| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 27.9 | Very low | 29.8 | Very low | 245 Ų | 245 | 143.7 Ų | 143.7 | 100% | 1.207 | 73% | 0.73 | S | S | * | * | 0 | 139.8 | 0 | -79.4 | 171.9 | 163 | 0 | 0 | 108.4 | |||||
| 2 | Y | 22.7 | Very low | 30.7 | Very low | 230 Ų | 230 | 140.3 Ų | 140.3 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -89.7 | 141.4 | -167 | -84.5 | -102.2 | 0 | 0 | 0 | 112.7 | ||||
| 3 | L | 28.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 53% | 0.529 | 71% | 0.708 | S | S | . | * | trans | -87.9 | 110 | 167 | -74 | 164.6 | 0 | 0 | 0 | 109.1 | Y5 F19 | L3-Y5 HydrophobicContact CB-CD2 4.1Å; L3-Y5 HydrophobicContact CB-CE2 4.24Å; L3-Y5 HydrophobicContact CD1-CE2 4.42Å; L3-Y5 HydrophobicContact CD2-CE2 3.94Å; L3-Y5 HydrophobicContact CG-CE2 4.43Å; L3-Y5 PolarHBondContact O-N 2.96Å; L3-F19 HydrophobicContact CD1-CE2 4.25Å; L3-F19 HydrophobicContact CD1-CZ 4.2Å | ||
| 4 | C | 25.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | -90.6 | 85.4 | 171.8 | -70.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | Y | 32.7 | Very low | 33.6 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 45% | 0.451 | 68% | 0.675 | S | S | . | * | trans | -95.7 | 112.9 | 165.7 | -75.7 | -74.4 | 0 | 0 | 0 | 110.2 | L3 C7 F19 | L3-Y5 HydrophobicContact CB-CD2 4.1Å; L3-Y5 HydrophobicContact CB-CE2 4.24Å; L3-Y5 HydrophobicContact CD1-CE2 4.42Å; L3-Y5 HydrophobicContact CD2-CE2 3.94Å; L3-Y5 HydrophobicContact CG-CE2 4.43Å; L3-Y5 PolarHBondContact O-N 2.96Å; Y5-C7 PolarHBondContact O-N 3.13Å; Y5-F19 HydrophobicContact CD2-CD2 4.41Å; Y5-F19 HydrophobicContact CD2-CE2 4.17Å | ||
| 6 | T | 32.8 | Very low | 34.3 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | trans | -77.8 | 105.6 | 168.5 | 35.1 | 0 | 0 | 0 | 0 | 109.9 | F8 | T6-F8 VanDerWaalsContact CB-CE2 3.49Å; T6-F8 HydrophobicContact CG2-CE2 4.1Å; T6-F8 PolarHBondContact O-N 3.41Å | ||
| 7 | C | 30.6 | Very low | 35.1 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 51% | 0.514 | 67% | 0.673 | S | S | . | * | trans | -74 | 93.1 | 174.1 | -152.9 | 0 | 0 | 0 | 0 | 108.9 | Y5 C15 | Y5-C7 PolarHBondContact O-N 3.13Å; C7-C15 HydrophobicContact CB-CB 4.14Å; C7-C15 WeakPolarHBondContact CB-SG 3.35Å; C7-C15 WeakPolarHBondContact SG-CB 3.35Å; C7-C15 CovalentContact SG-SG 2.07Å; C7-C15 PolarHBondContact SG-SG 3.22Å | ||
| 8 | F | 31.7 | Very low | 35.8 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 69% | 0.689 | 65% | 0.648 | S | S | * | * | trans | -89.8 | 118.1 | 176.7 | -81 | -76.8 | 0 | 0 | 0 | 111.3 | T6 | T6-F8 VanDerWaalsContact CB-CE2 3.49Å; T6-F8 HydrophobicContact CG2-CE2 4.1Å; T6-F8 PolarHBondContact O-N 3.41Å | ||
| 9 | F | 29.7 | Very low | 36.4 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 83% | 0.825 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 47.8 | 72.7 | 158.6 | -66 | -83.9 | 0 | 0 | 0 | 118.9 | ||
| 10 | L | 32.3 | Very low | 37.1 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 51% | 0.513 | 63% | 0.629 | S | S | . | * | trans | -134.3 | 96.4 | 149.8 | -92.8 | 162.3 | 0 | 0 | 0 | 108.7 | S12 Y13 | L10-S12 PolarHBondContact O-N 3.05Å; L10-Y13 PolarHBondContact O-N 3.15Å | ||
| 11 | P | 33.6 | Very low | 37.9 | Very low | 137 Ų | 137 | 121.8 Ų | 121.8 | 89% | 0.89 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 1.5 | -175.1 | 28.7 | -35.5 | 0 | 0 | 0 | 114.5 | ||
| 12 | S | 40.4 | Very low | 38.9 | Very low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.1 | 5.6 | -173.7 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | L10 | L10-S12 PolarHBondContact O-N 3.05Š|
| 13 | Y | 45.9 | Very low | 39.9 | Very low | 117 Ų | 117 | 108.7 Ų | 108.7 | 46% | 0.459 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -123.5 | 127.9 | -179 | -129.3 | -94.7 | 0 | 0 | 0 | 111.9 | L10 C15 L18 | L10-Y13 PolarHBondContact O-N 3.15Å; Y13-C15 PolarHBondContact O-N 3.17Å; Y13-L18 HydrophobicContact CD1-CB 4.37Å; Y13-L18 HydrophobicContact CD1-CD1 4.31Å; Y13-L18 HydrophobicContact CE1-CD1 4.25Å |
| 14 | D | 49.6 | Very low | 41.1 | Very low | 98 Ų | 98 | 107.9 Ų | 107.9 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | trans | -66.5 | 104.9 | 173.3 | -177.5 | -1.6 | 0 | 0 | 0 | 109.5 | K16 R17 L18 | D14-K16 PolarHBondContact O-N 3.06Å; D14-K16 WeakPolarHBondContact OD1-CB 3.37Å; D14-K16 PolarHBondContact OD1-N 3.31Å; D14-R17 HydrophobicContact CB-CB 4.26Å; D14-R17 WeakPolarHBondContact O-CB 3.22Å; D14-R17 PolarHBondContact O-N 2.07Å; D14-L18 PolarHBondContact O-N 3.46Å | ||
| 15 | C | 39.7 | Very low | 42.2 | Very low | 59 Ų | 59 | 111.2 Ų | 111.2 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -53.1 | -26.8 | 178.2 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | C7 Y13 F19 | C7-C15 HydrophobicContact CB-CB 4.14Å; C7-C15 WeakPolarHBondContact CB-SG 3.35Å; C7-C15 WeakPolarHBondContact SG-CB 3.35Å; C7-C15 CovalentContact SG-SG 2.07Å; C7-C15 PolarHBondContact SG-SG 3.22Å; Y13-C15 PolarHBondContact O-N 3.17Å; C15-F19 WeakPolarHBondContact O-CB 3.18Å; C15-F19 PolarHBondContact O-N 3.04Å |
| 16 | K | 45 | Very low | 43 | Very low | 159 Ų | 159 | 108.3 Ų | 108.3 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.7 | -36.6 | 175.8 | -166.2 | -179.3 | -179.7 | -179.9 | 0 | 112.7 | D14 T20 | D14-K16 PolarHBondContact O-N 3.06Å; D14-K16 WeakPolarHBondContact OD1-CB 3.37Å; D14-K16 PolarHBondContact OD1-N 3.31Å; K16-T20 PolarHBondContact O-N 3.36Å; K16-T20 VanDerWaalsContact O-N 3.16Å; K16-T20 PolarHBondContact O-OG1 3.36Å |
| 17 | R | 48 | Very low | 43.5 | Very low | 167 Ų | 167 | 107.6 Ų | 107.6 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.5 | -43.4 | 177 | -170.7 | 174.5 | -179.4 | 173.6 | -0.3 | 110.9 | D14 F19 T20 I21 | D14-R17 HydrophobicContact CB-CB 4.26Å; D14-R17 WeakPolarHBondContact O-CB 3.22Å; D14-R17 PolarHBondContact O-N 2.07Å; R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 2.67Å; R17-T20 WeakPolarHBondContact O-CB 3.35Å; R17-T20 PolarHBondContact O-N 3.06Å; R17-I21 HydrophobicContact CG-CD1 4.4Å; R17-I21 WeakPolarHBondContact O-CG1 3.16Å; R17-I21 PolarHBondContact O-N 2.95Å; R17-I21 VanDerWaalsContact O-N 3.08Å |
| 18 | L | 47.1 | Very low | 44.2 | Very low | 42 Ų | 42 | 109.1 Ų | 109.1 | 22% | 0.22 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -59.8 | -44.4 | 174.5 | -164 | 76.4 | 0 | 0 | 0 | 111.3 | Y13 D14 T20 I21 V22 F40 | Y13-L18 HydrophobicContact CD1-CB 4.37Å; Y13-L18 HydrophobicContact CD1-CD1 4.31Å; Y13-L18 HydrophobicContact CE1-CD1 4.25Å; D14-L18 PolarHBondContact O-N 3.46Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.41Å; L18-I21 PolarHBondContact O-N 2.91Å; L18-V22 WeakPolarHBondContact O-CG2 3.04Å; L18-V22 PolarHBondContact O-N 3.46Å; L18-F40 HydrophobicContact CD1-CD2 4.28Å; L18-F40 HydrophobicContact CD1-CE2 3.94Å; L18-F40 HydrophobicContact CD1-CZ 4.43Å |
| 19 | F | 47.3 | Very low | 44.4 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.3 | -41.8 | 175.7 | -178.5 | -99.6 | 0 | 0 | 0 | 112.7 | L3 Y5 C15 R17 R23 | L3-F19 HydrophobicContact CD1-CE2 4.25Å; L3-F19 HydrophobicContact CD1-CZ 4.2Å; Y5-F19 HydrophobicContact CD2-CD2 4.41Å; Y5-F19 HydrophobicContact CD2-CE2 4.17Å; C15-F19 WeakPolarHBondContact O-CB 3.18Å; C15-F19 PolarHBondContact O-N 3.04Å; R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 2.67Å; F19-R23 WeakPolarHBondContact O-CB 3.29Å; F19-R23 PolarHBondContact O-N 3.49Å |
| 20 | T | 50.3 | Low | 45 | Very low | 89 Ų | 89 | 109.5 Ų | 109.5 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -42.7 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | K16 R17 L18 A24 | K16-T20 PolarHBondContact O-N 3.36Å; K16-T20 VanDerWaalsContact O-N 3.16Å; K16-T20 PolarHBondContact O-OG1 3.36Å; R17-T20 WeakPolarHBondContact O-CB 3.35Å; R17-T20 PolarHBondContact O-N 3.06Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.41Å; T20-A24 PolarHBondContact O-N 3.06Å |
| 21 | I | 54.4 | Low | 45.3 | Very low | 60 Ų | 60 | 109.9 Ų | 109.9 | 31% | 0.308 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.7 | -55.1 | 177.3 | -68.5 | 166.6 | 0 | 0 | 0 | 110.2 | R17 L18 R23 A24 Y25 | R17-I21 HydrophobicContact CG-CD1 4.4Å; R17-I21 WeakPolarHBondContact O-CG1 3.16Å; R17-I21 PolarHBondContact O-N 2.95Å; R17-I21 VanDerWaalsContact O-N 3.08Å; L18-I21 PolarHBondContact O-N 2.91Å; I21-R23 PolarHBondContact O-N 3.47Å; I21-A24 WeakPolarHBondContact O-CB 3.33Å; I21-A24 PolarHBondContact O-N 3.47Å; I21-Y25 HydrophobicContact CG2-CD2 3.84Å; I21-Y25 HydrophobicContact CG2-CE2 3.83Å; I21-Y25 WeakPolarHBondContact O-CD2 3.32Å; I21-Y25 PolarHBondContact O-N 3.04Å |
| 22 | V | 48.1 | Very low | 45.1 | Very low | 20 Ų | 20 | 108.5 Ų | 108.5 | 12% | 0.121 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -57.9 | -38.7 | -178.9 | 173 | 0 | 0 | 0 | 0 | 111.5 | L18 A24 Y25 I26 L38 | L18-V22 WeakPolarHBondContact O-CG2 3.04Å; L18-V22 PolarHBondContact O-N 3.46Å; V22-A24 VanDerWaalsContact C-N 3.29Å; V22-A24 PolarHBondContact O-N 3.3Å; V22-Y25 PolarHBondContact O-N 2.9Å; V22-I26 HydrophobicContact CG1-CD1 3.59Å; V22-I26 HydrophobicContact CG1-CG1 4.33Å; V22-I26 WeakPolarHBondContact O-CG1 3.48Å; V22-I26 PolarHBondContact O-N 3.29Å; V22-I26 VanDerWaalsContact O-N 3.12Å; V22-L38 HydrophobicContact CB-CD1 4.45Å; V22-L38 HydrophobicContact CG1-CD1 3.69Å; V22-L38 HydrophobicContact CG2-CD1 3.83Å |
| 23 | R | 44.8 | Very low | 45.1 | Very low | 180 Ų | 180 | 111.1 Ų | 111.1 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.9 | -25.4 | 175.4 | -172.8 | 174.6 | -178.1 | 174.8 | 1.4 | 114.1 | F19 I21 | F19-R23 WeakPolarHBondContact O-CB 3.29Å; F19-R23 PolarHBondContact O-N 3.49Å; I21-R23 PolarHBondContact O-N 3.47Å |
| 24 | A | 54.1 | Low | 44.7 | Very low | 84 Ų | 84 | 109.5 Ų | 109.5 | 69% | 0.694 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.3 | -30.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | T20 I21 V22 | T20-A24 PolarHBondContact O-N 3.06Å; I21-A24 WeakPolarHBondContact O-CB 3.33Å; I21-A24 PolarHBondContact O-N 3.47Å; V22-A24 VanDerWaalsContact C-N 3.29Å; V22-A24 PolarHBondContact O-N 3.3Å |
| 25 | Y | 48.7 | Very low | 44.2 | Very low | 194 Ų | 194 | 110.5 Ų | 110.5 | 76% | 0.761 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -85.5 | -19 | 179.2 | -78.1 | -79.2 | 0 | 0 | 0 | 114.4 | I21 V22 P27 | I21-Y25 HydrophobicContact CG2-CD2 3.84Å; I21-Y25 HydrophobicContact CG2-CE2 3.83Å; I21-Y25 WeakPolarHBondContact O-CD2 3.32Å; I21-Y25 PolarHBondContact O-N 3.04Å; V22-Y25 PolarHBondContact O-N 2.9Å; Y25-P27 VanDerWaalsContact O-CD 3.32Å; Y25-P27 WeakPolarHBondContact O-CD 3.39Å |
| 26 | I | 48.9 | Very low | 44.2 | Very low | 54 Ų | 54 | 111.8 Ų | 111.8 | 28% | 0.277 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -89.6 | 111.4 | 176.7 | -64.9 | 173.8 | 0 | 0 | 0 | 109.5 | V22 A28 L30 | V22-I26 HydrophobicContact CG1-CD1 3.59Å; V22-I26 HydrophobicContact CG1-CG1 4.33Å; V22-I26 WeakPolarHBondContact O-CG1 3.48Å; V22-I26 PolarHBondContact O-N 3.29Å; V22-I26 VanDerWaalsContact O-N 3.12Å; I26-A28 PolarHBondContact O-N 3.24Å; I26-L30 HydrophobicContact CG2-CD1 4.01Å |
| 27 | P | 44 | Very low | 44 | Very low | 95 Ų | 95 | 108.1 Ų | 108.1 | 62% | 0.617 | 57% | 0.571 | S | S | * | * | trans | -60.8 | 136 | 172.2 | 25.1 | -33 | 0 | 0 | 0 | 110.1 | Y25 R29 | Y25-P27 VanDerWaalsContact O-CD 3.32Å; Y25-P27 WeakPolarHBondContact O-CD 3.39Å; P27-R29 PolarHBondContact O-N 3.05Å | ||
| 28 | A | 44 | Very low | 43.4 | Very low | 109 Ų | 109 | 103 Ų | 103 | 90% | 0.901 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 33.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | I26 | I26-A28 PolarHBondContact O-N 3.24Š|
| 29 | R | 37.1 | Very low | 43 | Very low | 242 Ų | 242 | 106.6 Ų | 106.6 | 91% | 0.913 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.2 | 11.9 | -176.7 | -73.5 | -166.7 | 172.6 | -154.3 | 0.1 | 115 | P27 S31 | P27-R29 PolarHBondContact O-N 3.05Å; R29-S31 PolarHBondContact O-N 2.91Å |
| 30 | L | 41.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 108.3 Ų | 108.3 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | trans | -81.9 | 97.9 | 172.3 | -85.7 | 156.5 | 0 | 0 | 0 | 110.9 | I26 C32 | I26-L30 HydrophobicContact CG2-CD1 4.01Å; L30-C32 PolarHBondContact O-N 2.89Å | ||
| 31 | S | 39.7 | Very low | 42 | Very low | 105 Ų | 105 | 108.1 Ų | 108.1 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | trans | -64.7 | 113.5 | 166.4 | 39.5 | 0 | 0 | 0 | 0 | 109.9 | R29 N33 | R29-S31 PolarHBondContact O-N 2.91Å; S31-N33 PolarHBondContact O-N 3.47Å | ||
| 32 | C | 29.6 | Very low | 41 | Very low | 108 Ų | 108 | 110.5 Ų | 110.5 | 73% | 0.73 | 60% | 0.598 | S | S | * | * | trans | -60.8 | 108.7 | -176.6 | -75.3 | 0 | 0 | 0 | 0 | 112.7 | L30 | L30-C32 PolarHBondContact O-N 2.89Š| ||
| 33 | N | 39 | Very low | 40.5 | Very low | 157 Ų | 157 | 114.2 Ų | 114.2 | 84% | 0.84 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -125.5 | -6.6 | 164.1 | -92.5 | -15.2 | 0 | 0 | 0 | 113.7 | S31 | S31-N33 PolarHBondContact O-N 3.47Š|
| 34 | Q | 39.2 | Very low | 40.1 | Very low | 83 Ų | 83 | 110.6 Ų | 110.6 | 39% | 0.388 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -145.1 | 147.2 | 179.7 | -63.4 | -170.7 | 28.2 | 0 | 0 | 112.3 | S111 | Q34-S111 VanDerWaalsContact OE1-C 3.24Å; Q34-S111 VanDerWaalsContact OE1-CB 3.3Å; Q34-S111 PolarHBondContact OE1-O 3.33Å; Q34-S111 VanDerWaalsContact OE1-O 3.04Å; Q34-S111 PolarHBondContact OE1-OG 3.07Å |
| 35 | P | 37.5 | Very low | 39 | Very low | 120 Ų | 120 | 111.6 Ų | 111.6 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | trans | -73.9 | 147.7 | 172.4 | 31.9 | -34.6 | 0 | 0 | 0 | 111.3 | ||||
| 36 | M | 40.8 | Very low | 38.4 | Very low | 85 Ų | 85 | 106.2 Ų | 106.2 | 42% | 0.419 | 62% | 0.618 | S | S | . | * | trans | -127.7 | 135 | 176.1 | -177.1 | -178.9 | -73.8 | 0 | 0 | 109.3 | ||||
| 37 | V | 39.2 | Very low | 37.8 | Very low | 82 Ų | 82 | 109 Ų | 109 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | trans | -111.2 | 127.1 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | F39 | V37-F39 HydrophobicContact CB-CE2 4.27Å; V37-F39 HydrophobicContact CG1-CD2 4.14Å; V37-F39 HydrophobicContact CG1-CE1 4.31Å; V37-F39 HydrophobicContact CG1-CE2 3.54Å; V37-F39 HydrophobicContact CG1-CZ 3.64Å | ||
| 38 | L | 36.9 | Very low | 37.3 | Very low | 60 Ų | 60 | 111.7 Ų | 111.7 | 31% | 0.314 | 65% | 0.651 | S | S | . | * | trans | -108 | 122.6 | 179.5 | -75.2 | 154.6 | 0 | 0 | 0 | 109 | V22 F40 I108 | V22-L38 HydrophobicContact CB-CD1 4.45Å; V22-L38 HydrophobicContact CG1-CD1 3.69Å; V22-L38 HydrophobicContact CG2-CD1 3.83Å; L38-F40 HydrophobicContact CB-CE2 4.14Å; L38-I108 HydrophobicContact CD2-CD1 3.81Å; L38-I108 HydrophobicContact CD2-CG1 4.42Å | ||
| 39 | F | 38 | Very low | 36.6 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | trans | -106.6 | 140.8 | 174.5 | -67.1 | -80.7 | 0 | 0 | 0 | 110.2 | V37 P106 | V37-F39 HydrophobicContact CB-CE2 4.27Å; V37-F39 HydrophobicContact CG1-CD2 4.14Å; V37-F39 HydrophobicContact CG1-CE1 4.31Å; V37-F39 HydrophobicContact CG1-CE2 3.54Å; V37-F39 HydrophobicContact CG1-CZ 3.64Å; F39-P106 HydrophobicContact CB-CB 4.45Å; F39-P106 VanDerWaalsContact O-CB 3.31Å; F39-P106 WeakPolarHBondContact O-CB 3.06Å | ||
| 40 | F | 36.9 | Very low | 36.6 | Very low | 120 Ų | 120 | 104.5 Ų | 104.5 | 53% | 0.526 | 61% | 0.607 | S | S | . | * | trans | -130.2 | 135.1 | 173.9 | -64.6 | -86.3 | 0 | 0 | 0 | 108.7 | L18 L38 | L18-F40 HydrophobicContact CD1-CD2 4.28Å; L18-F40 HydrophobicContact CD1-CE2 3.94Å; L18-F40 HydrophobicContact CD1-CZ 4.43Å; L38-F40 HydrophobicContact CB-CE2 4.14Å | ||
| 41 | T | 40.1 | Very low | 36.1 | Very low | 85 Ų | 85 | 106.3 Ų | 106.3 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | trans | -119.1 | 141.2 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 42 | S | 34 | Very low | 35.7 | Very low | 109 Ų | 109 | 107.8 Ų | 107.8 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | trans | -120.1 | 134.4 | 178.6 | 62 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 43 | P | 36.8 | Very low | 35.8 | Very low | 98 Ų | 98 | 109.6 Ų | 109.6 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | trans | -79.1 | 146.1 | 178.4 | 31.3 | -34.1 | 0 | 0 | 0 | 113 | S54 | P43-S54 WeakPolarHBondContact CB-OG 3.5Å; P43-S54 WeakPolarHBondContact CG-OG 3.2Å | ||
| 44 | S | 37.2 | Very low | 35.3 | Very low | 105 Ų | 105 | 104.7 Ų | 104.7 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | trans | -113.9 | 106.2 | -175.9 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 45 | S | 31.4 | Very low | 34.8 | Very low | 104 Ų | 104 | 110.3 Ų | 110.3 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | trans | 24.8 | 115.8 | 145.9 | 60.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 46 | S | 35.9 | Very low | 34.5 | Very low | 81 Ų | 81 | 109.8 Ų | 109.8 | 57% | 0.566 | 61% | 0.606 | S | S | * | * | trans | -148.1 | 103.8 | 142.8 | 50 | 0 | 0 | 0 | 0 | 113 | S50 | S46-S50 PolarHBondContact N-OG 3.01Å; S46-S50 WeakPolarHBondContact O-CB 3.48Å; S46-S50 PolarHBondContact O-N 2.84Å | ||
| 47 | S | 35.7 | Very low | 33.8 | Very low | 112 Ų | 112 | 109.4 Ų | 109.4 | 78% | 0.783 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 32.9 | 98.6 | 163.4 | 55.4 | 0 | 0 | 0 | 0 | 118.9 | Y49 | S47-Y49 PolarHBondContact O-N 3.16Š|
| 48 | L | 33.8 | Very low | 33.2 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.7 | -41 | 167.2 | -80 | 159.5 | 0 | 0 | 0 | 118.6 | ||
| 49 | Y | 29.3 | Very low | 32.7 | Very low | 167 Ų | 167 | 114.3 Ų | 114.3 | 66% | 0.655 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -18.6 | 177.7 | -109.6 | -103.4 | 0 | 0 | 0 | 114 | S47 L51 L52 F53 | S47-Y49 PolarHBondContact O-N 3.16Å; Y49-L51 PolarHBondContact O-N 2.96Å; Y49-L51 VanDerWaalsContact O-N 3.13Å; Y49-L52 PolarHBondContact O-N 3.04Å; Y49-F53 HydrophobicContact CD1-CD2 4.06Å; Y49-F53 HydrophobicContact CD1-CE2 4.39Å; Y49-F53 HydrophobicContact CE1-CD2 4.38Å; Y49-F53 HydrophobicContact CE1-CE2 4.25Å; Y49-F53 PolarHBondContact O-N 2.89Å |
| 50 | S | 36.6 | Very low | 32.3 | Very low | 34 Ų | 34 | 110.2 Ų | 110.2 | 24% | 0.238 | 62% | 0.619 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | -16.9 | 166.5 | 169.7 | 0 | 0 | 0 | 0 | 113.4 | S46 L52 | S46-S50 PolarHBondContact N-OG 3.01Å; S46-S50 WeakPolarHBondContact O-CB 3.48Å; S46-S50 PolarHBondContact O-N 2.84Å; S50-L52 VanDerWaalsContact C-N 3.32Å |
| 51 | L | 30.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 108.4 Ų | 108.4 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -16.9 | 171.8 | -95.3 | 150.8 | 0 | 0 | 0 | 114.5 | Y49 | Y49-L51 PolarHBondContact O-N 2.96Å; Y49-L51 VanDerWaalsContact O-N 3.13Å |
| 52 | L | 31.7 | Very low | 31.3 | Very low | 135 Ų | 135 | 108.3 Ų | 108.3 | 71% | 0.707 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | -23.7 | -175.7 | -85 | 160 | 0 | 0 | 0 | 114.4 | Y49 S50 | Y49-L52 PolarHBondContact O-N 3.04Å; S50-L52 VanDerWaalsContact C-N 3.32Å |
| 53 | F | 31 | Very low | 31.1 | Very low | 147 Ų | 147 | 107.6 Ų | 107.6 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -110 | 12.1 | -173.9 | -89.7 | -93.2 | 0 | 0 | 0 | 115.9 | Y49 K55 | Y49-F53 HydrophobicContact CD1-CD2 4.06Å; Y49-F53 HydrophobicContact CD1-CE2 4.39Å; Y49-F53 HydrophobicContact CE1-CD2 4.38Å; Y49-F53 HydrophobicContact CE1-CE2 4.25Å; Y49-F53 PolarHBondContact O-N 2.89Å; F53-K55 PolarHBondContact O-N 2.75Å |
| 54 | S | 28.9 | Very low | 30.9 | Very low | 54 Ų | 54 | 109.4 Ų | 109.4 | 38% | 0.378 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | 7.8 | 178.2 | -176.2 | 0 | 0 | 0 | 0 | 115.4 | P43 | P43-S54 WeakPolarHBondContact CB-OG 3.5Å; P43-S54 WeakPolarHBondContact CG-OG 3.2Å |
| 55 | K | 29.6 | Very low | 30.8 | Very low | 201 Ų | 201 | 106 Ų | 106 | 87% | 0.874 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 30.2 | -171.8 | -70.5 | -170.7 | 175.8 | -177.9 | 0 | 114.2 | F53 | F53-K55 PolarHBondContact O-N 2.75Š|
| 56 | V | 29.4 | Very low | 31 | Very low | 109 Ų | 109 | 107 Ų | 107 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | trans | -143.3 | 96.6 | 180 | -169.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 57 | S | 27.5 | Very low | 31 | Very low | 77 Ų | 77 | 106.1 Ų | 106.1 | 54% | 0.538 | 59% | 0.589 | S | S | . | * | -162.8 | -125.6 | 129.3 | -79.5 | 0 | 0 | 0 | 0 | 110.8 | D103 | S57-D103 VanDerWaalsContact CA-OD1 3.23Å; S57-D103 WeakPolarHBondContact CA-OD1 3.4Å; S57-D103 WeakPolarHBondContact CB-OD1 3.19Å; S57-D103 WeakPolarHBondContact CB-OD2 3.01Å; S57-D103 PolarHBondContact N-OD1 3.37Å | |||
| 58 | I | 26.4 | Very low | 31 | Very low | 106 Ų | 106 | 105.4 Ų | 105.4 | 54% | 0.544 | 58% | 0.575 | S | S | . | * | trans | -145 | 113.1 | -131.3 | -78.9 | 155.5 | 0 | 0 | 0 | 113.4 | D103 | I58-D103 PolarHBondContact N-OD2 3.39Š| ||
| 59 | I | 27.1 | Very low | 30.9 | Very low | 139 Ų | 139 | 104.1 Ų | 104.1 | 71% | 0.713 | 58% | 0.575 | S | S | * | * | trans | 60.3 | 125.7 | 135.6 | -55.5 | 176.4 | 0 | 0 | 0 | 119.4 | ||||
| 60 | S | 27.6 | Very low | 31.6 | Very low | 31 Ų | 31 | 100.6 Ų | 100.6 | 22% | 0.217 | 56% | 0.564 | C | S | . | * | trans | -165 | 116.3 | 139.1 | -92 | 0 | 0 | 0 | 0 | 110.9 | L96 C100 | S60-L96 WeakPolarHBondContact OG-CD2 3.24Å; S60-C100 VanDerWaalsContact CB-SG 3.57Å | ||
| 61 | C | 28.1 | Very low | 31.4 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | 90.9 | 97.3 | 82.4 | -78.4 | 0 | 0 | 0 | 0 | 112.3 | L96 | C61-L96 HydrophobicContact CB-CD2 4.29Š| |||
| 62 | A | 28.3 | Very low | 31.9 | Very low | 84 Ų | 84 | 110.5 Ų | 110.5 | 69% | 0.694 | 59% | 0.593 | S | S | * | * | trans | -65.9 | 142.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 63 | V | 30.7 | Very low | 32.5 | Very low | 93 Ų | 93 | 109.6 Ų | 109.6 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | trans | -133.6 | 137.8 | 163.5 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 64 | L | 32.8 | Very low | 33.4 | Very low | 136 Ų | 136 | 107.9 Ų | 107.9 | 71% | 0.712 | 59% | 0.586 | S | S | * | * | trans | -69.5 | 146.5 | -171.5 | -80.5 | 74.3 | 0 | 0 | 0 | 113.4 | L66 | L64-L66 HydrophobicContact CB-CD1 4.14Å; L64-L66 HydrophobicContact CD2-CD1 4.17Å; L64-L66 PolarHBondContact O-N 2.69Å | ||
| 65 | P | 34.3 | Very low | 34 | Very low | 35 Ų | 35 | 112.8 Ų | 112.8 | 23% | 0.227 | 60% | 0.597 | C | S | . | * | trans | -89 | 90.2 | 159.2 | 36.5 | -33.4 | 0 | 0 | 0 | 110.2 | S67 H115 I116 | P65-S67 PolarHBondContact O-N 2.84Å; P65-H115 HydrophobicContact CB-CB 4.31Å; P65-H115 HydrophobicContact CG-CB 3.44Å; P65-H115 VanDerWaalsContact CG-CB 3.44Å; P65-H115 PolarHBondContact O-ND1 3.01Å; P65-I116 HydrophobicContact CB-CB 4.1Å; P65-I116 HydrophobicContact CB-CG1 4.39Å; P65-I116 VanDerWaalsContact CB-N 3.27Å; P65-I116 WeakPolarHBondContact CD-O 2.96Å; P65-I116 HydrophobicContact CG-CB 4.38Å; P65-I116 WeakPolarHBondContact CG-O 3.23Å | ||
| 66 | L | 35.2 | Very low | 35.1 | Very low | 124 Ų | 124 | 108.4 Ų | 108.4 | 65% | 0.649 | 58% | 0.584 | S | S | * | * | trans | -69.8 | 118.6 | 170.7 | -107.3 | 89.1 | 0 | 0 | 0 | 110.3 | L64 I68 | L64-L66 HydrophobicContact CB-CD1 4.14Å; L64-L66 HydrophobicContact CD2-CD1 4.17Å; L64-L66 PolarHBondContact O-N 2.69Å; L66-I68 HydrophobicContact CD2-CD1 3.9Å; L66-I68 HydrophobicContact CD2-CG1 4.45Å | ||
| 67 | S | 35.5 | Very low | 36 | Very low | 63 Ų | 63 | 106 Ų | 106 | 44% | 0.441 | 57% | 0.567 | S | S | . | * | trans | -126.6 | 81.7 | 174.4 | 59.8 | 0 | 0 | 0 | 0 | 110 | P65 S114 | P65-S67 PolarHBondContact O-N 2.84Å; S67-S114 PolarHBondContact OG-O 3.37Å | ||
| 68 | I | 35.8 | Very low | 37 | Very low | 97 Ų | 97 | 107.9 Ų | 107.9 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | trans | -109.5 | 120.4 | 178.7 | -53.3 | 177.6 | 0 | 0 | 0 | 110 | L66 F70 | L66-I68 HydrophobicContact CD2-CD1 3.9Å; L66-I68 HydrophobicContact CD2-CG1 4.45Å; I68-F70 HydrophobicContact CB-CD2 4.06Å; I68-F70 HydrophobicContact CB-CE2 3.75Å; I68-F70 HydrophobicContact CB-CZ 4.4Å; I68-F70 HydrophobicContact CD1-CE2 4.16Å; I68-F70 HydrophobicContact CD1-CZ 4.35Å; I68-F70 HydrophobicContact CG2-CD1 4.42Å; I68-F70 HydrophobicContact CG2-CD2 3.73Å; I68-F70 HydrophobicContact CG2-CE1 4.17Å; I68-F70 HydrophobicContact CG2-CE2 3.43Å; I68-F70 VanDerWaalsContact CG2-CE2 3.43Å; I68-F70 HydrophobicContact CG2-CG 4.23Å; I68-F70 HydrophobicContact CG2-CZ 3.68Å; I68-F70 PolarHBondContact O-N 3.03Å | ||
| 69 | P | 32.2 | Very low | 38.2 | Very low | 124 Ų | 124 | 111.3 Ų | 111.3 | 81% | 0.805 | 57% | 0.572 | S | S | * | * | trans | -83.9 | 88 | 177.9 | 32.9 | -33.1 | 0 | 0 | 0 | 111.2 | R71 | P69-R71 PolarHBondContact O-N 3.29Å; P69-R71 VanDerWaalsContact O-N 3.15Å | ||
| 70 | F | 44 | Very low | 39.4 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | trans | -78.1 | 98.6 | 178.8 | -78.8 | -72.1 | 0 | 0 | 0 | 113.5 | I68 M72 L77 | I68-F70 HydrophobicContact CB-CD2 4.06Å; I68-F70 HydrophobicContact CB-CE2 3.75Å; I68-F70 HydrophobicContact CB-CZ 4.4Å; I68-F70 HydrophobicContact CD1-CE2 4.16Å; I68-F70 HydrophobicContact CD1-CZ 4.35Å; I68-F70 HydrophobicContact CG2-CD1 4.42Å; I68-F70 HydrophobicContact CG2-CD2 3.73Å; I68-F70 HydrophobicContact CG2-CE1 4.17Å; I68-F70 HydrophobicContact CG2-CE2 3.43Å; I68-F70 VanDerWaalsContact CG2-CE2 3.43Å; I68-F70 HydrophobicContact CG2-CG 4.23Å; I68-F70 HydrophobicContact CG2-CZ 3.68Å; I68-F70 PolarHBondContact O-N 3.03Å; F70-M72 HydrophobicContact CD1-CB 4.2Å; F70-M72 PolarHBondContact O-N 3.2Å; F70-L77 HydrophobicContact CD1-CD2 4.31Å; F70-L77 HydrophobicContact CD2-CD2 4.01Å; F70-L77 HydrophobicContact CE1-CD2 4.04Å; F70-L77 HydrophobicContact CE2-CD2 3.7Å; F70-L77 HydrophobicContact CG-CD2 4.29Å; F70-L77 HydrophobicContact CZ-CD2 3.72Å | ||
| 71 | R | 32.3 | Very low | 40.7 | Very low | 250 Ų | 250 | 114 Ų | 114 | 94% | 0.943 | 58% | 0.582 | S | S | * | * | trans | -87.9 | 60.1 | 144.4 | -79.9 | -166.4 | 176.4 | -169.7 | 0.9 | 110.2 | P69 | P69-R71 PolarHBondContact O-N 3.29Å; P69-R71 VanDerWaalsContact O-N 3.15Å | ||
| 72 | M | 41.6 | Very low | 42 | Very low | 140 Ų | 140 | 115.6 Ų | 115.6 | 69% | 0.69 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -137.1 | 157.8 | 164.6 | -66.5 | -168.6 | 178.8 | 0 | 0 | 109.2 | F70 L74 | F70-M72 HydrophobicContact CD1-CB 4.2Å; F70-M72 PolarHBondContact O-N 3.2Å; M72-L74 PolarHBondContact O-N 3.39Å |
| 73 | N | 44.3 | Very low | 43.3 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | trans | -51.8 | 102.8 | -155.7 | -165.6 | -10.4 | 0 | 0 | 0 | 114.5 | Y75 N76 | N73-Y75 PolarHBondContact O-N 2.99Å; N73-N76 PolarHBondContact O-N 3.47Å | ||
| 74 | L | 48.9 | Very low | 44.3 | Very low | 111 Ų | 111 | 117.8 Ų | 117.8 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -53.7 | -31.7 | -171.3 | -75.4 | 163.3 | 0 | 0 | 0 | 113.9 | M72 N76 F78 | M72-L74 PolarHBondContact O-N 3.39Å; L74-N76 PolarHBondContact O-N 3.33Å; L74-F78 HydrophobicContact CD2-CD2 4.47Å; L74-F78 HydrophobicContact CD2-CE2 4.09Å; L74-F78 WeakPolarHBondContact O-CB 3.43Å; L74-F78 PolarHBondContact O-N 3.43Å; L74-F78 VanDerWaalsContact O-N 3.13Å |
| 75 | Y | 42.5 | Very low | 45.2 | Very low | 157 Ų | 157 | 115.5 Ų | 115.5 | 62% | 0.616 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -36 | -172.9 | -166.6 | -102 | 0 | 0 | 0 | 113.4 | N73 | N73-Y75 PolarHBondContact O-N 2.99Å |
| 76 | N | 52.9 | Low | 46.2 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -88.8 | -31.3 | -175.2 | -74 | -11.4 | 0 | 0 | 0 | 113.3 | N73 L74 | N73-N76 PolarHBondContact O-N 3.47Å; L74-N76 PolarHBondContact O-N 3.33Å |
| 77 | L | 47.7 | Very low | 46.9 | Very low | 59 Ų | 59 | 118.5 Ų | 118.5 | 31% | 0.309 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.5 | -44.4 | 172.7 | -84.4 | 92.3 | 0 | 0 | 0 | 111.9 | F70 R79 E81 | F70-L77 HydrophobicContact CD1-CD2 4.31Å; F70-L77 HydrophobicContact CD2-CD2 4.01Å; F70-L77 HydrophobicContact CE1-CD2 4.04Å; F70-L77 HydrophobicContact CE2-CD2 3.7Å; F70-L77 HydrophobicContact CG-CD2 4.29Å; F70-L77 HydrophobicContact CZ-CD2 3.72Å; L77-R79 PolarHBondContact O-N 2.87Å; L77-E81 VanDerWaalsContact O-CB 3.22Å; L77-E81 WeakPolarHBondContact O-CB 3.15Å; L77-E81 PolarHBondContact O-N 3.39Å |
| 78 | F | 48.5 | Very low | 47.7 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.4 | -25.7 | -177.8 | -97.3 | -140.6 | 0 | 0 | 0 | 114.2 | L74 K82 | L74-F78 HydrophobicContact CD2-CD2 4.47Å; L74-F78 HydrophobicContact CD2-CE2 4.09Å; L74-F78 WeakPolarHBondContact O-CB 3.43Å; L74-F78 PolarHBondContact O-N 3.43Å; L74-F78 VanDerWaalsContact O-N 3.13Å; F78-K82 HydrophobicContact CB-CD 4.47Å; F78-K82 HydrophobicContact CD1-CD 4.08Å; F78-K82 VanDerWaalsContact CD1-CE 3.49Å; F78-K82 HydrophobicContact CG-CD 4.18Å; F78-K82 WeakPolarHBondContact O-CB 3.07Å; F78-K82 WeakPolarHBondContact O-CG 3.29Å |
| 79 | R | 51.9 | Low | 48.6 | Very low | 179 Ų | 179 | 117 Ų | 117 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -85.6 | -29.8 | -169.2 | -159 | 173.1 | -173.6 | -175.9 | 1.6 | 114.5 | L77 | L77-R79 PolarHBondContact O-N 2.87Å |
| 80 | L | 53.3 | Low | 49.7 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 75% | 0.754 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -102.4 | -43.7 | 179.9 | -94.2 | 148.6 | 0 | 0 | 0 | 112 | K82 V83 F84 | L80-K82 PolarHBondContact O-N 3.42Å; L80-V83 PolarHBondContact O-N 2.99Å; L80-F84 PolarHBondContact O-N 3.27Å |
| 81 | E | 53.8 | Low | 50.6 | Low | 83 Ų | 83 | 117.4 Ų | 117.4 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.2 | -41.7 | -174.1 | -162.7 | -175 | 165.5 | 0 | 0 | 111.9 | L77 V83 F84 L85 | L77-E81 VanDerWaalsContact O-CB 3.22Å; L77-E81 WeakPolarHBondContact O-CB 3.15Å; L77-E81 PolarHBondContact O-N 3.39Å; E81-V83 PolarHBondContact O-N 3.11Å; E81-F84 PolarHBondContact O-N 2.89Å; E81-L85 HydrophobicContact CG-CD1 3.79Å; E81-L85 HydrophobicContact CG-CG 4.35Å; E81-L85 WeakPolarHBondContact O-CB 3.2Å; E81-L85 WeakPolarHBondContact O-CG 3.5Å; E81-L85 PolarHBondContact O-N 2.74Å |
| 82 | K | 55.6 | Low | 51.4 | Low | 113 Ų | 113 | 109 Ų | 109 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -35.9 | -178.5 | -69.3 | -168.8 | 168.6 | -164.4 | 0 | 113.8 | F78 L80 F86 | F78-K82 HydrophobicContact CB-CD 4.47Å; F78-K82 HydrophobicContact CD1-CD 4.08Å; F78-K82 VanDerWaalsContact CD1-CE 3.49Å; F78-K82 HydrophobicContact CG-CD 4.18Å; F78-K82 WeakPolarHBondContact O-CB 3.07Å; F78-K82 WeakPolarHBondContact O-CG 3.29Å; L80-K82 PolarHBondContact O-N 3.42Å; K82-F86 WeakPolarHBondContact O-CB 3.41Å; K82-F86 PolarHBondContact O-N 3.23Å |
| 83 | V | 54.8 | Low | 51.9 | Low | 86 Ų | 86 | 108 Ų | 108 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.5 | -44.6 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | L80 E81 L87 | L80-V83 PolarHBondContact O-N 2.99Å; E81-V83 PolarHBondContact O-N 3.11Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 WeakPolarHBondContact O-CB 3.39Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.21Å |
| 84 | F | 53.3 | Low | 52 | Low | 138 Ų | 138 | 106.1 Ų | 106.1 | 61% | 0.605 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -49.2 | 179 | -171.6 | -100.8 | 0 | 0 | 0 | 112.2 | L80 E81 F86 L87 L88 | L80-F84 PolarHBondContact O-N 3.27Å; E81-F84 PolarHBondContact O-N 2.89Å; F84-F86 VanDerWaalsContact C-N 3.33Å; F84-F86 PolarHBondContact O-N 2.98Å; F84-L87 PolarHBondContact O-N 3.35Å; F84-L88 HydrophobicContact CE1-CD2 4.03Å; F84-L88 WeakPolarHBondContact O-CB 3.38Å; F84-L88 PolarHBondContact O-N 3.42Å |
| 85 | L | 51.7 | Low | 51.8 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 178.1 | -71.3 | 176.4 | 0 | 0 | 0 | 112.7 | E81 S89 | E81-L85 HydrophobicContact CG-CD1 3.79Å; E81-L85 HydrophobicContact CG-CG 4.35Å; E81-L85 WeakPolarHBondContact O-CB 3.2Å; E81-L85 WeakPolarHBondContact O-CG 3.5Å; E81-L85 PolarHBondContact O-N 2.74Å; L85-S89 VanDerWaalsContact O-CB 3.29Å; L85-S89 WeakPolarHBondContact O-CB 3.36Å; L85-S89 PolarHBondContact O-N 3.22Å; L85-S89 PolarHBondContact O-OG 2.93Å |
| 86 | F | 54.9 | Low | 51.9 | Low | 133 Ų | 133 | 101.6 Ų | 101.6 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.4 | -46.3 | 176.8 | -176.8 | -107 | 0 | 0 | 0 | 112 | K82 F84 S89 L90 | K82-F86 WeakPolarHBondContact O-CB 3.41Å; K82-F86 PolarHBondContact O-N 3.23Å; F84-F86 VanDerWaalsContact C-N 3.33Å; F84-F86 PolarHBondContact O-N 2.98Å; F86-S89 PolarHBondContact O-OG 2.86Å; F86-S89 VanDerWaalsContact O-OG 3.06Å; F86-L90 HydrophobicContact CD1-CD1 3.87Å; F86-L90 HydrophobicContact CD2-CD1 3.86Å; F86-L90 HydrophobicContact CE1-CD1 3.49Å; F86-L90 VanDerWaalsContact CE1-CD1 3.49Å; F86-L90 HydrophobicContact CE2-CD1 3.49Å; F86-L90 VanDerWaalsContact CE2-CD1 3.49Å; F86-L90 HydrophobicContact CG-CD1 4.05Å; F86-L90 HydrophobicContact CZ-CD1 3.29Å; F86-L90 WeakPolarHBondContact O-CB 3.33Å; F86-L90 PolarHBondContact O-N 3.08Å |
| 87 | L | 49.2 | Very low | 51.3 | Low | 89 Ų | 89 | 98.8 Ų | 98.8 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 176.8 | -69.1 | 171.1 | 0 | 0 | 0 | 111.9 | V83 F84 L90 H91 | V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 WeakPolarHBondContact O-CB 3.39Å; V83-L87 VanDerWaalsContact O-CG 3.32Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.21Å; F84-L87 PolarHBondContact O-N 3.35Å; L87-L90 PolarHBondContact O-N 3.35Å; L87-H91 PolarHBondContact O-N 3.38Å; L87-H91 VanDerWaalsContact O-N 3.11Å |
| 88 | L | 51.7 | Low | 51 | Low | 78 Ų | 78 | 99.1 Ų | 99.1 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.2 | -171.2 | 68.9 | 0 | 0 | 0 | 111.2 | F84 L92 | F84-L88 HydrophobicContact CE1-CD2 4.03Å; F84-L88 WeakPolarHBondContact O-CB 3.38Å; F84-L88 PolarHBondContact O-N 3.42Å; L88-L92 HydrophobicContact CD1-CD1 3.88Å; L88-L92 HydrophobicContact CD1-CG 4.39Å; L88-L92 HydrophobicContact CG-CD1 3.82Å; L88-L92 VanDerWaalsContact O-CB 3.27Å; L88-L92 WeakPolarHBondContact O-CB 3.31Å; L88-L92 VanDerWaalsContact O-CG 3.25Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 2.81Å |
| 89 | S | 55.5 | Low | 50.5 | Low | 50 Ų | 50 | 100 Ų | 100 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -42 | 174.8 | 54 | 0 | 0 | 0 | 0 | 112.4 | L85 F86 H91 L92 L93 | L85-S89 VanDerWaalsContact O-CB 3.29Å; L85-S89 WeakPolarHBondContact O-CB 3.36Å; L85-S89 PolarHBondContact O-N 3.22Å; L85-S89 PolarHBondContact O-OG 2.93Å; F86-S89 PolarHBondContact O-OG 2.86Å; F86-S89 VanDerWaalsContact O-OG 3.06Å; S89-H91 VanDerWaalsContact C-N 3.27Å; S89-H91 PolarHBondContact O-N 3.24Å; S89-L92 PolarHBondContact O-N 3.42Å; S89-L93 VanDerWaalsContact O-CB 3.24Å; S89-L93 WeakPolarHBondContact O-CB 3.49Å; S89-L93 WeakPolarHBondContact O-CD1 3.12Å; S89-L93 WeakPolarHBondContact O-CG 3.32Å; S89-L93 PolarHBondContact O-N 3.45Å |
| 90 | L | 55.6 | Low | 49.6 | Very low | 88 Ų | 88 | 93.4 Ų | 93.4 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -28.4 | 178.2 | -111.9 | 110.4 | 0 | 0 | 0 | 114.5 | F86 L87 P94 | F86-L90 HydrophobicContact CD1-CD1 3.87Å; F86-L90 HydrophobicContact CD2-CD1 3.86Å; F86-L90 HydrophobicContact CE1-CD1 3.49Å; F86-L90 VanDerWaalsContact CE1-CD1 3.49Å; F86-L90 HydrophobicContact CE2-CD1 3.49Å; F86-L90 VanDerWaalsContact CE2-CD1 3.49Å; F86-L90 HydrophobicContact CG-CD1 4.05Å; F86-L90 HydrophobicContact CZ-CD1 3.29Å; F86-L90 WeakPolarHBondContact O-CB 3.33Å; F86-L90 PolarHBondContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 3.35Å; L90-P94 WeakPolarHBondContact O-CD 3.25Å; L90-P94 VanDerWaalsContact O-CG 3.29Å; L90-P94 WeakPolarHBondContact O-CG 3.34Å |
| 91 | H | 61.6 | Low | 48.7 | Very low | 139 Ų | 139 | 93.1 Ų | 93.1 | 64% | 0.644 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -91.6 | -35.1 | 177 | -69.9 | -6 | 0 | 0 | 0 | 112.6 | L87 S89 Y95 | L87-H91 PolarHBondContact O-N 3.38Å; L87-H91 VanDerWaalsContact O-N 3.11Å; S89-H91 VanDerWaalsContact C-N 3.27Å; S89-H91 PolarHBondContact O-N 3.24Å; H91-Y95 WeakPolarHBondContact O-CB 3.23Å |
| 92 | L | 50.5 | Low | 48 | Very low | 74 Ų | 74 | 95.3 Ų | 95.3 | 39% | 0.387 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.6 | -33.9 | 177.8 | -68.4 | 177.2 | 0 | 0 | 0 | 113.4 | L88 S89 Y95 L96 | L88-L92 HydrophobicContact CD1-CD1 3.88Å; L88-L92 HydrophobicContact CD1-CG 4.39Å; L88-L92 HydrophobicContact CG-CD1 3.82Å; L88-L92 VanDerWaalsContact O-CB 3.27Å; L88-L92 WeakPolarHBondContact O-CB 3.31Å; L88-L92 VanDerWaalsContact O-CG 3.25Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 2.81Å; S89-L92 PolarHBondContact O-N 3.42Å; L92-Y95 PolarHBondContact O-N 3.41Å; L92-L96 HydrophobicContact CB-CD1 4.13Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.27Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.5Å; L92-L96 PolarHBondContact O-N 3.22Å |
| 93 | L | 51.3 | Low | 47.2 | Very low | 119 Ų | 119 | 91.3 Ų | 91.3 | 62% | 0.623 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.3 | -54.5 | 178.6 | -89.8 | 152.8 | 0 | 0 | 0 | 113.6 | S89 Y95 A97 | S89-L93 VanDerWaalsContact O-CB 3.24Å; S89-L93 WeakPolarHBondContact O-CB 3.49Å; S89-L93 WeakPolarHBondContact O-CD1 3.12Å; S89-L93 WeakPolarHBondContact O-CG 3.32Å; S89-L93 PolarHBondContact O-N 3.45Å; L93-Y95 VanDerWaalsContact C-N 3.32Å; L93-Y95 PolarHBondContact O-N 2.88Å; L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 3.33Å |
| 94 | P | 46.1 | Very low | 46.2 | Very low | 76 Ų | 76 | 89.7 Ų | 89.7 | 49% | 0.494 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.9 | -29.7 | 177.7 | 26.7 | -33.9 | 0 | 0 | 0 | 112.7 | L90 S98 | L90-P94 WeakPolarHBondContact O-CD 3.25Å; L90-P94 VanDerWaalsContact O-CG 3.29Å; L90-P94 WeakPolarHBondContact O-CG 3.34Å; P94-S98 VanDerWaalsContact O-CB 3.27Å; P94-S98 WeakPolarHBondContact O-CB 3.42Å; P94-S98 PolarHBondContact O-N 2.74Å; P94-S98 PolarHBondContact O-OG 3.11Å |
| 95 | Y | 45 | Very low | 45.6 | Very low | 124 Ų | 124 | 91.3 Ų | 91.3 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.2 | -45.2 | 177.5 | -171 | -94.5 | 0 | 0 | 0 | 112.5 | H91 L92 L93 S98 R99 | H91-Y95 WeakPolarHBondContact O-CB 3.23Å; L92-Y95 PolarHBondContact O-N 3.41Å; L93-Y95 VanDerWaalsContact C-N 3.32Å; L93-Y95 PolarHBondContact O-N 2.88Å; Y95-S98 PolarHBondContact O-OG 3.18Å; Y95-R99 WeakPolarHBondContact O-CG 3.25Å; Y95-R99 PolarHBondContact O-N 2.85Å; Y95-R99 VanDerWaalsContact O-N 3.11Å; Y95-R99 PolarHBondContact OH-NE 3.29Å; Y95-R99 PolarHBondContact OH-NH2 3.37Å |
| 96 | L | 45.4 | Very low | 44.6 | Very low | 48 Ų | 48 | 89.6 Ų | 89.6 | 25% | 0.251 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71 | -39 | 175.7 | -67.4 | 169.5 | 0 | 0 | 0 | 111.2 | S60 C61 L92 R99 C100 | S60-L96 WeakPolarHBondContact OG-CD2 3.24Å; C61-L96 HydrophobicContact CB-CD2 4.29Å; L92-L96 HydrophobicContact CB-CD1 4.13Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.27Å; L92-L96 VanDerWaalsContact O-CG 3.23Å; L92-L96 WeakPolarHBondContact O-CG 3.5Å; L92-L96 PolarHBondContact O-N 3.22Å; L96-R99 PolarHBondContact O-N 3.46Å; L96-C100 WeakPolarHBondContact O-CB 3.27Å; L96-C100 PolarHBondContact O-N 2.79Å |
| 97 | A | 40.1 | Very low | 43.7 | Very low | 52 Ų | 52 | 86.8 Ų | 86.8 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L93 R99 L101 | L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 3.33Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 2.95Å; A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CD1 3.33Å; A97-L101 PolarHBondContact O-N 3.03Å |
| 98 | S | 41.9 | Very low | 43.1 | Very low | 65 Ų | 65 | 85.2 Ų | 85.2 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.6 | -27.9 | 179 | 54.6 | 0 | 0 | 0 | 0 | 114 | P94 Y95 I102 | P94-S98 VanDerWaalsContact O-CB 3.27Å; P94-S98 WeakPolarHBondContact O-CB 3.42Å; P94-S98 PolarHBondContact O-N 2.74Å; P94-S98 PolarHBondContact O-OG 3.11Å; Y95-S98 PolarHBondContact O-OG 3.18Å; S98-I102 WeakPolarHBondContact O-CD1 3.34Å; S98-I102 WeakPolarHBondContact O-CG1 3.35Å |
| 99 | R | 36.3 | Very low | 42.2 | Very low | 133 Ų | 133 | 83.5 Ų | 83.5 | 50% | 0.502 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -87.9 | -41.4 | 176.2 | -66 | -143.7 | 178.7 | -152 | 0.8 | 114.3 | Y95 L96 A97 L101 I102 | Y95-R99 WeakPolarHBondContact O-CG 3.25Å; Y95-R99 PolarHBondContact O-N 2.85Å; Y95-R99 VanDerWaalsContact O-N 3.11Å; Y95-R99 PolarHBondContact OH-NE 3.29Å; Y95-R99 PolarHBondContact OH-NH2 3.37Å; L96-R99 PolarHBondContact O-N 3.46Å; A97-R99 VanDerWaalsContact C-N 3.35Å; A97-R99 PolarHBondContact O-N 2.95Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 2.92Å; R99-I102 PolarHBondContact O-N 3.37Å |
| 100 | C | 34.3 | Very low | 41.2 | Very low | 42 Ų | 42 | 82.1 Ų | 82.1 | 28% | 0.284 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -26.3 | 175.1 | -83.7 | 0 | 0 | 0 | 0 | 113.6 | S60 L96 I102 | S60-C100 VanDerWaalsContact CB-SG 3.57Å; L96-C100 WeakPolarHBondContact O-CB 3.27Å; L96-C100 PolarHBondContact O-N 2.79Å; C100-I102 PolarHBondContact O-N 3.12Å |
| 101 | L | 34.8 | Very low | 40 | Very low | 137 Ų | 137 | 80.6 Ų | 80.6 | 72% | 0.717 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.4 | 176.9 | -99.3 | 157 | 0 | 0 | 0 | 114.2 | A97 R99 | A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CD1 3.33Å; A97-L101 PolarHBondContact O-N 3.03Å; R99-L101 VanDerWaalsContact C-N 3.26Å; R99-L101 PolarHBondContact O-N 2.92Å |
| 102 | I | 37.4 | Very low | 38.7 | Very low | 129 Ų | 129 | 81 Ų | 81 | 66% | 0.662 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -23.2 | -178.2 | -65.1 | 171.1 | 0 | 0 | 0 | 111.3 | S98 R99 C100 | S98-I102 WeakPolarHBondContact O-CD1 3.34Å; S98-I102 WeakPolarHBondContact O-CG1 3.35Å; R99-I102 PolarHBondContact O-N 3.37Å; C100-I102 PolarHBondContact O-N 3.12Å |
| 103 | D | 40 | Very low | 38.1 | Very low | 30 Ų | 30 | 82.8 Ų | 82.8 | 16% | 0.16 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -125 | 14.1 | -156.2 | -76.8 | -38.9 | 0 | 0 | 0 | 117.2 | S57 I58 F105 | S57-D103 VanDerWaalsContact CA-OD1 3.23Å; S57-D103 WeakPolarHBondContact CA-OD1 3.4Å; S57-D103 WeakPolarHBondContact CB-OD1 3.19Å; S57-D103 WeakPolarHBondContact CB-OD2 3.01Å; S57-D103 PolarHBondContact N-OD1 3.37Å; I58-D103 PolarHBondContact N-OD2 3.39Å; D103-F105 VanDerWaalsContact C-N 3.31Å; D103-F105 WeakPolarHBondContact O-CD2 3.45Å; D103-F105 PolarHBondContact O-N 3.39Å; D103-F105 VanDerWaalsContact O-N 3.07Å |
| 104 | G | 33.3 | Very low | 37.5 | Very low | 52 Ų | 52 | 79.7 Ų | 79.7 | 54% | 0.536 | 44% | 0.442 | S | S | . | . | trans | 71.7 | 7.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 105 | F | 40.7 | Very low | 36.8 | Very low | 172 Ų | 172 | 80.1 Ų | 80.1 | 75% | 0.754 | 44% | 0.437 | S | S | * | . | trans | -108.3 | 109.5 | 175 | -70.5 | -80.6 | 0 | 0 | 0 | 111.9 | D103 L107 | D103-F105 VanDerWaalsContact C-N 3.31Å; D103-F105 WeakPolarHBondContact O-CD2 3.45Å; D103-F105 PolarHBondContact O-N 3.39Å; D103-F105 VanDerWaalsContact O-N 3.07Å; F105-L107 PolarHBondContact O-N 3.24Å | ||
| 106 | P | 31.6 | Very low | 36.2 | Very low | 52 Ų | 52 | 78.1 Ų | 78.1 | 34% | 0.338 | 43% | 0.434 | S | S | . | . | trans | -75.3 | 118.5 | 172.9 | 29.2 | -32.2 | 0 | 0 | 0 | 111.1 | F39 I108 | F39-P106 HydrophobicContact CB-CB 4.45Å; F39-P106 VanDerWaalsContact O-CB 3.31Å; F39-P106 WeakPolarHBondContact O-CB 3.06Å; P106-I108 PolarHBondContact O-N 3.32Å | ||
| 107 | L | 36.2 | Very low | 35.4 | Very low | 73 Ų | 73 | 78.9 Ų | 78.9 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | trans | -69.7 | 119.1 | 169.6 | -76.4 | 157.2 | 0 | 0 | 0 | 110 | F105 P109 F118 | F105-L107 PolarHBondContact O-N 3.24Å; L107-P109 WeakPolarHBondContact O-CD 3.35Å; L107-F118 HydrophobicContact CB-CD1 3.96Å; L107-F118 HydrophobicContact CB-CE1 4.1Å; L107-F118 HydrophobicContact CD2-CB 4.27Å; L107-F118 HydrophobicContact CD2-CD1 3.83Å; L107-F118 HydrophobicContact CD2-CG 4.27Å; L107-F118 HydrophobicContact CG-CD1 4.41Å | ||
| 108 | I | 35.2 | Very low | 35 | Very low | 57 Ų | 57 | 80 Ų | 80 | 29% | 0.292 | 44% | 0.435 | S | S | . | . | trans | -96.9 | 114.4 | 170.5 | -61 | 164.5 | 0 | 0 | 0 | 108.5 | L38 P106 V110 | L38-I108 HydrophobicContact CD2-CD1 3.81Å; L38-I108 HydrophobicContact CD2-CG1 4.42Å; P106-I108 PolarHBondContact O-N 3.32Å; I108-V110 HydrophobicContact CG2-CG2 4.47Å; I108-V110 PolarHBondContact O-N 3.31Å | ||
| 109 | P | 32.8 | Very low | 34.8 | Very low | 42 Ų | 42 | 80.2 Ų | 80.2 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 112 | 170.8 | 29.2 | -30.7 | 0 | 0 | 0 | 110 | L107 I116 F118 | L107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-I116 HydrophobicContact CB-CG2 3.6Å; P109-F118 HydrophobicContact CB-CD1 4.42Å; P109-F118 HydrophobicContact CB-CE1 3.95Å; P109-F118 HydrophobicContact CB-CZ 4.41Å |
| 110 | V | 35.4 | Very low | 34.7 | Very low | 21 Ų | 21 | 79.9 Ų | 79.9 | 13% | 0.127 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.6 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | I108 Y112 V117 T119 | I108-V110 HydrophobicContact CG2-CG2 4.47Å; I108-V110 PolarHBondContact O-N 3.31Å; V110-Y112 HydrophobicContact CG1-CD2 3.97Å; V110-Y112 HydrophobicContact CG1-CE2 3.63Å; V110-V117 PolarHBondContact N-O 3.2Å; V110-V117 PolarHBondContact O-N 3.13Å; V110-T119 WeakPolarHBondContact CG2-OG1 3.09Å |
| 111 | S | 30.1 | Very low | 34.5 | Very low | 56 Ų | 56 | 84.3 Ų | 84.3 | 39% | 0.392 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.8 | 172.8 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | Q34 | Q34-S111 VanDerWaalsContact OE1-C 3.24Å; Q34-S111 VanDerWaalsContact OE1-CB 3.3Å; Q34-S111 PolarHBondContact OE1-O 3.33Å; Q34-S111 VanDerWaalsContact OE1-O 3.04Å; Q34-S111 PolarHBondContact OE1-OG 3.07Å |
| 112 | Y | 33.4 | Very low | 34.1 | Very low | 146 Ų | 146 | 81.3 Ų | 81.3 | 57% | 0.573 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 169.7 | 156.2 | -79.2 | -86.2 | 0 | 0 | 0 | 109.2 | V110 S114 H115 | V110-Y112 HydrophobicContact CG1-CD2 3.97Å; V110-Y112 HydrophobicContact CG1-CE2 3.63Å; Y112-S114 PolarHBondContact O-N 2.98Å; Y112-H115 PolarHBondContact N-O 2.73Å; Y112-H115 PolarHBondContact O-N 3.07Å |
| 113 | S | 39.5 | Very low | 33.7 | Very low | 112 Ų | 112 | 80 Ų | 80 | 78% | 0.783 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -7.8 | -163.4 | 47.4 | 0 | 0 | 0 | 0 | 119.4 | ||
| 114 | S | 37.8 | Very low | 33.2 | Very low | 55 Ų | 55 | 88.1 Ų | 88.1 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.2 | 1.2 | 171.7 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | S67 Y112 | S67-S114 PolarHBondContact OG-O 3.37Å; Y112-S114 PolarHBondContact O-N 2.98Å |
| 115 | H | 30.7 | Very low | 33 | Very low | 84 Ų | 84 | 93.6 Ų | 93.6 | 39% | 0.389 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 121.3 | -164.1 | -56.9 | -53.2 | 0 | 0 | 0 | 114.8 | P65 Y112 | P65-H115 HydrophobicContact CB-CB 4.31Å; P65-H115 HydrophobicContact CG-CB 3.44Å; P65-H115 VanDerWaalsContact CG-CB 3.44Å; P65-H115 PolarHBondContact O-ND1 3.01Å; Y112-H115 PolarHBondContact N-O 2.73Å; Y112-H115 PolarHBondContact O-N 3.07Å |
| 116 | I | 32.6 | Very low | 32.2 | Very low | 83 Ų | 83 | 92.9 Ų | 92.9 | 43% | 0.426 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 118.8 | 156.9 | -58.3 | 168.2 | 0 | 0 | 0 | 109.9 | P65 P109 F118 | P65-I116 HydrophobicContact CB-CB 4.1Å; P65-I116 HydrophobicContact CB-CG1 4.39Å; P65-I116 VanDerWaalsContact CB-N 3.27Å; P65-I116 WeakPolarHBondContact CD-O 2.96Å; P65-I116 HydrophobicContact CG-CB 4.38Å; P65-I116 WeakPolarHBondContact CG-O 3.23Å; P109-I116 HydrophobicContact CB-CG2 3.6Å; I116-F118 HydrophobicContact CG2-CE2 4.11Å; I116-F118 HydrophobicContact CG2-CZ 4.26Å |
| 117 | V | 28.8 | Very low | 32.3 | Very low | 64 Ų | 64 | 101.6 Ų | 101.6 | 39% | 0.388 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.9 | 171.3 | -172 | 0 | 0 | 0 | 0 | 108.9 | V110 T119 | V110-V117 PolarHBondContact N-O 3.2Å; V110-V117 PolarHBondContact O-N 3.13Å; V117-T119 HydrophobicContact CB-CG2 4.34Å; V117-T119 HydrophobicContact CG1-CG2 3.62Å; V117-T119 PolarHBondContact O-N 3.23Å |
| 118 | F | 33.4 | Very low | 32.1 | Very low | 75 Ų | 75 | 103 Ų | 103 | 33% | 0.329 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86 | 95.6 | 168.9 | -66.5 | -80.6 | 0 | 0 | 0 | 109 | L107 P109 I116 | L107-F118 HydrophobicContact CB-CD1 3.96Å; L107-F118 HydrophobicContact CB-CE1 4.1Å; L107-F118 HydrophobicContact CD2-CB 4.27Å; L107-F118 HydrophobicContact CD2-CD1 3.83Å; L107-F118 HydrophobicContact CD2-CG 4.27Å; L107-F118 HydrophobicContact CG-CD1 4.41Å; P109-F118 HydrophobicContact CB-CD1 4.42Å; P109-F118 HydrophobicContact CB-CE1 3.95Å; P109-F118 HydrophobicContact CB-CZ 4.41Å; I116-F118 HydrophobicContact CG2-CE2 4.11Å; I116-F118 HydrophobicContact CG2-CZ 4.26Å |
| 119 | T | 36.1 | Very low | 31.9 | Very low | 70 Ų | 70 | 105.4 Ų | 105.4 | 43% | 0.429 | 61% | 0.61 | S | S | . | * | trans | -96.7 | 107.3 | 176.7 | 56 | 0 | 0 | 0 | 0 | 110.8 | V110 V117 V121 | V110-T119 WeakPolarHBondContact CG2-OG1 3.09Å; V117-T119 HydrophobicContact CB-CG2 4.34Å; V117-T119 HydrophobicContact CG1-CG2 3.62Å; V117-T119 PolarHBondContact O-N 3.23Å; T119-V121 PolarHBondContact O-N 2.81Å | ||
| 120 | S | 35.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 108.9 Ų | 108.9 | 88% | 0.881 | 63% | 0.629 | S | S | * | * | trans | -75.1 | 109.5 | 159.9 | 43.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 121 | V | 29.6 | Very low | 31.7 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | trans | -113.4 | 121.2 | 169.5 | -176 | 0 | 0 | 0 | 0 | 107.2 | T119 | T119-V121 PolarHBondContact O-N 2.81Š| ||
| 122 | G | 26.5 | Very low | 31.8 | Very low | 74 Ų | 74 | 117.8 Ų | 117.8 | 76% | 0.763 | 68% | 0.675 | S | S | * | * | trans | -88.5 | -174 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 123 | A | 28.8 | Very low | 31.7 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 84% | 0.835 | 68% | 0.682 | S | S | * | * | trans | -136.8 | 111.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 124 | F | 30.3 | Very low | 31.1 | Very low | 202 Ų | 202 | 116.1 Ų | 116.1 | 89% | 0.886 | 68% | 0.675 | S | S | * | * | trans | -66.5 | 131.7 | 168.6 | -68.8 | -95 | 0 | 0 | 0 | 108.4 | I126 | F124-I126 PolarHBondContact O-N 3.29Š| ||
| 125 | N | 28.4 | Very low | 30.6 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | trans | -80.4 | 107.6 | 173.2 | -145.6 | 28.9 | 0 | 0 | 0 | 107.8 | ||||
| 126 | I | 24.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 123.9 Ų | 123.9 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | -94.6 | 105 | 171.3 | -62.5 | 174.8 | 0 | 0 | 0 | 107.5 | F124 | F124-I126 PolarHBondContact O-N 3.29Š| ||
| 127 | L | 33.3 | Very low | 30.4 | Very low | 235 Ų | 235 | 127.6 Ų | 127.6 | 100% | 1.23 | 75% | 0.75 | S | S | * | * | trans | -160.4 | 0 | 156.2 | -113.5 | 166.9 | 0 | 0 | 0 | 108.4 |
Retrieved 127 of 127 residues in 21.9 ms
(Link to these results)