| 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 | 36.9 | Very low | 33.2 | Very low | 249 Ų | 249 | 164.6 Ų | 164.6 | 100% | 1.227 | 80% | 0.795 | S | S | * | * | 0 | 112.2 | 0 | -133.5 | 173.7 | 173.2 | 0 | 0 | 106.1 | |||||
| 2 | L | 30.7 | Very low | 33 | Very low | 170 Ų | 170 | 161.6 Ų | 161.6 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 130.5 | -158.6 | -72.5 | 146.5 | 0 | 0 | 0 | 111.3 | ||
| 3 | L | 29.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 158.1 Ų | 158.1 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 137.6 | 168.9 | -142.7 | 79.1 | 0 | 0 | 0 | 108.5 | D5 | L3-D5 PolarHBondContact O-N 3.17Å; L3-D5 VanDerWaalsContact O-N 3.16Å |
| 4 | P | 35.8 | Very low | 32.7 | Very low | 105 Ų | 105 | 162.2 Ų | 162.2 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69 | 116.7 | -179.4 | -11 | 25.5 | 0 | 0 | 0 | 110.2 | F6 | P4-F6 PolarHBondContact O-N 3.02Š|
| 5 | D | 35.3 | Very low | 32.6 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 7.8 | -179.6 | -73.7 | -49.5 | 0 | 0 | 0 | 115.8 | L3 | L3-D5 PolarHBondContact O-N 3.17Å; L3-D5 VanDerWaalsContact O-N 3.16Å |
| 6 | F | 33.7 | Very low | 32.8 | Very low | 179 Ų | 179 | 153 Ų | 153 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -13.2 | -176.7 | -115.2 | -97.3 | 0 | 0 | 0 | 114.7 | P4 | P4-F6 PolarHBondContact O-N 3.02Š|
| 7 | L | 32.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -95.1 | -13.9 | 177 | -73.8 | 171.8 | 0 | 0 | 0 | 113.7 | Q9 | L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 3.29Å |
| 8 | H | 32.6 | Very low | 32.9 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 58% | 0.579 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7.6 | 175.8 | -98.8 | 170.8 | 0 | 0 | 0 | 114.3 | H12 | H8-H12 AromaticContact CD2-CD2 3.61Å; H8-H12 AromaticContact CD2-NE2 3.35Å; H8-H12 PolarHBondContact CD2-NE2 3.36Å; H8-H12 VanDerWaalsContact CD2-NE2 3.35Å; H8-H12 AromaticContact NE2-NE2 3.9Å; H8-H12 PolarHBondContact O-CD2 2.9Å |
| 9 | Q | 31.9 | Very low | 33 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -2.5 | -168.5 | -118.7 | 177.9 | -1.2 | 0 | 0 | 116.4 | L7 | L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 3.29Å |
| 10 | R | 32.8 | Very low | 32.9 | Very low | 225 Ų | 225 | 147.5 Ų | 147.5 | 85% | 0.849 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -123.3 | -1 | 179.6 | -79.8 | -166.2 | 178.8 | -171.9 | 1.4 | 117.1 | ||
| 11 | F | 34.1 | Very low | 32.9 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -128.4 | 5.2 | 177.7 | -71.1 | -78.3 | 0 | 0 | 0 | 114.6 | ||
| 12 | H | 31.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 138 Ų | 138 | 59% | 0.593 | 68% | 0.682 | S | S | * | * | trans | -114.9 | 88.3 | 179.5 | -72.6 | -74.1 | 0 | 0 | 0 | 111.6 | H8 | H8-H12 AromaticContact CD2-CD2 3.61Å; H8-H12 AromaticContact CD2-NE2 3.35Å; H8-H12 PolarHBondContact CD2-NE2 3.36Å; H8-H12 VanDerWaalsContact CD2-NE2 3.35Å; H8-H12 AromaticContact NE2-NE2 3.9Å; H8-H12 PolarHBondContact O-CD2 2.9Å | ||
| 13 | S | 30.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -176.3 | 2.2 | 153.4 | 52.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 14 | R | 31.1 | Very low | 32.9 | Very low | 216 Ų | 216 | 134.9 Ų | 134.9 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -121.5 | 125.6 | 170.1 | -74.7 | -173.5 | 177.7 | -170.1 | -1.5 | 111 | V16 | R14-V16 PolarHBondContact O-N 3.03Å; R14-V16 VanDerWaalsContact O-N 3.17Å |
| 15 | P | 31.1 | Very low | 32.5 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 47% | 0.468 | 67% | 0.67 | S | S | . | * | trans | -58.5 | 125 | -177.8 | 25.4 | -31.6 | 0 | 0 | 0 | 108 | R17 D18 | P15-R17 HydrophobicContact CB-CB 4.47Å; P15-R17 PolarHBondContact O-N 3.44Å; P15-D18 PolarHBondContact O-N 2.96Å | ||
| 16 | V | 35.5 | Very low | 32.2 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -9 | 173.5 | 175 | 0 | 0 | 0 | 0 | 112.4 | R14 V19 E20 | R14-V16 PolarHBondContact O-N 3.03Å; R14-V16 VanDerWaalsContact O-N 3.17Å; V16-V19 PolarHBondContact O-N 2.82Å; V16-E20 PolarHBondContact O-N 3.5Å |
| 17 | R | 31.9 | Very low | 31.7 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 75% | 0.751 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.3 | -27 | 171.8 | -58.2 | -174.3 | -151.7 | -162.5 | 5.2 | 114 | P15 V19 | P15-R17 HydrophobicContact CB-CB 4.47Å; P15-R17 PolarHBondContact O-N 3.44Å; R17-V19 VanDerWaalsContact C-N 3.34Å |
| 18 | D | 35.3 | Very low | 31.4 | Very low | 92 Ų | 92 | 134.3 Ų | 134.3 | 49% | 0.492 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -82.2 | -16.7 | 173.8 | -67.3 | -28.3 | 0 | 0 | 0 | 112.3 | P15 T22 | P15-D18 PolarHBondContact O-N 2.96Å; D18-T22 WeakPolarHBondContact O-CB 3.46Å; D18-T22 PolarHBondContact O-N 3.41Å; D18-T22 VanDerWaalsContact O-N 3.16Å; D18-T22 PolarHBondContact O-OG1 3.21Å |
| 19 | V | 34.5 | Very low | 31 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -76.5 | -37.6 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 110 | V16 R17 T22 I23 | V16-V19 PolarHBondContact O-N 2.82Å; R17-V19 VanDerWaalsContact C-N 3.34Å; V19-T22 PolarHBondContact O-N 2.97Å; V19-I23 HydrophobicContact CG1-CD1 3.89Å; V19-I23 VanDerWaalsContact O-CD1 3.3Å; V19-I23 WeakPolarHBondContact O-CD1 3.4Å; V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 2.85Å; V19-I23 VanDerWaalsContact O-N 3.09Å |
| 20 | E | 31.4 | Very low | 30.8 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.4 | -42.3 | 173.9 | -68.2 | 177.8 | 155.5 | 0 | 0 | 111.5 | V16 T22 I23 D24 | V16-E20 PolarHBondContact O-N 3.5Å; E20-T22 VanDerWaalsContact C-N 3.31Å; E20-T22 PolarHBondContact O-N 3.43Å; E20-I23 PolarHBondContact O-N 3.23Å; E20-D24 PolarHBondContact O-N 3.2Å |
| 21 | D | 33.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.5 | -19.6 | 176.7 | -78.8 | -11.7 | 0 | 0 | 0 | 114.3 | ||
| 22 | T | 34.6 | Very low | 30.1 | Very low | 88 Ų | 88 | 120.8 Ų | 120.8 | 54% | 0.54 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -86 | -27 | 175.2 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | D18 V19 E20 K25 | D18-T22 WeakPolarHBondContact O-CB 3.46Å; D18-T22 PolarHBondContact O-N 3.41Å; D18-T22 VanDerWaalsContact O-N 3.16Å; D18-T22 PolarHBondContact O-OG1 3.21Å; V19-T22 PolarHBondContact O-N 2.97Å; E20-T22 VanDerWaalsContact C-N 3.31Å; E20-T22 PolarHBondContact O-N 3.43Å; T22-K25 PolarHBondContact O-N 3.11Å |
| 23 | I | 31.2 | Very low | 29.9 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.5 | -35.1 | 177.4 | -73.2 | 164 | 0 | 0 | 0 | 111 | V19 E20 K25 F26 | V19-I23 HydrophobicContact CG1-CD1 3.89Å; V19-I23 VanDerWaalsContact O-CD1 3.3Å; V19-I23 WeakPolarHBondContact O-CD1 3.4Å; V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 2.85Å; V19-I23 VanDerWaalsContact O-N 3.09Å; E20-I23 PolarHBondContact O-N 3.23Å; I23-K25 PolarHBondContact O-N 3.01Å; I23-F26 PolarHBondContact O-N 2.87Å |
| 24 | D | 30.5 | Very low | 29.8 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 75% | 0.749 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -10.3 | 178.3 | -89.5 | -7 | 0 | 0 | 0 | 114.6 | E20 | E20-D24 PolarHBondContact O-N 3.2Š|
| 25 | K | 28.3 | Very low | 29.7 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 77% | 0.774 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -6.7 | 175.1 | -74.8 | 176.7 | -179.7 | 168.2 | 0 | 114 | T22 I23 V27 | T22-K25 PolarHBondContact O-N 3.11Å; I23-K25 PolarHBondContact O-N 3.01Å; K25-V27 VanDerWaalsContact C-N 3.31Å; K25-V27 PolarHBondContact O-N 2.8Å; K25-V27 VanDerWaalsContact O-N 3.13Å |
| 26 | F | 27.5 | Very low | 29.6 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | trans | -86.9 | 72.7 | 171.8 | -99.8 | -94.8 | 0 | 0 | 0 | 110.7 | I23 C28 | I23-F26 PolarHBondContact O-N 2.87Å; F26-C28 HydrophobicContact CD1-CB 3.82Å; F26-C28 PolarHBondContact O-N 3.24Å | ||
| 27 | V | 24.7 | Very low | 29.3 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | trans | -68.5 | 75.2 | 156.8 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | K25 | K25-V27 VanDerWaalsContact C-N 3.31Å; K25-V27 PolarHBondContact O-N 2.8Å; K25-V27 VanDerWaalsContact O-N 3.13Å | ||
| 28 | C | 24.5 | Very low | 29.3 | Very low | 76 Ų | 76 | 120 Ų | 120 | 51% | 0.514 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -154.6 | 78.7 | -178 | -127.4 | 0 | 0 | 0 | 0 | 107.7 | F26 V30 | F26-C28 HydrophobicContact CD1-CB 3.82Å; F26-C28 PolarHBondContact O-N 3.24Å; C28-V30 VanDerWaalsContact O-CG2 3.3Å; C28-V30 WeakPolarHBondContact O-CG2 3.41Å; C28-V30 PolarHBondContact O-N 3.29Å |
| 29 | T | 25.1 | Very low | 29 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | 19.9 | 60 | 157 | -0.4 | 0 | 0 | 0 | 0 | 114.8 | F31 | T29-F31 VanDerWaalsContact C-N 3.26Å; T29-F31 PolarHBondContact O-N 2.88Å | ||
| 30 | V | 27.7 | Very low | 28.9 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | trans | -78.5 | 92.4 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 103.4 | C28 S32 | C28-V30 VanDerWaalsContact O-CG2 3.3Å; C28-V30 WeakPolarHBondContact O-CG2 3.41Å; C28-V30 PolarHBondContact O-N 3.29Å; V30-S32 PolarHBondContact O-N 3.48Å | ||
| 31 | F | 24.9 | Very low | 28.8 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 52% | 0.518 | 64% | 0.637 | S | S | . | * | trans | -51 | 115.3 | 153.2 | -75.7 | -65.7 | 0 | 0 | 0 | 105.7 | T29 L33 C99 | T29-F31 VanDerWaalsContact C-N 3.26Å; T29-F31 PolarHBondContact O-N 2.88Å; F31-L33 PolarHBondContact O-N 3.08Å; F31-C99 HydrophobicContact CD1-CB 3.78Å; F31-C99 WeakPolarHBondContact CD1-SG 3.49Å; F31-C99 HydrophobicContact CE1-CB 3.31Å; F31-C99 WeakPolarHBondContact CE1-SG 3.33Å; F31-C99 HydrophobicContact CZ-CB 3.92Å | ||
| 32 | S | 27.2 | Very low | 28.5 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | trans | -68.4 | 64.3 | 178.3 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | V30 Q34 R35 | V30-S32 PolarHBondContact O-N 3.48Å; S32-Q34 PolarHBondContact O-N 3.45Å; S32-R35 PolarHBondContact O-N 2.82Å; S32-R35 VanDerWaalsContact O-N 3.11Å | ||
| 33 | L | 27.2 | Very low | 28.2 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 53% | 0.534 | 65% | 0.645 | S | S | . | * | G | 310 helix | trans | -65.2 | -18.6 | 159.4 | -75.8 | 167 | 0 | 0 | 0 | 110 | F31 R35 L36 A95 | F31-L33 PolarHBondContact O-N 3.08Å; L33-R35 PolarHBondContact O-N 3.45Å; L33-L36 PolarHBondContact O-N 3.22Å; L33-A95 HydrophobicContact CD2-CB 4.33Å |
| 34 | Q | 29.1 | Very low | 28 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -70.8 | -7.7 | 167.7 | -78.3 | -178 | -32 | 0 | 0 | 114.7 | S32 | S32-Q34 PolarHBondContact O-N 3.45Š|
| 35 | R | 27.8 | Very low | 28 | Very low | 220 Ų | 220 | 127.4 Ų | 127.4 | 83% | 0.83 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -112.3 | 0.8 | 171.6 | -78.3 | -173 | 176.2 | 176.9 | 0.8 | 114.4 | S32 L33 Q37 | S32-R35 PolarHBondContact O-N 2.82Å; S32-R35 VanDerWaalsContact O-N 3.11Å; L33-R35 PolarHBondContact O-N 3.45Å; R35-Q37 PolarHBondContact O-N 2.89Å |
| 36 | L | 28.9 | Very low | 28.2 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 39% | 0.393 | 64% | 0.644 | S | S | . | * | trans | -96.2 | 72.3 | 164.6 | -89.8 | 147 | 0 | 0 | 0 | 107.7 | L33 T38 | L33-L36 PolarHBondContact O-N 3.22Å; L36-T38 HydrophobicContact CB-CG2 4.21Å; L36-T38 HydrophobicContact CD2-CG2 3.63Å; L36-T38 PolarHBondContact O-N 2.88Å | ||
| 37 | Q | 30.5 | Very low | 28.5 | Very low | 186 Ų | 186 | 121.6 Ų | 121.6 | 87% | 0.869 | 65% | 0.646 | S | S | * | * | trans | -63.9 | 75.7 | 154.8 | -80.1 | -176.1 | -33 | 0 | 0 | 107.2 | R35 S39 | R35-Q37 PolarHBondContact O-N 2.89Å; Q37-S39 PolarHBondContact O-N 3.03Å | ||
| 38 | T | 30.8 | Very low | 28.9 | Very low | 63 Ų | 63 | 117.8 Ų | 117.8 | 39% | 0.387 | 62% | 0.621 | S | S | . | * | trans | -77.7 | 83 | 167.9 | 53.3 | 0 | 0 | 0 | 0 | 106.7 | L36 F40 | L36-T38 HydrophobicContact CB-CG2 4.21Å; L36-T38 HydrophobicContact CD2-CG2 3.63Å; L36-T38 PolarHBondContact O-N 2.88Å; T38-F40 PolarHBondContact O-N 3.31Å | ||
| 39 | S | 30.3 | Very low | 29.5 | Very low | 99 Ų | 99 | 116 Ų | 116 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | trans | -64.7 | 112.8 | 161 | 53.7 | 0 | 0 | 0 | 0 | 107.5 | Q37 | Q37-S39 PolarHBondContact O-N 3.03Š| ||
| 40 | F | 32 | Very low | 30.2 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | trans | -86.8 | 111 | 168.6 | -77.7 | -88.8 | 0 | 0 | 0 | 108.1 | T38 S42 F87 | T38-F40 PolarHBondContact O-N 3.31Å; F40-S42 PolarHBondContact O-N 3.27Å; F40-F87 AromaticContact CD2-CE2 3.99Å; F40-F87 HydrophobicContact CD2-CE2 3.99Å; F40-F87 HydrophobicContact CD2-CZ 4.49Å; F40-F87 AromaticContact CE2-CE2 3.68Å; F40-F87 HydrophobicContact CE2-CE2 3.68Å; F40-F87 HydrophobicContact CE2-CZ 4.19Å; F40-F87 HydrophobicContact CZ-CE2 4.08Å | ||
| 41 | R | 29.6 | Very low | 31 | Very low | 209 Ų | 209 | 116.4 Ų | 116.4 | 79% | 0.789 | 60% | 0.599 | S | S | * | * | trans | -80.4 | 105.2 | 168.4 | -166 | 176.8 | -174.2 | -164.3 | 0.4 | 107.6 | ||||
| 42 | S | 26.4 | Very low | 31.9 | Very low | 62 Ų | 62 | 112.7 Ų | 112.7 | 43% | 0.434 | 59% | 0.585 | S | S | . | * | trans | -56 | 139.3 | 163.4 | 163.2 | 0 | 0 | 0 | 0 | 108.9 | F40 Y44 | F40-S42 PolarHBondContact O-N 3.27Å; S42-Y44 PolarHBondContact O-N 3.35Å; S42-Y44 PolarHBondContact OG-N 2.97Å | ||
| 43 | C | 28.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 114 Ų | 114 | 87% | 0.865 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -63 | 6.6 | 174.9 | -51.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 44 | Y | 26 | Very low | 33.5 | Very low | 189 Ų | 189 | 112.9 Ų | 112.9 | 74% | 0.741 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -120.3 | 84.7 | 179.4 | -62 | -83.1 | 0 | 0 | 0 | 110 | S42 V46 | S42-Y44 PolarHBondContact O-N 3.35Å; S42-Y44 PolarHBondContact OG-N 2.97Å; Y44-V46 PolarHBondContact O-N 2.95Å |
| 45 | A | 30.2 | Very low | 34 | Very low | 105 Ų | 105 | 106.8 Ų | 106.8 | 87% | 0.868 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 41.9 | 6.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||
| 46 | V | 33 | Very low | 34.5 | Very low | 76 Ų | 76 | 104.5 Ų | 104.5 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -142.1 | 123.4 | 178.9 | -167.9 | 0 | 0 | 0 | 0 | 109.2 | Y44 D48 | Y44-V46 PolarHBondContact O-N 2.95Å; V46-D48 VanDerWaalsContact C-N 3.26Å; V46-D48 WeakPolarHBondContact CG1-OD1 3.49Å; V46-D48 PolarHBondContact O-N 3.39Å |
| 47 | D | 34 | Very low | 34.9 | Very low | 128 Ų | 128 | 104.6 Ų | 104.6 | 68% | 0.684 | 56% | 0.562 | S | S | * | * | trans | -72 | 74.8 | -178.8 | -67.6 | -45.8 | 0 | 0 | 0 | 111.4 | A49 | D47-A49 PolarHBondContact O-N 2.79Š| ||
| 48 | D | 33.9 | Very low | 35.4 | Very low | 61 Ų | 61 | 103.7 Ų | 103.7 | 33% | 0.326 | 56% | 0.555 | S | S | . | * | trans | -87.2 | 103.5 | 174.3 | -67.9 | -10.4 | 0 | 0 | 0 | 109.4 | V46 F50 G67 G68 | V46-D48 VanDerWaalsContact C-N 3.26Å; V46-D48 WeakPolarHBondContact CG1-OD1 3.49Å; V46-D48 PolarHBondContact O-N 3.39Å; D48-F50 HydrophobicContact CB-CE2 4.17Å; D48-F50 HydrophobicContact CB-CZ 4.39Å; D48-G67 VanDerWaalsContact OD1-O 3.09Å; D48-G68 WeakPolarHBondContact OD1-CA 3.34Å; D48-G68 PolarHBondContact OD1-N 3.31Å | ||
| 49 | A | 37.5 | Very low | 35.8 | Very low | 39 Ų | 39 | 106.3 Ų | 106.3 | 32% | 0.322 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 139.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D47 T66 | D47-A49 PolarHBondContact O-N 2.79Å; A49-T66 WeakPolarHBondContact CB-O 3.47Å; A49-T66 CarbonylContact O-C 3.58Å; A49-T66 WeakPolarHBondContact O-CA 3.11Å; A49-T66 PolarHBondContact O-N 3.34Å; A49-T66 VanDerWaalsContact O-O 3.06Å; A49-T66 PolarHBondContact O-OG1 3.45Å |
| 50 | F | 39.8 | Very low | 36.5 | Very low | 136 Ų | 136 | 106 Ų | 106 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.3 | 175 | -62.4 | -89.4 | 0 | 0 | 0 | 109.4 | D48 P65 | D48-F50 HydrophobicContact CB-CE2 4.17Å; D48-F50 HydrophobicContact CB-CZ 4.39Å; F50-P65 HydrophobicContact CD1-CB 4.16Å; F50-P65 HydrophobicContact CE1-CB 3.91Å |
| 51 | I | 44.4 | Very low | 36.8 | Very low | 92 Ų | 92 | 106.1 Ų | 106.1 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.9 | 166.3 | -61.5 | 177.5 | 0 | 0 | 0 | 107.2 | L53 A63 N64 T66 | I51-L53 HydrophobicContact CG2-CG 4.21Å; I51-A63 WeakPolarHBondContact O-CA 3.4Å; I51-N64 PolarHBondContact N-O 3.45Å; I51-N64 PolarHBondContact O-N 3.42Å; I51-T66 HydrophobicContact CD1-CG2 3.78Å; I51-T66 HydrophobicContact CG1-CG2 4.05Å |
| 52 | V | 43 | Very low | 37.5 | Very low | 40 Ų | 40 | 100.9 Ų | 100.9 | 24% | 0.242 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.4 | 171.7 | -168.6 | 0 | 0 | 0 | 0 | 108.4 | F54 Q60 A63 | V52-F54 HydrophobicContact CB-CE2 4.04Å; V52-F54 HydrophobicContact CB-CZ 4.45Å; V52-F54 HydrophobicContact CG1-CD2 4.19Å; V52-F54 HydrophobicContact CG1-CE1 4.27Å; V52-F54 HydrophobicContact CG1-CE2 3.4Å; V52-F54 VanDerWaalsContact CG1-CE2 3.4Å; V52-F54 HydrophobicContact CG1-CZ 3.43Å; V52-F54 VanDerWaalsContact CG1-CZ 3.43Å; V52-Q60 HydrophobicContact CG1-CG 4.23Å; V52-A63 HydrophobicContact CG2-CB 4.31Å |
| 53 | L | 43.3 | Very low | 38.2 | Very low | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.9 | 176.1 | -72.5 | 155.9 | 0 | 0 | 0 | 109.2 | I51 L61 Q62 | I51-L53 HydrophobicContact CG2-CG 4.21Å; L53-L61 HydrophobicContact CB-CB 4.43Å; L53-L61 PolarHBondContact O-N 2.63Å; L53-Q62 PolarHBondContact N-O 2.69Å |
| 54 | F | 44.2 | Very low | 38.9 | Very low | 79 Ų | 79 | 97.5 Ų | 97.5 | 35% | 0.346 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 148.7 | 174.6 | -65.8 | -85.5 | 0 | 0 | 0 | 110.7 | V52 H59 Q60 L88 | V52-F54 HydrophobicContact CB-CE2 4.04Å; V52-F54 HydrophobicContact CB-CZ 4.45Å; V52-F54 HydrophobicContact CG1-CD2 4.19Å; V52-F54 HydrophobicContact CG1-CE1 4.27Å; V52-F54 HydrophobicContact CG1-CE2 3.4Å; V52-F54 VanDerWaalsContact CG1-CE2 3.4Å; V52-F54 HydrophobicContact CG1-CZ 3.43Å; V52-F54 VanDerWaalsContact CG1-CZ 3.43Å; F54-H59 CarbonylContact C-O 3.6Å; F54-H59 VanDerWaalsContact CA-O 3.31Å; F54-H59 WeakPolarHBondContact CA-O 3.44Å; F54-Q60 HydrophobicContact CD1-CB 4.39Å; F54-Q60 HydrophobicContact CE1-CB 4.14Å; F54-L88 HydrophobicContact CE1-CD2 4.29Å; F54-L88 HydrophobicContact CE2-CD2 4.46Å; F54-L88 HydrophobicContact CZ-CD2 3.59Å |
| 55 | D | 39.8 | Very low | 39.5 | Very low | 46 Ų | 46 | 93 Ų | 93 | 25% | 0.246 | 51% | 0.508 | C | S | . | . | trans | -76.9 | 172.6 | 165.3 | 78.5 | -2 | 0 | 0 | 0 | 110.9 | S57 F58 H59 L61 | D55-S57 PolarHBondContact O-N 3.11Å; D55-S57 VanDerWaalsContact O-N 3.08Å; D55-S57 WeakPolarHBondContact OD1-CA 3.44Å; D55-S57 WeakPolarHBondContact OD1-CB 3.2Å; D55-S57 PolarHBondContact OD1-N 3.43Å; D55-F58 PolarHBondContact O-N 2.96Å; D55-F58 VanDerWaalsContact O-N 3.09Å; D55-F58 PolarHBondContact OD1-N 2.81Å; D55-H59 PolarHBondContact N-O 2.7Å; D55-H59 WeakPolarHBondContact OD1-CA 3.5Å; D55-H59 WeakPolarHBondContact OD1-CB 3.28Å; D55-H59 IonicContact OD1-CG 2.92Å; D55-H59 PolarHBondContact OD1-N 3.47Å; D55-H59 IonicContact OD1-ND1 2.74Å; D55-H59 IonicContact OD2-CG 3.61Å; D55-H59 IonicContact OD2-ND1 3.57Å; D55-H59 PolarHBondContact OD2-ND1 3.19Å; D55-L61 HydrophobicContact CB-CD1 3.73Å; D55-L61 HydrophobicContact CB-CD2 3.92Å; D55-L61 HydrophobicContact CB-CG 3.78Å | ||
| 56 | N | 38.1 | Very low | 40 | Very low | 172 Ų | 172 | 91 Ų | 91 | 92% | 0.92 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -7.8 | 176.8 | -66.3 | -30.9 | 0 | 0 | 0 | 113.9 | ||
| 57 | S | 38 | Very low | 40.1 | Very low | 78 Ų | 78 | 88.9 Ų | 88.9 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 8.9 | 177.3 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | D55 H59 | D55-S57 PolarHBondContact O-N 3.11Å; D55-S57 VanDerWaalsContact O-N 3.08Å; D55-S57 WeakPolarHBondContact OD1-CA 3.44Å; D55-S57 WeakPolarHBondContact OD1-CB 3.2Å; D55-S57 PolarHBondContact OD1-N 3.43Å; S57-H59 VanDerWaalsContact C-N 3.27Å; S57-H59 WeakPolarHBondContact CB-ND1 3.45Å; S57-H59 PolarHBondContact O-N 2.85Å |
| 58 | F | 39.8 | Very low | 40.1 | Very low | 166 Ų | 166 | 85 Ų | 85 | 73% | 0.728 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 65.1 | 18.2 | -174.9 | -56.3 | -88 | 0 | 0 | 0 | 115.6 | D55 | D55-F58 PolarHBondContact O-N 2.96Å; D55-F58 VanDerWaalsContact O-N 3.09Å; D55-F58 PolarHBondContact OD1-N 2.81Å |
| 59 | H | 39.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 88.3 Ų | 88.3 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | trans | -77.2 | 133.6 | 165.3 | -53.4 | 116 | 0 | 0 | 0 | 110 | F54 D55 S57 L61 | F54-H59 CarbonylContact C-O 3.6Å; F54-H59 VanDerWaalsContact CA-O 3.31Å; F54-H59 WeakPolarHBondContact CA-O 3.44Å; D55-H59 PolarHBondContact N-O 2.7Å; D55-H59 WeakPolarHBondContact OD1-CA 3.5Å; D55-H59 WeakPolarHBondContact OD1-CB 3.28Å; D55-H59 IonicContact OD1-CG 2.92Å; D55-H59 PolarHBondContact OD1-N 3.47Å; D55-H59 IonicContact OD1-ND1 2.74Å; D55-H59 IonicContact OD2-CG 3.61Å; D55-H59 IonicContact OD2-ND1 3.57Å; D55-H59 PolarHBondContact OD2-ND1 3.19Å; S57-H59 VanDerWaalsContact C-N 3.27Å; S57-H59 WeakPolarHBondContact CB-ND1 3.45Å; S57-H59 PolarHBondContact O-N 2.85Å; H59-L61 PolarHBondContact O-N 3.16Å | ||
| 60 | Q | 45.2 | Very low | 40 | Very low | 91 Ų | 91 | 91.3 Ų | 91.3 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 116.2 | 171.9 | 179.4 | -178.1 | -12 | 0 | 0 | 109.1 | V52 F54 Y84 | V52-Q60 HydrophobicContact CG1-CG 4.23Å; F54-Q60 HydrophobicContact CD1-CB 4.39Å; F54-Q60 HydrophobicContact CE1-CB 4.14Å; Q60-Y84 PolarHBondContact OE1-OH 3.21Å |
| 61 | L | 39 | Very low | 39.6 | Very low | 117 Ų | 117 | 90.5 Ų | 90.5 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -37.2 | 176.6 | -71 | 174.4 | 0 | 0 | 0 | 111.2 | L53 D55 H59 | L53-L61 HydrophobicContact CB-CB 4.43Å; L53-L61 PolarHBondContact O-N 2.63Å; D55-L61 HydrophobicContact CB-CD1 3.73Å; D55-L61 HydrophobicContact CB-CD2 3.92Å; D55-L61 HydrophobicContact CB-CG 3.78Å; H59-L61 PolarHBondContact O-N 3.16Å |
| 62 | Q | 43.6 | Very low | 39.2 | Very low | 98 Ų | 98 | 94.9 Ų | 94.9 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 139.1 | -179.8 | -164.8 | 165.1 | 1.8 | 0 | 0 | 110.7 | L53 N64 | L53-Q62 PolarHBondContact N-O 2.69Å; Q62-N64 PolarHBondContact NE2-ND2 2.97Å; Q62-N64 PolarHBondContact NE2-OD1 3.38Å |
| 63 | A | 41.7 | Very low | 38.8 | Very low | 40 Ų | 40 | 100.4 Ų | 100.4 | 33% | 0.331 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | I51 V52 | I51-A63 WeakPolarHBondContact O-CA 3.4Å; V52-A63 HydrophobicContact CG2-CB 4.31Å |
| 64 | N | 43 | Very low | 38.4 | Very low | 80 Ų | 80 | 101.8 Ų | 101.8 | 43% | 0.428 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.5 | 172.5 | -86.6 | 2.2 | 0 | 0 | 0 | 108.7 | I51 Q62 T66 | I51-N64 PolarHBondContact N-O 3.45Å; I51-N64 PolarHBondContact O-N 3.42Å; Q62-N64 PolarHBondContact NE2-ND2 2.97Å; Q62-N64 PolarHBondContact NE2-OD1 3.38Å; N64-T66 PolarHBondContact O-N 3.47Å |
| 65 | P | 39.1 | Very low | 37.6 | Very low | 93 Ų | 93 | 106 Ų | 106 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.4 | 116.9 | 162.5 | 27.1 | -30 | 0 | 0 | 0 | 107.6 | F50 | F50-P65 HydrophobicContact CD1-CB 4.16Å; F50-P65 HydrophobicContact CE1-CB 3.91Å |
| 66 | T | 40.3 | Very low | 37.1 | Very low | 63 Ų | 63 | 107.5 Ų | 107.5 | 39% | 0.387 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 74.8 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 107.7 | A49 I51 N64 | A49-T66 WeakPolarHBondContact CB-O 3.47Å; A49-T66 CarbonylContact O-C 3.58Å; A49-T66 WeakPolarHBondContact O-CA 3.11Å; A49-T66 PolarHBondContact O-N 3.34Å; A49-T66 VanDerWaalsContact O-O 3.06Å; A49-T66 PolarHBondContact O-OG1 3.45Å; I51-T66 HydrophobicContact CD1-CG2 3.78Å; I51-T66 HydrophobicContact CG1-CG2 4.05Å; N64-T66 PolarHBondContact O-N 3.47Å |
| 67 | G | 35.1 | Very low | 36.9 | Very low | 33 Ų | 33 | 106.7 Ų | 106.7 | 34% | 0.34 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 147.1 | 133.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D48 | D48-G67 VanDerWaalsContact OD1-O 3.09Š|
| 68 | G | 33.8 | Very low | 36.8 | Very low | 46 Ų | 46 | 110 Ų | 110 | 47% | 0.474 | 61% | 0.61 | S | S | . | * | trans | 109.1 | 114.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D48 C70 | D48-G68 WeakPolarHBondContact OD1-CA 3.34Å; D48-G68 PolarHBondContact OD1-N 3.31Å; G68-C70 VanDerWaalsContact C-N 3.31Å; G68-C70 PolarHBondContact O-N 3.09Å | ||
| 69 | T | 34.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | trans | -65.3 | 92 | 163.6 | 48.5 | 0 | 0 | 0 | 0 | 108.5 | N71 | T69-N71 VanDerWaalsContact C-N 3.27Å; T69-N71 PolarHBondContact O-N 2.83Å | ||
| 70 | C | 34.2 | Very low | 36.5 | Very low | 102 Ų | 102 | 102.5 Ų | 102.5 | 69% | 0.689 | 59% | 0.59 | S | S | * | * | trans | -62 | 91.9 | 166.5 | 170.8 | 0 | 0 | 0 | 0 | 108.4 | G68 Q72 | G68-C70 VanDerWaalsContact C-N 3.31Å; G68-C70 PolarHBondContact O-N 3.09Å; C70-Q72 PolarHBondContact O-N 3.45Å | ||
| 71 | N | 31.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 104.5 Ų | 104.5 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | trans | -65.9 | 125.2 | 158.2 | -85.8 | -23.5 | 0 | 0 | 0 | 106.5 | T69 N73 N74 | T69-N71 VanDerWaalsContact C-N 3.27Å; T69-N71 PolarHBondContact O-N 2.83Å; N71-N73 PolarHBondContact O-N 3.13Å; N71-N74 PolarHBondContact O-N 3.21Å | ||
| 72 | Q | 35.9 | Very low | 35.5 | Very low | 184 Ų | 184 | 103.5 Ų | 103.5 | 86% | 0.86 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -7.4 | -177.8 | -73.5 | 177.5 | -11.7 | 0 | 0 | 115 | C70 | C70-Q72 PolarHBondContact O-N 3.45Š|
| 73 | N | 35.2 | Very low | 35.3 | Very low | 156 Ų | 156 | 102.6 Ų | 102.6 | 83% | 0.834 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -6.6 | 176 | -66.4 | -9 | 0 | 0 | 0 | 114.3 | N71 | N71-N73 PolarHBondContact O-N 3.13Š|
| 74 | N | 34.2 | Very low | 35.3 | Very low | 125 Ų | 125 | 103.2 Ų | 103.2 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | trans | -103.5 | 91.1 | 169 | -91 | -8.4 | 0 | 0 | 0 | 107.9 | N71 A76 | N71-N74 PolarHBondContact O-N 3.21Å; N74-A76 PolarHBondContact O-N 3.19Å | ||
| 75 | L | 27.8 | Very low | 35.2 | Very low | 169 Ų | 169 | 106 Ų | 106 | 89% | 0.885 | 60% | 0.603 | S | S | * | * | trans | -61.3 | 86.2 | 154.2 | -89.1 | 109.2 | 0 | 0 | 0 | 106.8 | H77 | L75-H77 PolarHBondContact O-N 2.74Å; L75-H77 VanDerWaalsContact O-N 3.07Å | ||
| 76 | A | 30.5 | Very low | 35.3 | Very low | 77 Ų | 77 | 107.7 Ų | 107.7 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | trans | -51.5 | 117.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | N74 I78 | N74-A76 PolarHBondContact O-N 3.19Å; A76-I78 PolarHBondContact O-N 3.04Å | ||
| 77 | H | 32.5 | Very low | 35.8 | Very low | 155 Ų | 155 | 108.1 Ų | 108.1 | 72% | 0.718 | 60% | 0.602 | S | S | * | * | trans | -42.3 | 102.1 | 176.5 | -173.4 | -81.6 | 0 | 0 | 0 | 108.8 | L75 P79 | L75-H77 PolarHBondContact O-N 2.74Å; L75-H77 VanDerWaalsContact O-N 3.07Å; H77-P79 WeakPolarHBondContact O-CD 3.13Å | ||
| 78 | I | 35.7 | Very low | 36.6 | Very low | 147 Ų | 147 | 109 Ų | 109 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | trans | -57.9 | 111.9 | 169.9 | -63.6 | 170.9 | 0 | 0 | 0 | 103.8 | A76 S80 | A76-I78 PolarHBondContact O-N 3.04Å; I78-S80 PolarHBondContact O-N 3.44Å; I78-S80 VanDerWaalsContact O-N 3.08Å | ||
| 79 | P | 40 | Very low | 37.4 | Very low | 77 Ų | 77 | 112.8 Ų | 112.8 | 50% | 0.5 | 61% | 0.608 | S | S | . | * | trans | -53.1 | 126.6 | 176 | 20.1 | -29.3 | 0 | 0 | 0 | 106.3 | H77 D83 | H77-P79 WeakPolarHBondContact O-CD 3.13Å; P79-D83 HydrophobicContact CB-CB 3.86Å | ||
| 80 | S | 32.8 | Very low | 38.3 | Very low | 50 Ų | 50 | 111.5 Ų | 111.5 | 35% | 0.35 | 60% | 0.595 | S | S | . | * | trans | -55.9 | 152.5 | -177.6 | 73.1 | 0 | 0 | 0 | 0 | 108 | I78 T82 D83 Y84 | I78-S80 PolarHBondContact O-N 3.44Å; I78-S80 VanDerWaalsContact O-N 3.08Å; S80-T82 CarbonylContact O-C 3.54Å; S80-T82 PolarHBondContact O-N 2.92Å; S80-T82 WeakPolarHBondContact OG-CB 3.4Å; S80-T82 PolarHBondContact OG-OG1 3.5Å; S80-D83 PolarHBondContact N-OD2 3.2Å; S80-D83 PolarHBondContact O-N 3.46Å; S80-D83 PolarHBondContact OG-OD2 3.43Å; S80-Y84 PolarHBondContact O-N 2.92Å | ||
| 81 | L | 30.1 | Very low | 39.3 | Very low | 134 Ų | 134 | 109.2 Ų | 109.2 | 70% | 0.702 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -49.5 | -23.3 | 179.5 | -149.8 | 88.7 | 0 | 0 | 0 | 112.8 | K85 | L81-K85 WeakPolarHBondContact O-CG 3.37Å; L81-K85 PolarHBondContact O-N 3.03Å |
| 82 | T | 34.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 109.6 Ų | 109.6 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.6 | -44.1 | 173.9 | -22.3 | 0 | 0 | 0 | 0 | 113.5 | S80 Y84 K85 L86 | S80-T82 CarbonylContact O-C 3.54Å; S80-T82 PolarHBondContact O-N 2.92Å; S80-T82 WeakPolarHBondContact OG-CB 3.4Å; S80-T82 PolarHBondContact OG-OG1 3.5Å; T82-Y84 VanDerWaalsContact C-N 3.33Å; T82-K85 PolarHBondContact O-N 2.84Å; T82-L86 PolarHBondContact O-N 3.17Å; T82-L86 VanDerWaalsContact O-N 3.13Å |
| 83 | D | 38.3 | Very low | 40.9 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.2 | -35.8 | -178.5 | -58.7 | -49.6 | 0 | 0 | 0 | 110.9 | P79 S80 L86 F87 | P79-D83 HydrophobicContact CB-CB 3.86Å; S80-D83 PolarHBondContact N-OD2 3.2Å; S80-D83 PolarHBondContact O-N 3.46Å; S80-D83 PolarHBondContact OG-OD2 3.43Å; D83-L86 PolarHBondContact O-N 3.3Å; D83-F87 WeakPolarHBondContact O-CB 3.44Å; D83-F87 PolarHBondContact O-N 2.67Å |
| 84 | Y | 42.5 | Very low | 41.6 | Very low | 54 Ų | 54 | 98.5 Ų | 98.5 | 21% | 0.212 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 174 | -172.4 | -108.4 | 0 | 0 | 0 | 112.5 | Q60 S80 T82 F87 L88 | Q60-Y84 PolarHBondContact OE1-OH 3.21Å; S80-Y84 PolarHBondContact O-N 2.92Å; T82-Y84 VanDerWaalsContact C-N 3.33Å; Y84-F87 PolarHBondContact O-N 2.84Å; Y84-L88 HydrophobicContact CD1-CD1 3.7Å; Y84-L88 HydrophobicContact CD1-CG 4.26Å; Y84-L88 HydrophobicContact CE1-CD1 3.27Å; Y84-L88 HydrophobicContact CE1-CD2 4.47Å; Y84-L88 HydrophobicContact CE1-CG 3.94Å; Y84-L88 HydrophobicContact CE2-CG 4.43Å; Y84-L88 WeakPolarHBondContact O-CB 3.49Å; Y84-L88 WeakPolarHBondContact O-CG 2.98Å; Y84-L88 PolarHBondContact O-N 2.99Å |
| 85 | K | 40.2 | Very low | 42.4 | Very low | 139 Ų | 139 | 93.4 Ų | 93.4 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 175.3 | -74 | 176.5 | -175.6 | -177.1 | 0 | 111.7 | L81 T82 L89 | L81-K85 WeakPolarHBondContact O-CG 3.37Å; L81-K85 PolarHBondContact O-N 3.03Å; T82-K85 PolarHBondContact O-N 2.84Å; K85-L89 WeakPolarHBondContact O-CB 3.42Å; K85-L89 PolarHBondContact O-N 2.69Å |
| 86 | L | 42.6 | Very low | 43.3 | Very low | 127 Ų | 127 | 89.9 Ų | 89.9 | 67% | 0.665 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 177.5 | -142.6 | 97.2 | 0 | 0 | 0 | 111.1 | T82 D83 L89 L90 | T82-L86 PolarHBondContact O-N 3.17Å; T82-L86 VanDerWaalsContact O-N 3.13Å; D83-L86 PolarHBondContact O-N 3.3Å; L86-L89 PolarHBondContact O-N 2.96Å; L86-L90 WeakPolarHBondContact O-CB 3.35Å; L86-L90 PolarHBondContact O-N 3.24Å |
| 87 | F | 50.4 | Low | 44.1 | Very low | 72 Ų | 72 | 92 Ų | 92 | 32% | 0.316 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 175.9 | 177 | -99.8 | 0 | 0 | 0 | 112.2 | F40 D83 Y84 L89 L90 L91 | F40-F87 AromaticContact CD2-CE2 3.99Å; F40-F87 HydrophobicContact CD2-CE2 3.99Å; F40-F87 HydrophobicContact CD2-CZ 4.49Å; F40-F87 AromaticContact CE2-CE2 3.68Å; F40-F87 HydrophobicContact CE2-CE2 3.68Å; F40-F87 HydrophobicContact CE2-CZ 4.19Å; F40-F87 HydrophobicContact CZ-CE2 4.08Å; D83-F87 WeakPolarHBondContact O-CB 3.44Å; D83-F87 PolarHBondContact O-N 2.67Å; Y84-F87 PolarHBondContact O-N 2.84Å; F87-L89 VanDerWaalsContact C-N 3.32Å; F87-L89 PolarHBondContact O-N 2.75Å; F87-L90 PolarHBondContact O-N 3.34Å; F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 2.8Å |
| 88 | L | 52 | Low | 44.5 | Very low | 52 Ų | 52 | 87.4 Ų | 87.4 | 27% | 0.272 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175.4 | -74.4 | 177.2 | 0 | 0 | 0 | 112.2 | F54 Y84 L90 L91 F92 | F54-L88 HydrophobicContact CE1-CD2 4.29Å; F54-L88 HydrophobicContact CE2-CD2 4.46Å; F54-L88 HydrophobicContact CZ-CD2 3.59Å; Y84-L88 HydrophobicContact CD1-CD1 3.7Å; Y84-L88 HydrophobicContact CD1-CG 4.26Å; Y84-L88 HydrophobicContact CE1-CD1 3.27Å; Y84-L88 HydrophobicContact CE1-CD2 4.47Å; Y84-L88 HydrophobicContact CE1-CG 3.94Å; Y84-L88 HydrophobicContact CE2-CG 4.43Å; Y84-L88 WeakPolarHBondContact O-CB 3.49Å; Y84-L88 WeakPolarHBondContact O-CG 2.98Å; Y84-L88 PolarHBondContact O-N 2.99Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L88-L91 PolarHBondContact O-N 2.95Å; L88-F92 VanDerWaalsContact O-CB 3.22Å; L88-F92 WeakPolarHBondContact O-CB 3.37Å; L88-F92 PolarHBondContact O-N 3.4Å |
| 89 | L | 50.6 | Low | 44.7 | Very low | 126 Ų | 126 | 82.2 Ų | 82.2 | 66% | 0.66 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 176.2 | -162.3 | 83.5 | 0 | 0 | 0 | 111 | K85 L86 F87 A93 | K85-L89 WeakPolarHBondContact O-CB 3.42Å; K85-L89 PolarHBondContact O-N 2.69Å; L86-L89 PolarHBondContact O-N 2.96Å; F87-L89 VanDerWaalsContact C-N 3.32Å; F87-L89 PolarHBondContact O-N 2.75Å; L89-A93 VanDerWaalsContact O-CB 3.31Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 3.34Å |
| 90 | L | 53.2 | Low | 44.6 | Very low | 103 Ų | 103 | 81.5 Ų | 81.5 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 178.8 | -166.7 | 71.1 | 0 | 0 | 0 | 111.7 | L86 F87 L88 A93 T94 | L86-L90 WeakPolarHBondContact O-CB 3.35Å; L86-L90 PolarHBondContact O-N 3.24Å; F87-L90 PolarHBondContact O-N 3.34Å; L88-L90 VanDerWaalsContact C-N 3.33Å; L90-A93 PolarHBondContact O-N 3.11Å; L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 2.85Å; L90-T94 PolarHBondContact O-OG1 3.35Å |
| 91 | L | 55.1 | Low | 44.6 | Very low | 54 Ų | 54 | 84.1 Ų | 84.1 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176 | -169.1 | 73.6 | 0 | 0 | 0 | 110.9 | F87 L88 T94 A95 | F87-L91 WeakPolarHBondContact O-CB 3.45Å; F87-L91 PolarHBondContact O-N 2.8Å; L88-L91 PolarHBondContact O-N 2.95Å; L91-T94 PolarHBondContact O-N 3.39Å; L91-A95 VanDerWaalsContact O-CB 3.22Å; L91-A95 WeakPolarHBondContact O-CB 3.3Å; L91-A95 PolarHBondContact O-N 3.42Å |
| 92 | F | 51.8 | Low | 45 | Very low | 126 Ų | 126 | 81.2 Ų | 81.2 | 55% | 0.553 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 175.7 | -170.9 | -102.3 | 0 | 0 | 0 | 112 | L88 L96 | L88-F92 VanDerWaalsContact O-CB 3.22Å; L88-F92 WeakPolarHBondContact O-CB 3.37Å; L88-F92 PolarHBondContact O-N 3.4Å; F92-L96 HydrophobicContact CD1-CD1 3.64Å; F92-L96 HydrophobicContact CD1-CG 4.33Å; F92-L96 HydrophobicContact CE1-CD1 3.36Å; F92-L96 HydrophobicContact CE1-CG 4.11Å; F92-L96 HydrophobicContact CZ-CD1 4.07Å; F92-L96 HydrophobicContact CZ-CG 4.42Å; F92-L96 WeakPolarHBondContact O-CB 3.45Å; F92-L96 WeakPolarHBondContact O-CG 3.34Å; F92-L96 PolarHBondContact O-N 2.7Å |
| 93 | A | 49.3 | Very low | 45.2 | Very low | 40 Ų | 40 | 80 Ų | 80 | 33% | 0.331 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L89 L90 L96 I97 | L89-A93 VanDerWaalsContact O-CB 3.31Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 3.34Å; L90-A93 PolarHBondContact O-N 3.11Å; A93-L96 PolarHBondContact O-N 3.33Å; A93-I97 WeakPolarHBondContact O-CB 3.29Å; A93-I97 WeakPolarHBondContact O-CD1 3.25Å; A93-I97 WeakPolarHBondContact O-CG1 3.07Å; A93-I97 PolarHBondContact O-N 2.89Å |
| 94 | T | 50.5 | Low | 45.2 | Very low | 67 Ų | 67 | 85.4 Ų | 85.4 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.5 | -37.5 | -179.7 | -44.2 | 0 | 0 | 0 | 0 | 111.3 | L90 L91 I97 S98 | L90-T94 WeakPolarHBondContact O-CB 3.3Å; L90-T94 PolarHBondContact O-N 2.85Å; L90-T94 PolarHBondContact O-OG1 3.35Å; L91-T94 PolarHBondContact O-N 3.39Å; T94-I97 PolarHBondContact O-N 3.41Å; T94-S98 VanDerWaalsContact O-CB 3.28Å; T94-S98 WeakPolarHBondContact O-CB 3.28Å; T94-S98 PolarHBondContact O-N 3.35Å; T94-S98 PolarHBondContact O-OG 3.08Å |
| 95 | A | 49 | Very low | 45.1 | Very low | 18 Ų | 18 | 86 Ų | 86 | 15% | 0.149 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | L33 L91 I97 S98 C99 | L33-A95 HydrophobicContact CD2-CB 4.33Å; L91-A95 VanDerWaalsContact O-CB 3.22Å; L91-A95 WeakPolarHBondContact O-CB 3.3Å; L91-A95 PolarHBondContact O-N 3.42Å; A95-I97 PolarHBondContact O-N 3.21Å; A95-S98 WeakPolarHBondContact CA-OG 3.15Å; A95-S98 PolarHBondContact O-N 3.16Å; A95-S98 VanDerWaalsContact O-N 3.16Å; A95-S98 PolarHBondContact O-OG 3.18Å; A95-C99 WeakPolarHBondContact O-CB 3.17Å; A95-C99 PolarHBondContact O-N 3.09Å; A95-C99 PolarHBondContact O-SG 2.78Å |
| 96 | L | 47.2 | Very low | 45 | Very low | 95 Ų | 95 | 81.4 Ų | 81.4 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.2 | -38.2 | 175.1 | -80.7 | 171.6 | 0 | 0 | 0 | 112.8 | F92 A93 I100 | F92-L96 HydrophobicContact CD1-CD1 3.64Å; F92-L96 HydrophobicContact CD1-CG 4.33Å; F92-L96 HydrophobicContact CE1-CD1 3.36Å; F92-L96 HydrophobicContact CE1-CG 4.11Å; F92-L96 HydrophobicContact CZ-CD1 4.07Å; F92-L96 HydrophobicContact CZ-CG 4.42Å; F92-L96 WeakPolarHBondContact O-CB 3.45Å; F92-L96 WeakPolarHBondContact O-CG 3.34Å; F92-L96 PolarHBondContact O-N 2.7Å; A93-L96 PolarHBondContact O-N 3.33Å; L96-I100 VanDerWaalsContact O-CD1 3.24Å; L96-I100 WeakPolarHBondContact O-CD1 3.08Å; L96-I100 WeakPolarHBondContact O-CG1 3.24Å |
| 97 | I | 47 | Very low | 45.2 | Very low | 121 Ų | 121 | 81.1 Ų | 81.1 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -75.8 | -36.2 | 178.9 | -66.5 | 162.3 | 0 | 0 | 0 | 112 | A93 T94 A95 I100 | A93-I97 WeakPolarHBondContact O-CB 3.29Å; A93-I97 WeakPolarHBondContact O-CD1 3.25Å; A93-I97 WeakPolarHBondContact O-CG1 3.07Å; A93-I97 PolarHBondContact O-N 2.89Å; T94-I97 PolarHBondContact O-N 3.41Å; A95-I97 PolarHBondContact O-N 3.21Å; I97-I100 WeakPolarHBondContact O-CB 3.36Å; I97-I100 PolarHBondContact O-N 2.9Å |
| 98 | S | 41.5 | Very low | 45 | Very low | 60 Ų | 60 | 80.4 Ų | 80.4 | 42% | 0.42 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -82.6 | -23.9 | 179.5 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | T94 A95 I100 | T94-S98 VanDerWaalsContact O-CB 3.28Å; T94-S98 WeakPolarHBondContact O-CB 3.28Å; T94-S98 PolarHBondContact O-N 3.35Å; T94-S98 PolarHBondContact O-OG 3.08Å; A95-S98 WeakPolarHBondContact CA-OG 3.15Å; A95-S98 PolarHBondContact O-N 3.16Å; A95-S98 VanDerWaalsContact O-N 3.16Å; A95-S98 PolarHBondContact O-OG 3.18Å; S98-I100 PolarHBondContact O-N 2.82Å |
| 99 | C | 39.4 | Very low | 44.9 | Very low | 37 Ų | 37 | 84.1 Ų | 84.1 | 25% | 0.25 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 6.7 | 165.8 | -65 | 0 | 0 | 0 | 0 | 112.8 | F31 A95 P101 | F31-C99 HydrophobicContact CD1-CB 3.78Å; F31-C99 WeakPolarHBondContact CD1-SG 3.49Å; F31-C99 HydrophobicContact CE1-CB 3.31Å; F31-C99 WeakPolarHBondContact CE1-SG 3.33Å; F31-C99 HydrophobicContact CZ-CB 3.92Å; A95-C99 WeakPolarHBondContact O-CB 3.17Å; A95-C99 PolarHBondContact O-N 3.09Å; A95-C99 PolarHBondContact O-SG 2.78Å; C99-P101 WeakPolarHBondContact O-CD 3.38Å |
| 100 | I | 38.9 | Very low | 44.9 | Very low | 62 Ų | 62 | 83.2 Ų | 83.2 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | trans | -103.5 | 72.8 | 167.5 | -63.1 | 164.6 | 0 | 0 | 0 | 109.1 | L96 I97 S98 S102 S103 | L96-I100 VanDerWaalsContact O-CD1 3.24Å; L96-I100 WeakPolarHBondContact O-CD1 3.08Å; L96-I100 WeakPolarHBondContact O-CG1 3.24Å; I97-I100 WeakPolarHBondContact O-CB 3.36Å; I97-I100 PolarHBondContact O-N 2.9Å; S98-I100 PolarHBondContact O-N 2.82Å; I100-S102 PolarHBondContact O-N 3.36Å; I100-S103 WeakPolarHBondContact CG2-OG 3.22Å | ||
| 101 | P | 33.2 | Very low | 45.3 | Very low | 106 Ų | 106 | 80.8 Ų | 80.8 | 69% | 0.688 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -72.5 | 104 | 152 | 30 | -24.2 | 0 | 0 | 0 | 105.4 | C99 | C99-P101 WeakPolarHBondContact O-CD 3.38Š|
| 102 | S | 37.5 | Very low | 45.6 | Very low | 73 Ų | 73 | 81.3 Ų | 81.3 | 51% | 0.51 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 81.3 | 82 | -173.5 | 77 | 0 | 0 | 0 | 0 | 116.5 | I100 F104 S105 A106 | I100-S102 PolarHBondContact O-N 3.36Å; S102-F104 PolarHBondContact O-N 2.79Å; S102-S105 PolarHBondContact O-N 2.64Å; S102-S105 WeakPolarHBondContact OG-CB 3.33Å; S102-A106 PolarHBondContact O-N 2.83Å |
| 103 | S | 38.9 | Very low | 46 | Very low | 71 Ų | 71 | 79 Ų | 79 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.5 | -13.7 | 176.2 | -10.5 | 0 | 0 | 0 | 0 | 114.9 | I100 L107 | I100-S103 WeakPolarHBondContact CG2-OG 3.22Å; S103-L107 WeakPolarHBondContact O-CD1 3.34Å |
| 104 | F | 38.9 | Very low | 46.9 | Very low | 191 Ų | 191 | 85.7 Ų | 85.7 | 84% | 0.838 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -80.4 | -29.4 | 169.5 | -101.1 | -94.7 | 0 | 0 | 0 | 113.3 | S102 S108 | S102-F104 PolarHBondContact O-N 2.79Å; F104-S108 WeakPolarHBondContact O-CB 3.17Å; F104-S108 PolarHBondContact O-N 3.01Å; F104-S108 PolarHBondContact O-OG 3.25Å |
| 105 | S | 39.3 | Very low | 47.9 | Very low | 65 Ų | 65 | 90.2 Ų | 90.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -82 | -43.3 | -176 | -167.5 | 0 | 0 | 0 | 0 | 112.6 | S102 S108 F109 | S102-S105 PolarHBondContact O-N 2.64Å; S102-S105 WeakPolarHBondContact OG-CB 3.33Å; S105-S108 WeakPolarHBondContact CA-OG 3.44Å; S105-S108 PolarHBondContact O-N 2.84Å; S105-S108 PolarHBondContact O-OG 3.33Å; S105-F109 WeakPolarHBondContact O-CB 3.37Å; S105-F109 PolarHBondContact O-N 2.9Å |
| 106 | A | 39.6 | Very low | 48.7 | Very low | 43 Ų | 43 | 97.3 Ų | 97.3 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S102 F109 L110 | S102-A106 PolarHBondContact O-N 2.83Å; A106-F109 PolarHBondContact O-N 2.91Å; A106-L110 WeakPolarHBondContact O-CB 3.22Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 3.2Å |
| 107 | L | 45.4 | Very low | 49.7 | Very low | 121 Ų | 121 | 95.5 Ų | 95.5 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.3 | -38.4 | 174.8 | -72.3 | 174.6 | 0 | 0 | 0 | 112.1 | S103 L110 A111 | S103-L107 WeakPolarHBondContact O-CD1 3.34Å; L107-L110 PolarHBondContact O-N 2.84Å; L107-A111 VanDerWaalsContact O-CB 3.25Å; L107-A111 WeakPolarHBondContact O-CB 3.2Å; L107-A111 PolarHBondContact O-N 2.85Å |
| 108 | S | 46.3 | Very low | 51.1 | Low | 58 Ų | 58 | 96.6 Ų | 96.6 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.1 | -34.3 | 175.2 | 62 | 0 | 0 | 0 | 0 | 112.3 | F104 S105 A111 T112 | F104-S108 WeakPolarHBondContact O-CB 3.17Å; F104-S108 PolarHBondContact O-N 3.01Å; F104-S108 PolarHBondContact O-OG 3.25Å; S105-S108 WeakPolarHBondContact CA-OG 3.44Å; S105-S108 PolarHBondContact O-N 2.84Å; S105-S108 PolarHBondContact O-OG 3.33Å; S108-A111 PolarHBondContact O-N 3.47Å; S108-T112 VanDerWaalsContact O-CB 3.28Å; S108-T112 WeakPolarHBondContact O-CB 3.4Å; S108-T112 PolarHBondContact O-N 2.92Å; S108-T112 PolarHBondContact O-OG1 2.71Å |
| 109 | F | 49.6 | Very low | 52.7 | Low | 129 Ų | 129 | 96.9 Ų | 96.9 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -47.7 | 172.2 | -176 | -106.6 | 0 | 0 | 0 | 111.1 | S105 A106 A111 T112 L113 | S105-F109 WeakPolarHBondContact O-CB 3.37Å; S105-F109 PolarHBondContact O-N 2.9Å; A106-F109 PolarHBondContact O-N 2.91Å; F109-A111 VanDerWaalsContact C-N 3.34Å; F109-A111 PolarHBondContact O-N 2.95Å; F109-T112 CarbonylContact O-C 3.22Å; F109-T112 WeakPolarHBondContact O-CB 3.5Å; F109-T112 PolarHBondContact O-N 3.23Å; F109-T112 VanDerWaalsContact O-N 3.11Å; F109-L113 HydrophobicContact CD1-CD1 3.86Å; F109-L113 HydrophobicContact CD1-CG 4.33Å; F109-L113 HydrophobicContact CE1-CD1 3.41Å; F109-L113 VanDerWaalsContact CE1-CD1 3.41Å; F109-L113 HydrophobicContact CE1-CG 4.03Å; F109-L113 HydrophobicContact CZ-CD1 3.91Å; F109-L113 HydrophobicContact CZ-CD2 4.23Å; F109-L113 HydrophobicContact CZ-CG 4.13Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 3.48Å |
| 110 | L | 51.5 | Low | 54.3 | Low | 107 Ų | 107 | 101.3 Ų | 101.3 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 173.5 | -74.5 | 172.2 | 0 | 0 | 0 | 112.1 | A106 L107 T112 L113 R114 | A106-L110 WeakPolarHBondContact O-CB 3.22Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 3.2Å; L107-L110 PolarHBondContact O-N 2.84Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.2Å; L110-L113 PolarHBondContact O-N 2.9Å; L110-R114 WeakPolarHBondContact O-CB 3.5Å; L110-R114 PolarHBondContact O-N 3.23Å |
| 111 | A | 60.6 | Low | 56.1 | Low | 52 Ų | 52 | 104.8 Ų | 104.8 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L107 S108 F109 R114 K115 | L107-A111 VanDerWaalsContact O-CB 3.25Å; L107-A111 WeakPolarHBondContact O-CB 3.2Å; L107-A111 PolarHBondContact O-N 2.85Å; S108-A111 PolarHBondContact O-N 3.47Å; F109-A111 VanDerWaalsContact C-N 3.34Å; F109-A111 PolarHBondContact O-N 2.95Å; A111-R114 PolarHBondContact O-N 3.4Å; A111-K115 WeakPolarHBondContact O-CG 3.31Å; A111-K115 PolarHBondContact O-N 3.03Å |
| 112 | T | 62.8 | Low | 58.3 | Low | 65 Ų | 65 | 107 Ų | 107 | 40% | 0.399 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | S108 F109 L110 R114 K115 R116 | S108-T112 VanDerWaalsContact O-CB 3.28Å; S108-T112 WeakPolarHBondContact O-CB 3.4Å; S108-T112 PolarHBondContact O-N 2.92Å; S108-T112 PolarHBondContact O-OG1 2.71Å; F109-T112 CarbonylContact O-C 3.22Å; F109-T112 WeakPolarHBondContact O-CB 3.5Å; F109-T112 PolarHBondContact O-N 3.23Å; F109-T112 VanDerWaalsContact O-N 3.11Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.2Å; T112-R114 VanDerWaalsContact C-N 3.32Å; T112-R114 PolarHBondContact O-N 2.97Å; T112-K115 PolarHBondContact O-N 3.44Å; T112-R116 PolarHBondContact O-N 3.35Å |
| 113 | L | 60.5 | Low | 60.1 | Low | 77 Ų | 77 | 112.1 Ų | 112.1 | 40% | 0.403 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60 | -42.5 | 173.3 | -72.5 | 179.8 | 0 | 0 | 0 | 111.4 | F109 L110 K115 R116 S117 | F109-L113 HydrophobicContact CD1-CD1 3.86Å; F109-L113 HydrophobicContact CD1-CG 4.33Å; F109-L113 HydrophobicContact CE1-CD1 3.41Å; F109-L113 VanDerWaalsContact CE1-CD1 3.41Å; F109-L113 HydrophobicContact CE1-CG 4.03Å; F109-L113 HydrophobicContact CZ-CD1 3.91Å; F109-L113 HydrophobicContact CZ-CD2 4.23Å; F109-L113 HydrophobicContact CZ-CG 4.13Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 2.9Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 3.33Å; L113-R116 PolarHBondContact O-N 3.16Å; L113-S117 WeakPolarHBondContact O-CB 3.5Å; L113-S117 PolarHBondContact O-N 3.18Å |
| 114 | R | 67.5 | Low | 61.9 | Low | 181 Ų | 181 | 113.3 Ų | 113.3 | 68% | 0.683 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.6 | -37.4 | 176.7 | -163.9 | 172.9 | -173.5 | 165.2 | 0.3 | 112.2 | L110 A111 T112 K118 | L110-R114 WeakPolarHBondContact O-CB 3.5Å; L110-R114 PolarHBondContact O-N 3.23Å; A111-R114 PolarHBondContact O-N 3.4Å; T112-R114 VanDerWaalsContact C-N 3.32Å; T112-R114 PolarHBondContact O-N 2.97Å; R114-K118 WeakPolarHBondContact O-CG 3.31Å; R114-K118 PolarHBondContact O-N 2.77Å |
| 115 | K | 70.9 | Confident | 63.8 | Low | 162 Ų | 162 | 111.4 Ų | 111.4 | 70% | 0.704 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 173 | -78.3 | -176.9 | 180 | -179.8 | 0 | 111.7 | A111 T112 L113 K118 S119 | A111-K115 WeakPolarHBondContact O-CG 3.31Å; A111-K115 PolarHBondContact O-N 3.03Å; T112-K115 PolarHBondContact O-N 3.44Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 3.33Å; K115-K118 PolarHBondContact O-N 2.92Å; K115-S119 PolarHBondContact O-N 2.82Å |
| 116 | R | 66.1 | Low | 65.7 | Low | 168 Ų | 168 | 112.5 Ų | 112.5 | 63% | 0.634 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.6 | -48.3 | 176.6 | -75.9 | -173.5 | 179.4 | -171.8 | 0.9 | 111.8 | T112 L113 K118 S119 E120 | T112-R116 PolarHBondContact O-N 3.35Å; L113-R116 PolarHBondContact O-N 3.16Å; R116-K118 VanDerWaalsContact C-N 3.31Å; R116-K118 PolarHBondContact O-N 3.06Å; R116-S119 WeakPolarHBondContact O-CA 3.39Å; R116-S119 WeakPolarHBondContact O-CB 3.37Å; R116-S119 PolarHBondContact O-N 3.08Å; R116-E120 PolarHBondContact O-N 2.77Å |
| 117 | S | 67.9 | Low | 67.3 | Low | 57 Ų | 57 | 116.3 Ų | 116.3 | 40% | 0.399 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.8 | -40.1 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 112.8 | L113 K121 | L113-S117 WeakPolarHBondContact O-CB 3.5Å; L113-S117 PolarHBondContact O-N 3.18Å; S117-K121 WeakPolarHBondContact O-CG 3.41Å; S117-K121 PolarHBondContact O-N 3.44Å |
| 118 | K | 76 | Confident | 68.7 | Low | 143 Ų | 143 | 118.2 Ų | 118.2 | 62% | 0.622 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.7 | -38.8 | 174.1 | -75.2 | -175.9 | 176.6 | -173.8 | 0 | 112.6 | R114 K115 R116 K122 | R114-K118 WeakPolarHBondContact O-CG 3.31Å; R114-K118 PolarHBondContact O-N 2.77Å; K115-K118 PolarHBondContact O-N 2.92Å; R116-K118 VanDerWaalsContact C-N 3.31Å; R116-K118 PolarHBondContact O-N 3.06Å; K118-K122 WeakPolarHBondContact O-CB 3.43Å; K118-K122 PolarHBondContact O-N 3.38Å |
| 119 | S | 75.2 | Confident | 70 | Confident | 67 Ų | 67 | 121.2 Ų | 121.2 | 47% | 0.469 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -43.1 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | K115 R116 K122 R123 | K115-S119 PolarHBondContact O-N 2.82Å; R116-S119 WeakPolarHBondContact O-CA 3.39Å; R116-S119 WeakPolarHBondContact O-CB 3.37Å; R116-S119 PolarHBondContact O-N 3.08Å; S119-K122 WeakPolarHBondContact O-CB 3.49Å; S119-K122 PolarHBondContact O-N 3.3Å; S119-R123 PolarHBondContact O-N 3.38Å |
| 120 | E | 73.6 | Confident | 71.1 | Confident | 129 Ų | 129 | 119.3 Ų | 119.3 | 60% | 0.603 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.4 | -47.4 | 175.6 | -75.2 | 178.8 | 164.2 | 0 | 0 | 111.6 | R116 K122 R123 E124 | R116-E120 PolarHBondContact O-N 2.77Å; E120-K122 PolarHBondContact O-N 3.38Å; E120-R123 PolarHBondContact O-N 2.89Å; E120-R123 VanDerWaalsContact O-N 3.11Å; E120-E124 WeakPolarHBondContact O-CB 3.39Å; E120-E124 PolarHBondContact O-N 3.47Å |
| 121 | K | 76.8 | Confident | 71.5 | Confident | 135 Ų | 135 | 122 Ų | 122 | 59% | 0.587 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.5 | -34.6 | 173.7 | -75.3 | -176.9 | 178.4 | -176.2 | 0 | 112.7 | S117 K125 | S117-K121 WeakPolarHBondContact O-CG 3.41Å; S117-K121 PolarHBondContact O-N 3.44Å; K121-K125 WeakPolarHBondContact O-CG 3.37Å; K121-K125 PolarHBondContact O-N 2.69Å; K121-K125 VanDerWaalsContact O-N 3.08Å |
| 122 | K | 79.9 | Confident | 71.4 | Confident | 152 Ų | 152 | 125.4 Ų | 125.4 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.2 | -45.3 | 175.5 | -169.5 | 177.4 | -179.8 | -178.1 | 0 | 111.1 | K118 S119 E120 E124 K125 T126 | K118-K122 WeakPolarHBondContact O-CB 3.43Å; K118-K122 PolarHBondContact O-N 3.38Å; S119-K122 WeakPolarHBondContact O-CB 3.49Å; S119-K122 PolarHBondContact O-N 3.3Å; E120-K122 PolarHBondContact O-N 3.38Å; K122-E124 VanDerWaalsContact C-N 3.33Å; K122-E124 PolarHBondContact O-N 2.94Å; K122-K125 PolarHBondContact O-N 3.26Å; K122-T126 PolarHBondContact O-N 2.84Å; K122-T126 PolarHBondContact O-OG1 2.79Å |
| 123 | R | 75.4 | Confident | 71 | Confident | 181 Ų | 181 | 131.7 Ų | 131.7 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.2 | -42.6 | 175 | -79.9 | -178 | 126.3 | -179.3 | -1.4 | 111.8 | S119 E120 T126 M127 | S119-R123 PolarHBondContact O-N 3.38Å; E120-R123 PolarHBondContact O-N 2.89Å; E120-R123 VanDerWaalsContact O-N 3.11Å; R123-T126 PolarHBondContact O-N 2.91Å; R123-M127 WeakPolarHBondContact O-CB 3.36Å; R123-M127 WeakPolarHBondContact O-CG 3.16Å; R123-M127 PolarHBondContact O-N 3.08Å |
| 124 | E | 76.4 | Confident | 71.6 | Confident | 97 Ų | 97 | 134.5 Ų | 134.5 | 45% | 0.453 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.5 | -42.7 | 177.5 | -162.6 | -174.4 | 165.1 | 0 | 0 | 111.3 | E120 K122 M127 R128 | E120-E124 WeakPolarHBondContact O-CB 3.39Å; E120-E124 PolarHBondContact O-N 3.47Å; K122-E124 VanDerWaalsContact C-N 3.33Å; K122-E124 PolarHBondContact O-N 2.94Å; E124-M127 PolarHBondContact O-N 3.03Å; E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 3.38Å; E124-R128 IonicContact OE1-CZ 3.59Å; E124-R128 IonicContact OE1-NE 3.83Å; E124-R128 IonicContact OE1-NH2 3.59Å; E124-R128 PolarHBondContact OE1-NH2 3.13Å |
| 125 | K | 79 | Confident | 71.8 | Confident | 151 Ų | 151 | 132 Ų | 132 | 66% | 0.657 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.7 | -42.8 | 172.1 | -77.2 | -177.2 | 178.9 | -169.9 | 0 | 112.7 | K121 K122 R128 N129 | K121-K125 WeakPolarHBondContact O-CG 3.37Å; K121-K125 PolarHBondContact O-N 2.69Å; K121-K125 VanDerWaalsContact O-N 3.08Å; K122-K125 PolarHBondContact O-N 3.26Å; K125-R128 PolarHBondContact O-N 2.79Å; K125-N129 WeakPolarHBondContact O-CB 3.12Å; K125-N129 PolarHBondContact O-N 3.17Å |
| 126 | T | 78.3 | Confident | 71.8 | Confident | 87 Ų | 87 | 130.3 Ų | 130.3 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.4 | -42.6 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | K122 R123 N129 S130 | K122-T126 PolarHBondContact O-N 2.84Å; K122-T126 PolarHBondContact O-OG1 2.79Å; R123-T126 PolarHBondContact O-N 2.91Å; T126-N129 PolarHBondContact O-N 2.8Å; T126-S130 PolarHBondContact O-N 3.44Å; T126-S130 PolarHBondContact O-OG 2.84Å |
| 127 | M | 73.5 | Confident | 72.2 | Confident | 123 Ų | 123 | 128.1 Ų | 128.1 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.7 | -40.8 | 176.3 | -76.2 | -159.5 | 176.4 | 0 | 0 | 112.5 | R123 E124 N129 S130 M131 | R123-M127 WeakPolarHBondContact O-CB 3.36Å; R123-M127 WeakPolarHBondContact O-CG 3.16Å; R123-M127 PolarHBondContact O-N 3.08Å; E124-M127 PolarHBondContact O-N 3.03Å; M127-N129 VanDerWaalsContact C-N 3.34Å; M127-N129 PolarHBondContact O-N 2.84Å; M127-S130 WeakPolarHBondContact CA-OG 3.49Å; M127-S130 PolarHBondContact O-N 2.74Å; M127-S130 PolarHBondContact O-OG 3.07Å; M127-M131 WeakPolarHBondContact O-CG 3.49Å; M127-M131 PolarHBondContact O-N 2.78Å |
| 128 | R | 76 | Confident | 72.4 | Confident | 162 Ų | 162 | 132.6 Ų | 132.6 | 61% | 0.611 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -62.7 | -40.6 | 173.9 | -72.4 | -177.8 | -166.9 | -152.1 | 5.5 | 111.9 | E124 K125 M131 | E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 3.38Å; E124-R128 IonicContact OE1-CZ 3.59Å; E124-R128 IonicContact OE1-NE 3.83Å; E124-R128 IonicContact OE1-NH2 3.59Å; E124-R128 PolarHBondContact OE1-NH2 3.13Å; K125-R128 PolarHBondContact O-N 2.79Å; R128-M131 PolarHBondContact O-N 2.88Å |
| 129 | N | 72.8 | Confident | 72.2 | Confident | 120 Ų | 120 | 131.9 Ų | 131.9 | 64% | 0.642 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.9 | -28.6 | 178.2 | -76.7 | 8.6 | 0 | 0 | 0 | 113.3 | K125 T126 M127 M131 | K125-N129 WeakPolarHBondContact O-CB 3.12Å; K125-N129 PolarHBondContact O-N 3.17Å; T126-N129 PolarHBondContact O-N 2.8Å; M127-N129 VanDerWaalsContact C-N 3.34Å; M127-N129 PolarHBondContact O-N 2.84Å; N129-M131 VanDerWaalsContact C-N 3.31Å |
| 130 | S | 73.2 | Confident | 72 | Confident | 89 Ų | 89 | 136.5 Ų | 136.5 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.5 | -7.6 | 175.3 | 61.4 | 0 | 0 | 0 | 0 | 114 | T126 M127 | T126-S130 PolarHBondContact O-N 3.44Å; T126-S130 PolarHBondContact O-OG 2.84Å; M127-S130 WeakPolarHBondContact CA-OG 3.49Å; M127-S130 PolarHBondContact O-N 2.74Å; M127-S130 PolarHBondContact O-OG 3.07Å |
| 131 | M | 59.8 | Low | 71.9 | Confident | 163 Ų | 163 | 137.1 Ų | 137.1 | 80% | 0.803 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 1.9 | 175.9 | -76.5 | -172.7 | 163.5 | 0 | 0 | 113.2 | M127 R128 N129 | M127-M131 WeakPolarHBondContact O-CG 3.49Å; M127-M131 PolarHBondContact O-N 2.78Å; R128-M131 PolarHBondContact O-N 2.88Å; N129-M131 VanDerWaalsContact C-N 3.31Å |
| 132 | L | 59.1 | Low | 71.5 | Confident | 124 Ų | 124 | 137.3 Ų | 137.3 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | trans | -92.9 | 131.3 | 170 | -78 | 152.6 | 0 | 0 | 0 | 108.7 | ||||
| 133 | P | 54.3 | Low | 70.7 | Confident | 198 Ų | 198 | 135.9 Ų | 135.9 | 100% | 1.286 | 69% | 0.686 | S | S | * | * | trans | -66 | 0 | -179.9 | 29 | -35.1 | 0 | 0 | 0 | 113.3 |
Retrieved 133 of 133 residues in 18.5 ms
(Link to these results)