PolarHBondContact O-N 2.87Å; S197-K199 VanDerWaalsContact O-N 3.13Å; K199-C203 WeakPolarHBondContact O-CB 3.4Å; K199-C203 PolarHBondContact O-N 3.31Å; K199-C203 PolarHBondContact O-SG 3.39Å |
| 200 | V | 88.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 66 Ų | 66 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | -178.8 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | S197 C203 L204 | S197-V200 PolarHBondContact O-N 3.36Å; S197-V200 VanDerWaalsContact O-N 3.11Å; S197-V200 VanDerWaalsContact OG-CG2 3.28Å; S197-V200 WeakPolarHBondContact OG-CG2 3.1Å; V200-C203 PolarHBondContact O-N 3.25Å; V200-L204 WeakPolarHBondContact O-CB 3.34Å; V200-L204 PolarHBondContact O-N 3.47Å |
| 201 | I | 91.3 | Very high | 86.2 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -41.8 | -178.5 | -60.3 | -58.7 | 0 | 0 | 0 | 111.6 | W196 S197 C203 L204 Q205 I262 F266 | W196-I201 HydrophobicContact CE3-CD1 3.8Å; W196-I201 HydrophobicContact CE3-CG1 4.14Å; W196-I201 HydrophobicContact CZ3-CD1 4.03Å; S197-I201 PolarHBondContact O-N 3.04Å; S197-I201 VanDerWaalsContact O-N 3.12Å; I201-C203 PolarHBondContact O-N 3.45Å; I201-L204 PolarHBondContact O-N 3.5Å; I201-Q205 HydrophobicContact CG2-CG 4.19Å; I201-Q205 VanDerWaalsContact O-CG 3.28Å; I201-Q205 WeakPolarHBondContact O-CG 3.21Å; I201-Q205 PolarHBondContact O-N 2.89Å; I201-I262 HydrophobicContact CD1-CG2 4.4Å; I201-F266 HydrophobicContact CB-CD2 3.93Å; I201-F266 HydrophobicContact CB-CE2 4.36Å; I201-F266 HydrophobicContact CB-CG 4.21Å; I201-F266 HydrophobicContact CG1-CB 4.29Å; I201-F266 HydrophobicContact CG1-CD2 3.72Å; I201-F266 HydrophobicContact CG1-CE2 4.4Å; I201-F266 HydrophobicContact CG1-CG 4.23Å; I201-F266 HydrophobicContact CG2-CB 3.85Å; I201-F266 HydrophobicContact CG2-CD1 4.31Å; I201-F266 HydrophobicContact CG2-CD2 4.08Å; I201-F266 HydrophobicContact CG2-CG 3.82Å |
| 202 | I | 93.7 | Very high | 88 | Confident | 89 Ų | 89 | 57.1 Ų | 57.1 | 46% | 0.456 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 176.2 | -70.6 | 166.2 | 0 | 0 | 0 | 110.4 | P198 L204 Q205 I206 | P198-I202 HydrophobicContact CB-CD1 4.38Å; P198-I202 WeakPolarHBondContact O-CB 3.42Å; P198-I202 WeakPolarHBondContact O-CD1 3.26Å; P198-I202 WeakPolarHBondContact O-CG1 3.46Å; P198-I202 PolarHBondContact O-N 3.47Å; I202-L204 VanDerWaalsContact C-N 3.35Å; I202-L204 PolarHBondContact O-N 3.39Å; I202-Q205 PolarHBondContact O-N 2.88Å; I202-I206 HydrophobicContact CG2-CD1 3.62Å; I202-I206 HydrophobicContact CG2-CG1 4.36Å; I202-I206 WeakPolarHBondContact O-CB 3.45Å; I202-I206 WeakPolarHBondContact O-CG1 3.22Å; I202-I206 PolarHBondContact O-N 3.48Å |
| 203 | C | 93.4 | Very high | 89.8 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 45% | 0.446 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 175.4 | -73.7 | 0 | 0 | 0 | 0 | 111.9 | K199 V200 I201 Q205 I206 F207 | K199-C203 WeakPolarHBondContact O-CB 3.4Å; K199-C203 PolarHBondContact O-N 3.31Å; K199-C203 PolarHBondContact O-SG 3.39Å; V200-C203 PolarHBondContact O-N 3.25Å; I201-C203 PolarHBondContact O-N 3.45Å; C203-Q205 VanDerWaalsContact C-N 3.35Å; C203-Q205 PolarHBondContact O-N 2.87Å; C203-I206 PolarHBondContact O-N 2.81Å; C203-F207 HydrophobicContact CB-CD2 4.38Å; C203-F207 WeakPolarHBondContact O-CB 3.45Å; C203-F207 WeakPolarHBondContact O-CD2 3.49Å; C203-F207 PolarHBondContact O-N 3.38Å |
| 204 | L | 93.3 | Very high | 91.4 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.4 | -179.5 | 153.5 | 0 | 0 | 0 | 111.9 | Y123 V200 I201 I202 G208 I262 | Y123-L204 WeakPolarHBondContact OH-CD1 3.21Å; Y123-L204 WeakPolarHBondContact OH-CG 3.23Å; V200-L204 WeakPolarHBondContact O-CB 3.34Å; V200-L204 PolarHBondContact O-N 3.47Å; I201-L204 PolarHBondContact O-N 3.5Å; I202-L204 VanDerWaalsContact C-N 3.35Å; I202-L204 PolarHBondContact O-N 3.39Å; L204-G208 WeakPolarHBondContact O-CA 3.26Å; L204-G208 PolarHBondContact O-N 3.39Å; L204-I262 HydrophobicContact CD2-CD1 4.18Å; L204-I262 HydrophobicContact CD2-CG2 4.03Å |
| 205 | Q | 96.1 | Very high | 93 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.8 | -42.4 | 179.8 | -64.9 | -64 | 18.4 | 0 | 0 | 112.5 | I201 I202 C203 F209 L210 H259 | I201-Q205 HydrophobicContact CG2-CG 4.19Å; I201-Q205 VanDerWaalsContact O-CG 3.28Å; I201-Q205 WeakPolarHBondContact O-CG 3.21Å; I201-Q205 PolarHBondContact O-N 2.89Å; I202-Q205 PolarHBondContact O-N 2.88Å; C203-Q205 VanDerWaalsContact C-N 3.35Å; C203-Q205 PolarHBondContact O-N 2.87Å; Q205-F209 PolarHBondContact O-N 3.44Å; Q205-L210 WeakPolarHBondContact O-CB 3.44Å; Q205-L210 WeakPolarHBondContact O-CG 3.4Å; Q205-L210 PolarHBondContact O-N 2.96Å; Q205-H259 PolarHBondContact NE2-O 3.33Å; Q205-H259 PolarHBondContact OE1-ND1 3.01Å |
| 206 | I | 97.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -70.1 | -57.9 | -179.3 | -66.7 | 174.2 | 0 | 0 | 0 | 110.3 | I202 C203 L210 A211 | I202-I206 HydrophobicContact CG2-CD1 3.62Å; I202-I206 HydrophobicContact CG2-CG1 4.36Å; I202-I206 WeakPolarHBondContact O-CB 3.45Å; I202-I206 WeakPolarHBondContact O-CG1 3.22Å; I202-I206 PolarHBondContact O-N 3.48Å; C203-I206 PolarHBondContact O-N 2.81Å; I206-L210 PolarHBondContact O-N 3.26Å; I206-A211 VanDerWaalsContact O-CB 3.3Å; I206-A211 WeakPolarHBondContact O-CB 3.45Å; I206-A211 PolarHBondContact O-N 2.95Å |
| 207 | F | 96.1 | Very high | 94.9 | Very high | 124 Ų | 124 | 54.3 Ų | 54.3 | 54% | 0.544 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -85.1 | -34.5 | -172.2 | -63.8 | -71.5 | 0 | 0 | 0 | 112.4 | Y127 C203 P212 | Y127-F207 PolarHBondContact OH-O 2.88Å; C203-F207 HydrophobicContact CB-CD2 4.38Å; C203-F207 WeakPolarHBondContact O-CB 3.45Å; C203-F207 WeakPolarHBondContact O-CD2 3.49Å; C203-F207 PolarHBondContact O-N 3.38Å; F207-P212 VanDerWaalsContact O-CD 3.26Å; F207-P212 WeakPolarHBondContact O-CD 2.98Å; F207-P212 VanDerWaalsContact O-CG 3.23Å; F207-P212 WeakPolarHBondContact O-CG 2.99Å |
| 208 | G | 94.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -77 | -17.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I126 L204 | I126-G208 WeakPolarHBondContact CD1-O 3.37Å; L204-G208 WeakPolarHBondContact O-CA 3.26Å; L204-G208 PolarHBondContact O-N 3.39Å |
| 209 | F | 96.9 | Very high | 95.7 | Very high | 15 Ų | 15 | 53 Ų | 53 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -146.7 | -58.2 | -178.4 | -178.2 | -115.7 | 0 | 0 | 0 | 115.9 | Q205 A211 P212 A213 F251 F255 T256 H259 | Q205-F209 PolarHBondContact O-N 3.44Å; F209-A211 PolarHBondContact O-N 3.22Å; F209-P212 WeakPolarHBondContact O-CD 3.46Å; F209-A213 HydrophobicContact CD2-CB 4.36Å; F209-A213 HydrophobicContact CE2-CB 4.09Å; F209-A213 HydrophobicContact CZ-CB 4.25Å; F209-A213 WeakPolarHBondContact O-CB 3.37Å; F209-A213 PolarHBondContact O-N 2.95Å; F209-F251 HydrophobicContact CD2-CZ 4.42Å; F209-F251 HydrophobicContact CE2-CE1 4.11Å; F209-F251 HydrophobicContact CE2-CZ 4.36Å; F209-F255 HydrophobicContact CD2-CB 3.96Å; F209-F255 HydrophobicContact CE2-CB 3.58Å; F209-T256 HydrophobicContact CE1-CG2 4.41Å; F209-T256 HydrophobicContact CZ-CG2 4.3Å; F209-T256 WeakPolarHBondContact CZ-OG1 3.27Å; F209-H259 HydrophobicContact CB-CB 4.28Å; F209-H259 VanDerWaalsContact CB-CE1 3.42Å; F209-H259 WeakPolarHBondContact CB-CE1 3.34Å; F209-H259 VanDerWaalsContact CB-CG 3.46Å; F209-H259 WeakPolarHBondContact CB-ND1 3.43Å; F209-H259 HydrophobicContact CD1-CB 3.62Å; F209-H259 AromaticContact CD1-CG 3.74Å; F209-H259 AromaticContact CD2-CD2 3.67Å; F209-H259 HydrophobicContact CE1-CB 4.11Å; F209-H259 HydrophobicContact CG-CB 3.92Å; F209-H259 AromaticContact CG-CD2 3.52Å; F209-H259 AromaticContact CG-CG 3.49Å; F209-H259 VanDerWaalsContact CG-CG 3.49Å; F209-H259 AromaticContact CG-ND1 3.95Å |
| 210 | L | 98.2 | Very high | 96 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 53% | 0.534 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -61.4 | -46.5 | -169.8 | -71.7 | 172.1 | 0 | 0 | 0 | 112.9 | Q205 I206 L214 | Q205-L210 WeakPolarHBondContact O-CB 3.44Å; Q205-L210 WeakPolarHBondContact O-CG 3.4Å; Q205-L210 PolarHBondContact O-N 2.96Å; I206-L210 PolarHBondContact O-N 3.26Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 3.19Å |
| 211 | A | 98.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.8 | -51.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I206 F209 A213 L214 T215 | I206-A211 VanDerWaalsContact O-CB 3.3Å; I206-A211 WeakPolarHBondContact O-CB 3.45Å; I206-A211 PolarHBondContact O-N 2.95Å; F209-A211 PolarHBondContact O-N 3.22Å; A211-A213 VanDerWaalsContact C-N 3.35Å; A211-A213 PolarHBondContact O-N 3.47Å; A211-L214 PolarHBondContact O-N 3.44Å; A211-T215 WeakPolarHBondContact O-CB 3.36Å; A211-T215 PolarHBondContact O-N 3.27Å; A211-T215 PolarHBondContact O-OG1 2.95Å; A211-T215 VanDerWaalsContact O-OG1 3.1Å |
| 212 | P | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | 174 | -26.2 | 32.6 | 0 | 0 | 0 | 114.1 | I126 Y127 M130 F207 F209 T215 L216 | I126-P212 HydrophobicContact CG2-CB 3.54Å; I126-P212 HydrophobicContact CG2-CG 3.87Å; Y127-P212 HydrophobicContact CD1-CG 4.35Å; Y127-P212 HydrophobicContact CE1-CG 3.95Å; M130-P212 HydrophobicContact CB-CB 4.32Å; M130-P212 HydrophobicContact CG-CB 4.43Å; M130-P212 HydrophobicContact SD-CB 4.09Å; F207-P212 VanDerWaalsContact O-CD 3.26Å; F207-P212 WeakPolarHBondContact O-CD 2.98Å; F207-P212 VanDerWaalsContact O-CG 3.23Å; F207-P212 WeakPolarHBondContact O-CG 2.99Å; F209-P212 WeakPolarHBondContact O-CD 3.46Å; P212-T215 PolarHBondContact O-N 3.02Å; P212-L216 WeakPolarHBondContact O-CB 3.21Å; P212-L216 PolarHBondContact O-N 3.34Å |
| 213 | A | 98.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F209 A211 L216 V217 F251 L252 | F209-A213 HydrophobicContact CD2-CB 4.36Å; F209-A213 HydrophobicContact CE2-CB 4.09Å; F209-A213 HydrophobicContact CZ-CB 4.25Å; F209-A213 WeakPolarHBondContact O-CB 3.37Å; F209-A213 PolarHBondContact O-N 2.95Å; A211-A213 VanDerWaalsContact C-N 3.35Å; A211-A213 PolarHBondContact O-N 3.47Å; A213-L216 PolarHBondContact O-N 2.88Å; A213-V217 WeakPolarHBondContact O-CB 3.43Å; A213-V217 VanDerWaalsContact O-CG2 3.26Å; A213-V217 WeakPolarHBondContact O-CG2 3.44Å; A213-V217 PolarHBondContact O-N 3.23Å; A213-F251 HydrophobicContact CB-CE1 3.81Å; A213-F251 HydrophobicContact CB-CZ 4.42Å; A213-L252 HydrophobicContact CB-CD2 4.24Å |
| 214 | L | 98.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 41.6 Ų | 41.6 | 59% | 0.586 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.9 | -46.2 | 178 | -178.6 | 62.6 | 0 | 0 | 0 | 110.9 | L210 A211 L216 V217 C218 | L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 3.19Å; A211-L214 PolarHBondContact O-N 3.44Å; L214-L216 PolarHBondContact O-N 2.91Å; L214-V217 PolarHBondContact O-N 3.27Å; L214-C218 WeakPolarHBondContact O-CB 3.05Å; L214-C218 PolarHBondContact O-N 3.44Å; L214-C218 PolarHBondContact O-SG 3Å |
| 215 | T | 98.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 176.2 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | M130 V134 A211 P212 C218 C219 | M130-T215 HydrophobicContact CG-CG2 3.81Å; M130-T215 HydrophobicContact SD-CG2 4.13Å; V134-T215 HydrophobicContact CG2-CG2 3.64Å; A211-T215 WeakPolarHBondContact O-CB 3.36Å; A211-T215 PolarHBondContact O-N 3.27Å; A211-T215 PolarHBondContact O-OG1 2.95Å; A211-T215 VanDerWaalsContact O-OG1 3.1Å; P212-T215 PolarHBondContact O-N 3.02Å; T215-C218 PolarHBondContact O-N 3.2Å; T215-C219 VanDerWaalsContact O-CB 3.28Å; T215-C219 WeakPolarHBondContact O-CB 3.13Å; T215-C219 PolarHBondContact O-N 2.88Å; T215-C219 PolarHBondContact O-SG 3.15Å |
| 216 | L | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 179.9 | -178.4 | 64.6 | 0 | 0 | 0 | 112.1 | I129 P212 A213 L214 S220 L248 F251 | I129-L216 HydrophobicContact CG2-CD1 4.42Å; I129-L216 HydrophobicContact CG2-CD2 3.81Å; P212-L216 WeakPolarHBondContact O-CB 3.21Å; P212-L216 PolarHBondContact O-N 3.34Å; A213-L216 PolarHBondContact O-N 2.88Å; L214-L216 PolarHBondContact O-N 2.91Å; L216-S220 VanDerWaalsContact O-CB 3.23Å; L216-S220 WeakPolarHBondContact O-CB 3.17Å; L216-S220 PolarHBondContact O-N 2.99Å; L216-S220 PolarHBondContact O-OG 3.31Å; L216-L248 HydrophobicContact CD2-CD2 4.11Å; L216-L248 HydrophobicContact CG-CD2 3.81Å; L216-F251 HydrophobicContact CD2-CB 4.08Å; L216-F251 HydrophobicContact CD2-CD1 3.65Å; L216-F251 HydrophobicContact CD2-CD2 4.26Å; L216-F251 HydrophobicContact CD2-CE1 4.15Å; L216-F251 HydrophobicContact CD2-CG 3.72Å |
| 217 | V | 98.2 | Very high | 95.5 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 35% | 0.345 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -48.8 | 178.2 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | A213 L214 S220 A221 L248 L252 | A213-V217 WeakPolarHBondContact O-CB 3.43Å; A213-V217 VanDerWaalsContact O-CG2 3.26Å; A213-V217 WeakPolarHBondContact O-CG2 3.44Å; A213-V217 PolarHBondContact O-N 3.23Å; L214-V217 PolarHBondContact O-N 3.27Å; V217-S220 PolarHBondContact O-N 3.14Å; V217-A221 WeakPolarHBondContact O-CB 3.47Å; V217-A221 PolarHBondContact O-N 3.13Å; V217-L248 HydrophobicContact CG2-CD2 4.16Å; V217-L252 HydrophobicContact CG2-CD1 3.95Å; V217-L252 HydrophobicContact CG2-CD2 4.39Å |
| 218 | C | 98.1 | Very high | 95 | Very high | 56 Ų | 56 | 46 Ų | 46 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 179.1 | -70.6 | 0 | 0 | 0 | 0 | 112 | L214 T215 S220 A221 Q222 | L214-C218 WeakPolarHBondContact O-CB 3.05Å; L214-C218 PolarHBondContact O-N 3.44Å; L214-C218 PolarHBondContact O-SG 3Å; T215-C218 PolarHBondContact O-N 3.2Å; C218-S220 VanDerWaalsContact C-N 3.34Å; C218-S220 PolarHBondContact O-N 3.17Å; C218-A221 PolarHBondContact O-N 2.76Å; C218-Q222 WeakPolarHBondContact O-CG 2.91Å; C218-Q222 PolarHBondContact O-N 3.46Å; C218-Q222 VanDerWaalsContact O-N 3.08Å |
| 219 | C | 97 | Very high | 94.5 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.3 | -72 | 0 | 0 | 0 | 0 | 111 | W137 T215 Q222 V223 | W137-C219 HydrophobicContact CB-CB 3.78Å; W137-C219 HydrophobicContact CG-CB 4.15Å; T215-C219 VanDerWaalsContact O-CB 3.28Å; T215-C219 WeakPolarHBondContact O-CB 3.13Å; T215-C219 PolarHBondContact O-N 2.88Å; T215-C219 PolarHBondContact O-SG 3.15Å; C219-Q222 PolarHBondContact O-N 2.99Å; C219-V223 VanDerWaalsContact O-CG2 3.31Å; C219-V223 WeakPolarHBondContact O-CG2 3.31Å; C219-V223 PolarHBondContact O-N 2.88Å |
| 220 | S | 94.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | -178.9 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | L216 V217 C218 Q222 V223 I224 L248 | L216-S220 VanDerWaalsContact O-CB 3.23Å; L216-S220 WeakPolarHBondContact O-CB 3.17Å; L216-S220 PolarHBondContact O-N 2.99Å; L216-S220 PolarHBondContact O-OG 3.31Å; V217-S220 PolarHBondContact O-N 3.14Å; C218-S220 VanDerWaalsContact C-N 3.34Å; C218-S220 PolarHBondContact O-N 3.17Å; S220-Q222 PolarHBondContact O-N 2.85Å; S220-V223 PolarHBondContact O-N 2.9Å; S220-I224 WeakPolarHBondContact O-CD1 3.03Å; S220-I224 VanDerWaalsContact O-CG1 3.23Å; S220-I224 WeakPolarHBondContact O-CG1 3.31Å; S220-I224 PolarHBondContact O-N 3.37Å; S220-L248 VanDerWaalsContact CB-CD1 3.49Å |
| 221 | A | 96.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | V217 C218 V223 I224 W225 | V217-A221 WeakPolarHBondContact O-CB 3.47Å; V217-A221 PolarHBondContact O-N 3.13Å; C218-A221 PolarHBondContact O-N 2.76Å; A221-V223 PolarHBondContact O-N 3.02Å; A221-I224 PolarHBondContact O-N 3.04Å; A221-W225 PolarHBondContact O-N 3Å |
| 222 | Q | 95.4 | Very high | 89.8 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.7 | -71.8 | -178.5 | 42.5 | 0 | 0 | 112.1 | C218 C219 S220 I224 W225 T226 | C218-Q222 WeakPolarHBondContact O-CG 2.91Å; C218-Q222 PolarHBondContact O-N 3.46Å; C218-Q222 VanDerWaalsContact O-N 3.08Å; C219-Q222 PolarHBondContact O-N 2.99Å; S220-Q222 PolarHBondContact O-N 2.85Å; Q222-I224 VanDerWaalsContact C-N 3.34Å; Q222-I224 PolarHBondContact O-N 2.88Å; Q222-W225 PolarHBondContact O-N 3.5Å; Q222-T226 PolarHBondContact O-N 2.01Å; Q222-T226 PolarHBondContact O-OG1 3.33Å |
| 223 | V | 91.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | W137 I140 C219 S220 A221 W225 T226 L227 I244 | W137-V223 VanDerWaalsContact CA-CG2 3.49Å; W137-V223 HydrophobicContact CB-CG2 3.92Å; I140-V223 HydrophobicContact CB-CG1 4.43Å; I140-V223 HydrophobicContact CD1-CG1 3.57Å; I140-V223 HydrophobicContact CG2-CG1 4.26Å; C219-V223 VanDerWaalsContact O-CG2 3.31Å; C219-V223 WeakPolarHBondContact O-CG2 3.31Å; C219-V223 PolarHBondContact O-N 2.88Å; S220-V223 PolarHBondContact O-N 2.9Å; A221-V223 PolarHBondContact O-N 3.02Å; V223-W225 PolarHBondContact O-N 2.91Å; V223-T226 PolarHBondContact O-N 2.98Å; V223-L227 HydrophobicContact CG1-CD1 3.82Å; V223-L227 HydrophobicContact CG1-CG 4.33Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.43Å; V223-L227 PolarHBondContact O-N 2.99Å; V223-I244 HydrophobicContact CB-CD1 4.25Å; V223-I244 HydrophobicContact CG1-CD1 3.36Å |
| 224 | I | 91.6 | Very high | 86.8 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 179.1 | -68.3 | 165.1 | 0 | 0 | 0 | 110.4 | S220 A221 Q222 L227 Q228 V241 I244 | S220-I224 WeakPolarHBondContact O-CD1 3.03Å; S220-I224 VanDerWaalsContact O-CG1 3.23Å; S220-I224 WeakPolarHBondContact O-CG1 3.31Å; S220-I224 PolarHBondContact O-N 3.37Å; A221-I224 PolarHBondContact O-N 3.04Å; Q222-I224 VanDerWaalsContact C-N 3.34Å; Q222-I224 PolarHBondContact O-N 2.88Å; I224-L227 PolarHBondContact O-N 3.27Å; I224-Q228 HydrophobicContact CG2-CG 4.46Å; I224-Q228 VanDerWaalsContact O-CG 3.27Å; I224-Q228 WeakPolarHBondContact O-CG 3.38Å; I224-Q228 PolarHBondContact O-N 2.68Å; I224-V241 HydrophobicContact CG1-CG1 4.28Å; I224-V241 HydrophobicContact CG1-CG2 4.43Å; I224-V241 HydrophobicContact CG2-CG1 4.26Å; I224-V241 HydrophobicContact CG2-CG2 4.41Å; I224-I244 HydrophobicContact CD1-CG2 4.06Å; I224-I244 HydrophobicContact CG1-CG2 4.25Å |
| 225 | W | 92.4 | Very high | 85.5 | Confident | 167 Ų | 167 | 71 Ų | 71 | 63% | 0.633 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 176.7 | -74.1 | -29 | 0 | 0 | 0 | 112.4 | A221 Q222 V223 L227 Q228 E229 | A221-W225 PolarHBondContact O-N 3Å; Q222-W225 PolarHBondContact O-N 3.5Å; V223-W225 PolarHBondContact O-N 2.91Å; W225-L227 VanDerWaalsContact C-N 3.3Å; W225-L227 PolarHBondContact O-N 2.9Å; W225-Q228 PolarHBondContact O-N 2.85Å; W225-Q228 VanDerWaalsContact O-N 3.13Å; W225-E229 WeakPolarHBondContact O-CB 3.27Å; W225-E229 PolarHBondContact O-N 2.78Å |
| 226 | T | 89.9 | Confident | 84.2 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 31% | 0.307 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111.9 | I140 C141 Q222 V223 Q228 E229 S230 | I140-T226 HydrophobicContact CG2-CG2 4.33Å; C141-T226 PolarHBondContact SG-OG1 3.35Å; Q222-T226 PolarHBondContact O-N 2.01Å; Q222-T226 PolarHBondContact O-OG1 3.33Å; V223-T226 PolarHBondContact O-N 2.98Å; T226-Q228 VanDerWaalsContact C-N 3.32Å; T226-Q228 PolarHBondContact O-N 2.88Å; T226-E229 PolarHBondContact O-N 3.27Å; T226-S230 VanDerWaalsContact O-CB 3.32Å; T226-S230 WeakPolarHBondContact O-CB 3.22Å; T226-S230 PolarHBondContact O-N 2.96Å; T226-S230 PolarHBondContact O-OG 3.42Å |
| 227 | L | 86.8 | Confident | 83.1 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 177.3 | -74.1 | 173.9 | 0 | 0 | 0 | 112.7 | I140 V223 I224 W225 S230 C240 V241 I244 | I140-L227 HydrophobicContact CG2-CD2 4.29Å; I140-L227 HydrophobicContact CG2-CG 4.37Å; V223-L227 HydrophobicContact CG1-CD1 3.82Å; V223-L227 HydrophobicContact CG1-CG 4.33Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.43Å; V223-L227 PolarHBondContact O-N 2.99Å; I224-L227 PolarHBondContact O-N 3.27Å; W225-L227 VanDerWaalsContact C-N 3.3Å; W225-L227 PolarHBondContact O-N 2.9Å; L227-S230 PolarHBondContact O-OG 3.18Å; L227-C240 HydrophobicContact CD1-CB 4.15Å; L227-V241 HydrophobicContact CB-CG2 4.36Å; L227-V241 HydrophobicContact CD1-CG2 4.04Å; L227-I244 HydrophobicContact CD1-CD1 4.33Å |
| 228 | Q | 85.7 | Confident | 82.2 | Confident | 122 Ų | 122 | 76 Ų | 76 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -76.4 | -39.9 | 176.6 | -72.3 | 175 | -16.5 | 0 | 0 | 112.5 | I224 W225 T226 | I224-Q228 HydrophobicContact CG2-CG 4.46Å; I224-Q228 VanDerWaalsContact O-CG 3.27Å; I224-Q228 WeakPolarHBondContact O-CG 3.38Å; I224-Q228 PolarHBondContact O-N 2.68Å; W225-Q228 PolarHBondContact O-N 2.85Å; W225-Q228 VanDerWaalsContact O-N 3.13Å; T226-Q228 VanDerWaalsContact C-N 3.32Å; T226-Q228 PolarHBondContact O-N 2.88Å |
| 229 | E | 83.5 | Confident | 81.3 | Confident | 169 Ų | 169 | 75.6 Ų | 75.6 | 79% | 0.79 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -75.3 | -34 | -176.2 | -170.1 | 178.9 | -172 | 0 | 0 | 112.7 | W225 T226 G231 | W225-E229 WeakPolarHBondContact O-CB 3.27Å; W225-E229 PolarHBondContact O-N 2.78Å; T226-E229 PolarHBondContact O-N 3.27Å; E229-G231 PolarHBondContact O-N 2.67Å |
| 230 | S | 76.3 | Confident | 80.6 | Confident | 64 Ų | 64 | 76.3 Ų | 76.3 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 3 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 115.2 | T226 L227 Q232 | T226-S230 VanDerWaalsContact O-CB 3.32Å; T226-S230 WeakPolarHBondContact O-CB 3.22Å; T226-S230 PolarHBondContact O-N 2.96Å; T226-S230 PolarHBondContact O-OG 3.42Å; L227-S230 PolarHBondContact O-OG 3.18Å; S230-Q232 PolarHBondContact O-N 3.36Å |
| 231 | G | 61.1 | Low | 80.2 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 66% | 0.66 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 67.9 | -1.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E229 R233 | E229-G231 PolarHBondContact O-N 2.67Å; G231-R233 PolarHBondContact O-N 2.55Å |
| 232 | Q | 56.4 | Low | 79.7 | Confident | 118 Ų | 118 | 82.7 Ų | 82.7 | 55% | 0.551 | 43% | 0.431 | S | S | * | . | trans | -76.1 | 64.5 | 174.4 | -64.6 | -170.6 | -0.3 | 0 | 0 | 110.1 | S230 S234 S237 | S230-Q232 PolarHBondContact O-N 3.36Å; Q232-S234 PolarHBondContact O-N 3.45Å; Q232-S237 WeakPolarHBondContact O-CB 3.22Å; Q232-S237 PolarHBondContact O-OG 3.21Å; Q232-S237 VanDerWaalsContact O-OG 3.14Å | ||
| 233 | R | 62.5 | Low | 79.2 | Confident | 223 Ų | 223 | 84.1 Ų | 84.1 | 84% | 0.842 | 44% | 0.44 | S | S | * | . | trans | -70.3 | 40.1 | 161.2 | -83 | -176.2 | 170.6 | 179.2 | -1.7 | 111.2 | G231 | G231-R233 PolarHBondContact O-N 2.55Š| ||
| 234 | S | 70.6 | Confident | 79 | Confident | 47 Ų | 47 | 84.6 Ų | 84.6 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | trans | -74.2 | 154.4 | 170.8 | 69.1 | 0 | 0 | 0 | 0 | 109.4 | Q232 T236 S237 Q238 | Q232-S234 PolarHBondContact O-N 3.45Å; S234-T236 PolarHBondContact O-N 3.39Å; S234-S237 PolarHBondContact O-N 2.65Å; S234-S237 VanDerWaalsContact O-N 3.12Å; S234-S237 PolarHBondContact OG-N 3.22Å; S234-Q238 PolarHBondContact O-N 2.82Å | ||
| 235 | T | 71.8 | Confident | 78.9 | Confident | 122 Ų | 122 | 85.9 Ų | 85.9 | 75% | 0.748 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54.1 | -34.2 | 173 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | A239 | T235-A239 WeakPolarHBondContact O-CB 3.49Å; T235-A239 PolarHBondContact O-N 3.03Å |
| 236 | T | 70.6 | Confident | 78.8 | Confident | 105 Ų | 105 | 80.8 Ų | 80.8 | 64% | 0.644 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 176.2 | -46.3 | 0 | 0 | 0 | 0 | 113.2 | S234 A239 C240 | S234-T236 PolarHBondContact O-N 3.39Å; T236-A239 PolarHBondContact O-N 3.33Å; T236-C240 PolarHBondContact O-N 3.35Å |
| 237 | S | 74.8 | Confident | 78.8 | Confident | 11 Ų | 11 | 80 Ų | 80 | 8% | 0.077 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.3 | -43 | 177.7 | 179 | 0 | 0 | 0 | 0 | 111.4 | Q232 S234 A239 C240 V241 | Q232-S237 WeakPolarHBondContact O-CB 3.22Å; Q232-S237 PolarHBondContact O-OG 3.21Å; Q232-S237 VanDerWaalsContact O-OG 3.14Å; S234-S237 PolarHBondContact O-N 2.65Å; S234-S237 VanDerWaalsContact O-N 3.12Å; S234-S237 PolarHBondContact OG-N 3.22Å; S237-A239 VanDerWaalsContact C-N 3.34Å; S237-A239 PolarHBondContact O-N 3.05Å; S237-C240 WeakPolarHBondContact O-CB 3.42Å; S237-C240 PolarHBondContact O-N 3.16Å; S237-V241 WeakPolarHBondContact O-CG2 3.18Å; S237-V241 PolarHBondContact O-N 2.98Å |
| 238 | Q | 79.2 | Confident | 79.1 | Confident | 109 Ų | 109 | 80.4 Ų | 80.4 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 175 | -68.3 | -164.3 | -3.5 | 0 | 0 | 112.6 | S234 V241 K242 | S234-Q238 PolarHBondContact O-N 2.82Å; Q238-V241 PolarHBondContact O-N 3.18Å; Q238-K242 WeakPolarHBondContact O-CG 3.03Å; Q238-K242 PolarHBondContact O-N 3.27Å |
| 239 | A | 79.4 | Confident | 79.5 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T235 T236 S237 K242 I243 | T235-A239 WeakPolarHBondContact O-CB 3.49Å; T235-A239 PolarHBondContact O-N 3.03Å; T236-A239 PolarHBondContact O-N 3.33Å; S237-A239 VanDerWaalsContact C-N 3.34Å; S237-A239 PolarHBondContact O-N 3.05Å; A239-K242 PolarHBondContact O-N 3.45Å; A239-I243 VanDerWaalsContact O-CG1 3.31Å; A239-I243 WeakPolarHBondContact O-CG1 3.39Å; A239-I243 PolarHBondContact O-N 3.1Å |
| 240 | C | 81.3 | Confident | 79.9 | Confident | 26 Ų | 26 | 71.1 Ų | 71.1 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.5 | -169 | 0 | 0 | 0 | 0 | 112.1 | L227 T236 S237 K242 I243 I244 | L227-C240 HydrophobicContact CD1-CB 4.15Å; T236-C240 PolarHBondContact O-N 3.35Å; S237-C240 WeakPolarHBondContact O-CB 3.42Å; S237-C240 PolarHBondContact O-N 3.16Å; C240-K242 VanDerWaalsContact C-N 3.34Å; C240-K242 PolarHBondContact O-N 2.9Å; C240-I243 PolarHBondContact O-N 3.1Å; C240-I244 VanDerWaalsContact O-CG1 3.31Å; C240-I244 WeakPolarHBondContact O-CG1 3.43Å; C240-I244 PolarHBondContact O-N 3.39Å |
| 241 | V | 86.2 | Confident | 80.7 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | I224 L227 S237 Q238 I243 I244 C245 | I224-V241 HydrophobicContact CG1-CG1 4.28Å; I224-V241 HydrophobicContact CG1-CG2 4.43Å; I224-V241 HydrophobicContact CG2-CG1 4.26Å; I224-V241 HydrophobicContact CG2-CG2 4.41Å; L227-V241 HydrophobicContact CB-CG2 4.36Å; L227-V241 HydrophobicContact CD1-CG2 4.04Å; S237-V241 WeakPolarHBondContact O-CG2 3.18Å; S237-V241 PolarHBondContact O-N 2.98Å; Q238-V241 PolarHBondContact O-N 3.18Å; V241-I243 VanDerWaalsContact C-N 3.34Å; V241-I243 PolarHBondContact O-N 3.25Å; V241-I244 PolarHBondContact O-N 3.06Å; V241-C245 WeakPolarHBondContact O-CB 3.4Å; V241-C245 PolarHBondContact O-N 3.26Å; V241-C245 PolarHBondContact O-SG 2.98Å; V241-C245 VanDerWaalsContact O-SG 3.34Å |
| 242 | K | 85.7 | Confident | 82.4 | Confident | 147 Ų | 147 | 67.5 Ų | 67.5 | 64% | 0.639 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 176.4 | -74.3 | 175.2 | -178.9 | -179.5 | 0 | 112.1 | Q238 A239 C240 S246 | Q238-K242 WeakPolarHBondContact O-CG 3.03Å; Q238-K242 PolarHBondContact O-N 3.27Å; A239-K242 PolarHBondContact O-N 3.45Å; C240-K242 VanDerWaalsContact C-N 3.34Å; C240-K242 PolarHBondContact O-N 2.9Å; K242-S246 WeakPolarHBondContact O-CB 3.32Å; K242-S246 PolarHBondContact O-N 2.95Å |
| 243 | I | 86.1 | Confident | 84.3 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.5 | -68.9 | 164.2 | 0 | 0 | 0 | 110.6 | A239 C240 V241 S246 G247 | A239-I243 VanDerWaalsContact O-CG1 3.31Å; A239-I243 WeakPolarHBondContact O-CG1 3.39Å; A239-I243 PolarHBondContact O-N 3.1Å; C240-I243 PolarHBondContact O-N 3.1Å; V241-I243 VanDerWaalsContact C-N 3.34Å; V241-I243 PolarHBondContact O-N 3.25Å; I243-S246 PolarHBondContact O-N 2.79Å; I243-G247 PolarHBondContact O-N 2.8Å |
| 244 | I | 88.3 | Confident | 85.8 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 179.5 | -66.2 | 163.4 | 0 | 0 | 0 | 110.9 | V223 I224 L227 C240 V241 S246 G247 L248 | V223-I244 HydrophobicContact CB-CD1 4.25Å; V223-I244 HydrophobicContact CG1-CD1 3.36Å; I224-I244 HydrophobicContact CD1-CG2 4.06Å; I224-I244 HydrophobicContact CG1-CG2 4.25Å; L227-I244 HydrophobicContact CD1-CD1 4.33Å; C240-I244 VanDerWaalsContact O-CG1 3.31Å; C240-I244 WeakPolarHBondContact O-CG1 3.43Å; C240-I244 PolarHBondContact O-N 3.39Å; V241-I244 PolarHBondContact O-N 3.06Å; I244-S246 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 3.43Å; I244-G247 PolarHBondContact O-N 2.97Å; I244-L248 HydrophobicContact CG2-CD1 4.47Å; I244-L248 PolarHBondContact O-N 3.28Å |
| 245 | C | 89.5 | Confident | 87 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 35% | 0.345 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 177.2 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | V241 L248 C249 | V241-C245 WeakPolarHBondContact O-CB 3.4Å; V241-C245 PolarHBondContact O-N 3.26Å; V241-C245 PolarHBondContact O-SG 2.98Å; V241-C245 VanDerWaalsContact O-SG 3.34Å; C245-L248 PolarHBondContact O-N 2.65Å; C245-C249 WeakPolarHBondContact O-CB 3.5Å; C245-C249 PolarHBondContact O-N 2.84Å; C245-C249 PolarHBondContact O-SG 3.26Å |
| 246 | S | 89.4 | Confident | 88.2 | Confident | 61 Ų | 61 | 52 Ų | 52 | 43% | 0.427 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 111 | K242 I243 I244 L248 C249 C250 | K242-S246 WeakPolarHBondContact O-CB 3.32Å; K242-S246 PolarHBondContact O-N 2.95Å; I243-S246 PolarHBondContact O-N 2.79Å; I244-S246 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 3.43Å; S246-L248 PolarHBondContact O-N 3.46Å; S246-C249 PolarHBondContact O-N 3.29Å; S246-C250 WeakPolarHBondContact O-CB 3.31Å; S246-C250 PolarHBondContact O-N 2.87Å; S246-C250 PolarHBondContact O-SG 2.99Å |
| 247 | G | 90.1 | Very high | 89.4 | Confident | 32 Ų | 32 | 49 Ų | 49 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I243 I244 C249 C250 F251 | I243-G247 PolarHBondContact O-N 2.8Å; I244-G247 PolarHBondContact O-N 2.97Å; G247-C249 PolarHBondContact O-N 3.32Å; G247-C250 PolarHBondContact O-N 3.3Å; G247-F251 PolarHBondContact O-N 3.45Å |
| 248 | L | 93.1 | Very high | 90.4 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 173.3 | -82.6 | 175.5 | 0 | 0 | 0 | 112.1 | L216 V217 S220 I244 C245 S246 F251 L252 | L216-L248 HydrophobicContact CD2-CD2 4.11Å; L216-L248 HydrophobicContact CG-CD2 3.81Å; V217-L248 HydrophobicContact CG2-CD2 4.16Å; S220-L248 VanDerWaalsContact CB-CD1 3.49Å; I244-L248 HydrophobicContact CG2-CD1 4.47Å; I244-L248 PolarHBondContact O-N 3.28Å; C245-L248 PolarHBondContact O-N 2.65Å; S246-L248 PolarHBondContact O-N 3.46Å; L248-F251 PolarHBondContact O-N 3.24Å; L248-L252 WeakPolarHBondContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CG 3.27Å; L248-L252 PolarHBondContact O-N 2.84Å |
| 249 | C | 93.5 | Very high | 91.2 | Very high | 74 Ų | 74 | 43.9 Ų | 43.9 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.4 | -71 | 0 | 0 | 0 | 0 | 111.5 | C245 S246 G247 F251 L252 V253 | C245-C249 WeakPolarHBondContact O-CB 3.5Å; C245-C249 PolarHBondContact O-N 2.84Å; C245-C249 PolarHBondContact O-SG 3.26Å; S246-C249 PolarHBondContact O-N 3.29Å; G247-C249 PolarHBondContact O-N 3.32Å; C249-F251 PolarHBondContact O-N 2.95Å; C249-L252 PolarHBondContact O-N 3.49Å; C249-V253 VanDerWaalsContact O-CB 3.27Å; C249-V253 WeakPolarHBondContact O-CB 3.38Å; C249-V253 WeakPolarHBondContact O-CG2 3.17Å; C249-V253 PolarHBondContact O-N 3Å |
| 250 | C | 92.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -31.4 | 177.5 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | S246 G247 P254 T296 L299 | S246-C250 WeakPolarHBondContact O-CB 3.31Å; S246-C250 PolarHBondContact O-N 2.87Å; S246-C250 PolarHBondContact O-SG 2.99Å; G247-C250 PolarHBondContact O-N 3.3Å; C250-P254 WeakPolarHBondContact O-CD 3.36Å; C250-P254 WeakPolarHBondContact O-CG 3.44Å; C250-T296 WeakPolarHBondContact O-CG2 3.04Å; C250-L299 HydrophobicContact CB-CB 4.26Å; C250-L299 HydrophobicContact CB-CD1 3.85Å |
| 251 | F | 93.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -81.2 | -53.4 | 174.4 | 176.8 | -94 | 0 | 0 | 0 | 112.7 | I126 I129 F209 A213 L216 G247 L248 C249 P254 F255 | I126-F251 HydrophobicContact CB-CE2 4.15Å; I126-F251 HydrophobicContact CG1-CE2 3.94Å; I126-F251 HydrophobicContact CG2-CE2 3.85Å; I126-F251 HydrophobicContact CG2-CZ 3.96Å; I129-F251 HydrophobicContact CB-CD2 4.38Å; I129-F251 HydrophobicContact CD1-CD2 3.93Å; I129-F251 HydrophobicContact CG2-CD2 3.97Å; I129-F251 HydrophobicContact CG2-CG 4.43Å; F209-F251 HydrophobicContact CD2-CZ 4.42Å; F209-F251 HydrophobicContact CE2-CE1 4.11Å; F209-F251 HydrophobicContact CE2-CZ 4.36Å; A213-F251 HydrophobicContact CB-CE1 3.81Å; A213-F251 HydrophobicContact CB-CZ 4.42Å; L216-F251 HydrophobicContact CD2-CB 4.08Å; L216-F251 HydrophobicContact CD2-CD1 3.65Å; L216-F251 HydrophobicContact CD2-CD2 4.26Å; L216-F251 HydrophobicContact CD2-CE1 4.15Å; L216-F251 HydrophobicContact CD2-CG 3.72Å; G247-F251 PolarHBondContact O-N 3.45Å; L248-F251 PolarHBondContact O-N 3.24Å; C249-F251 PolarHBondContact O-N 2.95Å; F251-P254 WeakPolarHBondContact O-CD 3.3Å; F251-F255 AromaticContact CD2-CD2 3.67Å; F251-F255 HydrophobicContact CD2-CD2 3.67Å; F251-F255 AromaticContact CD2-CE2 3.93Å; F251-F255 HydrophobicContact CD2-CE2 3.93Å; F251-F255 AromaticContact CE2-CD2 3.75Å; F251-F255 HydrophobicContact CE2-CD2 3.75Å; F251-F255 HydrophobicContact CE2-CE2 4.06Å; F251-F255 HydrophobicContact CG-CD2 4.25Å; F251-F255 HydrophobicContact CZ-CD2 4.36Å; F251-F255 WeakPolarHBondContact O-CB 3.36Å; F251-F255 VanDerWaalsContact O-CD2 3.26Å; F251-F255 WeakPolarHBondContact O-CD2 3.49Å; F251-F255 PolarHBondContact O-N 3.12Å |
| 252 | L | 96.1 | Very high | 93 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.4 | -41.5 | -170.1 | -68.7 | 174.1 | 0 | 0 | 0 | 113 | A213 V217 L248 C249 T256 | A213-L252 HydrophobicContact CB-CD2 4.24Å; V217-L252 HydrophobicContact CG2-CD1 3.95Å; V217-L252 HydrophobicContact CG2-CD2 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CG 3.27Å; L248-L252 PolarHBondContact O-N 2.84Å; C249-L252 PolarHBondContact O-N 3.49Å; L252-T256 WeakPolarHBondContact O-CB 3.48Å; L252-T256 PolarHBondContact O-N 2.85Å; L252-T256 PolarHBondContact O-OG1 3.48Å |
| 253 | V | 95.7 | Very high | 93.5 | Very high | 102 Ų | 102 | 41.5 Ų | 41.5 | 62% | 0.618 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.9 | -41.5 | -175.1 | 174 | 0 | 0 | 0 | 0 | 111.9 | C249 P257 | C249-V253 VanDerWaalsContact O-CB 3.27Å; C249-V253 WeakPolarHBondContact O-CB 3.38Å; C249-V253 WeakPolarHBondContact O-CG2 3.17Å; C249-V253 PolarHBondContact O-N 3Å; V253-P257 WeakPolarHBondContact O-CD 3.36Å; V253-P257 WeakPolarHBondContact O-CG 3.3Å |
| 254 | P | 94.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -83.5 | -36.4 | 178.8 | -16.7 | 34.7 | 0 | 0 | 0 | 113.9 | C250 F251 S258 I295 T296 | C250-P254 WeakPolarHBondContact O-CD 3.36Å; C250-P254 WeakPolarHBondContact O-CG 3.44Å; F251-P254 WeakPolarHBondContact O-CD 3.3Å; P254-S258 PolarHBondContact O-OG 3.19Å; P254-I295 HydrophobicContact CB-CG2 4.19Å; P254-I295 HydrophobicContact CG-CG2 3.91Å; P254-T296 HydrophobicContact CB-CG2 3.92Å; P254-T296 HydrophobicContact CG-CG2 3.9Å |
| 255 | F | 95.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -81.2 | -35.1 | -176.5 | -74.6 | -60.7 | 0 | 0 | 0 | 113.9 | T122 I126 F209 F251 S258 H259 T296 | T122-F255 HydrophobicContact CG2-CE1 3.87Å; T122-F255 HydrophobicContact CG2-CZ 4.49Å; I126-F255 HydrophobicContact CD1-CD1 3.92Å; I126-F255 HydrophobicContact CD1-CE1 3.77Å; I126-F255 HydrophobicContact CD1-CE2 4.4Å; I126-F255 HydrophobicContact CD1-CG 4.35Å; I126-F255 HydrophobicContact CD1-CZ 4.03Å; I126-F255 HydrophobicContact CG1-CD1 4.35Å; I126-F255 HydrophobicContact CG1-CD2 4.2Å; I126-F255 HydrophobicContact CG1-CE1 3.96Å; I126-F255 HydrophobicContact CG1-CE2 3.78Å; I126-F255 HydrophobicContact CG1-CG 4.48Å; I126-F255 HydrophobicContact CG1-CZ 3.67Å; F209-F255 HydrophobicContact CD2-CB 3.96Å; F209-F255 HydrophobicContact CE2-CB 3.58Å; F251-F255 AromaticContact CD2-CD2 3.67Å; F251-F255 HydrophobicContact CD2-CD2 3.67Å; F251-F255 AromaticContact CD2-CE2 3.93Å; F251-F255 HydrophobicContact CD2-CE2 3.93Å; F251-F255 AromaticContact CE2-CD2 3.75Å; F251-F255 HydrophobicContact CE2-CD2 3.75Å; F251-F255 HydrophobicContact CE2-CE2 4.06Å; F251-F255 HydrophobicContact CG-CD2 4.25Å; F251-F255 HydrophobicContact CZ-CD2 4.36Å; F251-F255 WeakPolarHBondContact O-CB 3.36Å; F251-F255 VanDerWaalsContact O-CD2 3.26Å; F251-F255 WeakPolarHBondContact O-CD2 3.49Å; F251-F255 PolarHBondContact O-N 3.12Å; F255-S258 PolarHBondContact O-N 3.26Å; F255-H259 PolarHBondContact O-CD2 2.87Å; F255-H259 PolarHBondContact O-N 3.35Å; F255-T296 HydrophobicContact CD2-CG2 4.09Å; F255-T296 HydrophobicContact CE2-CG2 3.57Å; F255-T296 HydrophobicContact CZ-CG2 4.01Å |
| 256 | T | 97.1 | Very high | 94 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -48.7 | -178.3 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | F209 L252 S258 H259 L260 | F209-T256 HydrophobicContact CE1-CG2 4.41Å; F209-T256 HydrophobicContact CZ-CG2 4.3Å; F209-T256 WeakPolarHBondContact CZ-OG1 3.27Å; L252-T256 WeakPolarHBondContact O-CB 3.48Å; L252-T256 PolarHBondContact O-N 2.85Å; L252-T256 PolarHBondContact O-OG1 3.48Å; T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 3.35Å; T256-H259 PolarHBondContact O-N 2.88Å; T256-L260 WeakPolarHBondContact O-CB 3.25Å; T256-L260 PolarHBondContact O-N 3.38Å |
| 257 | P | 96.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 177.9 | -23.3 | 36.2 | 0 | 0 | 0 | 112.4 | V253 L260 A261 F285 T289 | V253-P257 WeakPolarHBondContact O-CD 3.36Å; V253-P257 WeakPolarHBondContact O-CG 3.3Å; P257-L260 PolarHBondContact O-N 3.3Å; P257-A261 WeakPolarHBondContact O-CB 3.15Å; P257-A261 PolarHBondContact O-N 3.45Å; P257-F285 HydrophobicContact CB-CZ 4.2Å; P257-T289 HydrophobicContact CB-CG2 3.57Å |
| 258 | S | 95 | Very high | 94.1 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -47.7 | 179 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | P254 F255 T256 A261 I262 T289 S293 | P254-S258 PolarHBondContact O-OG 3.19Å; F255-S258 PolarHBondContact O-N 3.26Å; T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 3.35Å; S258-A261 WeakPolarHBondContact O-CB 3.49Å; S258-A261 PolarHBondContact O-N 2.81Å; S258-I262 WeakPolarHBondContact O-CG1 3.25Å; S258-I262 PolarHBondContact O-N 2.97Å; S258-T289 PolarHBondContact OG-O 3.33Å; S258-S293 WeakPolarHBondContact OG-CB 3.37Å |
| 259 | H | 96.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -35.2 | 176.9 | -84.2 | -83.4 | 0 | 0 | 0 | 112.4 | Y123 Q205 F209 F255 T256 I262 F263 | Y123-H259 AromaticContact CE1-CE1 3.98Å; Q205-H259 PolarHBondContact NE2-O 3.33Å; Q205-H259 PolarHBondContact OE1-ND1 3.01Å; F209-H259 HydrophobicContact CB-CB 4.28Å; F209-H259 VanDerWaalsContact CB-CE1 3.42Å; F209-H259 WeakPolarHBondContact CB-CE1 3.34Å; F209-H259 VanDerWaalsContact CB-CG 3.46Å; F209-H259 WeakPolarHBondContact CB-ND1 3.43Å; F209-H259 HydrophobicContact CD1-CB 3.62Å; F209-H259 AromaticContact CD1-CG 3.74Å; F209-H259 AromaticContact CD2-CD2 3.67Å; F209-H259 HydrophobicContact CE1-CB 4.11Å; F209-H259 HydrophobicContact CG-CB 3.92Å; F209-H259 AromaticContact CG-CD2 3.52Å; F209-H259 AromaticContact CG-CG 3.49Å; F209-H259 VanDerWaalsContact CG-CG 3.49Å; F209-H259 AromaticContact CG-ND1 3.95Å; F255-H259 PolarHBondContact O-CD2 2.87Å; F255-H259 PolarHBondContact O-N 3.35Å; T256-H259 PolarHBondContact O-N 2.88Å; H259-I262 PolarHBondContact O-N 3.33Å; H259-F263 PolarHBondContact O-N 3.08Å |
| 260 | L | 97.2 | Very high | 93.5 | Very high | 87 Ų | 87 | 37.3 Ų | 37.3 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.6 | -45 | 169.3 | 176.6 | 61.3 | 0 | 0 | 0 | 111.3 | T256 P257 I262 F263 L264 F285 | T256-L260 WeakPolarHBondContact O-CB 3.25Å; T256-L260 PolarHBondContact O-N 3.38Å; P257-L260 PolarHBondContact O-N 3.3Å; L260-I262 PolarHBondContact O-N 3.41Å; L260-F263 WeakPolarHBondContact O-CB 3.35Å; L260-F263 PolarHBondContact O-N 2.8Å; L260-L264 HydrophobicContact CD1-CD1 4.42Å; L260-L264 HydrophobicContact CD1-CG 4.34Å; L260-L264 HydrophobicContact CG-CD1 4.22Å; L260-L264 WeakPolarHBondContact O-CG 3.45Å; L260-L264 PolarHBondContact O-N 2.88Å; L260-F285 HydrophobicContact CD2-CE1 4.47Å; L260-F285 HydrophobicContact CG-CE1 4.46Å |
| 261 | A | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P257 S258 F263 L264 Q265 F285 L286 T289 | P257-A261 WeakPolarHBondContact O-CB 3.15Å; P257-A261 PolarHBondContact O-N 3.45Å; S258-A261 WeakPolarHBondContact O-CB 3.49Å; S258-A261 PolarHBondContact O-N 2.81Å; A261-F263 VanDerWaalsContact C-N 3.3Å; A261-F263 PolarHBondContact O-N 3.37Å; A261-L264 PolarHBondContact O-N 2.89Å; A261-Q265 WeakPolarHBondContact O-CB 3.24Å; A261-Q265 PolarHBondContact O-N 3.16Å; A261-F285 HydrophobicContact CB-CD1 3.43Å; A261-F285 VanDerWaalsContact CB-CD1 3.43Å; A261-F285 HydrophobicContact CB-CE1 3.64Å; A261-F285 HydrophobicContact CB-CG 4.31Å; A261-L286 VanDerWaalsContact CB-CA 3.48Å; A261-L286 HydrophobicContact CB-CB 3.94Å; A261-L286 HydrophobicContact CB-CD1 3.94Å; A261-T289 WeakPolarHBondContact CB-OG1 3.39Å |
| 262 | I | 93.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 173.5 | -67.1 | 166.1 | 0 | 0 | 0 | 110.4 | W196 I201 L204 S258 H259 L260 Q265 F266 L286 | W196-I262 HydrophobicContact CZ3-CG2 4.46Å; I201-I262 HydrophobicContact CD1-CG2 4.4Å; L204-I262 HydrophobicContact CD2-CD1 4.18Å; L204-I262 HydrophobicContact CD2-CG2 4.03Å; S258-I262 WeakPolarHBondContact O-CG1 3.25Å; S258-I262 PolarHBondContact O-N 2.97Å; H259-I262 PolarHBondContact O-N 3.33Å; L260-I262 PolarHBondContact O-N 3.41Å; I262-Q265 PolarHBondContact O-N 2.89Å; I262-F266 WeakPolarHBondContact O-CB 3.46Å; I262-F266 PolarHBondContact O-N 3.24Å; I262-L286 HydrophobicContact CB-CD1 4.43Å; I262-L286 HydrophobicContact CG1-CD1 3.55Å |
| 263 | F | 95.3 | Very high | 92.6 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 176.9 | 178.1 | -107.4 | 0 | 0 | 0 | 112.1 | H259 L260 A261 F266 L267 | H259-F263 PolarHBondContact O-N 3.08Å; L260-F263 WeakPolarHBondContact O-CB 3.35Å; L260-F263 PolarHBondContact O-N 2.8Å; A261-F263 VanDerWaalsContact C-N 3.3Å; A261-F263 PolarHBondContact O-N 3.37Å; F263-F266 HydrophobicContact CD2-CD1 4.44Å; F263-F266 HydrophobicContact CE2-CD1 4.49Å; F263-F266 WeakPolarHBondContact O-CB 3.27Å; F263-F266 PolarHBondContact O-N 3.39Å; F263-L267 HydrophobicContact CD1-CD1 4.35Å; F263-L267 HydrophobicContact CE1-CD1 3.8Å; F263-L267 HydrophobicContact CE1-CG 4.31Å; F263-L267 HydrophobicContact CZ-CD1 4.14Å; F263-L267 HydrophobicContact CZ-CD2 4.23Å; F263-L267 HydrophobicContact CZ-CG 4.32Å; F263-L267 PolarHBondContact O-N 3.16Å; F263-L267 VanDerWaalsContact O-N 3.09Å |
| 264 | L | 93.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 176.9 | -68.2 | 174.2 | 0 | 0 | 0 | 111.8 | L260 A261 F266 L267 V268 I282 F285 | L260-L264 HydrophobicContact CD1-CD1 4.42Å; L260-L264 HydrophobicContact CD1-CG 4.34Å; L260-L264 HydrophobicContact CG-CD1 4.22Å; L260-L264 WeakPolarHBondContact O-CG 3.45Å; L260-L264 PolarHBondContact O-N 2.88Å; A261-L264 PolarHBondContact O-N 2.89Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 2.71Å; L264-L267 WeakPolarHBondContact O-CB 3.2Å; L264-L267 PolarHBondContact O-N 3.03Å; L264-L267 VanDerWaalsContact O-N 3.12Å; L264-V268 PolarHBondContact O-N 2.94Å; L264-V268 VanDerWaalsContact O-N 3.12Å; L264-I282 HydrophobicContact CB-CD1 4.29Å; L264-I282 HydrophobicContact CB-CG1 4.25Å; L264-I282 HydrophobicContact CB-CG2 3.74Å; L264-F285 HydrophobicContact CD1-CD1 4.38Å; L264-F285 HydrophobicContact CD1-CE1 4.4Å |
| 265 | Q | 89.9 | Confident | 91.8 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 175.8 | -174.2 | 66.7 | 25.6 | 0 | 0 | 111.2 | W196 A261 I262 L267 V268 H269 I282 L286 | W196-Q265 HydrophobicContact CH2-CB 3.64Å; W196-Q265 HydrophobicContact CH2-CG 3.19Å; W196-Q265 HydrophobicContact CZ2-CG 3.61Å; W196-Q265 HydrophobicContact CZ3-CB 3.85Å; W196-Q265 HydrophobicContact CZ3-CG 3.72Å; A261-Q265 WeakPolarHBondContact O-CB 3.24Å; A261-Q265 PolarHBondContact O-N 3.16Å; I262-Q265 PolarHBondContact O-N 2.89Å; Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.06Å; Q265-V268 WeakPolarHBondContact O-CB 3.47Å; Q265-V268 PolarHBondContact O-N 3.24Å; Q265-H269 PolarHBondContact NE2-NE2 3.02Å; Q265-H269 PolarHBondContact O-CD2 3.34Å; Q265-H269 VanDerWaalsContact O-CD2 3.31Å; Q265-H269 PolarHBondContact O-N 2.81Å; Q265-I282 HydrophobicContact CB-CG2 4.11Å; Q265-L286 HydrophobicContact CB-CD2 3.89Å; Q265-L286 HydrophobicContact CG-CD2 3.75Å |
| 266 | F | 91.7 | Very high | 91.1 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 171.9 | 163.9 | -103.5 | 0 | 0 | 0 | 112.3 | W196 P198 I201 I262 F263 L264 V268 H269 Q270 | W196-F266 HydrophobicContact CE3-CB 4.04Å; W196-F266 HydrophobicContact CZ3-CB 4.1Å; P198-F266 HydrophobicContact CB-CE2 4.13Å; P198-F266 HydrophobicContact CB-CZ 3.96Å; P198-F266 HydrophobicContact CG-CE2 3.96Å; P198-F266 HydrophobicContact CG-CZ 3.99Å; I201-F266 HydrophobicContact CB-CD2 3.93Å; I201-F266 HydrophobicContact CB-CE2 4.36Å; I201-F266 HydrophobicContact CB-CG 4.21Å; I201-F266 HydrophobicContact CG1-CB 4.29Å; I201-F266 HydrophobicContact CG1-CD2 3.72Å; I201-F266 HydrophobicContact CG1-CE2 4.4Å; I201-F266 HydrophobicContact CG1-CG 4.23Å; I201-F266 HydrophobicContact CG2-CB 3.85Å; I201-F266 HydrophobicContact CG2-CD1 4.31Å; I201-F266 HydrophobicContact CG2-CD2 4.08Å; I201-F266 HydrophobicContact CG2-CG 3.82Å; I262-F266 WeakPolarHBondContact O-CB 3.46Å; I262-F266 PolarHBondContact O-N 3.24Å; F263-F266 HydrophobicContact CD2-CD1 4.44Å; F263-F266 HydrophobicContact CE2-CD1 4.49Å; F263-F266 WeakPolarHBondContact O-CB 3.27Å; F263-F266 PolarHBondContact O-N 3.39Å; L264-F266 VanDerWaalsContact C-N 3.28Å; L264-F266 PolarHBondContact O-N 2.71Å; F266-V268 VanDerWaalsContact C-N 3.28Å; F266-V268 PolarHBondContact O-N 3.36Å; F266-H269 CarbonylContact O-C 3.59Å; F266-H269 PolarHBondContact O-N 2.87Å; F266-H269 VanDerWaalsContact O-N 3.07Å; F266-Q270 HydrophobicContact CD1-CG 4.4Å; F266-Q270 HydrophobicContact CD2-CG 3.94Å; F266-Q270 HydrophobicContact CE1-CG 3.93Å; F266-Q270 HydrophobicContact CE2-CG 3.42Å; F266-Q270 VanDerWaalsContact CE2-CG 3.42Å; F266-Q270 VanDerWaalsContact CE2-NE2 3.31Å; F266-Q270 HydrophobicContact CG-CG 4.41Å; F266-Q270 HydrophobicContact CZ-CG 3.42Å; F266-Q270 VanDerWaalsContact CZ-CG 3.42Å; F266-Q270 WeakPolarHBondContact O-CG 3.21Å; F266-Q270 PolarHBondContact O-N 3.31Å |
| 267 | L | 91.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -33.6 | 175.8 | -64.1 | -179.4 | 0 | 0 | 0 | 112.9 | F263 L264 Q265 Q270 K271 V272 I273 | F263-L267 HydrophobicContact CD1-CD1 4.35Å; F263-L267 HydrophobicContact CE1-CD1 3.8Å; F263-L267 HydrophobicContact CE1-CG 4.31Å; F263-L267 HydrophobicContact CZ-CD1 4.14Å; F263-L267 HydrophobicContact CZ-CD2 4.23Å; F263-L267 HydrophobicContact CZ-CG 4.32Å; F263-L267 PolarHBondContact O-N 3.16Å; F263-L267 VanDerWaalsContact O-N 3.09Å; L264-L267 WeakPolarHBondContact O-CB 3.2Å; L264-L267 PolarHBondContact O-N 3.03Å; L264-L267 VanDerWaalsContact O-N 3.12Å; Q265-L267 VanDerWaalsContact C-N 3.35Å; Q265-L267 PolarHBondContact O-N 3.06Å; L267-Q270 PolarHBondContact O-N 3.42Å; L267-K271 PolarHBondContact O-N 3.22Å; L267-V272 HydrophobicContact CB-CB 4.32Å; L267-V272 HydrophobicContact CD2-CG2 4.47Å; L267-V272 PolarHBondContact O-N 3.48Å; L267-I273 HydrophobicContact CB-CD1 3.87Å; L267-I273 HydrophobicContact CB-CG1 4.16Å; L267-I273 HydrophobicContact CD1-CD1 4.37Å; L267-I273 PolarHBondContact O-N 3.34Å |
| 268 | V | 88.9 | Confident | 90.1 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 170.1 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | L264 Q265 F266 Q270 K271 I273 M279 I282 | L264-V268 PolarHBondContact O-N 2.94Å; L264-V268 VanDerWaalsContact O-N 3.12Å; Q265-V268 WeakPolarHBondContact O-CB 3.47Å; Q265-V268 PolarHBondContact O-N 3.24Å; F266-V268 VanDerWaalsContact C-N 3.28Å; F266-V268 PolarHBondContact O-N 3.36Å; V268-Q270 VanDerWaalsContact C-N 3.3Å; V268-Q270 PolarHBondContact O-N 3.21Å; V268-K271 PolarHBondContact O-N 3.46Å; V268-I273 HydrophobicContact CG2-CB 3.93Å; V268-I273 HydrophobicContact CG2-CD1 4.38Å; V268-I273 HydrophobicContact CG2-CG2 4.07Å; V268-M279 HydrophobicContact CG1-CB 4.39Å; V268-M279 HydrophobicContact CG1-CE 3.63Å; V268-M279 HydrophobicContact CG1-CG 3.74Å; V268-M279 HydrophobicContact CG1-SD 4.34Å; V268-M279 HydrophobicContact CG2-CG 4.25Å; V268-I282 HydrophobicContact CG2-CD1 3.7Å; V268-I282 HydrophobicContact CG2-CG2 4.33Å |
| 269 | H | 86.5 | Confident | 89.6 | Confident | 62 Ų | 62 | 58 Ų | 58 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 177.7 | -84.1 | -82.6 | 0 | 0 | 0 | 113.4 | W196 Q265 F266 K271 | W196-H269 HydrophobicContact CB-CB 3.95Å; W196-H269 AromaticContact CD1-CD2 3.88Å; W196-H269 AromaticContact CD1-CE1 3.51Å; W196-H269 AromaticContact CD1-ND1 3.77Å; W196-H269 AromaticContact CD1-NE2 3.6Å; W196-H269 HydrophobicContact CD2-CB 4.46Å; W196-H269 AromaticContact CD2-CD2 3.37Å; W196-H269 AromaticContact CD2-CG 3.84Å; W196-H269 AromaticContact CD2-NE2 3.74Å; W196-H269 AromaticContact CE2-CD2 3.58Å; W196-H269 AromaticContact CE2-NE2 3.47Å; W196-H269 AromaticContact CE3-CD2 3.8Å; W196-H269 HydrophobicContact CG-CB 4.2Å; W196-H269 AromaticContact CG-CD2 3.6Å; W196-H269 AromaticContact CG-CE1 3.89Å; W196-H269 AromaticContact CG-CG 3.59Å; W196-H269 AromaticContact CG-ND1 3.78Å; W196-H269 AromaticContact CG-NE2 3.82Å; W196-H269 AromaticContact NE1-CD2 3.84Å; W196-H269 AromaticContact NE1-CE1 3.65Å; W196-H269 AromaticContact NE1-NE2 3.34Å; W196-H269 PolarHBondContact NE1-NE2 3.07Å; Q265-H269 PolarHBondContact NE2-NE2 3.02Å; Q265-H269 PolarHBondContact O-CD2 3.34Å; Q265-H269 VanDerWaalsContact O-CD2 3.31Å; Q265-H269 PolarHBondContact O-N 2.81Å; F266-H269 CarbonylContact O-C 3.59Å; F266-H269 PolarHBondContact O-N 2.87Å; F266-H269 VanDerWaalsContact O-N 3.07Å; H269-K271 PolarHBondContact O-N 2.88Å |
| 270 | Q | 88.5 | Confident | 88.9 | Confident | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.5 | 173.6 | -61 | -48.8 | -60 | 0 | 0 | 113.6 | W196 F266 L267 V268 V272 | W196-Q270 PolarHBondContact O-NE2 2.88Å; F266-Q270 HydrophobicContact CD1-CG 4.4Å; F266-Q270 HydrophobicContact CD2-CG 3.94Å; F266-Q270 HydrophobicContact CE1-CG 3.93Å; F266-Q270 HydrophobicContact CE2-CG 3.42Å; F266-Q270 VanDerWaalsContact CE2-CG 3.42Å; F266-Q270 VanDerWaalsContact CE2-NE2 3.31Å; F266-Q270 HydrophobicContact CG-CG 4.41Å; F266-Q270 HydrophobicContact CZ-CG 3.42Å; F266-Q270 VanDerWaalsContact CZ-CG 3.42Å; F266-Q270 WeakPolarHBondContact O-CG 3.21Å; F266-Q270 PolarHBondContact O-N 3.31Å; L267-Q270 PolarHBondContact O-N 3.42Å; V268-Q270 VanDerWaalsContact C-N 3.3Å; V268-Q270 PolarHBondContact O-N 3.21Å; Q270-V272 HydrophobicContact CB-CG2 4.12Å; Q270-V272 PolarHBondContact O-N 2.94Å |
| 271 | K | 87.2 | Confident | 88.5 | Confident | 174 Ų | 174 | 59.8 Ų | 59.8 | 76% | 0.757 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 23.5 | -178.7 | -51.4 | 179.3 | -179 | 177.3 | 0 | 113.9 | L267 V268 H269 V274 | L267-K271 PolarHBondContact O-N 3.22Å; V268-K271 PolarHBondContact O-N 3.46Å; H269-K271 PolarHBondContact O-N 2.88Å; K271-V274 WeakPolarHBondContact O-CG1 3.41Å |
| 272 | V | 90.5 | Very high | 88.2 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 61% | 0.612 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -75.7 | -37.4 | 171.3 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | L267 Q270 | L267-V272 HydrophobicContact CB-CB 4.32Å; L267-V272 HydrophobicContact CD2-CG2 4.47Å; L267-V272 PolarHBondContact O-N 3.48Å; Q270-V272 HydrophobicContact CB-CG2 4.12Å; Q270-V272 PolarHBondContact O-N 2.94Å |
| 273 | I | 85.1 | Confident | 87.9 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 20% | 0.195 | 34% | 0.34 | C | S | . | . | trans | -107.2 | 119.4 | 174.5 | -58.2 | 174 | 0 | 0 | 0 | 108.1 | L267 V268 I282 | L267-I273 HydrophobicContact CB-CD1 3.87Å; L267-I273 HydrophobicContact CB-CG1 4.16Å; L267-I273 HydrophobicContact CD1-CD1 4.37Å; L267-I273 PolarHBondContact O-N 3.34Å; V268-I273 HydrophobicContact CG2-CB 3.93Å; V268-I273 HydrophobicContact CG2-CD1 4.38Å; V268-I273 HydrophobicContact CG2-CG2 4.07Å; I273-I282 HydrophobicContact CD1-CD1 3.64Å; I273-I282 HydrophobicContact CG2-CD1 4.11Å | ||
| 274 | V | 85.6 | Confident | 87.3 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 69% | 0.685 | 33% | 0.334 | S | S | * | . | trans | -122.4 | -7.1 | -172 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | K271 | K271-V274 WeakPolarHBondContact O-CG1 3.41Š| ||
| 275 | D | 88.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 62 Ų | 62 | 43% | 0.428 | 34% | 0.338 | S | S | . | . | trans | -76 | 129.2 | -178.6 | 167 | -108.9 | 0 | 0 | 0 | 112.3 | S277 S278 M279 | D275-S277 VanDerWaalsContact C-N 3.28Å; D275-S277 PolarHBondContact O-N 3.46Å; D275-S277 VanDerWaalsContact OD1-CB 3.29Å; D275-S277 WeakPolarHBondContact OD1-CB 3.35Å; D275-S277 PolarHBondContact OD1-N 3.47Å; D275-S278 PolarHBondContact O-N 2.87Å; D275-S278 WeakPolarHBondContact OD1-CB 3.46Å; D275-S278 PolarHBondContact OD1-N 2.94Å; D275-S278 PolarHBondContact OD1-OG 3.3Å; D275-M279 VanDerWaalsContact O-CG 3.27Å; D275-M279 WeakPolarHBondContact O-CG 3.36Å; D275-M279 PolarHBondContact O-N 3.19Å | ||
| 276 | C | 81.6 | Confident | 87.1 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | -176.4 | -164.3 | 0 | 0 | 0 | 0 | 111.3 | C32 M279 K280 | C32-C276 WeakPolarHBondContact CB-SG 3.49Å; C32-C276 WeakPolarHBondContact SG-CB 3.03Å; C32-C276 CovalentContact SG-SG 2.11Å; C32-C276 PolarHBondContact SG-SG 3.18Å; C276-M279 PolarHBondContact O-N 3.44Å; C276-K280 WeakPolarHBondContact O-CB 3.37Å; C276-K280 PolarHBondContact O-N 2.92Å |
| 277 | S | 85 | Confident | 86.9 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | -179.1 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | D275 K280 S281 | D275-S277 VanDerWaalsContact C-N 3.28Å; D275-S277 PolarHBondContact O-N 3.46Å; D275-S277 VanDerWaalsContact OD1-CB 3.29Å; D275-S277 WeakPolarHBondContact OD1-CB 3.35Å; D275-S277 PolarHBondContact OD1-N 3.47Å; S277-K280 PolarHBondContact O-N 3.41Å; S277-S281 WeakPolarHBondContact O-CB 3.33Å; S277-S281 PolarHBondContact O-N 3.13Å; S277-S281 PolarHBondContact O-OG 3.2Å |
| 278 | S | 86.6 | Confident | 86.7 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | D275 K280 S281 I282 | D275-S278 PolarHBondContact O-N 2.87Å; D275-S278 WeakPolarHBondContact OD1-CB 3.46Å; D275-S278 PolarHBondContact OD1-N 2.94Å; D275-S278 PolarHBondContact OD1-OG 3.3Å; S278-K280 VanDerWaalsContact C-N 3.33Å; S278-K280 PolarHBondContact O-N 3.37Å; S278-S281 PolarHBondContact O-N 3.34Å; S278-I282 WeakPolarHBondContact O-CB 3.49Å; S278-I282 WeakPolarHBondContact O-CD1 2.94Å; S278-I282 WeakPolarHBondContact O-CG1 3.36Å; S278-I282 PolarHBondContact O-N 3.44Å |
| 279 | M | 85.2 | Confident | 86.9 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 176.8 | -67.9 | 174.9 | 72.7 | 0 | 0 | 111.5 | F23 V268 D275 C276 I282 S283 | F23-M279 HydrophobicContact CE2-CE 4.41Å; F23-M279 HydrophobicContact CZ-CE 3.98Å; V268-M279 HydrophobicContact CG1-CB 4.39Å; V268-M279 HydrophobicContact CG1-CE 3.63Å; V268-M279 HydrophobicContact CG1-CG 3.74Å; V268-M279 HydrophobicContact CG1-SD 4.34Å; V268-M279 HydrophobicContact CG2-CG 4.25Å; D275-M279 VanDerWaalsContact O-CG 3.27Å; D275-M279 WeakPolarHBondContact O-CG 3.36Å; D275-M279 PolarHBondContact O-N 3.19Å; C276-M279 PolarHBondContact O-N 3.44Å; M279-I282 PolarHBondContact O-N 2.86Å; M279-S283 WeakPolarHBondContact O-CB 3.16Å; M279-S283 PolarHBondContact O-N 3.43Å |
| 280 | K | 82.9 | Confident | 87 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 32% | 0.317 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 176.3 | 166.3 | 161.7 | -179.9 | 164.7 | 0 | 111.7 | V33 V34 C276 S277 S278 S283 M284 | V33-K280 PolarHBondContact O-NZ 3.32Å; V34-K280 HydrophobicContact CB-CD 4.42Å; V34-K280 HydrophobicContact CG1-CD 4.26Å; V34-K280 VanDerWaalsContact CG1-CE 3.41Å; V34-K280 HydrophobicContact CG1-CG 4.25Å; V34-K280 HydrophobicContact CG2-CB 4.49Å; V34-K280 HydrophobicContact CG2-CD 3.36Å; V34-K280 HydrophobicContact CG2-CG 3.64Å; C276-K280 WeakPolarHBondContact O-CB 3.37Å; C276-K280 PolarHBondContact O-N 2.92Å; S277-K280 PolarHBondContact O-N 3.41Å; S278-K280 VanDerWaalsContact C-N 3.33Å; S278-K280 PolarHBondContact O-N 3.37Å; K280-S283 PolarHBondContact O-N 3.41Å; K280-M284 HydrophobicContact CD-CE 4.3Å; K280-M284 HydrophobicContact CG-CE 3.52Å; K280-M284 PolarHBondContact O-N 3.09Å |
| 281 | S | 87.3 | Confident | 87.1 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | -179.9 | -59 | 0 | 0 | 0 | 0 | 112.1 | S277 S278 M284 F285 | S277-S281 WeakPolarHBondContact O-CB 3.33Å; S277-S281 PolarHBondContact O-N 3.13Å; S277-S281 PolarHBondContact O-OG 3.2Å; S278-S281 PolarHBondContact O-N 3.34Å; S281-M284 PolarHBondContact O-N 3.37Å; S281-F285 VanDerWaalsContact O-CB 3.26Å; S281-F285 WeakPolarHBondContact O-CB 3.44Å; S281-F285 PolarHBondContact O-N 3Å |
| 282 | I | 88.9 | Confident | 87.3 | Confident | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 177.7 | -69.1 | 164.7 | 0 | 0 | 0 | 110.9 | L264 Q265 V268 I273 S278 M279 M284 F285 L286 | L264-I282 HydrophobicContact CB-CD1 4.29Å; L264-I282 HydrophobicContact CB-CG1 4.25Å; L264-I282 HydrophobicContact CB-CG2 3.74Å; Q265-I282 HydrophobicContact CB-CG2 4.11Å; V268-I282 HydrophobicContact CG2-CD1 3.7Å; V268-I282 HydrophobicContact CG2-CG2 4.33Å; I273-I282 HydrophobicContact CD1-CD1 3.64Å; I273-I282 HydrophobicContact CG2-CD1 4.11Å; S278-I282 WeakPolarHBondContact O-CB 3.49Å; S278-I282 WeakPolarHBondContact O-CD1 2.94Å; S278-I282 WeakPolarHBondContact O-CG1 3.36Å; S278-I282 PolarHBondContact O-N 3.44Å; M279-I282 PolarHBondContact O-N 2.86Å; I282-M284 VanDerWaalsContact C-N 3.33Å; I282-M284 PolarHBondContact O-N 2.93Å; I282-F285 PolarHBondContact O-N 3.36Å; I282-L286 WeakPolarHBondContact O-CB 3.49Å; I282-L286 PolarHBondContact O-N 2.89Å |
| 283 | S | 85.1 | Confident | 87.5 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.4 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | M279 K280 L286 Q287 | M279-S283 WeakPolarHBondContact O-CB 3.16Å; M279-S283 PolarHBondContact O-N 3.43Å; K280-S283 PolarHBondContact O-N 3.41Å; S283-L286 PolarHBondContact O-N 3Å; S283-Q287 PolarHBondContact O-N 3.12Å |
| 284 | M | 84.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 28% | 0.281 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.3 | -77.5 | -169.1 | -81 | 0 | 0 | 112.7 | V34 M38 K280 S281 I282 Q287 T288 | V34-M284 HydrophobicContact CG1-CE 3.76Å; V34-M284 HydrophobicContact CG1-CG 3.73Å; V34-M284 HydrophobicContact CG1-SD 3.31Å; V34-M284 WeakPolarHBondContact CG1-SD 3.4Å; M38-M284 HydrophobicContact CE-CB 3.55Å; M38-M284 HydrophobicContact CE-CG 3.6Å; M38-M284 WeakPolarHBondContact CE-O 3.37Å; M38-M284 HydrophobicContact CE-SD 4.39Å; K280-M284 HydrophobicContact CD-CE 4.3Å; K280-M284 HydrophobicContact CG-CE 3.52Å; K280-M284 PolarHBondContact O-N 3.09Å; S281-M284 PolarHBondContact O-N 3.37Å; I282-M284 VanDerWaalsContact C-N 3.33Å; I282-M284 PolarHBondContact O-N 2.93Å; M284-Q287 PolarHBondContact O-N 3.36Å; M284-T288 WeakPolarHBondContact O-CB 3.41Å; M284-T288 PolarHBondContact O-N 3.27Å; M284-T288 PolarHBondContact O-OG1 3.11Å |
| 285 | F | 90.1 | Very high | 88.3 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.8 | -178 | -119.4 | 0 | 0 | 0 | 111.1 | P257 L260 A261 L264 S281 I282 T289 | P257-F285 HydrophobicContact CB-CZ 4.2Å; L260-F285 HydrophobicContact CD2-CE1 4.47Å; L260-F285 HydrophobicContact CG-CE1 4.46Å; A261-F285 HydrophobicContact CB-CD1 3.43Å; A261-F285 VanDerWaalsContact CB-CD1 3.43Å; A261-F285 HydrophobicContact CB-CE1 3.64Å; A261-F285 HydrophobicContact CB-CG 4.31Å; L264-F285 HydrophobicContact CD1-CD1 4.38Å; L264-F285 HydrophobicContact CD1-CE1 4.4Å; S281-F285 VanDerWaalsContact O-CB 3.26Å; S281-F285 WeakPolarHBondContact O-CB 3.44Å; S281-F285 PolarHBondContact O-N 3Å; I282-F285 PolarHBondContact O-N 3.36Å; F285-T289 HydrophobicContact CD2-CG2 3.74Å; F285-T289 HydrophobicContact CE1-CG2 4.31Å; F285-T289 HydrophobicContact CE2-CG2 3.39Å; F285-T289 HydrophobicContact CG-CG2 4.33Å; F285-T289 HydrophobicContact CZ-CG2 3.72Å; F285-T289 WeakPolarHBondContact O-CB 3.44Å; F285-T289 VanDerWaalsContact O-CG2 3.26Å; F285-T289 WeakPolarHBondContact O-CG2 3.38Å; F285-T289 PolarHBondContact O-N 3.25Å; F285-T289 PolarHBondContact O-OG1 3.47Å |
| 286 | L | 89.1 | Confident | 88.6 | Confident | 27 Ų | 27 | 42 Ų | 42 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 175.2 | 174.8 | 62.1 | 0 | 0 | 0 | 111.8 | W196 A261 I262 Q265 I282 S283 T289 M290 | W196-L286 HydrophobicContact CH2-CD2 4.31Å; A261-L286 VanDerWaalsContact CB-CA 3.48Å; A261-L286 HydrophobicContact CB-CB 3.94Å; A261-L286 HydrophobicContact CB-CD1 3.94Å; I262-L286 HydrophobicContact CB-CD1 4.43Å; I262-L286 HydrophobicContact CG1-CD1 3.55Å; Q265-L286 HydrophobicContact CB-CD2 3.89Å; Q265-L286 HydrophobicContact CG-CD2 3.75Å; I282-L286 WeakPolarHBondContact O-CB 3.49Å; I282-L286 PolarHBondContact O-N 2.89Å; S283-L286 PolarHBondContact O-N 3Å; L286-T289 PolarHBondContact O-OG1 3.16Å; L286-M290 WeakPolarHBondContact O-CB 3.39Å; L286-M290 PolarHBondContact O-N 3.01Å |
| 287 | Q | 86.4 | Confident | 89.1 | Confident | 35 Ų | 35 | 39.4 Ų | 39.4 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | -178.1 | -165 | 163.2 | 6.3 | 0 | 0 | 111.1 | M38 E42 S283 M284 C291 | M38-Q287 HydrophobicContact CE-CB 4.32Å; M38-Q287 HydrophobicContact CG-CB 4.32Å; M38-Q287 HydrophobicContact CG-CG 3.88Å; M38-Q287 HydrophobicContact SD-CB 4.25Å; M38-Q287 HydrophobicContact SD-CG 4.15Å; E42-Q287 HydrophobicContact CG-CG 4.18Å; E42-Q287 VanDerWaalsContact OE1-CD 3.3Å; E42-Q287 WeakPolarHBondContact OE1-CG 3.48Å; E42-Q287 PolarHBondContact OE1-NE2 2.83Å; E42-Q287 PolarHBondContact OE2-NE2 2.73Å; E42-Q287 VanDerWaalsContact OE2-NE2 3.13Å; S283-Q287 PolarHBondContact O-N 3.12Å; M284-Q287 PolarHBondContact O-N 3.36Å; Q287-C291 PolarHBondContact O-N 3.47Å; Q287-C291 PolarHBondContact O-SG 3.42Å |
| 288 | T | 88.4 | Confident | 89.5 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 26% | 0.258 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | M38 M284 C291 L292 | M38-T288 WeakPolarHBondContact CE-OG1 3.39Å; M284-T288 WeakPolarHBondContact O-CB 3.41Å; M284-T288 PolarHBondContact O-N 3.27Å; M284-T288 PolarHBondContact O-OG1 3.11Å; T288-C291 WeakPolarHBondContact O-CB 3.37Å; T288-C291 PolarHBondContact O-N 3.43Å; T288-L292 HydrophobicContact CG2-CD1 4.01Å; T288-L292 WeakPolarHBondContact O-CG 3.44Å; T288-L292 PolarHBondContact O-N 2.8Å |
| 289 | T | 92.1 | Very high | 89.6 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | P257 S258 A261 F285 L286 C291 L292 S293 | P257-T289 HydrophobicContact CB-CG2 3.57Å; S258-T289 PolarHBondContact OG-O 3.33Å; A261-T289 WeakPolarHBondContact CB-OG1 3.39Å; F285-T289 HydrophobicContact CD2-CG2 3.74Å; F285-T289 HydrophobicContact CE1-CG2 4.31Å; F285-T289 HydrophobicContact CE2-CG2 3.39Å; F285-T289 HydrophobicContact CG-CG2 4.33Å; F285-T289 HydrophobicContact CZ-CG2 3.72Å; F285-T289 WeakPolarHBondContact O-CB 3.44Å; F285-T289 VanDerWaalsContact O-CG2 3.26Å; F285-T289 WeakPolarHBondContact O-CG2 3.38Å; F285-T289 PolarHBondContact O-N 3.25Å; F285-T289 PolarHBondContact O-OG1 3.47Å; L286-T289 PolarHBondContact O-OG1 3.16Å; T289-C291 VanDerWaalsContact C-N 3.29Å; T289-C291 PolarHBondContact O-N 3.13Å; T289-L292 CarbonylContact O-C 3.57Å; T289-L292 PolarHBondContact O-N 3.49Å; T289-L292 VanDerWaalsContact O-N 3.13Å; T289-S293 PolarHBondContact O-N 3.26Å |
| 290 | M | 89.7 | Confident | 89.6 | Confident | 40 Ų | 40 | 34.7 Ų | 34.7 | 20% | 0.197 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 173.4 | -171.1 | -179.2 | -125.3 | 0 | 0 | 111.4 | Y118 F119 L286 S293 | Y118-M290 HydrophobicContact CE1-CE 4.09Å; Y118-M290 HydrophobicContact CE1-SD 4.38Å; F119-M290 HydrophobicContact CE1-CE 3.56Å; F119-M290 HydrophobicContact CZ-CE 3.86Å; L286-M290 WeakPolarHBondContact O-CB 3.39Å; L286-M290 PolarHBondContact O-N 3.01Å; M290-S293 PolarHBondContact O-N 2.96Å; M290-S293 PolarHBondContact O-OG 3.47Å |
| 291 | C | 89.9 | Confident | 89.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -49.1 | 173.8 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | I45 Y46 Q287 T288 T289 S293 N294 | I45-C291 HydrophobicContact CB-CB 4.39Å; I45-C291 HydrophobicContact CD1-CB 4.15Å; I45-C291 HydrophobicContact CG2-CB 3.88Å; Y46-C291 HydrophobicContact CE1-CB 3.81Å; Y46-C291 PolarHBondContact OH-SG 2.98Å; Q287-C291 PolarHBondContact O-N 3.47Å; Q287-C291 PolarHBondContact O-SG 3.42Å; T288-C291 WeakPolarHBondContact O-CB 3.37Å; T288-C291 PolarHBondContact O-N 3.43Å; T289-C291 VanDerWaalsContact C-N 3.29Å; T289-C291 PolarHBondContact O-N 3.13Å; C291-S293 VanDerWaalsContact C-N 3.28Å; C291-S293 PolarHBondContact O-N 3.04Å; C291-N294 WeakPolarHBondContact O-CB 3.44Å; C291-N294 PolarHBondContact O-N 3.33Å |
| 292 | L | 91.4 | Very high | 89 | Confident | 77 Ų | 77 | 31.2 Ų | 31.2 | 40% | 0.403 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.7 | -31.3 | -179.7 | -70.1 | 172.6 | 0 | 0 | 0 | 112.2 | I45 T288 T289 N294 I295 | I45-L292 HydrophobicContact CD1-CD2 4.27Å; T288-L292 HydrophobicContact CG2-CD1 4.01Å; T288-L292 WeakPolarHBondContact O-CG 3.44Å; T288-L292 PolarHBondContact O-N 2.8Å; T289-L292 CarbonylContact O-C 3.57Å; T289-L292 PolarHBondContact O-N 3.49Å; T289-L292 VanDerWaalsContact O-N 3.13Å; L292-N294 PolarHBondContact O-N 2.73Å; L292-I295 VanDerWaalsContact O-CB 3.27Å; L292-I295 WeakPolarHBondContact O-CB 3.17Å; L292-I295 WeakPolarHBondContact O-CG2 3.25Å; L292-I295 PolarHBondContact O-N 3.07Å |
| 293 | S | 94.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -30.5 | 176.8 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | S258 T289 M290 C291 I295 T296 | S258-S293 WeakPolarHBondContact OG-CB 3.37Å; T289-S293 PolarHBondContact O-N 3.26Å; M290-S293 PolarHBondContact O-N 2.96Å; M290-S293 PolarHBondContact O-OG 3.47Å; C291-S293 VanDerWaalsContact C-N 3.28Å; C291-S293 PolarHBondContact O-N 3.04Å; S293-I295 PolarHBondContact O-N 3.01Å; S293-I295 VanDerWaalsContact O-N 3.16Å; S293-T296 WeakPolarHBondContact O-CB 3.43Å; S293-T296 WeakPolarHBondContact O-CG2 3.32Å; S293-T296 PolarHBondContact O-N 2.96Å; S293-T296 PolarHBondContact O-OG1 3.22Å |
| 294 | N | 94.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9.8 | 177.5 | -62.1 | -15.8 | 0 | 0 | 0 | 113.3 | Y46 I49 L88 Y118 C291 L292 T296 C297 | Y46-N294 WeakPolarHBondContact CE1-ND2 3.43Å; I49-N294 HydrophobicContact CD1-CB 4.22Å; I49-N294 HydrophobicContact CG2-CB 4.15Å; I49-N294 WeakPolarHBondContact CG2-O 3.41Å; L88-N294 HydrophobicContact CD2-CB 4.08Å; Y118-N294 WeakPolarHBondContact CE2-ND2 3.2Å; Y118-N294 PolarHBondContact OH-ND2 3.46Å; Y118-N294 VanDerWaalsContact OH-ND2 3.16Å; Y118-N294 PolarHBondContact OH-OD1 3.41Å; C291-N294 WeakPolarHBondContact O-CB 3.44Å; C291-N294 PolarHBondContact O-N 3.33Å; L292-N294 PolarHBondContact O-N 2.73Å; N294-T296 PolarHBondContact O-N 3.13Å; N294-C297 PolarHBondContact O-N 3.36Å |
| 295 | I | 94.3 | Very high | 86.5 | Confident | 67 Ų | 67 | 33.4 Ų | 33.4 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.6 | 172.8 | -155 | 171.1 | 0 | 0 | 0 | 111.8 | I49 P254 L292 S293 C297 C298 L299 | I49-I295 HydrophobicContact CD1-CB 4.34Å; P254-I295 HydrophobicContact CB-CG2 4.19Å; P254-I295 HydrophobicContact CG-CG2 3.91Å; L292-I295 VanDerWaalsContact O-CB 3.27Å; L292-I295 WeakPolarHBondContact O-CB 3.17Å; L292-I295 WeakPolarHBondContact O-CG2 3.25Å; L292-I295 PolarHBondContact O-N 3.07Å; S293-I295 PolarHBondContact O-N 3.01Å; S293-I295 VanDerWaalsContact O-N 3.16Å; I295-C297 VanDerWaalsContact C-N 3.27Å; I295-C297 PolarHBondContact O-N 3.36Å; I295-C298 WeakPolarHBondContact O-CB 3.39Å; I295-C298 PolarHBondContact O-N 3.42Å; I295-L299 HydrophobicContact CG2-CD1 4.01Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 3.22Å |
| 296 | T | 93.1 | Very high | 85.5 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.2 | -44 | 176.4 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | C250 P254 F255 S293 N294 C298 L299 D300 | C250-T296 WeakPolarHBondContact O-CG2 3.04Å; P254-T296 HydrophobicContact CB-CG2 3.92Å; P254-T296 HydrophobicContact CG-CG2 3.9Å; F255-T296 HydrophobicContact CD2-CG2 4.09Å; F255-T296 HydrophobicContact CE2-CG2 3.57Å; F255-T296 HydrophobicContact CZ-CG2 4.01Å; S293-T296 WeakPolarHBondContact O-CB 3.43Å; S293-T296 WeakPolarHBondContact O-CG2 3.32Å; S293-T296 PolarHBondContact O-N 2.96Å; S293-T296 PolarHBondContact O-OG1 3.22Å; N294-T296 PolarHBondContact O-N 3.13Å; T296-C298 PolarHBondContact O-N 3.06Å; T296-C298 VanDerWaalsContact O-N 3.16Å; T296-L299 PolarHBondContact O-N 2.68Å; T296-D300 WeakPolarHBondContact O-CB 3.42Å; T296-D300 VanDerWaalsContact O-CG 3.27Å; T296-D300 PolarHBondContact O-N 2.89Å |
| 297 | C | 92.8 | Very high | 84.4 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -32.1 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 113.6 | N57 D85 L89 N294 I295 G301 | N57-C297 PolarHBondContact ND2-O 3Å; D85-C297 HydrophobicContact CB-CB 3.95Å; D85-C297 PolarHBondContact OD1-SG 3.43Å; L89-C297 HydrophobicContact CD1-CB 4.47Å; L89-C297 HydrophobicContact CD2-CB 4.4Å; L89-C297 HydrophobicContact CG-CB 4.46Å; N294-C297 PolarHBondContact O-N 3.36Å; I295-C297 VanDerWaalsContact C-N 3.27Å; I295-C297 PolarHBondContact O-N 3.36Å; C297-G301 PolarHBondContact O-N 3.48Å |
| 298 | C | 92.5 | Very high | 83.1 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 8% | 0.081 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.1 | -41.4 | 175.6 | -61 | 0 | 0 | 0 | 0 | 111.6 | I49 V52 I295 T296 L302 | I49-C298 PolarHBondContact O-SG 3.46Å; I49-C298 VanDerWaalsContact O-SG 3.41Å; V52-C298 HydrophobicContact CG1-CB 4.07Å; I295-C298 WeakPolarHBondContact O-CB 3.39Å; I295-C298 PolarHBondContact O-N 3.42Å; T296-C298 PolarHBondContact O-N 3.06Å; T296-C298 VanDerWaalsContact O-N 3.16Å; C298-L302 VanDerWaalsContact O-CB 3.27Å; C298-L302 WeakPolarHBondContact O-CB 3.39Å; C298-L302 PolarHBondContact O-N 3.24Å |
| 299 | L | 89 | Confident | 81.9 | Confident | 47 Ų | 47 | 37 Ų | 37 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | -179.7 | -65.3 | 172.1 | 0 | 0 | 0 | 111.2 | C250 I295 T296 L302 C303 | C250-L299 HydrophobicContact CB-CB 4.26Å; C250-L299 HydrophobicContact CB-CD1 3.85Å; I295-L299 HydrophobicContact CG2-CD1 4.01Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 3.22Å; T296-L299 PolarHBondContact O-N 2.68Å; L299-L302 PolarHBondContact O-N 2.83Å; L299-C303 PolarHBondContact O-N 2.85Å; L299-C303 PolarHBondContact O-SG 3.12Å |
| 300 | D | 86.3 | Confident | 80.6 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -53.6 | 174.4 | -69.5 | -26.6 | 0 | 0 | 0 | 110 | L81 T296 L302 C303 Y304 | L81-D300 HydrophobicContact CD2-CB 3.97Å; T296-D300 WeakPolarHBondContact O-CB 3.42Å; T296-D300 VanDerWaalsContact O-CG 3.27Å; T296-D300 PolarHBondContact O-N 2.89Å; D300-L302 VanDerWaalsContact C-N 3.3Å; D300-L302 PolarHBondContact O-N 3.03Å; D300-C303 PolarHBondContact O-N 2.98Å; D300-Y304 VanDerWaalsContact C-CD2 3.48Å; D300-Y304 HydrophobicContact CB-CE2 3.96Å; D300-Y304 WeakPolarHBondContact O-CD2 3.38Å; D300-Y304 WeakPolarHBondContact O-CE2 3.38Å; D300-Y304 VanDerWaalsContact O-CG 3.23Å; D300-Y304 PolarHBondContact O-N 3.5Å; D300-Y304 VanDerWaalsContact O-N 3.09Å |
| 301 | G | 78 | Confident | 79.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.5 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | C297 Y304 Y305 | C297-G301 PolarHBondContact O-N 3.48Å; G301-Y304 PolarHBondContact O-N 3.12Å; G301-Y305 PolarHBondContact O-N 2.87Å |
| 302 | L | 77.9 | Confident | 77.8 | Confident | 60 Ų | 60 | 44.2 Ų | 44.2 | 31% | 0.314 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.8 | -44.1 | 178 | -176.4 | 70.2 | 0 | 0 | 0 | 111.9 | F56 C298 L299 D300 Y304 Y305 F306 | F56-L302 HydrophobicContact CD2-CB 4.41Å; F56-L302 HydrophobicContact CE1-CD1 4.07Å; F56-L302 HydrophobicContact CE2-CB 4.29Å; F56-L302 HydrophobicContact CE2-CD1 3.83Å; F56-L302 HydrophobicContact CZ-CD1 3.53Å; C298-L302 VanDerWaalsContact O-CB 3.27Å; C298-L302 WeakPolarHBondContact O-CB 3.39Å; C298-L302 PolarHBondContact O-N 3.24Å; L299-L302 PolarHBondContact O-N 2.83Å; D300-L302 VanDerWaalsContact C-N 3.3Å; D300-L302 PolarHBondContact O-N 3.03Å; L302-Y304 PolarHBondContact O-N 3.47Å; L302-Y305 PolarHBondContact O-N 3.29Å; L302-F306 HydrophobicContact CD1-CD2 4.19Å; L302-F306 HydrophobicContact CD1-CE2 3.55Å; L302-F306 HydrophobicContact CD1-CZ 4.2Å; L302-F306 HydrophobicContact CD2-CE2 4.18Å; L302-F306 HydrophobicContact CG-CD2 4.04Å; L302-F306 HydrophobicContact CG-CE2 3.64Å; L302-F306 WeakPolarHBondContact O-CD2 3.46Å; L302-F306 PolarHBondContact O-N 3.12Å |
| 303 | C | 72.1 | Confident | 76.6 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58 | -37.7 | 175.5 | -71.2 | 0 | 0 | 0 | 0 | 111 | L299 D300 I307 | L299-C303 PolarHBondContact O-N 2.85Å; L299-C303 PolarHBondContact O-SG 3.12Å; D300-C303 PolarHBondContact O-N 2.98Å; C303-I307 WeakPolarHBondContact O-CD1 3.33Å; C303-I307 WeakPolarHBondContact O-CG1 3.26Å; C303-I307 PolarHBondContact O-N 3.27Å |
| 304 | Y | 67.3 | Low | 75 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.1 | -39.8 | 177.5 | -61.1 | -35.4 | 0 | 0 | 0 | 113.8 | Y64 M78 L81 D300 G301 L302 F306 I307 A308 | Y64-Y304 WeakPolarHBondContact OH-CB 2.97Å; M78-Y304 HydrophobicContact CB-CD1 4.21Å; M78-Y304 HydrophobicContact CB-CE1 3.94Å; M78-Y304 HydrophobicContact CG-CD1 3.83Å; M78-Y304 HydrophobicContact CG-CE1 3.33Å; M78-Y304 HydrophobicContact SD-CD1 3.44Å; M78-Y304 WeakPolarHBondContact SD-CD1 3.5Å; M78-Y304 HydrophobicContact SD-CE1 3.44Å; M78-Y304 WeakPolarHBondContact SD-CE1 3.31Å; L81-Y304 HydrophobicContact CD2-CE2 3.91Å; L81-Y304 WeakPolarHBondContact CD2-OH 3.26Å; L81-Y304 HydrophobicContact CG-CE2 4.41Å; D300-Y304 VanDerWaalsContact C-CD2 3.48Å; D300-Y304 HydrophobicContact CB-CE2 3.96Å; D300-Y304 WeakPolarHBondContact O-CD2 3.38Å; D300-Y304 WeakPolarHBondContact O-CE2 3.38Å; D300-Y304 VanDerWaalsContact O-CG 3.23Å; D300-Y304 PolarHBondContact O-N 3.5Å; D300-Y304 VanDerWaalsContact O-N 3.09Å; G301-Y304 PolarHBondContact O-N 3.12Å; L302-Y304 PolarHBondContact O-N 3.47Å; Y304-F306 VanDerWaalsContact C-N 3.32Å; Y304-F306 PolarHBondContact O-N 2.87Å; Y304-I307 PolarHBondContact O-N 3.07Å; Y304-A308 VanDerWaalsContact O-CB 3.25Å; Y304-A308 WeakPolarHBondContact O-CB 3.19Å; Y304-A308 PolarHBondContact O-N 3.31Å |
| 305 | Y | 67.1 | Low | 73.4 | Confident | 106 Ų | 106 | 52.4 Ų | 52.4 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 175.9 | 178.4 | -93.2 | 0 | 0 | 0 | 111.3 | F56 G301 L302 I307 A308 D309 | F56-Y305 HydrophobicContact CD1-CD2 4.3Å; F56-Y305 HydrophobicContact CD1-CG 4.16Å; F56-Y305 HydrophobicContact CE1-CD1 4.48Å; F56-Y305 HydrophobicContact CE1-CD2 4.42Å; F56-Y305 HydrophobicContact CE1-CG 4.12Å; G301-Y305 PolarHBondContact O-N 2.87Å; L302-Y305 PolarHBondContact O-N 3.29Å; Y305-I307 VanDerWaalsContact C-N 3.34Å; Y305-I307 PolarHBondContact O-N 2.98Å; Y305-A308 PolarHBondContact O-N 3.41Å; Y305-D309 HydrophobicContact CE1-CB 4.4Å; Y305-D309 VanDerWaalsContact O-CB 3.25Å; Y305-D309 WeakPolarHBondContact O-CB 3.39Å; Y305-D309 PolarHBondContact O-N 3.39Å |
| 306 | F | 69.3 | Low | 72 | Confident | 121 Ų | 121 | 57.1 Ų | 57.1 | 53% | 0.531 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 178.1 | -74.4 | -62.1 | 0 | 0 | 0 | 113 | L302 Y304 E310 | L302-F306 HydrophobicContact CD1-CD2 4.19Å; L302-F306 HydrophobicContact CD1-CE2 3.55Å; L302-F306 HydrophobicContact CD1-CZ 4.2Å; L302-F306 HydrophobicContact CD2-CE2 4.18Å; L302-F306 HydrophobicContact CG-CD2 4.04Å; L302-F306 HydrophobicContact CG-CE2 3.64Å; L302-F306 WeakPolarHBondContact O-CD2 3.46Å; L302-F306 PolarHBondContact O-N 3.12Å; Y304-F306 VanDerWaalsContact C-N 3.32Å; Y304-F306 PolarHBondContact O-N 2.87Å; F306-E310 WeakPolarHBondContact O-CG 3.45Å; F306-E310 PolarHBondContact O-N 3.2Å |
| 307 | I | 66.4 | Low | 70.6 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 45% | 0.451 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 175.1 | -65.3 | 167.3 | 0 | 0 | 0 | 110.6 | C303 Y304 Y305 V311 | C303-I307 WeakPolarHBondContact O-CD1 3.33Å; C303-I307 WeakPolarHBondContact O-CG1 3.26Å; C303-I307 PolarHBondContact O-N 3.27Å; Y304-I307 PolarHBondContact O-N 3.07Å; Y305-I307 VanDerWaalsContact C-N 3.34Å; Y305-I307 PolarHBondContact O-N 2.98Å; I307-V311 WeakPolarHBondContact O-CG2 3.22Å; I307-V311 PolarHBondContact O-N 3.45Å |
| 308 | A | 59.6 | Low | 69 | Low | 6 Ų | 6 | 67.5 Ų | 67.5 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V63 Y64 Y304 Y305 E310 V311 I312 | V63-A308 HydrophobicContact CG1-CB 4.1Å; Y64-A308 HydrophobicContact CE1-CB 4.45Å; Y304-A308 VanDerWaalsContact O-CB 3.25Å; Y304-A308 WeakPolarHBondContact O-CB 3.19Å; Y304-A308 PolarHBondContact O-N 3.31Å; Y305-A308 PolarHBondContact O-N 3.41Å; A308-E310 PolarHBondContact O-N 3.42Å; A308-V311 PolarHBondContact O-N 3.49Å; A308-I312 WeakPolarHBondContact O-CB 3.44Å; A308-I312 VanDerWaalsContact O-CG1 3.24Å; A308-I312 WeakPolarHBondContact O-CG1 3.45Å; A308-I312 PolarHBondContact O-N 3.41Å |
| 309 | D | 63 | Low | 67.6 | Low | 39 Ų | 39 | 72 Ų | 72 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.8 | -178.4 | 55.4 | 0 | 0 | 0 | 111.3 | Y305 V311 I312 K313 | Y305-D309 HydrophobicContact CE1-CB 4.4Å; Y305-D309 VanDerWaalsContact O-CB 3.25Å; Y305-D309 WeakPolarHBondContact O-CB 3.39Å; Y305-D309 PolarHBondContact O-N 3.39Å; D309-V311 PolarHBondContact O-N 2.79Å; D309-I312 PolarHBondContact O-N 3Å; D309-K313 WeakPolarHBondContact O-CB 3.37Å; D309-K313 WeakPolarHBondContact O-CG 3.45Å; D309-K313 PolarHBondContact O-N 2.86Å; D309-K313 WeakPolarHBondContact OD2-CE 3.27Å; D309-K313 IonicContact OD2-NZ 3.94Å; D309-K313 PolarHBondContact OD2-NZ 2.92Å |
| 310 | E | 64.7 | Low | 66.4 | Low | 105 Ų | 105 | 76 Ų | 76 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.7 | -72.4 | -58.5 | 127.3 | 0 | 0 | 112.2 | F306 A308 K313 L314 | F306-E310 WeakPolarHBondContact O-CG 3.45Å; F306-E310 PolarHBondContact O-N 3.2Å; A308-E310 PolarHBondContact O-N 3.42Å; E310-K313 IonicContact OE1-NZ 2.77Å; E310-K313 PolarHBondContact OE1-NZ 3.07Å; E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.29Å; E310-L314 PolarHBondContact O-N 3.23Å |
| 311 | V | 58.3 | Low | 65.1 | Low | 51 Ų | 51 | 78.8 Ų | 78.8 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L68 I307 A308 D309 L314 I315 | L68-V311 HydrophobicContact CD2-CG1 3.99Å; I307-V311 WeakPolarHBondContact O-CG2 3.22Å; I307-V311 PolarHBondContact O-N 3.45Å; A308-V311 PolarHBondContact O-N 3.49Å; D309-V311 PolarHBondContact O-N 2.79Å; V311-L314 PolarHBondContact O-N 2.95Å; V311-I315 HydrophobicContact CG1-CD1 3.91Å; V311-I315 VanDerWaalsContact O-CG1 3.3Å; V311-I315 WeakPolarHBondContact O-CG1 3.47Å; V311-I315 PolarHBondContact O-N 3.5Å |
| 312 | I | 61.9 | Low | 64 | Low | 44 Ų | 44 | 84.7 Ų | 84.7 | 23% | 0.226 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 178 | -72.8 | 166.8 | 0 | 0 | 0 | 110.2 | V63 A308 D309 L314 I315 Y316 | V63-I312 HydrophobicContact CG1-CD1 3.93Å; V63-I312 HydrophobicContact CG1-CG1 4.25Å; V63-I312 HydrophobicContact CG2-CD1 3.83Å; A308-I312 WeakPolarHBondContact O-CB 3.44Å; A308-I312 VanDerWaalsContact O-CG1 3.24Å; A308-I312 WeakPolarHBondContact O-CG1 3.45Å; A308-I312 PolarHBondContact O-N 3.41Å; D309-I312 PolarHBondContact O-N 3Å; I312-L314 VanDerWaalsContact C-N 3.27Å; I312-L314 PolarHBondContact O-N 3.49Å; I312-I315 PolarHBondContact O-N 3.49Å; I312-I315 VanDerWaalsContact O-N 3.09Å; I312-Y316 HydrophobicContact CG2-CD2 3.51Å; I312-Y316 HydrophobicContact CG2-CE2 3.46Å; I312-Y316 VanDerWaalsContact CG2-CE2 3.46Å; I312-Y316 VanDerWaalsContact O-CD2 3.28Å; I312-Y316 WeakPolarHBondContact O-CD2 3.36Å; I312-Y316 PolarHBondContact O-N 2.84Å |
| 313 | K | 65.8 | Low | 62.8 | Low | 101 Ų | 101 | 84.7 Ų | 84.7 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56 | -42.7 | 174.5 | -74.2 | 172.6 | -168.8 | 155.2 | 0 | 111.8 | D309 E310 Y316 L317 | D309-K313 WeakPolarHBondContact O-CB 3.37Å; D309-K313 WeakPolarHBondContact O-CG 3.45Å; D309-K313 PolarHBondContact O-N 2.86Å; D309-K313 WeakPolarHBondContact OD2-CE 3.27Å; D309-K313 IonicContact OD2-NZ 3.94Å; D309-K313 PolarHBondContact OD2-NZ 2.92Å; E310-K313 IonicContact OE1-NZ 2.77Å; E310-K313 PolarHBondContact OE1-NZ 3.07Å; K313-Y316 PolarHBondContact O-N 2.77Å; K313-L317 WeakPolarHBondContact O-CB 3.32Å; K313-L317 PolarHBondContact O-N 3.34Å |
| 314 | L | 61 | Low | 61.6 | Low | 99 Ų | 99 | 85.4 Ų | 85.4 | 52% | 0.518 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.4 | -71.8 | 170.1 | 0 | 0 | 0 | 112.4 | E310 V311 I312 L317 Q318 | E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.29Å; E310-L314 PolarHBondContact O-N 3.23Å; V311-L314 PolarHBondContact O-N 2.95Å; I312-L314 VanDerWaalsContact C-N 3.27Å; I312-L314 PolarHBondContact O-N 3.49Å; L314-L317 PolarHBondContact O-N 3.42Å; L314-Q318 WeakPolarHBondContact O-CB 3.27Å; L314-Q318 VanDerWaalsContact O-CG 3.32Å; L314-Q318 WeakPolarHBondContact O-CG 3.36Å; L314-Q318 PolarHBondContact O-N 2.91Å |
| 315 | I | 61.6 | Low | 60.9 | Low | 56 Ų | 56 | 89 Ų | 89 | 29% | 0.287 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 175.6 | -69.1 | 165.9 | 0 | 0 | 0 | 110.8 | V311 I312 L317 Q318 L319 | V311-I315 HydrophobicContact CG1-CD1 3.91Å; V311-I315 VanDerWaalsContact O-CG1 3.3Å; V311-I315 WeakPolarHBondContact O-CG1 3.47Å; V311-I315 PolarHBondContact O-N 3.5Å; I312-I315 PolarHBondContact O-N 3.49Å; I312-I315 VanDerWaalsContact O-N 3.09Å; I315-L317 VanDerWaalsContact C-N 3.34Å; I315-L317 PolarHBondContact O-N 2.73Å; I315-Q318 PolarHBondContact O-N 3.23Å; I315-L319 HydrophobicContact CG2-CD1 3.86Å; I315-L319 HydrophobicContact CG2-CG 4.47Å; I315-L319 WeakPolarHBondContact O-CB 3.34Å; I315-L319 WeakPolarHBondContact O-CG 3.42Å; I315-L319 PolarHBondContact O-N 3.29Å |
| 316 | Y | 64.6 | Low | 60.1 | Low | 165 Ų | 165 | 91.6 Ų | 91.6 | 65% | 0.647 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 175 | -86.6 | -76.3 | 0 | 0 | 0 | 111.8 | I312 K313 L319 H320 | I312-Y316 HydrophobicContact CG2-CD2 3.51Å; I312-Y316 HydrophobicContact CG2-CE2 3.46Å; I312-Y316 VanDerWaalsContact CG2-CE2 3.46Å; I312-Y316 VanDerWaalsContact O-CD2 3.28Å; I312-Y316 WeakPolarHBondContact O-CD2 3.36Å; I312-Y316 PolarHBondContact O-N 2.84Å; K313-Y316 PolarHBondContact O-N 2.77Å; Y316-L319 PolarHBondContact O-N 3.29Å; Y316-H320 WeakPolarHBondContact O-CB 3.42Å; Y316-H320 PolarHBondContact O-N 2.94Å |
| 317 | L | 63.1 | Low | 59.1 | Low | 103 Ų | 103 | 92.6 Ų | 92.6 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.1 | -162.1 | 79.4 | 0 | 0 | 0 | 111.2 | K313 L314 I315 H320 I321 | K313-L317 WeakPolarHBondContact O-CB 3.32Å; K313-L317 PolarHBondContact O-N 3.34Å; L314-L317 PolarHBondContact O-N 3.42Å; I315-L317 VanDerWaalsContact C-N 3.34Å; I315-L317 PolarHBondContact O-N 2.73Å; L317-H320 PolarHBondContact O-N 3.46Å; L317-I321 HydrophobicContact CD2-CD1 4.39Å; L317-I321 HydrophobicContact CG-CD1 4.07Å; L317-I321 WeakPolarHBondContact O-CB 3.21Å; L317-I321 WeakPolarHBondContact O-CD1 3.28Å; L317-I321 WeakPolarHBondContact O-CG1 3.32Å; L317-I321 PolarHBondContact O-N 3.33Å |
| 318 | Q | 59.4 | Low | 58 | Low | 124 Ų | 124 | 96.6 Ų | 96.6 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 174.8 | -77.7 | 179.1 | -7.8 | 0 | 0 | 112.2 | L314 I315 I321 L322 | L314-Q318 WeakPolarHBondContact O-CB 3.27Å; L314-Q318 VanDerWaalsContact O-CG 3.32Å; L314-Q318 WeakPolarHBondContact O-CG 3.36Å; L314-Q318 PolarHBondContact O-N 2.91Å; I315-Q318 PolarHBondContact O-N 3.23Å; Q318-I321 PolarHBondContact O-N 3.43Å; Q318-L322 VanDerWaalsContact O-CB 3.28Å; Q318-L322 WeakPolarHBondContact O-CB 3.31Å; Q318-L322 WeakPolarHBondContact O-CD1 3.21Å; Q318-L322 VanDerWaalsContact O-CG 3.32Å; Q318-L322 WeakPolarHBondContact O-CG 3.46Å; Q318-L322 PolarHBondContact O-N 3.22Å |
| 319 | L | 62.2 | Low | 57.5 | Low | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66 | -37.2 | 176 | -75.4 | 166.1 | 0 | 0 | 0 | 112 | I315 Y316 G323 | I315-L319 HydrophobicContact CG2-CD1 3.86Å; I315-L319 HydrophobicContact CG2-CG 4.47Å; I315-L319 WeakPolarHBondContact O-CB 3.34Å; I315-L319 WeakPolarHBondContact O-CG 3.42Å; I315-L319 PolarHBondContact O-N 3.29Å; Y316-L319 PolarHBondContact O-N 3.29Å; L319-G323 PolarHBondContact O-N 3.02Å |
| 320 | H | 65.5 | Low | 56.7 | Low | 131 Ų | 131 | 112.7 Ų | 112.7 | 61% | 0.606 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.3 | -43.7 | 174.8 | -169 | -74.5 | 0 | 0 | 0 | 111.5 | Y316 L317 G323 D324 | Y316-H320 WeakPolarHBondContact O-CB 3.42Å; Y316-H320 PolarHBondContact O-N 2.94Å; L317-H320 PolarHBondContact O-N 3.46Å; H320-G323 PolarHBondContact O-N 2.8Å; H320-D324 PolarHBondContact O-N 2.11Å; H320-D324 VanDerWaalsContact O-N 3.08Å |
| 321 | I | 58.3 | Low | 55.5 | Low | 78 Ų | 78 | 113.2 Ų | 113.2 | 40% | 0.4 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -39.6 | 175.9 | -68.1 | 164.8 | 0 | 0 | 0 | 111.4 | L317 Q318 G323 D324 F327 | L317-I321 HydrophobicContact CD2-CD1 4.39Å; L317-I321 HydrophobicContact CG-CD1 4.07Å; L317-I321 WeakPolarHBondContact O-CB 3.21Å; L317-I321 WeakPolarHBondContact O-CD1 3.28Å; L317-I321 WeakPolarHBondContact O-CG1 3.32Å; L317-I321 PolarHBondContact O-N 3.33Å; Q318-I321 PolarHBondContact O-N 3.43Å; I321-G323 VanDerWaalsContact C-N 3.34Å; I321-D324 PolarHBondContact O-N 3.46Å; I321-F327 HydrophobicContact CG2-CD2 4.4Å |
| 322 | L | 54.3 | Low | 54.9 | Low | 123 Ų | 123 | 116.8 Ų | 116.8 | 64% | 0.644 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.8 | -23.1 | 176.8 | -77.1 | 161.1 | 0 | 0 | 0 | 113.2 | Q318 | Q318-L322 VanDerWaalsContact O-CB 3.28Å; Q318-L322 WeakPolarHBondContact O-CB 3.31Å; Q318-L322 WeakPolarHBondContact O-CD1 3.21Å; Q318-L322 VanDerWaalsContact O-CG 3.32Å; Q318-L322 WeakPolarHBondContact O-CG 3.46Å; Q318-L322 PolarHBondContact O-N 3.22Å |
| 323 | G | 52.7 | Low | 54 | Low | 60 Ų | 60 | 126.1 Ų | 126.1 | 62% | 0.619 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.1 | -10.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L319 H320 I321 P325 | L319-G323 PolarHBondContact O-N 3.02Å; H320-G323 PolarHBondContact O-N 2.8Å; I321-G323 VanDerWaalsContact C-N 3.34Å; G323-P325 WeakPolarHBondContact O-CD 3.29Å |
| 324 | D | 46.6 | Very low | 53.4 | Low | 67 Ų | 67 | 127.4 Ų | 127.4 | 36% | 0.358 | 65% | 0.649 | S | S | . | * | trans | -76.7 | 116.3 | -178.1 | -145.6 | -30.2 | 0 | 0 | 0 | 110.4 | H320 I321 M326 F327 | H320-D324 PolarHBondContact O-N 2.11Å; H320-D324 VanDerWaalsContact O-N 3.08Å; I321-D324 PolarHBondContact O-N 3.46Å; D324-M326 PolarHBondContact O-N 3.27Å; D324-F327 PolarHBondContact O-N 2.79Å | ||
| 325 | P | 54 | Low | 53 | Low | 96 Ų | 96 | 128.9 Ų | 128.9 | 62% | 0.623 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -18.9 | -176.4 | 20 | -30.5 | 0 | 0 | 0 | 113.8 | G323 F327 | G323-P325 WeakPolarHBondContact O-CD 3.29Å; P325-F327 VanDerWaalsContact C-N 3.34Å; P325-F327 PolarHBondContact O-N 2.76Å |
| 326 | M | 50.6 | Low | 52.6 | Low | 159 Ų | 159 | 132.9 Ų | 132.9 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -28.2 | 173.9 | -90.4 | -137.3 | -59.5 | 0 | 0 | 114.3 | D324 | D324-M326 PolarHBondContact O-N 3.27Š|
| 327 | F | 47.1 | Very low | 51.8 | Low | 143 Ų | 143 | 131.1 Ų | 131.1 | 63% | 0.627 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -80 | -24.3 | -177.3 | -146.2 | -93.5 | 0 | 0 | 0 | 112.5 | I321 D324 P325 L329 | I321-F327 HydrophobicContact CG2-CD2 4.4Å; D324-F327 PolarHBondContact O-N 2.79Å; P325-F327 VanDerWaalsContact C-N 3.34Å; P325-F327 PolarHBondContact O-N 2.76Å; F327-L329 VanDerWaalsContact C-N 3.26Å; F327-L329 PolarHBondContact O-N 2.82Å |
| 328 | K | 43.6 | Very low | 51.1 | Low | 172 Ų | 172 | 132.8 Ų | 132.8 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -70.1 | -17.5 | 175.2 | -80.3 | -175.1 | 178.1 | 177.6 | 0 | 114 | ||
| 329 | L | 49.5 | Very low | 50.6 | Low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -87.9 | -3.5 | -179.5 | -101.5 | 86.6 | 0 | 0 | 0 | 114.7 | F327 | F327-L329 VanDerWaalsContact C-N 3.26Å; F327-L329 PolarHBondContact O-N 2.82Å |
| 330 | R | 46.3 | Very low | 49.8 | Very low | 222 Ų | 222 | 135.3 Ų | 135.3 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | -110.4 | 24 | -172.9 | -152.1 | 176 | -122.8 | -142.8 | -0.6 | 114.9 | P332 | R330-P332 WeakPolarHBondContact O-CD 3.4Š| ||
| 331 | T | 38.6 | Very low | 48.6 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | -100.7 | 106.5 | 165 | 44.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 332 | P | 45.5 | Very low | 47.7 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -70.7 | 131.2 | 168.2 | -1.1 | 18.1 | 0 | 0 | 0 | 108.1 | R330 | R330-P332 WeakPolarHBondContact O-CD 3.4Š| ||
| 333 | I | 44.1 | Very low | 47.1 | Very low | 241 Ų | 241 | 142 Ų | 142 | 100% | 1.236 | 75% | 0.745 | S | S | * | * | trans | -63.5 | 0 | 171.1 | -64.2 | 169.1 | 0 | 0 | 0 | 109.9 |
Retrieved 333 of 333 residues in 135.4 ms
(Link to these results)