| 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 | 47.5 | Very low | 59 | Low | 204 Ų | 204 | 128.5 Ų | 128.5 | 100% | 1.005 | 64% | 0.637 | S | S | * | * | 0 | 112.3 | 0 | -159.8 | 154.8 | 70.7 | 0 | 0 | 106.6 | D5 | M1-D5 HydrophobicContact CG-CB 3.76Š| |||
| 2 | S | 56.4 | Low | 58.2 | Low | 76 Ų | 76 | 130.4 Ų | 130.4 | 53% | 0.531 | 64% | 0.639 | S | S | . | * | trans | -74.7 | 151 | -171.1 | 179.3 | 0 | 0 | 0 | 0 | 110 | K4 D5 | S2-K4 PolarHBondContact O-N 3.49Å; S2-D5 PolarHBondContact N-OD2 3.44Å; S2-D5 WeakPolarHBondContact O-CA 3.49Å; S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.34Å; S2-D5 PolarHBondContact O-N 3.15Å | ||
| 3 | M | 55.4 | Low | 57.5 | Low | 171 Ų | 171 | 127.6 Ų | 127.6 | 84% | 0.842 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -54 | -25.3 | -178.5 | -74.8 | -169.5 | -65.9 | 0 | 0 | 113.8 | D5 L6 A7 | M3-D5 VanDerWaalsContact C-N 3.29Å; M3-D5 PolarHBondContact O-N 2.92Å; M3-L6 PolarHBondContact O-N 3.42Å; M3-A7 PolarHBondContact O-N 3.05Å |
| 4 | K | 61.8 | Low | 56.4 | Low | 166 Ų | 166 | 129.3 Ų | 129.3 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.8 | -30.2 | 173.5 | -67.3 | -174.9 | 177.9 | -179.2 | 0 | 113 | S2 N8 | S2-K4 PolarHBondContact O-N 3.49Å; K4-N8 PolarHBondContact O-N 3.35Å |
| 5 | D | 66.3 | Low | 55.1 | Low | 83 Ų | 83 | 133.8 Ų | 133.8 | 44% | 0.444 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.9 | -36 | 177.6 | -57.3 | -35.7 | 0 | 0 | 0 | 111.1 | M1 S2 M3 N8 Y9 | M1-D5 HydrophobicContact CG-CB 3.76Å; S2-D5 PolarHBondContact N-OD2 3.44Å; S2-D5 WeakPolarHBondContact O-CA 3.49Å; S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.34Å; S2-D5 PolarHBondContact O-N 3.15Å; M3-D5 VanDerWaalsContact C-N 3.29Å; M3-D5 PolarHBondContact O-N 2.92Å; D5-N8 PolarHBondContact O-N 3.05Å; D5-Y9 WeakPolarHBondContact O-CB 3.34Å; D5-Y9 PolarHBondContact O-N 3.43Å |
| 6 | L | 62.7 | Low | 53.9 | Low | 96 Ų | 96 | 138.7 Ų | 138.7 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.1 | -40.1 | 179.3 | -166.9 | 69.8 | 0 | 0 | 0 | 112 | M3 Y9 K10 | M3-L6 PolarHBondContact O-N 3.42Å; L6-Y9 PolarHBondContact O-N 3.26Å; L6-K10 PolarHBondContact O-N 3.5Å |
| 7 | A | 63 | Low | 53 | Low | 59 Ų | 59 | 137.3 Ų | 137.3 | 49% | 0.488 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M3 K10 K11 | M3-A7 PolarHBondContact O-N 3.05Å; A7-K10 PolarHBondContact O-N 3.44Å; A7-K11 PolarHBondContact O-N 3.49Å |
| 8 | N | 57.3 | Low | 51.9 | Low | 114 Ų | 114 | 135 Ų | 135 | 61% | 0.61 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.7 | -34.8 | 174.8 | -97.4 | -20.1 | 0 | 0 | 0 | 112.4 | K4 D5 K11 K12 | K4-N8 PolarHBondContact O-N 3.35Å; D5-N8 PolarHBondContact O-N 3.05Å; N8-K11 PolarHBondContact O-N 2.97Å; N8-K12 WeakPolarHBondContact O-CB 3.48Å; N8-K12 PolarHBondContact O-N 2.92Å |
| 9 | Y | 67.4 | Low | 50.8 | Low | 153 Ų | 153 | 135.5 Ų | 135.5 | 60% | 0.6 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.9 | -44 | 174 | -169.8 | -99.1 | 0 | 0 | 0 | 111.8 | D5 L6 K12 L13 | D5-Y9 WeakPolarHBondContact O-CB 3.34Å; D5-Y9 PolarHBondContact O-N 3.43Å; L6-Y9 PolarHBondContact O-N 3.26Å; Y9-K12 PolarHBondContact O-N 3.31Å; Y9-K12 VanDerWaalsContact O-N 3.15Å; Y9-L13 HydrophobicContact CD1-CD1 3.99Å; Y9-L13 HydrophobicContact CE1-CD1 3.44Å; Y9-L13 VanDerWaalsContact CE1-CD1 3.44Å; Y9-L13 HydrophobicContact CE2-CD1 4.33Å; Y9-L13 PolarHBondContact O-N 3.35Å |
| 10 | K | 57.4 | Low | 49.7 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -59.7 | -45.9 | 174.1 | -77.4 | -171.1 | 175.4 | -171.3 | 0 | 112.1 | L6 A7 K12 L13 Q14 | L6-K10 PolarHBondContact O-N 3.5Å; A7-K10 PolarHBondContact O-N 3.44Å; K10-K12 VanDerWaalsContact C-N 3.27Å; K10-K12 PolarHBondContact O-N 2.9Å; K10-L13 PolarHBondContact O-N 3.05Å; K10-Q14 PolarHBondContact O-N 3.03Å; K10-Q14 VanDerWaalsContact O-N 3.16Å |
| 11 | K | 54.3 | Low | 48.9 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -61.9 | -32.3 | 174.8 | -94.2 | -178.9 | 177 | 173.7 | 0 | 113.3 | A7 N8 R15 | A7-K11 PolarHBondContact O-N 3.49Å; N8-K11 PolarHBondContact O-N 2.97Å; K11-R15 PolarHBondContact O-N 3.21Å |
| 12 | K | 49.4 | Very low | 47.9 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.1 | -33.2 | -179.9 | -152.1 | 174 | -173.1 | 178.8 | 0 | 112.5 | N8 Y9 K10 R16 | N8-K12 WeakPolarHBondContact O-CB 3.48Å; N8-K12 PolarHBondContact O-N 2.92Å; Y9-K12 PolarHBondContact O-N 3.31Å; Y9-K12 VanDerWaalsContact O-N 3.15Å; K10-K12 VanDerWaalsContact C-N 3.27Å; K10-K12 PolarHBondContact O-N 2.9Å; K12-R16 PolarHBondContact O-N 3.35Å |
| 13 | L | 48.3 | Very low | 46.5 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 49% | 0.492 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -65.9 | -43.8 | 170.9 | -110.1 | 87.8 | 0 | 0 | 0 | 111.3 | Y9 K10 R15 R16 C17 | Y9-L13 HydrophobicContact CD1-CD1 3.99Å; Y9-L13 HydrophobicContact CE1-CD1 3.44Å; Y9-L13 VanDerWaalsContact CE1-CD1 3.44Å; Y9-L13 HydrophobicContact CE2-CD1 4.33Å; Y9-L13 PolarHBondContact O-N 3.35Å; K10-L13 PolarHBondContact O-N 3.05Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.48Å; L13-R16 PolarHBondContact O-N 2.99Å; L13-R16 VanDerWaalsContact O-N 3.08Å; L13-C17 PolarHBondContact O-N 3.05Å |
| 14 | Q | 43.1 | Very low | 45.5 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.4 | -31.6 | -176.7 | -148.3 | 161.7 | -5.6 | 0 | 0 | 112.8 | K10 | K10-Q14 PolarHBondContact O-N 3.03Å; K10-Q14 VanDerWaalsContact O-N 3.16Å |
| 15 | R | 36.6 | Very low | 44 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.2 | -19.2 | 173.1 | -74.5 | -174.9 | 177.8 | -170.9 | -0.8 | 114.6 | K11 L13 S18 | K11-R15 PolarHBondContact O-N 3.21Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.48Å; R15-S18 PolarHBondContact O-OG 3.18Å |
| 16 | R | 35.7 | Very low | 42.5 | Very low | 212 Ų | 212 | 134.8 Ų | 134.8 | 80% | 0.8 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -84.3 | -26.5 | 176.7 | -97.4 | -176.3 | 167.4 | -175.7 | -4.7 | 112.7 | K12 L13 S18 | K12-R16 PolarHBondContact O-N 3.35Å; L13-R16 PolarHBondContact O-N 2.99Å; L13-R16 VanDerWaalsContact O-N 3.08Å; R16-S18 VanDerWaalsContact C-N 3.34Å |
| 17 | C | 38.3 | Very low | 41.1 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 78% | 0.777 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -6.6 | 178.6 | -72.9 | 0 | 0 | 0 | 0 | 114.5 | L13 L19 | L13-C17 PolarHBondContact O-N 3.05Å; C17-L19 VanDerWaalsContact C-N 3.29Å; C17-L19 PolarHBondContact O-N 2.92Å |
| 18 | S | 33.4 | Very low | 39.9 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 12.7 | 178.1 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | R15 R16 | R15-S18 PolarHBondContact O-OG 3.18Å; R16-S18 VanDerWaalsContact C-N 3.34Å |
| 19 | L | 31 | Very low | 39.2 | Very low | 144 Ų | 144 | 133 Ų | 133 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -121.5 | 97.3 | -179.3 | -86.2 | 146.4 | 0 | 0 | 0 | 110.9 | C17 | C17-L19 VanDerWaalsContact C-N 3.29Å; C17-L19 PolarHBondContact O-N 2.92Å |
| 20 | G | 28.7 | Very low | 38 | Very low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | trans | 65.8 | 116.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 21 | I | 32 | Very low | 37 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 89% | 0.892 | 67% | 0.667 | S | S | * | * | -149.4 | 110.6 | 72.5 | -75.1 | 146.6 | 0 | 0 | 0 | 107.4 | |||||
| 22 | Y | 26.6 | Very low | 36.3 | Very low | 234 Ų | 234 | 127.6 Ų | 127.6 | 92% | 0.918 | 66% | 0.66 | S | S | * | * | trans | -80.1 | 133.6 | 171.4 | -97.8 | -100 | 0 | 0 | 0 | 109.8 | ||||
| 23 | G | 27.8 | Very low | 35.9 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 82.1 | 101.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 24 | S | 34.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 64% | 0.643 | S | S | * | * | S | Bend | 162.8 | -18.1 | 124.9 | -161.6 | 0 | 0 | 0 | 0 | 113.3 | R26 | S24-R26 PolarHBondContact O-N 3.24Š| |
| 25 | C | 30.7 | Very low | 35.2 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -88 | 6.8 | -173.7 | -73.3 | 0 | 0 | 0 | 0 | 117.4 | ||
| 26 | R | 34 | Very low | 35.6 | Very low | 195 Ų | 195 | 116 Ų | 116 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -76.4 | -30.8 | -171.3 | -90.9 | -175 | 173.7 | -171.8 | -5 | 115.3 | S24 | S24-R26 PolarHBondContact O-N 3.24Š|
| 27 | N | 33.6 | Very low | 35.6 | Very low | 134 Ų | 134 | 114.7 Ų | 114.7 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -92.7 | -2.1 | -178 | -77.6 | 0.1 | 0 | 0 | 0 | 114.4 | ||
| 28 | T | 37.1 | Very low | 35.3 | Very low | 60 Ų | 60 | 113.6 Ų | 113.6 | 37% | 0.368 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -81.4 | -28 | -176.2 | -34.6 | 0 | 0 | 0 | 0 | 112.1 | Q32 | T28-Q32 HydrophobicContact CG2-CG 4.33Å; T28-Q32 WeakPolarHBondContact O-CB 3.34Å; T28-Q32 WeakPolarHBondContact O-CG 3.44Å; T28-Q32 PolarHBondContact O-N 3.48Å |
| 29 | V | 42.8 | Very low | 35.4 | Very low | 37 Ų | 37 | 113 Ų | 113 | 22% | 0.224 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -80.5 | -44.7 | -169.1 | -176.7 | 0 | 0 | 0 | 0 | 113.2 | R31 Q32 F33 | V29-R31 PolarHBondContact O-N 2.95Å; V29-Q32 PolarHBondContact O-N 3.02Å; V29-F33 HydrophobicContact CG1-CD2 4.03Å; V29-F33 HydrophobicContact CG1-CE2 3.83Å; V29-F33 WeakPolarHBondContact O-CD2 3.22Å; V29-F33 PolarHBondContact O-N 3.35Å; V29-F33 VanDerWaalsContact O-N 3.08Å |
| 30 | S | 42.5 | Very low | 35.4 | Very low | 51 Ų | 51 | 111.3 Ų | 111.3 | 36% | 0.357 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.4 | -32.7 | 172.6 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | S34 | S30-S34 PolarHBondContact O-N 3.39Å |
| 31 | R | 35.7 | Very low | 35.6 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.6 | -38.5 | 169.6 | -96.8 | -174.6 | 165.2 | 165.3 | -4.2 | 112.9 | V29 S34 E35 | V29-R31 PolarHBondContact O-N 2.95Å; R31-S34 PolarHBondContact O-N 3.46Å; R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.08Å; R31-E35 PolarHBondContact O-N 3.3Å |
| 32 | Q | 41.1 | Very low | 35.6 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68 | -35.6 | -179.4 | -83.1 | 171.2 | -2.7 | 0 | 0 | 113.4 | T28 V29 S34 Y36 | T28-Q32 HydrophobicContact CG2-CG 4.33Å; T28-Q32 WeakPolarHBondContact O-CB 3.34Å; T28-Q32 WeakPolarHBondContact O-CG 3.44Å; T28-Q32 PolarHBondContact O-N 3.48Å; V29-Q32 PolarHBondContact O-N 3.02Å; Q32-S34 VanDerWaalsContact C-N 3.35Å; Q32-Y36 WeakPolarHBondContact O-CB 3.44Å; Q32-Y36 PolarHBondContact O-N 3.24Å; Q32-Y36 VanDerWaalsContact O-N 3.07Å |
| 33 | F | 40.8 | Very low | 35.6 | Very low | 72 Ų | 72 | 111.6 Ų | 111.6 | 32% | 0.316 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.8 | -39.7 | 172 | -80.6 | -79.3 | 0 | 0 | 0 | 111.5 | V29 F224 A253 | V29-F33 HydrophobicContact CG1-CD2 4.03Å; V29-F33 HydrophobicContact CG1-CE2 3.83Å; V29-F33 WeakPolarHBondContact O-CD2 3.22Å; V29-F33 PolarHBondContact O-N 3.35Å; V29-F33 VanDerWaalsContact O-N 3.08Å; F33-F224 HydrophobicContact CE1-CD2 4.5Å; F33-A253 HydrophobicContact CE2-CB 4.45Å; F33-A253 HydrophobicContact CZ-CB 3.89Å |
| 34 | S | 42.2 | Very low | 35.7 | Very low | 68 Ų | 68 | 114.2 Ų | 114.2 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.2 | -41.7 | 175.8 | -161.2 | 0 | 0 | 0 | 0 | 113.3 | S30 R31 Q32 Y36 K37 | S30-S34 PolarHBondContact O-N 3.39Å; R31-S34 PolarHBondContact O-N 3.46Å; Q32-S34 VanDerWaalsContact C-N 3.35Å; S34-Y36 VanDerWaalsContact C-N 3.26Å; S34-Y36 PolarHBondContact O-N 3.1Å; S34-K37 WeakPolarHBondContact O-CB 3.29Å; S34-K37 PolarHBondContact O-N 3.01Å; S34-K37 VanDerWaalsContact O-N 3.15Å |
| 35 | E | 34.8 | Very low | 35.3 | Very low | 109 Ų | 109 | 114 Ų | 114 | 51% | 0.509 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.9 | -28.6 | 177.4 | -81.2 | 174.5 | -174.8 | 0 | 0 | 112.3 | R31 K37 S38 | R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.08Å; R31-E35 PolarHBondContact O-N 3.3Å; E35-K37 PolarHBondContact O-N 2.93Å; E35-K37 VanDerWaalsContact O-N 3.13Å; E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 2.96Å; E35-S38 PolarHBondContact O-OG 3.4Å |
| 36 | Y | 43.8 | Very low | 35.5 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 40% | 0.396 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -22.8 | 175.5 | -169.5 | -94.4 | 0 | 0 | 0 | 112.6 | Q32 S34 S38 A227 R250 | Q32-Y36 WeakPolarHBondContact O-CB 3.44Å; Q32-Y36 PolarHBondContact O-N 3.24Å; Q32-Y36 VanDerWaalsContact O-N 3.07Å; S34-Y36 VanDerWaalsContact C-N 3.26Å; S34-Y36 PolarHBondContact O-N 3.1Å; Y36-S38 VanDerWaalsContact C-N 3.33Å; Y36-A227 HydrophobicContact CE1-CB 3.97Å; Y36-R250 PolarHBondContact OH-NH2 2.86Å |
| 37 | K | 36.6 | Very low | 35.3 | Very low | 184 Ų | 184 | 110.2 Ų | 110.2 | 80% | 0.8 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -13.2 | 173.5 | -148.8 | 169.3 | -170.2 | 167.4 | 0 | 113.7 | S34 E35 | S34-K37 WeakPolarHBondContact O-CB 3.29Å; S34-K37 PolarHBondContact O-N 3.01Å; S34-K37 VanDerWaalsContact O-N 3.15Å; E35-K37 PolarHBondContact O-N 2.93Å; E35-K37 VanDerWaalsContact O-N 3.13Å |
| 38 | S | 31.2 | Very low | 35.3 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -10.1 | -172.3 | 71.2 | 0 | 0 | 0 | 0 | 115.1 | E35 Y36 S40 | E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 2.96Å; E35-S38 PolarHBondContact O-OG 3.4Å; Y36-S38 VanDerWaalsContact C-N 3.33Å; S38-S40 PolarHBondContact O-N 3.43Å |
| 39 | S | 36.6 | Very low | 35.1 | Very low | 84 Ų | 84 | 115 Ų | 115 | 59% | 0.587 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -80.7 | 84.6 | 175 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 40 | S | 30.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | trans | 33.7 | 98.1 | 150.2 | 64.3 | 0 | 0 | 0 | 0 | 119.5 | S38 | S38-S40 PolarHBondContact O-N 3.43Š| ||
| 41 | L | 33.2 | Very low | 34.2 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 90% | 0.901 | 69% | 0.686 | S | S | * | * | trans | -143.2 | 149.6 | 140.9 | -89.1 | 170.3 | 0 | 0 | 0 | 108.3 | ||||
| 42 | P | 31.2 | Very low | 33.9 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | trans | -73.9 | 153 | -162.3 | 30.6 | -34.4 | 0 | 0 | 0 | 112.9 | V44 | P42-V44 VanDerWaalsContact C-N 3.32Å; P42-V44 PolarHBondContact O-N 3.38Å | ||
| 43 | E | 25.9 | Very low | 33.6 | Very low | 200 Ų | 200 | 122.1 Ų | 122.1 | 94% | 0.935 | 69% | 0.694 | S | S | * | * | trans | -54.7 | 80.5 | -177.8 | -160.8 | 169 | -159.7 | 0 | 0 | 112.4 | T45 | E43-T45 PolarHBondContact O-N 2.96Š| ||
| 44 | V | 30.5 | Very low | 33.4 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | -80.9 | 110.1 | 164.2 | 179.9 | 0 | 0 | 0 | 0 | 106.7 | P42 A46 | P42-V44 VanDerWaalsContact C-N 3.32Å; P42-V44 PolarHBondContact O-N 3.38Å; V44-A46 PolarHBondContact O-N 3.42Å | ||
| 45 | T | 27.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -17.7 | 119.8 | 171.6 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | E43 V47 | E43-T45 PolarHBondContact O-N 2.96Å; T45-V47 VanDerWaalsContact C-N 3.29Å; T45-V47 PolarHBondContact O-N 3Å | ||
| 46 | A | 33.8 | Very low | 33.9 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -56 | 83.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V44 | V44-A46 PolarHBondContact O-N 3.42Š|
| 47 | V | 30.5 | Very low | 34 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | trans | -140.1 | 120.2 | 168.4 | -174.1 | 0 | 0 | 0 | 0 | 106.1 | T45 | T45-V47 VanDerWaalsContact C-N 3.29Å; T45-V47 PolarHBondContact O-N 3Å | ||
| 48 | E | 32.2 | Very low | 34.8 | Very low | 175 Ų | 175 | 126.4 Ų | 126.4 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 93.6 | 10.5 | 160.7 | -76.2 | 171.4 | 173.9 | 0 | 0 | 123.9 | ||
| 49 | S | 32.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | trans | -106.6 | 32.5 | 166.2 | 67.3 | 0 | 0 | 0 | 0 | 115.1 | K51 | S49-K51 PolarHBondContact O-N 3.02Š| ||
| 50 | V | 34.8 | Very low | 35.6 | Very low | 127 Ų | 127 | 125 Ų | 125 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | -91.7 | 68 | 150.7 | -172.1 | 0 | 0 | 0 | 0 | 106.7 | N52 | V50-N52 PolarHBondContact O-N 2.88Š| ||
| 51 | K | 31.6 | Very low | 36.2 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | trans | -69.8 | 81.4 | 161 | -81.9 | -177 | -178.8 | 170.8 | 0 | 106.4 | S49 | S49-K51 PolarHBondContact O-N 3.02Š| ||
| 52 | N | 30.9 | Very low | 36.4 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | trans | 32.4 | 99.6 | 162.5 | -58.1 | -25.9 | 0 | 0 | 0 | 113.3 | V50 R54 | V50-N52 PolarHBondContact O-N 2.88Å; N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 VanDerWaalsContact O-CG 3.3Å; N52-R54 WeakPolarHBondContact O-CG 3.44Å; N52-R54 PolarHBondContact O-N 3.33Å | ||
| 53 | A | 34 | Very low | 36.8 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | trans | -41 | 107 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107 | L55 | A53-L55 PolarHBondContact O-N 3.26Š| ||
| 54 | R | 37.5 | Very low | 37.9 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | trans | -75.1 | 81.4 | -167.7 | -67 | -176.5 | -172.7 | 176.5 | 2.9 | 107.2 | N52 S56 | N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 VanDerWaalsContact O-CG 3.3Å; N52-R54 WeakPolarHBondContact O-CG 3.44Å; N52-R54 PolarHBondContact O-N 3.33Å; R54-S56 PolarHBondContact O-N 3.11Å | ||
| 55 | L | 44.5 | Very low | 38.5 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | trans | -49.9 | 134.7 | 169.9 | -70.6 | 164.6 | 0 | 0 | 0 | 108.3 | A53 | A53-L55 PolarHBondContact O-N 3.26Š| ||
| 56 | S | 43.3 | Very low | 39.3 | Very low | 58 Ų | 58 | 121.4 Ų | 121.4 | 41% | 0.406 | 64% | 0.644 | S | S | . | * | trans | -20.1 | 124 | -174.7 | -163.7 | 0 | 0 | 0 | 0 | 114.8 | R54 R58 D167 | R54-S56 PolarHBondContact O-N 3.11Å; S56-R58 PolarHBondContact O-N 3.19Å; S56-D167 PolarHBondContact OG-OD1 2.92Å | ||
| 57 | R | 44.9 | Very low | 40.1 | Very low | 183 Ų | 183 | 120.1 Ų | 120.1 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | trans | -66.5 | 22.3 | 179.4 | -77.9 | 177.4 | 144.7 | 160.5 | -7.1 | 114.7 | P59 | R57-P59 WeakPolarHBondContact O-CD 3.44Š| ||
| 58 | R | 53 | Low | 40.9 | Very low | 43 Ų | 43 | 126 Ų | 126 | 16% | 0.162 | 64% | 0.639 | C | S | . | * | trans | -82 | 122.3 | -179 | -64.8 | -168.5 | -153.8 | 157.9 | 19.9 | 110.6 | S56 S60 D167 N168 F291 | S56-R58 PolarHBondContact O-N 3.19Å; R58-S60 PolarHBondContact O-N 3.11Å; R58-D167 IonicContact CZ-OD1 2.75Å; R58-D167 IonicContact NH2-OD1 3.15Å; R58-D167 PolarHBondContact NH2-OD1 3.09Å; R58-D167 IonicContact NH2-OD2 2.77Å; R58-N168 PolarHBondContact NH1-O 3.44Å; R58-F291 VanDerWaalsContact NH1-CE1 3.3Å | ||
| 59 | P | 40.6 | Very low | 41.9 | Very low | 76 Ų | 76 | 122.5 Ų | 122.5 | 49% | 0.494 | 63% | 0.625 | S | S | . | * | trans | -67.1 | 110.7 | 160.3 | 3.1 | 10.9 | 0 | 0 | 0 | 107.7 | R57 Y61 | R57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-Y61 HydrophobicContact CB-CE2 4.25Å; P59-Y61 HydrophobicContact CG-CE2 4.38Å; P59-Y61 VanDerWaalsContact O-CD2 3.27Å; P59-Y61 WeakPolarHBondContact O-CD2 3.44Å; P59-Y61 WeakPolarHBondContact O-CE2 3.3Å; P59-Y61 PolarHBondContact O-N 2.95Å | ||
| 60 | S | 44.3 | Very low | 43 | Very low | 71 Ų | 71 | 128 Ų | 128 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | trans | -67.9 | 116.1 | 175.2 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | R58 F62 E184 | R58-S60 PolarHBondContact O-N 3.11Å; S60-F62 VanDerWaalsContact CB-CE2 3.49Å; S60-F62 PolarHBondContact O-N 3.18Å; S60-E184 VanDerWaalsContact CA-OE2 3.25Å; S60-E184 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 61 | Y | 43.5 | Very low | 44.7 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 60% | 0.604 | 60% | 0.6 | S | S | * | * | trans | -92.9 | 87.5 | 172.9 | -64.2 | -82.8 | 0 | 0 | 0 | 108.1 | P59 L63 E184 | P59-Y61 HydrophobicContact CB-CE2 4.25Å; P59-Y61 HydrophobicContact CG-CE2 4.38Å; P59-Y61 VanDerWaalsContact O-CD2 3.27Å; P59-Y61 WeakPolarHBondContact O-CD2 3.44Å; P59-Y61 WeakPolarHBondContact O-CE2 3.3Å; P59-Y61 PolarHBondContact O-N 2.95Å; Y61-L63 PolarHBondContact O-N 3.12Å; Y61-E184 PolarHBondContact N-OE2 3.36Å | ||
| 62 | F | 37.2 | Very low | 47.1 | Very low | 174 Ų | 174 | 116.8 Ų | 116.8 | 76% | 0.763 | 57% | 0.571 | S | S | * | * | trans | -70.7 | 119.8 | 175 | -71.4 | -80.1 | 0 | 0 | 0 | 110.6 | S60 | S60-F62 VanDerWaalsContact CB-CE2 3.49Å; S60-F62 PolarHBondContact O-N 3.18Å | ||
| 63 | L | 40.1 | Very low | 49.8 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 45% | 0.45 | 56% | 0.556 | S | S | . | * | trans | -74.3 | 131.2 | 161 | -71.8 | 173.7 | 0 | 0 | 0 | 109 | Y61 E65 V66 | Y61-L63 PolarHBondContact O-N 3.12Å; L63-E65 VanDerWaalsContact C-N 3.25Å; L63-E65 PolarHBondContact O-N 3.36Å; L63-V66 HydrophobicContact CB-CG2 4.06Å; L63-V66 HydrophobicContact CD1-CG2 4.01Å | ||
| 64 | P | 47.8 | Very low | 52.6 | Low | 119 Ų | 119 | 110.1 Ų | 110.1 | 77% | 0.773 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -57 | -35.7 | -177.8 | -25.6 | 32.9 | 0 | 0 | 0 | 114.1 | S67 | P64-S67 PolarHBondContact O-OG 2.95Å; P64-S67 VanDerWaalsContact O-OG 3.1Å |
| 65 | E | 44.3 | Very low | 55.3 | Low | 179 Ų | 179 | 104.9 Ų | 104.9 | 84% | 0.836 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -97.1 | -21.1 | -162.7 | -137.6 | 143.9 | -151.9 | 0 | 0 | 114.3 | L63 S67 | L63-E65 VanDerWaalsContact C-N 3.25Å; L63-E65 PolarHBondContact O-N 3.36Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.42Å |
| 66 | V | 43.9 | Very low | 57.8 | Low | 35 Ų | 35 | 97.2 Ų | 97.2 | 21% | 0.212 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -92.5 | 8.5 | -178 | -155.1 | 0 | 0 | 0 | 0 | 112.4 | L63 R68 K71 I172 L185 | L63-V66 HydrophobicContact CB-CG2 4.06Å; L63-V66 HydrophobicContact CD1-CG2 4.01Å; V66-R68 PolarHBondContact O-N 3.01Å; V66-K71 WeakPolarHBondContact O-CE 3.28Å; V66-K71 PolarHBondContact O-NZ 3.33Å; V66-I172 HydrophobicContact CG1-CD1 3.87Å; V66-L185 HydrophobicContact CG1-CD2 4.1Å |
| 67 | S | 50.8 | Low | 60.2 | Low | 82 Ų | 82 | 96.1 Ų | 96.1 | 57% | 0.573 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -74.3 | -20.5 | -174.9 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | P64 E65 | P64-S67 PolarHBondContact O-OG 2.95Å; P64-S67 VanDerWaalsContact O-OG 3.1Å; E65-S67 VanDerWaalsContact C-N 3.34Å; E65-S67 PolarHBondContact O-N 3.42Å |
| 68 | R | 47.6 | Very low | 62.5 | Low | 233 Ų | 233 | 87.5 Ų | 87.5 | 88% | 0.879 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -91.2 | -10.7 | -170.3 | -56.8 | -171.7 | -145.4 | -160.6 | 6.4 | 115.9 | V66 | V66-R68 PolarHBondContact O-N 3.01Š|
| 69 | I | 53 | Low | 64.3 | Low | 102 Ų | 102 | 86.6 Ų | 86.6 | 52% | 0.523 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -86.2 | 129.1 | -179.2 | -59.1 | 169.1 | 0 | 0 | 0 | 107.6 | K71 I172 | I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 WeakPolarHBondContact O-CG 3.31Å; I69-K71 PolarHBondContact O-N 2.91Å; I69-I172 HydrophobicContact CD1-CD1 4.5Å |
| 70 | R | 56.2 | Low | 66.8 | Low | 234 Ų | 234 | 83 Ų | 83 | 88% | 0.883 | 40% | 0.396 | S | S | * | . | trans | -62.4 | 98.1 | 166.9 | -175.5 | -179.3 | -178.5 | -177 | -1.2 | 106.6 | ||||
| 71 | K | 68.8 | Low | 69 | Low | 47 Ų | 47 | 81.4 Ų | 81.4 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | trans | -81.3 | 130.3 | -178.5 | -59.9 | -179.4 | -169.6 | 177.7 | 0 | 108.4 | V66 I69 I172 L185 | V66-K71 WeakPolarHBondContact O-CE 3.28Å; V66-K71 PolarHBondContact O-NZ 3.33Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 WeakPolarHBondContact O-CG 3.31Å; I69-K71 PolarHBondContact O-N 2.91Å; K71-I172 HydrophobicContact CD-CD1 4.11Å; K71-I172 HydrophobicContact CD-CG1 4.32Å; K71-I172 HydrophobicContact CG-CD1 4.04Å; K71-I172 HydrophobicContact CG-CG1 4.05Å; K71-L185 HydrophobicContact CD-CD1 3.88Å | ||
| 72 | P | 82.1 | Confident | 71.3 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 21% | 0.208 | 36% | 0.364 | C | S | . | . | trans | -59.5 | 143.5 | 166.5 | 30 | -37 | 0 | 0 | 0 | 109 | D136 Y171 | P72-D136 HydrophobicContact CB-CB 4.12Å; P72-D136 VanDerWaalsContact CB-OD1 3.26Å; P72-D136 WeakPolarHBondContact CB-OD1 3.44Å; P72-Y171 HydrophobicContact CB-CD1 4.1Å; P72-Y171 HydrophobicContact CB-CE1 3.44Å; P72-Y171 VanDerWaalsContact CB-CE1 3.44Å; P72-Y171 HydrophobicContact CB-CE2 4.24Å; P72-Y171 VanDerWaalsContact CD-O 3.22Å; P72-Y171 WeakPolarHBondContact CD-O 3.25Å; P72-Y171 HydrophobicContact CG-CD1 3.91Å; P72-Y171 HydrophobicContact CG-CD2 3.99Å; P72-Y171 HydrophobicContact CG-CE1 3.6Å; P72-Y171 HydrophobicContact CG-CE2 3.63Å; P72-Y171 HydrophobicContact CG-CG 4.12Å; P72-Y171 VanDerWaalsContact CG-CZ 3.43Å; P72-Y171 VanDerWaalsContact CG-O 3.32Å; P72-Y171 WeakPolarHBondContact CG-O 3.5Å; P72-Y171 WeakPolarHBondContact O-CD1 3.48Å; P72-Y171 PolarHBondContact O-N 2.88Å; P72-Y171 VanDerWaalsContact O-N 3.12Å | ||
| 73 | N | 88.3 | Confident | 74 | Confident | 65 Ų | 65 | 68 Ų | 68 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147.4 | -171.4 | -70.8 | -45.9 | 0 | 0 | 0 | 110.9 | D136 | N73-D136 PolarHBondContact O-N 3.38Å |
| 74 | I | 93.3 | Very high | 76.5 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.7 | 173.1 | -50.2 | 158.6 | 0 | 0 | 0 | 106.8 | V133 F134 W135 N168 L169 Y171 L186 M208 | I74-V133 HydrophobicContact CG2-CG1 3.47Å; I74-V133 VanDerWaalsContact CG2-CG1 3.47Å; I74-F134 CarbonylContact C-O 3.49Å; I74-F134 WeakPolarHBondContact CA-O 3.48Å; I74-W135 HydrophobicContact CD1-CD2 4.26Å; I74-W135 HydrophobicContact CD1-CE3 3.84Å; I74-W135 HydrophobicContact CD1-CH2 3.36Å; I74-W135 HydrophobicContact CD1-CZ2 3.8Å; I74-W135 HydrophobicContact CD1-CZ3 3.38Å; I74-W135 HydrophobicContact CG1-CD2 3.88Å; I74-W135 HydrophobicContact CG1-CE3 3.67Å; I74-W135 HydrophobicContact CG1-CH2 4.08Å; I74-W135 HydrophobicContact CG1-CZ2 4.25Å; I74-W135 HydrophobicContact CG1-CZ3 3.78Å; I74-W135 HydrophobicContact CG2-CD2 4.26Å; I74-W135 HydrophobicContact CG2-CG 4.48Å; I74-W135 HydrophobicContact CG2-CZ2 4.3Å; I74-N168 CarbonylContact O-C 3.5Å; I74-N168 VanDerWaalsContact O-CA 3.24Å; I74-N168 WeakPolarHBondContact O-CA 3.38Å; I74-L169 HydrophobicContact CB-CB 4.25Å; I74-L169 HydrophobicContact CD1-CB 4.21Å; I74-L169 HydrophobicContact CD1-CD2 3.83Å; I74-L169 HydrophobicContact CD1-CG 4.11Å; I74-L169 PolarHBondContact N-O 3.33Å; I74-L169 PolarHBondContact O-N 2.79Å; I74-Y171 HydrophobicContact CD1-CD1 3.93Å; I74-Y171 HydrophobicContact CD1-CG 4.39Å; I74-Y171 HydrophobicContact CG1-CD1 3.65Å; I74-Y171 HydrophobicContact CG1-CE1 4.13Å; I74-L186 HydrophobicContact CD1-CD2 4.06Å; I74-M208 HydrophobicContact CB-CE 4.36Å; I74-M208 HydrophobicContact CB-SD 4.21Å; I74-M208 HydrophobicContact CG2-CE 3.95Å; I74-M208 HydrophobicContact CG2-SD 3.52Å; I74-M208 VanDerWaalsContact CG2-SD 3.52Å |
| 75 | W | 94.3 | Very high | 78.5 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.3 | -178.9 | -70.4 | 79.7 | 0 | 0 | 0 | 110 | Y77 V133 F134 R142 V166 N168 | W75-Y77 HydrophobicContact CB-CD2 4.41Å; W75-Y77 HydrophobicContact CB-CE2 3.67Å; W75-V133 CarbonylContact O-C 3.56Å; W75-V133 WeakPolarHBondContact O-CA 3.41Å; W75-F134 HydrophobicContact CB-CB 4.47Å; W75-F134 PolarHBondContact N-O 2.87Å; W75-F134 PolarHBondContact O-N 3.01Å; W75-R142 VanDerWaalsContact CD2-NH1 3.32Å; W75-R142 VanDerWaalsContact CE2-NH1 3.27Å; W75-V166 HydrophobicContact CE3-CG1 3.73Å; W75-V166 HydrophobicContact CZ3-CG1 3.93Å; W75-N168 HydrophobicContact CD2-CB 4.18Å; W75-N168 HydrophobicContact CE3-CB 4.12Å; W75-N168 HydrophobicContact CH2-CB 4.45Å; W75-N168 HydrophobicContact CZ2-CB 4.5Å; W75-N168 HydrophobicContact CZ3-CB 4.25Å |
| 76 | A | 95.5 | Very high | 80.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V132 V133 D167 M208 V212 | A76-V132 WeakPolarHBondContact CA-O 3.45Å; A76-V133 HydrophobicContact CB-CG2 3.94Å; A76-D167 PolarHBondContact N-O 2.7Å; A76-D167 PolarHBondContact O-N 3.41Å; A76-M208 HydrophobicContact CB-CB 3.89Å; A76-M208 HydrophobicContact CB-CE 3.81Å; A76-V212 HydrophobicContact CB-CG1 3.59Å; A76-V212 HydrophobicContact CB-CG2 4.37Å |
| 77 | Y | 94.3 | Very high | 82.8 | Confident | 36 Ų | 36 | 68 Ų | 68 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155.4 | 176 | -63.5 | -94.3 | 0 | 0 | 0 | 109.2 | W75 A131 V132 F134 L146 V166 | W75-Y77 HydrophobicContact CB-CD2 4.41Å; W75-Y77 HydrophobicContact CB-CE2 3.67Å; Y77-A131 CarbonylContact O-C 3.46Å; Y77-A131 VanDerWaalsContact O-CA 3.29Å; Y77-A131 WeakPolarHBondContact O-CA 3.45Å; Y77-V132 PolarHBondContact N-O 2.91Å; Y77-V132 PolarHBondContact O-N 2.96Å; Y77-F134 AromaticContact CD2-CD2 3.57Å; Y77-F134 HydrophobicContact CD2-CD2 3.57Å; Y77-F134 AromaticContact CD2-CE2 3.46Å; Y77-F134 HydrophobicContact CD2-CE2 3.46Å; Y77-F134 VanDerWaalsContact CD2-CE2 3.46Å; Y77-F134 AromaticContact CE2-CD2 3.82Å; Y77-F134 HydrophobicContact CE2-CD2 3.82Å; Y77-F134 AromaticContact CE2-CE2 3.97Å; Y77-F134 HydrophobicContact CE2-CE2 3.97Å; Y77-F134 HydrophobicContact CG-CE2 4.36Å; Y77-L146 HydrophobicContact CD1-CD1 4.29Å; Y77-L146 HydrophobicContact CG-CD1 4.24Å; Y77-V166 HydrophobicContact CD1-CB 4.45Å; Y77-V166 HydrophobicContact CD1-CG1 4.13Å; Y77-V166 HydrophobicContact CD1-CG2 3.57Å; Y77-V166 HydrophobicContact CE1-CB 4.33Å; Y77-V166 HydrophobicContact CE1-CG1 3.72Å; Y77-V166 HydrophobicContact CE1-CG2 3.57Å |
| 78 | T | 92.7 | Very high | 84.7 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 131.9 | 168.3 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | G130 Y157 A165 V212 V216 | T78-G130 WeakPolarHBondContact CA-O 3.41Å; T78-G130 PolarHBondContact OG1-O 3.23Å; T78-G130 VanDerWaalsContact OG1-O 3.08Å; T78-Y157 HydrophobicContact CG2-CE2 4.47Å; T78-A165 HydrophobicContact CG2-CB 3.84Å; T78-V212 HydrophobicContact CG2-CB 4.01Å; T78-V212 HydrophobicContact CG2-CG2 4.13Å; T78-V216 HydrophobicContact CG2-CG2 3.3Å |
| 79 | T | 92.1 | Very high | 86.5 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | trans | -117.2 | -27.9 | -174.6 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | F83 G130 L146 E153 Y157 | T79-F83 WeakPolarHBondContact OG1-CZ 3.37Å; T79-G130 PolarHBondContact N-O 3.42Å; T79-G130 VanDerWaalsContact N-O 3.09Å; T79-L146 HydrophobicContact CG2-CD2 3.88Å; T79-E153 WeakPolarHBondContact CB-OE1 3.37Å; T79-E153 PolarHBondContact OG1-OE1 3.36Å; T79-Y157 WeakPolarHBondContact O-CD2 3.33Å; T79-Y157 PolarHBondContact O-N 3.09Å | ||
| 80 | A | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 175 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | G130 E153 Y157 | A80-G130 WeakPolarHBondContact O-CA 3.41Å; A80-E153 HydrophobicContact CB-CB 3.72Å; A80-E153 HydrophobicContact CB-CG 3.75Å; A80-Y157 VanDerWaalsContact C-CZ 3.41Å; A80-Y157 WeakPolarHBondContact O-CE2 3.32Å; A80-Y157 VanDerWaalsContact O-CZ 3.3Å; A80-Y157 PolarHBondContact O-OH 2.98Å |
| 81 | E | 90.7 | Very high | 89.4 | Confident | 39 Ų | 39 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -36 | 173.2 | -65.7 | -166.3 | 158.3 | 0 | 0 | 112.6 | E129 E154 S155 Y157 R260 | E81-E129 CarbonylContact O-C 3.04Å; E81-E154 PolarHBondContact N-O 3.08Å; E81-S155 PolarHBondContact N-O 3.38Å; E81-S155 VanDerWaalsContact N-O 3.17Å; E81-Y157 VanDerWaalsContact CA-OH 3.25Å; E81-Y157 WeakPolarHBondContact CA-OH 3.41Å; E81-Y157 HydrophobicContact CG-CE1 3.51Å; E81-Y157 WeakPolarHBondContact CG-OH 3.26Å; E81-Y157 PolarHBondContact N-OH 2.58Å; E81-R260 WeakPolarHBondContact OE1-CD 3.27Å; E81-R260 IonicContact OE1-CZ 3.16Å; E81-R260 IonicContact OE1-NE 3.15Å; E81-R260 PolarHBondContact OE1-NE 2.97Å; E81-R260 IonicContact OE1-NH1 2.96Å; E81-R260 PolarHBondContact OE1-NH1 3.38Å; E81-R260 IonicContact OE1-NH2 2.77Å; E81-R260 PolarHBondContact OE1-NH2 3.41Å; E81-R260 IonicContact OE2-CZ 3.53Å; E81-R260 IonicContact OE2-NE 2.97Å; E81-R260 PolarHBondContact OE2-NE 3.22Å; E81-R260 VanDerWaalsContact OE2-NE 3.15Å; E81-R260 IonicContact OE2-NH2 2.68Å; E81-R260 PolarHBondContact OE2-NH2 3.47Å |
| 82 | S | 91.7 | Very high | 90 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 158.2 | 174.2 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | A128 E154 | S82-A128 CarbonylContact C-O 3.42Å; S82-A128 WeakPolarHBondContact CA-O 3.35Å; S82-A128 VanDerWaalsContact CB-O 3.23Å; S82-A128 WeakPolarHBondContact CB-O 3.3Å; S82-E154 PolarHBondContact N-O 3.44Å; S82-E154 PolarHBondContact O-N 3.03Å; S82-E154 WeakPolarHBondContact OG-CB 3.43Å; S82-E154 PolarHBondContact OG-OE2 3.06Å |
| 83 | F | 93.3 | Very high | 89.6 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 140.9 | 165.7 | -70.7 | -56.7 | 0 | 0 | 0 | 110.3 | T79 M85 V126 F127 A128 G130 V132 L149 E153 | T79-F83 WeakPolarHBondContact OG1-CZ 3.37Å; F83-M85 VanDerWaalsContact C-N 3.3Å; F83-M85 HydrophobicContact CB-CE 4.36Å; F83-M85 PolarHBondContact O-N 3.49Å; F83-V126 HydrophobicContact CD2-CG1 3.66Å; F83-V126 HydrophobicContact CE2-CG1 3.92Å; F83-V126 HydrophobicContact CG-CG1 4.48Å; F83-F127 WeakPolarHBondContact CD2-O 3.37Å; F83-A128 PolarHBondContact N-O 3.37Å; F83-G130 VanDerWaalsContact CE2-C 3.44Å; F83-V132 HydrophobicContact CE2-CG2 3.73Å; F83-V132 HydrophobicContact CZ-CG2 3.97Å; F83-L149 HydrophobicContact CE1-CB 4.17Å; F83-L149 HydrophobicContact CZ-CB 4.41Å; F83-L149 HydrophobicContact CZ-CD1 4.37Å; F83-E153 HydrophobicContact CD1-CG 4.01Å; F83-E153 HydrophobicContact CE1-CG 3.5Å |
| 84 | N | 93 | Very high | 88.9 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | trans | -74.3 | 86.3 | 170.3 | -164.9 | -56.3 | 0 | 0 | 0 | 110.5 | K86 R87 L88 F152 E154 | N84-K86 VanDerWaalsContact C-N 3.25Å; N84-K86 PolarHBondContact O-N 3.44Å; N84-R87 HydrophobicContact CB-CB 4.19Å; N84-R87 PolarHBondContact O-N 3.35Å; N84-R87 WeakPolarHBondContact OD1-CB 3.47Å; N84-R87 PolarHBondContact OD1-N 2.92Å; N84-L88 WeakPolarHBondContact O-CB 3.47Å; N84-L88 PolarHBondContact O-N 3.38Å; N84-F152 PolarHBondContact N-O 2.8Å; N84-E154 HydrophobicContact CB-CG 4.32Å; N84-E154 WeakPolarHBondContact CB-OE1 3.47Å; N84-E154 PolarHBondContact ND2-OE1 2.97Å | ||
| 85 | M | 89 | Confident | 87.8 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -31.7 | -172.8 | -154.6 | 57.3 | 67.9 | 0 | 0 | 113.3 | F83 L88 A89 L111 V126 A128 | F83-M85 VanDerWaalsContact C-N 3.3Å; F83-M85 HydrophobicContact CB-CE 4.36Å; F83-M85 PolarHBondContact O-N 3.49Å; M85-L88 PolarHBondContact O-N 3.46Å; M85-L88 HydrophobicContact SD-CD2 4Å; M85-A89 VanDerWaalsContact O-CB 3.26Å; M85-A89 WeakPolarHBondContact O-CB 3.49Å; M85-A89 PolarHBondContact O-N 3.45Å; M85-L111 HydrophobicContact CG-CD1 4.34Å; M85-L111 HydrophobicContact CG-CG 4.39Å; M85-L111 HydrophobicContact SD-CD1 3.33Å; M85-L111 WeakPolarHBondContact SD-CD1 3.46Å; M85-L111 HydrophobicContact SD-CG 3.52Å; M85-L111 VanDerWaalsContact SD-CG 3.52Å; M85-V126 HydrophobicContact CE-CG1 4.49Å; M85-A128 HydrophobicContact CE-CB 3.71Å; M85-A128 VanDerWaalsContact CE-N 3.27Å |
| 86 | K | 89.5 | Confident | 87 | Confident | 190 Ų | 190 | 52.9 Ų | 52.9 | 83% | 0.826 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.2 | -45.4 | 177.2 | -66.6 | 179.7 | -179.5 | 177.8 | 0 | 111.7 | N84 G90 | N84-K86 VanDerWaalsContact C-N 3.25Å; N84-K86 PolarHBondContact O-N 3.44Å; K86-G90 PolarHBondContact O-N 3.24Å |
| 87 | R | 89.7 | Confident | 86.3 | Confident | 154 Ų | 154 | 53.9 Ų | 53.9 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70 | -39.4 | 178.3 | -166.6 | -171.5 | 178.8 | -173.1 | -0.7 | 111.1 | N84 G90 C91 P151 F152 | N84-R87 HydrophobicContact CB-CB 4.19Å; N84-R87 PolarHBondContact O-N 3.35Å; N84-R87 WeakPolarHBondContact OD1-CB 3.47Å; N84-R87 PolarHBondContact OD1-N 2.92Å; R87-G90 PolarHBondContact O-N 3.37Å; R87-C91 PolarHBondContact O-N 2.97Å; R87-C91 VanDerWaalsContact O-N 3.1Å; R87-P151 PolarHBondContact NH1-O 3.25Å; R87-P151 VanDerWaalsContact NH1-O 3.09Å; R87-F152 HydrophobicContact CB-CD1 4.07Å; R87-F152 HydrophobicContact CB-CE1 4.39Å; R87-F152 HydrophobicContact CG-CD1 3.9Å; R87-F152 HydrophobicContact CG-CE1 3.87Å |
| 88 | L | 89.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 177.6 | -177.8 | 59.4 | 0 | 0 | 0 | 111.5 | N84 M85 G90 C91 L92 F96 L111 V126 L149 F152 | N84-L88 WeakPolarHBondContact O-CB 3.47Å; N84-L88 PolarHBondContact O-N 3.38Å; M85-L88 PolarHBondContact O-N 3.46Å; M85-L88 HydrophobicContact SD-CD2 4Å; L88-G90 VanDerWaalsContact C-N 3.26Å; L88-G90 PolarHBondContact O-N 3.24Å; L88-C91 PolarHBondContact O-N 2.94Å; L88-C91 VanDerWaalsContact O-N 3.1Å; L88-L92 HydrophobicContact CD1-CD1 4.29Å; L88-L92 HydrophobicContact CG-CD1 3.96Å; L88-L92 WeakPolarHBondContact O-CD1 3.27Å; L88-L92 PolarHBondContact O-N 3.09Å; L88-F96 HydrophobicContact CD1-CE2 4.34Å; L88-F96 HydrophobicContact CD1-CZ 4.19Å; L88-L111 HydrophobicContact CD2-CD1 3.8Å; L88-L111 HydrophobicContact CG-CD1 3.92Å; L88-V126 HydrophobicContact CD2-CG1 3.82Å; L88-L149 HydrophobicContact CD1-CD2 3.72Å; L88-L149 HydrophobicContact CD2-CD2 3.84Å; L88-L149 HydrophobicContact CG-CD2 4.47Å; L88-F152 HydrophobicContact CB-CD1 4.1Å; L88-F152 HydrophobicContact CB-CG 4.33Å; L88-F152 HydrophobicContact CD1-CD1 4.36Å; L88-F152 HydrophobicContact CD1-CD2 3.93Å; L88-F152 HydrophobicContact CD1-CE1 4.46Å; L88-F152 HydrophobicContact CD1-CE2 4.04Å; L88-F152 HydrophobicContact CD1-CG 4.1Å; L88-F152 HydrophobicContact CD1-CZ 4.31Å |
| 89 | A | 86.7 | Confident | 85.6 | Confident | 53 Ų | 53 | 56 Ų | 56 | 44% | 0.438 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M85 | M85-A89 VanDerWaalsContact O-CB 3.26Å; M85-A89 WeakPolarHBondContact O-CB 3.49Å; M85-A89 PolarHBondContact O-N 3.45Å |
| 90 | G | 85.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K86 R87 L88 | K86-G90 PolarHBondContact O-N 3.24Å; R87-G90 PolarHBondContact O-N 3.37Å; L88-G90 VanDerWaalsContact C-N 3.26Å; L88-G90 PolarHBondContact O-N 3.24Å |
| 91 | C | 85 | Confident | 85 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 28% | 0.284 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79 | -24.8 | -178.3 | -166.6 | 0 | 0 | 0 | 0 | 113.5 | R87 L88 A93 D94 F152 | R87-C91 PolarHBondContact O-N 2.97Å; R87-C91 VanDerWaalsContact O-N 3.1Å; L88-C91 PolarHBondContact O-N 2.94Å; L88-C91 VanDerWaalsContact O-N 3.1Å; C91-A93 PolarHBondContact O-N 3.02Å; C91-A93 VanDerWaalsContact O-N 3.16Å; C91-D94 PolarHBondContact O-N 3.36Å; C91-D94 VanDerWaalsContact O-O 3.06Å; C91-F152 HydrophobicContact CB-CE1 3.82Å; C91-F152 HydrophobicContact CB-CZ 3.59Å |
| 92 | L | 81 | Confident | 84.6 | Confident | 22 Ų | 22 | 64 Ų | 64 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.4 | 178.9 | -86.7 | 151.5 | 0 | 0 | 0 | 113.9 | L88 D94 F96 L111 L113 | L88-L92 HydrophobicContact CD1-CD1 4.29Å; L88-L92 HydrophobicContact CG-CD1 3.96Å; L88-L92 WeakPolarHBondContact O-CD1 3.27Å; L88-L92 PolarHBondContact O-N 3.09Å; L92-D94 VanDerWaalsContact C-N 3.29Å; L92-F96 HydrophobicContact CD2-CB 4.3Å; L92-F96 HydrophobicContact CD2-CD1 3.56Å; L92-F96 HydrophobicContact CD2-CE1 4.07Å; L92-F96 HydrophobicContact CD2-CG 4Å; L92-F96 HydrophobicContact CG-CD1 4.38Å; L92-F96 HydrophobicContact CG-CG 4.47Å; L92-L111 HydrophobicContact CD1-CD1 3.55Å; L92-L113 HydrophobicContact CD1-CD2 4.05Å; L92-L113 HydrophobicContact CD2-CD1 4.35Å; L92-L113 HydrophobicContact CD2-CD2 3.43Å; L92-L113 VanDerWaalsContact CD2-CD2 3.43Å; L92-L113 HydrophobicContact CG-CD2 4.42Å |
| 93 | A | 73.9 | Confident | 84 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 72% | 0.719 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C91 | C91-A93 PolarHBondContact O-N 3.02Å; C91-A93 VanDerWaalsContact O-N 3.16Å |
| 94 | D | 71.9 | Confident | 83.4 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -103.6 | 111.8 | -176.9 | -64.2 | -29.4 | 0 | 0 | 0 | 109.7 | C91 L92 F96 | C91-D94 PolarHBondContact O-N 3.36Å; C91-D94 VanDerWaalsContact O-O 3.06Å; L92-D94 VanDerWaalsContact C-N 3.29Å; D94-F96 WeakPolarHBondContact O-CA 3.33Å; D94-F96 PolarHBondContact O-N 3.37Å |
| 95 | D | 70.3 | Confident | 82.6 | Confident | 159 Ų | 159 | 71.6 Ų | 71.6 | 85% | 0.85 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 8.9 | 60.4 | 177.2 | -161 | 15.1 | 0 | 0 | 0 | 116.9 | G97 | D95-G97 PolarHBondContact O-N 3.48Š|
| 96 | F | 78.4 | Confident | 82.1 | Confident | 14 Ų | 14 | 76.5 Ų | 76.5 | 6% | 0.061 | 44% | 0.437 | C | S | . | . | trans | -83.5 | -3.1 | -173.8 | -168.6 | -99.5 | 0 | 0 | 0 | 112 | L88 L92 D94 F98 L113 L145 R148 L149 F152 | L88-F96 HydrophobicContact CD1-CE2 4.34Å; L88-F96 HydrophobicContact CD1-CZ 4.19Å; L92-F96 HydrophobicContact CD2-CB 4.3Å; L92-F96 HydrophobicContact CD2-CD1 3.56Å; L92-F96 HydrophobicContact CD2-CE1 4.07Å; L92-F96 HydrophobicContact CD2-CG 4Å; L92-F96 HydrophobicContact CG-CD1 4.38Å; L92-F96 HydrophobicContact CG-CG 4.47Å; D94-F96 WeakPolarHBondContact O-CA 3.33Å; D94-F96 PolarHBondContact O-N 3.37Å; F96-F98 HydrophobicContact CD1-CB 4.01Å; F96-F98 HydrophobicContact CD1-CD2 4.07Å; F96-F98 HydrophobicContact CD1-CG 4.48Å; F96-F98 HydrophobicContact CE1-CB 4.49Å; F96-F98 HydrophobicContact CE1-CD2 4.17Å; F96-F98 PolarHBondContact O-N 3.07Å; F96-F98 VanDerWaalsContact O-N 3.12Å; F96-L113 HydrophobicContact CE1-CD1 4.34Å; F96-L145 HydrophobicContact CE1-CD1 3.54Å; F96-L145 HydrophobicContact CZ-CD1 4Å; F96-R148 HydrophobicContact CE2-CB 3.94Å; F96-R148 HydrophobicContact CZ-CB 3.82Å; F96-R148 PolarHBondContact O-NH1 2.94Å; F96-L149 HydrophobicContact CZ-CD2 4.24Å; F96-F152 HydrophobicContact CE2-CE2 4.19Å | ||
| 97 | G | 81.7 | Confident | 81.7 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 22% | 0.216 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 71.1 | -9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D95 S116 | D95-G97 PolarHBondContact O-N 3.48Å; G97-S116 WeakPolarHBondContact O-CB 3.33Å; G97-S116 PolarHBondContact O-N 3.48Å; G97-S116 PolarHBondContact O-OG 3.28Å |
| 98 | F | 85.2 | Confident | 81.4 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 4% | 0.039 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.6 | 173.8 | -60.5 | -101.9 | 0 | 0 | 0 | 110.2 | F96 L113 S114 P115 L145 | F96-F98 HydrophobicContact CD1-CB 4.01Å; F96-F98 HydrophobicContact CD1-CD2 4.07Å; F96-F98 HydrophobicContact CD1-CG 4.48Å; F96-F98 HydrophobicContact CE1-CB 4.49Å; F96-F98 HydrophobicContact CE1-CD2 4.17Å; F96-F98 PolarHBondContact O-N 3.07Å; F96-F98 VanDerWaalsContact O-N 3.12Å; F98-L113 HydrophobicContact CB-CB 4.2Å; F98-L113 HydrophobicContact CD1-CB 4.47Å; F98-S114 CarbonylContact C-O 3.57Å; F98-S114 WeakPolarHBondContact CA-O 3.46Å; F98-S114 WeakPolarHBondContact CB-O 3.39Å; F98-P115 HydrophobicContact CD1-CB 4.19Å; F98-P115 HydrophobicContact CE1-CB 4.04Å; F98-L145 HydrophobicContact CD2-CD1 3.82Å; F98-L145 HydrophobicContact CE1-CB 4.48Å; F98-L145 HydrophobicContact CE1-CD2 4.34Å; F98-L145 HydrophobicContact CE2-CB 3.91Å; F98-L145 HydrophobicContact CE2-CD1 3.81Å; F98-L145 HydrophobicContact CE2-CG 4.35Å; F98-L145 HydrophobicContact CG-CD1 4.29Å; F98-L145 HydrophobicContact CZ-CB 3.77Å; F98-L145 HydrophobicContact CZ-CD1 4.25Å; F98-L145 HydrophobicContact CZ-CD2 4.43Å; F98-L145 HydrophobicContact CZ-CG 4.35Å |
| 99 | T | 86.1 | Confident | 81.3 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.9 | 176.1 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | L113 S114 S116 | T99-L113 WeakPolarHBondContact O-CA 3.39Å; T99-S114 PolarHBondContact N-O 3.08Å; T99-S114 PolarHBondContact O-N 3.25Å; T99-S116 PolarHBondContact OG1-OG 3.23Å; T99-S116 VanDerWaalsContact OG1-OG 3.13Å |
| 100 | A | 86.6 | Confident | 81.5 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 126.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R112 L113 | A100-R112 CarbonylContact C-O 3.53Å; A100-R112 WeakPolarHBondContact CA-O 3.39Å; A100-L113 HydrophobicContact CB-CD2 4.02Å |
| 101 | L | 85.7 | Confident | 81.9 | Confident | 61 Ų | 61 | 67 Ų | 67 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 143.1 | 176.6 | -62.4 | 178.4 | 0 | 0 | 0 | 110.1 | R112 | L101-R112 HydrophobicContact CB-CB 4.4Å; L101-R112 HydrophobicContact CB-CG 4.12Å; L101-R112 PolarHBondContact N-O 3.49Å |
| 102 | P | 82.3 | Confident | 82.2 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 78% | 0.779 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 138 | 173.6 | 28.5 | -33.3 | 0 | 0 | 0 | 110.4 | ||
| 103 | L | 80.9 | Confident | 82.7 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | trans | -114.2 | -64.4 | 175.1 | -175.8 | 65.6 | 0 | 0 | 0 | 111.1 | L107 V110 F125 L199 Y202 | L103-L107 HydrophobicContact CD2-CD1 3.68Å; L103-L107 HydrophobicContact CG-CD1 4.12Å; L103-V110 HydrophobicContact CD2-CG1 3.98Å; L103-V110 HydrophobicContact CD2-CG2 4.45Å; L103-F125 HydrophobicContact CD1-CE1 4.22Å; L103-F125 HydrophobicContact CD2-CD1 4.46Å; L103-F125 HydrophobicContact CD2-CE1 4.13Å; L103-L199 HydrophobicContact CD1-CD2 4.26Å; L103-Y202 HydrophobicContact CD2-CD2 3.76Å; L103-Y202 HydrophobicContact CD2-CE2 4.48Å; L103-Y202 HydrophobicContact CD2-CG 3.96Å | ||
| 104 | S | 80.1 | Confident | 83.4 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | trans | -159.1 | 149.2 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | E106 L107 | S104-E106 PolarHBondContact O-N 3.04Å; S104-E106 PolarHBondContact OG-N 3.32Å; S104-L107 PolarHBondContact O-N 3.02Å | ||
| 105 | M | 76.4 | Confident | 84.2 | Confident | 181 Ų | 181 | 57.3 Ų | 57.3 | 89% | 0.892 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.4 | 173.4 | -74.5 | -176.8 | -84.6 | 0 | 0 | 113.1 | L107 | M105-L107 VanDerWaalsContact C-N 3.32Š|
| 106 | E | 77.6 | Confident | 84.7 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -22.3 | 178 | -65 | 167.8 | 173.8 | 0 | 0 | 112.2 | S104 F273 K277 | S104-E106 PolarHBondContact O-N 3.04Å; S104-E106 PolarHBondContact OG-N 3.32Å; E106-F273 HydrophobicContact CB-CD2 4.24Å; E106-F273 HydrophobicContact CB-CE2 4.3Å; E106-F273 WeakPolarHBondContact OE2-CD2 3.31Å; E106-F273 VanDerWaalsContact OE2-CE2 3.3Å; E106-F273 WeakPolarHBondContact OE2-CE2 3.36Å; E106-K277 IonicContact OE2-NZ 3.01Å; E106-K277 PolarHBondContact OE2-NZ 3.03Å; E106-K277 VanDerWaalsContact OE2-NZ 3.15Å |
| 107 | L | 82.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | trans | -104.3 | 81 | -169.1 | -68.7 | -178.7 | 0 | 0 | 0 | 111.1 | L103 S104 M105 V110 Y202 F273 | L103-L107 HydrophobicContact CD2-CD1 3.68Å; L103-L107 HydrophobicContact CG-CD1 4.12Å; S104-L107 PolarHBondContact O-N 3.02Å; M105-L107 VanDerWaalsContact C-N 3.32Å; L107-V110 HydrophobicContact CB-CG1 3.68Å; L107-V110 HydrophobicContact CD1-CG1 4.21Å; L107-V110 HydrophobicContact CG-CG1 4.42Å; L107-Y202 HydrophobicContact CD1-CD1 3.97Å; L107-Y202 HydrophobicContact CD1-CD2 4.27Å; L107-Y202 HydrophobicContact CD1-CE1 3.7Å; L107-Y202 HydrophobicContact CD1-CE2 4.03Å; L107-Y202 HydrophobicContact CD1-CG 4.24Å; L107-Y202 HydrophobicContact CD2-CE1 4.12Å; L107-Y202 WeakPolarHBondContact CD2-OH 3.05Å; L107-F273 HydrophobicContact CD1-CD2 4.45Å; L107-F273 HydrophobicContact CD1-CE1 4.15Å; L107-F273 HydrophobicContact CD1-CE2 3.77Å; L107-F273 HydrophobicContact CD1-CZ 3.59Å; L107-F273 HydrophobicContact CD2-CD1 4.29Å; L107-F273 HydrophobicContact CD2-CD2 3.6Å; L107-F273 HydrophobicContact CD2-CE1 4.44Å; L107-F273 HydrophobicContact CD2-CE2 3.76Å; L107-F273 HydrophobicContact CD2-CG 3.87Å; L107-F273 HydrophobicContact CD2-CZ 4.19Å; L107-F273 HydrophobicContact CG-CD2 3.96Å; L107-F273 HydrophobicContact CG-CE2 3.6Å; L107-F273 HydrophobicContact CG-CZ 3.98Å | ||
| 108 | N | 83.1 | Confident | 83.4 | Confident | 137 Ų | 137 | 65.6 Ų | 65.6 | 73% | 0.733 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.3 | -179 | -65.5 | -37 | 0 | 0 | 0 | 114.2 | ||
| 109 | N | 87.5 | Confident | 82.4 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.283 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 4.6 | -179 | 65.1 | -37 | 0 | 0 | 0 | 113.4 | A128 E129 | N109-A128 HydrophobicContact CB-CB 3.93Å; N109-A128 WeakPolarHBondContact O-CB 3.41Å; N109-A128 PolarHBondContact O-N 3.15Å; N109-E129 PolarHBondContact ND2-OE1 2.96Å |
| 110 | V | 90.9 | Very high | 81.4 | Confident | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.055 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.7 | -178.4 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | L103 L107 F125 V126 F127 Y202 | L103-V110 HydrophobicContact CD2-CG1 3.98Å; L103-V110 HydrophobicContact CD2-CG2 4.45Å; L107-V110 HydrophobicContact CB-CG1 3.68Å; L107-V110 HydrophobicContact CD1-CG1 4.21Å; L107-V110 HydrophobicContact CG-CG1 4.42Å; V110-F125 HydrophobicContact CG2-CB 4.39Å; V110-F125 HydrophobicContact CG2-CD1 4.11Å; V110-V126 CarbonylContact C-O 3.53Å; V110-V126 VanDerWaalsContact CA-O 3.29Å; V110-V126 WeakPolarHBondContact CA-O 3.5Å; V110-F127 HydrophobicContact CB-CD1 4.34Å; V110-F127 HydrophobicContact CB-CE1 4.43Å; V110-F127 HydrophobicContact CG2-CD1 4.34Å; V110-F127 HydrophobicContact CG2-CE1 4.18Å; V110-F127 HydrophobicContact CG2-CZ 4.32Å; V110-Y202 HydrophobicContact CB-CE2 4.11Å; V110-Y202 HydrophobicContact CG1-CD2 4.15Å; V110-Y202 HydrophobicContact CG1-CE2 3.63Å; V110-Y202 HydrophobicContact CG2-CD2 4.15Å; V110-Y202 HydrophobicContact CG2-CE2 4.13Å |
| 111 | L | 92.1 | Very high | 80.8 | Confident | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.3 | 171.5 | -64 | 175.5 | 0 | 0 | 0 | 109.8 | M85 L88 L92 L113 F125 V126 | M85-L111 HydrophobicContact CG-CD1 4.34Å; M85-L111 HydrophobicContact CG-CG 4.39Å; M85-L111 HydrophobicContact SD-CD1 3.33Å; M85-L111 WeakPolarHBondContact SD-CD1 3.46Å; M85-L111 HydrophobicContact SD-CG 3.52Å; M85-L111 VanDerWaalsContact SD-CG 3.52Å; L88-L111 HydrophobicContact CD2-CD1 3.8Å; L88-L111 HydrophobicContact CG-CD1 3.92Å; L92-L111 HydrophobicContact CD1-CD1 3.55Å; L111-L113 HydrophobicContact CB-CD2 4.42Å; L111-F125 WeakPolarHBondContact O-CA 3.31Å; L111-V126 HydrophobicContact CB-CB 4.47Å; L111-V126 PolarHBondContact N-O 3.45Å; L111-V126 PolarHBondContact O-N 3.16Å |
| 112 | R | 92.5 | Very high | 80.9 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.9 | 170.4 | -178.2 | -177 | 177 | -158.7 | 3.3 | 108.5 | A100 L101 E123 A124 F125 S198 | A100-R112 CarbonylContact C-O 3.53Å; A100-R112 WeakPolarHBondContact CA-O 3.39Å; L101-R112 HydrophobicContact CB-CB 4.4Å; L101-R112 HydrophobicContact CB-CG 4.12Å; L101-R112 PolarHBondContact N-O 3.49Å; R112-E123 IonicContact CZ-OE1 3.3Å; R112-E123 IonicContact CZ-OE2 3.63Å; R112-E123 VanDerWaalsContact CZ-OE2 3.3Å; R112-E123 IonicContact NE-OE1 3.7Å; R112-E123 IonicContact NE-OE2 3.81Å; R112-E123 PolarHBondContact NE-OE2 3.05Å; R112-E123 IonicContact NH2-OE1 2.84Å; R112-E123 PolarHBondContact NH2-OE1 3.28Å; R112-E123 IonicContact NH2-OE2 3.14Å; R112-E123 PolarHBondContact NH2-OE2 3.31Å; R112-A124 CarbonylContact C-O 3.56Å; R112-A124 WeakPolarHBondContact CA-O 3.48Å; R112-F125 HydrophobicContact CB-CD1 4.31Å; R112-F125 HydrophobicContact CB-CE1 4.12Å; R112-F125 HydrophobicContact CG-CD1 4.49Å; R112-F125 HydrophobicContact CG-CE1 4Å; R112-F125 HydrophobicContact CG-CZ 4.23Å; R112-S198 PolarHBondContact NH1-OG 3.34Å; R112-S198 PolarHBondContact NH2-OG 3.01Å; R112-S198 VanDerWaalsContact NH2-OG 3.09Å |
| 113 | L | 91.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.7 | -177.6 | -57.2 | -176.6 | 0 | 0 | 0 | 109.9 | L92 F96 F98 T99 A100 L111 E123 A124 V126 L145 | L92-L113 HydrophobicContact CD1-CD2 4.05Å; L92-L113 HydrophobicContact CD2-CD1 4.35Å; L92-L113 HydrophobicContact CD2-CD2 3.43Å; L92-L113 VanDerWaalsContact CD2-CD2 3.43Å; L92-L113 HydrophobicContact CG-CD2 4.42Å; F96-L113 HydrophobicContact CE1-CD1 4.34Å; F98-L113 HydrophobicContact CB-CB 4.2Å; F98-L113 HydrophobicContact CD1-CB 4.47Å; T99-L113 WeakPolarHBondContact O-CA 3.39Å; A100-L113 HydrophobicContact CB-CD2 4.02Å; L111-L113 HydrophobicContact CB-CD2 4.42Å; L113-E123 CarbonylContact O-C 3.47Å; L113-E123 WeakPolarHBondContact O-CA 3.42Å; L113-A124 HydrophobicContact CB-CB 4.4Å; L113-A124 PolarHBondContact N-O 3.33Å; L113-A124 PolarHBondContact O-N 3.5Å; L113-V126 HydrophobicContact CD1-CG2 3.67Å; L113-V126 HydrophobicContact CG-CG2 4.35Å; L113-L145 HydrophobicContact CD1-CD1 4.14Å; L113-L145 HydrophobicContact CD1-CD2 4.35Å |
| 114 | S | 89 | Confident | 81.9 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.2 | 169.8 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | F98 T99 S116 | F98-S114 CarbonylContact C-O 3.57Å; F98-S114 WeakPolarHBondContact CA-O 3.46Å; F98-S114 WeakPolarHBondContact CB-O 3.39Å; T99-S114 PolarHBondContact N-O 3.08Å; T99-S114 PolarHBondContact O-N 3.25Å; S114-S116 PolarHBondContact O-N 3.4Å |
| 115 | P | 86.9 | Confident | 82.7 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 8% | 0.078 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 138.2 | 173 | 27.2 | -33.5 | 0 | 0 | 0 | 109.6 | F98 Q117 H120 G122 L137 | F98-P115 HydrophobicContact CD1-CB 4.19Å; F98-P115 HydrophobicContact CE1-CB 4.04Å; P115-Q117 PolarHBondContact O-N 3.4Å; P115-H120 HydrophobicContact CG-CB 3.9Å; P115-G122 WeakPolarHBondContact CD-O 3.43Å; P115-L137 HydrophobicContact CG-CD2 4.04Å |
| 116 | S | 80.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 51 Ų | 51 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -74.5 | -16.4 | 179.7 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | G97 T99 S114 L118 | G97-S116 WeakPolarHBondContact O-CB 3.33Å; G97-S116 PolarHBondContact O-N 3.48Å; G97-S116 PolarHBondContact O-OG 3.28Å; T99-S116 PolarHBondContact OG1-OG 3.23Å; T99-S116 VanDerWaalsContact OG1-OG 3.13Å; S114-S116 PolarHBondContact O-N 3.4Å; S116-L118 PolarHBondContact O-N 3.34Å; S116-L118 VanDerWaalsContact O-N 3.12Å |
| 117 | Q | 74 | Confident | 84.3 | Confident | 126 Ų | 126 | 44.9 Ų | 44.9 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -64 | 112 | 174.4 | -61.9 | -174.5 | 40.3 | 0 | 0 | 109.2 | P115 G119 | P115-Q117 PolarHBondContact O-N 3.4Å; Q117-G119 PolarHBondContact O-N 3.02Å; Q117-G119 VanDerWaalsContact O-N 3.09Å |
| 118 | L | 58.9 | Low | 84.8 | Confident | 182 Ų | 182 | 45.4 Ų | 45.4 | 95% | 0.953 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 114.1 | -178.5 | -118.4 | 87.7 | 0 | 0 | 0 | 110.7 | S116 | S116-L118 PolarHBondContact O-N 3.34Å; S116-L118 VanDerWaalsContact O-N 3.12Å |
| 119 | G | 64.2 | Low | 85.1 | Confident | 76 Ų | 76 | 40.7 Ų | 40.7 | 78% | 0.784 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 118.1 | -6.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q117 | Q117-G119 PolarHBondContact O-N 3.02Å; Q117-G119 VanDerWaalsContact O-N 3.09Å |
| 120 | H | 64.8 | Low | 85.3 | Confident | 77 Ų | 77 | 38.2 Ų | 38.2 | 36% | 0.356 | 23% | 0.227 | S | C | . | . | trans | -83 | 122.6 | 170.7 | -70 | -79.5 | 0 | 0 | 0 | 110.3 | P115 G122 | P115-H120 HydrophobicContact CG-CB 3.9Å; H120-G122 PolarHBondContact O-N 3.48Å | ||
| 121 | P | 74.6 | Confident | 85.4 | Confident | 93 Ų | 93 | 37.8 Ų | 37.8 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | trans | -76.4 | 3 | 178.5 | 33.6 | -36.9 | 0 | 0 | 0 | 113.2 | ||||
| 122 | G | 87.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -73.1 | 146.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | P115 H120 W135 | P115-G122 WeakPolarHBondContact CD-O 3.43Å; H120-G122 PolarHBondContact O-N 3.48Å; G122-W135 CarbonylContact C-O 3.51Å; G122-W135 WeakPolarHBondContact CA-O 3.48Å | ||
| 123 | E | 91.9 | Very high | 85.8 | Confident | 15 Ų | 15 | 35 Ų | 35 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 154.2 | 179.2 | -66 | 174.6 | -151.5 | 0 | 0 | 109.8 | R112 L113 W135 L137 K201 | R112-E123 IonicContact CZ-OE1 3.3Å; R112-E123 IonicContact CZ-OE2 3.63Å; R112-E123 VanDerWaalsContact CZ-OE2 3.3Å; R112-E123 IonicContact NE-OE1 3.7Å; R112-E123 IonicContact NE-OE2 3.81Å; R112-E123 PolarHBondContact NE-OE2 3.05Å; R112-E123 IonicContact NH2-OE1 2.84Å; R112-E123 PolarHBondContact NH2-OE1 3.28Å; R112-E123 IonicContact NH2-OE2 3.14Å; R112-E123 PolarHBondContact NH2-OE2 3.31Å; L113-E123 CarbonylContact O-C 3.47Å; L113-E123 WeakPolarHBondContact O-CA 3.42Å; E123-W135 HydrophobicContact CB-CB 4.42Å; E123-W135 PolarHBondContact N-O 2.97Å; E123-W135 WeakPolarHBondContact O-CB 3.46Å; E123-W135 PolarHBondContact O-N 3.47Å; E123-L137 WeakPolarHBondContact O-CD1 3.47Å; E123-K201 IonicContact OE1-NZ 3.94Å; E123-K201 PolarHBondContact OE1-NZ 2.97Å; E123-K201 IonicContact OE2-NZ 2.8Å; E123-K201 PolarHBondContact OE2-NZ 3.15Å |
| 124 | A | 94.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R112 L113 V133 F134 L137 L145 | R112-A124 CarbonylContact C-O 3.56Å; R112-A124 WeakPolarHBondContact CA-O 3.48Å; L113-A124 HydrophobicContact CB-CB 4.4Å; L113-A124 PolarHBondContact N-O 3.33Å; L113-A124 PolarHBondContact O-N 3.5Å; A124-V133 CarbonylContact C-O 3.57Å; A124-V133 VanDerWaalsContact CA-O 3.28Å; A124-V133 WeakPolarHBondContact CA-O 3.42Å; A124-F134 HydrophobicContact CB-CD1 3.88Å; A124-F134 HydrophobicContact CB-CE1 4.23Å; A124-L137 HydrophobicContact CB-CD1 4.04Å; A124-L145 HydrophobicContact CB-CD2 3.62Å |
| 125 | F | 95.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118 | 171 | -67.2 | -91.5 | 0 | 0 | 0 | 108.4 | L103 V110 L111 R112 F127 V132 V133 W135 K201 | L103-F125 HydrophobicContact CD1-CE1 4.22Å; L103-F125 HydrophobicContact CD2-CD1 4.46Å; L103-F125 HydrophobicContact CD2-CE1 4.13Å; V110-F125 HydrophobicContact CG2-CB 4.39Å; V110-F125 HydrophobicContact CG2-CD1 4.11Å; L111-F125 WeakPolarHBondContact O-CA 3.31Å; R112-F125 HydrophobicContact CB-CD1 4.31Å; R112-F125 HydrophobicContact CB-CE1 4.12Å; R112-F125 HydrophobicContact CG-CD1 4.49Å; R112-F125 HydrophobicContact CG-CE1 4Å; R112-F125 HydrophobicContact CG-CZ 4.23Å; F125-F127 HydrophobicContact CB-CD2 4.25Å; F125-F127 HydrophobicContact CB-CE2 3.55Å; F125-F127 HydrophobicContact CB-CZ 4.16Å; F125-V132 CarbonylContact O-C 3.59Å; F125-V132 WeakPolarHBondContact O-CA 3.4Å; F125-V133 HydrophobicContact CB-CB 4.49Å; F125-V133 PolarHBondContact N-O 3.32Å; F125-V133 PolarHBondContact O-N 2.94Å; F125-W135 AromaticContact CD2-CD1 3.6Å; F125-W135 AromaticContact CD2-NE1 3.56Å; F125-W135 AromaticContact CE2-CD1 3.65Å; F125-W135 HydrophobicContact CE2-CG 4.46Å; F125-W135 AromaticContact CE2-NE1 3.58Å; F125-K201 HydrophobicContact CE2-CB 3.82Å; F125-K201 HydrophobicContact CE2-CD 4.4Å; F125-K201 HydrophobicContact CZ-CB 3.81Å |
| 126 | V | 94.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.5 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | F83 M85 L88 V110 L111 L113 V132 L149 | F83-V126 HydrophobicContact CD2-CG1 3.66Å; F83-V126 HydrophobicContact CE2-CG1 3.92Å; F83-V126 HydrophobicContact CG-CG1 4.48Å; M85-V126 HydrophobicContact CE-CG1 4.49Å; L88-V126 HydrophobicContact CD2-CG1 3.82Å; V110-V126 CarbonylContact C-O 3.53Å; V110-V126 VanDerWaalsContact CA-O 3.29Å; V110-V126 WeakPolarHBondContact CA-O 3.5Å; L111-V126 HydrophobicContact CB-CB 4.47Å; L111-V126 PolarHBondContact N-O 3.45Å; L111-V126 PolarHBondContact O-N 3.16Å; L113-V126 HydrophobicContact CD1-CG2 3.67Å; L113-V126 HydrophobicContact CG-CG2 4.35Å; V126-V132 HydrophobicContact CG1-CG2 4.42Å; V126-V132 HydrophobicContact CG2-CG1 4.07Å; V126-V132 HydrophobicContact CG2-CG2 4.39Å; V126-L149 HydrophobicContact CG1-CD1 4.42Å; V126-L149 HydrophobicContact CG1-CD2 4.36Å; V126-L149 HydrophobicContact CG2-CD1 4.08Å |
| 127 | F | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137.4 | -175.4 | -74.4 | -91.3 | 0 | 0 | 0 | 110.6 | F83 V110 F125 E129 G130 A131 V133 Y202 N206 T209 | F83-F127 WeakPolarHBondContact CD2-O 3.37Å; V110-F127 HydrophobicContact CB-CD1 4.34Å; V110-F127 HydrophobicContact CB-CE1 4.43Å; V110-F127 HydrophobicContact CG2-CD1 4.34Å; V110-F127 HydrophobicContact CG2-CE1 4.18Å; V110-F127 HydrophobicContact CG2-CZ 4.32Å; F125-F127 HydrophobicContact CB-CD2 4.25Å; F125-F127 HydrophobicContact CB-CE2 3.55Å; F125-F127 HydrophobicContact CB-CZ 4.16Å; F127-E129 WeakPolarHBondContact CB-OE2 3.46Å; F127-E129 PolarHBondContact O-N 3.23Å; F127-G130 PolarHBondContact O-N 2.93Å; F127-A131 HydrophobicContact CB-CB 4.37Å; F127-A131 WeakPolarHBondContact CB-O 3.1Å; F127-A131 PolarHBondContact N-O 3.05Å; F127-V133 HydrophobicContact CD2-CG2 4.38Å; F127-V133 HydrophobicContact CE2-CB 4.42Å; F127-V133 HydrophobicContact CE2-CG2 3.92Å; F127-Y202 HydrophobicContact CE1-CD2 4.2Å; F127-Y202 AromaticContact CE1-CE2 3.69Å; F127-Y202 HydrophobicContact CE1-CE2 3.69Å; F127-Y202 HydrophobicContact CZ-CD2 4.19Å; F127-Y202 HydrophobicContact CZ-CE2 4.15Å; F127-N206 HydrophobicContact CE1-CB 4.07Å; F127-N206 HydrophobicContact CZ-CB 4.29Å; F127-T209 HydrophobicContact CB-CG2 4.23Å; F127-T209 HydrophobicContact CD1-CG2 4.49Å; F127-T209 WeakPolarHBondContact CD2-OG1 3.38Å; F127-T209 WeakPolarHBondContact CE2-OG1 3.44Å; F127-T209 HydrophobicContact CG-CG2 4.22Å; F127-T209 WeakPolarHBondContact CG-OG1 3.44Å |
| 128 | A | 91.9 | Very high | 87.4 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 20% | 0.198 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | S82 F83 M85 N109 G130 | S82-A128 CarbonylContact C-O 3.42Å; S82-A128 WeakPolarHBondContact CA-O 3.35Å; S82-A128 VanDerWaalsContact CB-O 3.23Å; S82-A128 WeakPolarHBondContact CB-O 3.3Å; F83-A128 PolarHBondContact N-O 3.37Å; M85-A128 HydrophobicContact CE-CB 3.71Å; M85-A128 VanDerWaalsContact CE-N 3.27Å; N109-A128 HydrophobicContact CB-CB 3.93Å; N109-A128 WeakPolarHBondContact O-CB 3.41Å; N109-A128 PolarHBondContact O-N 3.15Å; A128-G130 PolarHBondContact O-N 3.33Å; A128-G130 VanDerWaalsContact O-N 3.11Å |
| 129 | E | 89.2 | Confident | 88.7 | Confident | 39 Ų | 39 | 30.7 Ų | 30.7 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 12.5 | 175.3 | -57.9 | 77.8 | -171.4 | 0 | 0 | 113.5 | E81 N109 F127 A131 T209 | E81-E129 CarbonylContact O-C 3.04Å; N109-E129 PolarHBondContact ND2-OE1 2.96Å; F127-E129 WeakPolarHBondContact CB-OE2 3.46Å; F127-E129 PolarHBondContact O-N 3.23Å; E129-A131 VanDerWaalsContact C-N 3.33Å; E129-A131 PolarHBondContact O-N 3.29Å; E129-T209 HydrophobicContact CB-CG2 4.29Å |
| 130 | G | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 22.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T78 T79 A80 F83 F127 A128 | T78-G130 WeakPolarHBondContact CA-O 3.41Å; T78-G130 PolarHBondContact OG1-O 3.23Å; T78-G130 VanDerWaalsContact OG1-O 3.08Å; T79-G130 PolarHBondContact N-O 3.42Å; T79-G130 VanDerWaalsContact N-O 3.09Å; A80-G130 WeakPolarHBondContact O-CA 3.41Å; F83-G130 VanDerWaalsContact CE2-C 3.44Å; F127-G130 PolarHBondContact O-N 2.93Å; A128-G130 PolarHBondContact O-N 3.33Å; A128-G130 VanDerWaalsContact O-N 3.11Å |
| 131 | A | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y77 F127 E129 T209 V212 | Y77-A131 CarbonylContact O-C 3.46Å; Y77-A131 VanDerWaalsContact O-CA 3.29Å; Y77-A131 WeakPolarHBondContact O-CA 3.45Å; F127-A131 HydrophobicContact CB-CB 4.37Å; F127-A131 WeakPolarHBondContact CB-O 3.1Å; F127-A131 PolarHBondContact N-O 3.05Å; E129-A131 VanDerWaalsContact C-N 3.33Å; E129-A131 PolarHBondContact O-N 3.29Å; A131-T209 HydrophobicContact CB-CG2 3.48Å; A131-T209 VanDerWaalsContact CB-CG2 3.48Å; A131-V212 HydrophobicContact CB-CG2 4.23Å |
| 132 | V | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.9 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 109 | A76 Y77 F83 F125 V126 F134 L145 L146 L149 | A76-V132 WeakPolarHBondContact CA-O 3.45Å; Y77-V132 PolarHBondContact N-O 2.91Å; Y77-V132 PolarHBondContact O-N 2.96Å; F83-V132 HydrophobicContact CE2-CG2 3.73Å; F83-V132 HydrophobicContact CZ-CG2 3.97Å; F125-V132 CarbonylContact O-C 3.59Å; F125-V132 WeakPolarHBondContact O-CA 3.4Å; V126-V132 HydrophobicContact CG1-CG2 4.42Å; V126-V132 HydrophobicContact CG2-CG1 4.07Å; V126-V132 HydrophobicContact CG2-CG2 4.39Å; V132-F134 HydrophobicContact CB-CE2 3.9Å; V132-F134 HydrophobicContact CB-CZ 4.12Å; V132-F134 HydrophobicContact CG1-CD1 4.45Å; V132-F134 HydrophobicContact CG1-CD2 4.16Å; V132-F134 HydrophobicContact CG1-CE1 3.94Å; V132-F134 HydrophobicContact CG1-CE2 3.55Å; V132-F134 HydrophobicContact CG1-CZ 3.43Å; V132-F134 VanDerWaalsContact CG1-CZ 3.43Å; V132-L145 HydrophobicContact CG1-CD2 4.34Å; V132-L146 HydrophobicContact CG2-CD2 4.42Å; V132-L149 HydrophobicContact CG1-CD1 4.45Å; V132-L149 HydrophobicContact CG2-CD1 3.54Å |
| 133 | V | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.5 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | I74 W75 A76 A124 F125 F127 M208 | I74-V133 HydrophobicContact CG2-CG1 3.47Å; I74-V133 VanDerWaalsContact CG2-CG1 3.47Å; W75-V133 CarbonylContact O-C 3.56Å; W75-V133 WeakPolarHBondContact O-CA 3.41Å; A76-V133 HydrophobicContact CB-CG2 3.94Å; A124-V133 CarbonylContact C-O 3.57Å; A124-V133 VanDerWaalsContact CA-O 3.28Å; A124-V133 WeakPolarHBondContact CA-O 3.42Å; F125-V133 HydrophobicContact CB-CB 4.49Å; F125-V133 PolarHBondContact N-O 3.32Å; F125-V133 PolarHBondContact O-N 2.94Å; F127-V133 HydrophobicContact CD2-CG2 4.38Å; F127-V133 HydrophobicContact CE2-CB 4.42Å; F127-V133 HydrophobicContact CE2-CG2 3.92Å; V133-M208 HydrophobicContact CG1-SD 4.29Å; V133-M208 HydrophobicContact CG2-CB 4.3Å |
| 134 | F | 95.2 | Very high | 92 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.5 | -178.2 | -58.5 | -89.6 | 0 | 0 | 0 | 110.1 | I74 W75 Y77 A124 V132 L137 R142 L145 L146 | I74-F134 CarbonylContact C-O 3.49Å; I74-F134 WeakPolarHBondContact CA-O 3.48Å; W75-F134 HydrophobicContact CB-CB 4.47Å; W75-F134 PolarHBondContact N-O 2.87Å; W75-F134 PolarHBondContact O-N 3.01Å; Y77-F134 AromaticContact CD2-CD2 3.57Å; Y77-F134 HydrophobicContact CD2-CD2 3.57Å; Y77-F134 AromaticContact CD2-CE2 3.46Å; Y77-F134 HydrophobicContact CD2-CE2 3.46Å; Y77-F134 VanDerWaalsContact CD2-CE2 3.46Å; Y77-F134 AromaticContact CE2-CD2 3.82Å; Y77-F134 HydrophobicContact CE2-CD2 3.82Å; Y77-F134 AromaticContact CE2-CE2 3.97Å; Y77-F134 HydrophobicContact CE2-CE2 3.97Å; Y77-F134 HydrophobicContact CG-CE2 4.36Å; A124-F134 HydrophobicContact CB-CD1 3.88Å; A124-F134 HydrophobicContact CB-CE1 4.23Å; V132-F134 HydrophobicContact CB-CE2 3.9Å; V132-F134 HydrophobicContact CB-CZ 4.12Å; V132-F134 HydrophobicContact CG1-CD1 4.45Å; V132-F134 HydrophobicContact CG1-CD2 4.16Å; V132-F134 HydrophobicContact CG1-CE1 3.94Å; V132-F134 HydrophobicContact CG1-CE2 3.55Å; V132-F134 HydrophobicContact CG1-CZ 3.43Å; V132-F134 VanDerWaalsContact CG1-CZ 3.43Å; F134-L137 HydrophobicContact CB-CB 4.35Å; F134-L137 HydrophobicContact CB-CD1 4.24Å; F134-L137 HydrophobicContact CD1-CD1 3.66Å; F134-L137 HydrophobicContact CG-CD1 4.46Å; F134-R142 HydrophobicContact CB-CG 3.99Å; F134-R142 HydrophobicContact CD1-CB 4.19Å; F134-R142 HydrophobicContact CD1-CG 3.67Å; F134-R142 HydrophobicContact CD2-CB 4.47Å; F134-R142 HydrophobicContact CD2-CG 4.12Å; F134-R142 HydrophobicContact CE1-CB 4.06Å; F134-R142 HydrophobicContact CE1-CG 4.07Å; F134-R142 HydrophobicContact CE2-CB 4.4Å; F134-R142 HydrophobicContact CG-CB 4.37Å; F134-R142 HydrophobicContact CG-CG 3.67Å; F134-R142 HydrophobicContact CZ-CB 4.19Å; F134-R142 HydrophobicContact CZ-CG 4.5Å; F134-L145 HydrophobicContact CD1-CD2 4.28Å; F134-L145 HydrophobicContact CE1-CB 3.91Å; F134-L145 HydrophobicContact CE1-CD2 3.43Å; F134-L145 VanDerWaalsContact CE1-CD2 3.43Å; F134-L145 HydrophobicContact CE1-CG 4.07Å; F134-L145 HydrophobicContact CZ-CB 4.35Å; F134-L145 HydrophobicContact CZ-CD2 4.09Å; F134-L145 HydrophobicContact CZ-CG 4.44Å; F134-L146 HydrophobicContact CE2-CD2 4.18Å; F134-L146 HydrophobicContact CE2-CG 4.28Å; F134-L146 HydrophobicContact CZ-CD2 4.03Å; F134-L146 HydrophobicContact CZ-CG 3.93Å |
| 135 | W | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.6 | 176.3 | -71.9 | 73.5 | 0 | 0 | 0 | 108.8 | I74 G122 E123 F125 L137 Y171 L186 L188 K201 V204 S205 | I74-W135 HydrophobicContact CD1-CD2 4.26Å; I74-W135 HydrophobicContact CD1-CE3 3.84Å; I74-W135 HydrophobicContact CD1-CH2 3.36Å; I74-W135 HydrophobicContact CD1-CZ2 3.8Å; I74-W135 HydrophobicContact CD1-CZ3 3.38Å; I74-W135 HydrophobicContact CG1-CD2 3.88Å; I74-W135 HydrophobicContact CG1-CE3 3.67Å; I74-W135 HydrophobicContact CG1-CH2 4.08Å; I74-W135 HydrophobicContact CG1-CZ2 4.25Å; I74-W135 HydrophobicContact CG1-CZ3 3.78Å; I74-W135 HydrophobicContact CG2-CD2 4.26Å; I74-W135 HydrophobicContact CG2-CG 4.48Å; I74-W135 HydrophobicContact CG2-CZ2 4.3Å; G122-W135 CarbonylContact C-O 3.51Å; G122-W135 WeakPolarHBondContact CA-O 3.48Å; E123-W135 HydrophobicContact CB-CB 4.42Å; E123-W135 PolarHBondContact N-O 2.97Å; E123-W135 WeakPolarHBondContact O-CB 3.46Å; E123-W135 PolarHBondContact O-N 3.47Å; F125-W135 AromaticContact CD2-CD1 3.6Å; F125-W135 AromaticContact CD2-NE1 3.56Å; F125-W135 AromaticContact CE2-CD1 3.65Å; F125-W135 HydrophobicContact CE2-CG 4.46Å; F125-W135 AromaticContact CE2-NE1 3.58Å; W135-L137 PolarHBondContact O-N 3.33Å; W135-L137 VanDerWaalsContact O-N 3.11Å; W135-Y171 HydrophobicContact CE3-CD1 4.13Å; W135-Y171 AromaticContact CE3-CE1 3.89Å; W135-Y171 HydrophobicContact CE3-CE1 3.89Å; W135-Y171 HydrophobicContact CZ3-CD1 4.15Å; W135-Y171 HydrophobicContact CZ3-CD2 4.5Å; W135-Y171 HydrophobicContact CZ3-CE1 4.33Å; W135-Y171 HydrophobicContact CZ3-CG 4.2Å; W135-L186 HydrophobicContact CH2-CD2 3.54Å; W135-L186 HydrophobicContact CZ3-CD2 3.89Å; W135-L188 HydrophobicContact CZ3-CD2 4.26Å; W135-K201 HydrophobicContact CD2-CB 4.29Å; W135-K201 HydrophobicContact CD2-CD 4.01Å; W135-K201 HydrophobicContact CD2-CG 3.98Å; W135-K201 HydrophobicContact CE3-CD 4.02Å; W135-K201 HydrophobicContact CE3-CG 3.84Å; W135-K201 HydrophobicContact CG-CD 4.43Å; W135-K201 HydrophobicContact CH2-CB 3.98Å; W135-K201 HydrophobicContact CH2-CG 3.76Å; W135-K201 VanDerWaalsContact CZ2-CA 3.48Å; W135-K201 HydrophobicContact CZ2-CB 3.68Å; W135-K201 HydrophobicContact CZ2-CG 3.91Å; W135-K201 VanDerWaalsContact CZ2-O 3.29Å; W135-K201 WeakPolarHBondContact CZ2-O 2.95Å; W135-K201 HydrophobicContact CZ3-CB 4.42Å; W135-K201 HydrophobicContact CZ3-CD 4.4Å; W135-K201 HydrophobicContact CZ3-CG 3.72Å; W135-V204 HydrophobicContact CH2-CB 4.27Å; W135-V204 HydrophobicContact CH2-CG1 4.34Å; W135-V204 HydrophobicContact CZ2-CB 4.12Å; W135-V204 HydrophobicContact CZ2-CG1 4.25Å; W135-S205 PolarHBondContact NE1-OG 3.02Å |
| 136 | D | 89.8 | Confident | 91.7 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 35% | 0.353 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 51.2 | 37.3 | 174.1 | -155.8 | 36.2 | 0 | 0 | 0 | 114.4 | P72 N73 Y171 | P72-D136 HydrophobicContact CB-CB 4.12Å; P72-D136 VanDerWaalsContact CB-OD1 3.26Å; P72-D136 WeakPolarHBondContact CB-OD1 3.44Å; N73-D136 PolarHBondContact O-N 3.38Å; D136-Y171 HydrophobicContact CB-CE1 4.48Å; D136-Y171 WeakPolarHBondContact CB-OH 3.45Å |
| 137 | L | 89.5 | Confident | 91.5 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | trans | -102.8 | 139.2 | 174.2 | -74.1 | 167.8 | 0 | 0 | 0 | 110.5 | P115 E123 A124 F134 W135 D141 R142 | P115-L137 HydrophobicContact CG-CD2 4.04Å; E123-L137 WeakPolarHBondContact O-CD1 3.47Å; A124-L137 HydrophobicContact CB-CD1 4.04Å; F134-L137 HydrophobicContact CB-CB 4.35Å; F134-L137 HydrophobicContact CB-CD1 4.24Å; F134-L137 HydrophobicContact CD1-CD1 3.66Å; F134-L137 HydrophobicContact CG-CD1 4.46Å; W135-L137 PolarHBondContact O-N 3.33Å; W135-L137 VanDerWaalsContact O-N 3.11Å; L137-D141 HydrophobicContact CD2-CB 4.39Å; L137-R142 HydrophobicContact CB-CG 4.02Å | ||
| 138 | E | 87.3 | Confident | 91.4 | Very high | 112 Ų | 112 | 38.5 Ų | 38.5 | 52% | 0.523 | 20% | 0.203 | S | C | . | . | trans | -68 | 155.8 | 176.2 | -63.7 | -165.4 | 168.2 | 0 | 0 | 111.3 | S140 D141 R142 | E138-S140 VanDerWaalsContact C-N 3.27Å; E138-S140 PolarHBondContact O-N 3.47Å; E138-D141 PolarHBondContact O-N 3.16Å; E138-D141 VanDerWaalsContact O-N 3.13Å; E138-R142 WeakPolarHBondContact O-CG 3.48Å; E138-R142 PolarHBondContact O-N 3.32Å | ||
| 139 | E | 87.4 | Confident | 91.4 | Very high | 125 Ų | 125 | 37.4 Ų | 37.4 | 58% | 0.584 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -59.7 | -37.3 | -176 | -173.9 | 172.4 | 176.4 | 0 | 0 | 113 | D141 R142 L143 | E139-D141 PolarHBondContact O-N 2.86Å; E139-R142 PolarHBondContact O-N 3.26Å; E139-L143 HydrophobicContact CG-CD1 4.12Å; E139-L143 HydrophobicContact CG-CG 4.43Å; E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.3Å |
| 140 | S | 88.4 | Confident | 91.6 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 49% | 0.49 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.9 | -47.2 | 174.7 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | E138 L143 D144 | E138-S140 VanDerWaalsContact C-N 3.27Å; E138-S140 PolarHBondContact O-N 3.47Å; S140-L143 PolarHBondContact O-N 3.45Å; S140-D144 WeakPolarHBondContact O-CB 3.42Å; S140-D144 PolarHBondContact O-N 3.44Å |
| 141 | D | 89.5 | Confident | 91.6 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.7 | -35.5 | -177.1 | -60.4 | -22.3 | 0 | 0 | 0 | 111.3 | L137 E138 E139 D144 L145 | L137-D141 HydrophobicContact CD2-CB 4.39Å; E138-D141 PolarHBondContact O-N 3.16Å; E138-D141 VanDerWaalsContact O-N 3.13Å; E139-D141 PolarHBondContact O-N 2.86Å; D141-D144 PolarHBondContact O-N 2.92Å; D141-L145 WeakPolarHBondContact O-CB 3.46Å; D141-L145 PolarHBondContact O-N 3.47Å |
| 142 | R | 91.1 | Very high | 91.6 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -48.6 | 173.7 | -63.7 | -173.5 | -51.1 | -147.9 | 5.2 | 111.1 | W75 F134 L137 E138 E139 D144 L145 L146 | W75-R142 VanDerWaalsContact CD2-NH1 3.32Å; W75-R142 VanDerWaalsContact CE2-NH1 3.27Å; F134-R142 HydrophobicContact CB-CG 3.99Å; F134-R142 HydrophobicContact CD1-CB 4.19Å; F134-R142 HydrophobicContact CD1-CG 3.67Å; F134-R142 HydrophobicContact CD2-CB 4.47Å; F134-R142 HydrophobicContact CD2-CG 4.12Å; F134-R142 HydrophobicContact CE1-CB 4.06Å; F134-R142 HydrophobicContact CE1-CG 4.07Å; F134-R142 HydrophobicContact CE2-CB 4.4Å; F134-R142 HydrophobicContact CG-CB 4.37Å; F134-R142 HydrophobicContact CG-CG 3.67Å; F134-R142 HydrophobicContact CZ-CB 4.19Å; F134-R142 HydrophobicContact CZ-CG 4.5Å; L137-R142 HydrophobicContact CB-CG 4.02Å; E138-R142 WeakPolarHBondContact O-CG 3.48Å; E138-R142 PolarHBondContact O-N 3.32Å; E139-R142 PolarHBondContact O-N 3.26Å; R142-D144 VanDerWaalsContact C-N 3.34Å; R142-L145 PolarHBondContact O-N 2.77Å; R142-L146 WeakPolarHBondContact O-CB 3.43Å; R142-L146 VanDerWaalsContact O-CG 3.25Å; R142-L146 WeakPolarHBondContact O-CG 3.25Å; R142-L146 PolarHBondContact O-N 3.37Å |
| 143 | L | 91.2 | Very high | 91.5 | Very high | 97 Ų | 97 | 48.2 Ų | 48.2 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.1 | -37.5 | 179.8 | -68.8 | 176.1 | 0 | 0 | 0 | 111.7 | E139 S140 L146 S147 | E139-L143 HydrophobicContact CG-CD1 4.12Å; E139-L143 HydrophobicContact CG-CG 4.43Å; E139-L143 VanDerWaalsContact O-CG 3.3Å; E139-L143 WeakPolarHBondContact O-CG 3.45Å; E139-L143 PolarHBondContact O-N 3.3Å; S140-L143 PolarHBondContact O-N 3.45Å; L143-L146 PolarHBondContact O-N 3.42Å; L143-S147 WeakPolarHBondContact O-CB 3.33Å; L143-S147 PolarHBondContact O-N 3.35Å |
| 144 | D | 90.9 | Very high | 91.4 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.2 | -52.3 | 172.9 | -175.9 | 34.7 | 0 | 0 | 0 | 110.7 | S140 D141 R142 L146 S147 R148 | S140-D144 WeakPolarHBondContact O-CB 3.42Å; S140-D144 PolarHBondContact O-N 3.44Å; D141-D144 PolarHBondContact O-N 2.92Å; R142-D144 VanDerWaalsContact C-N 3.34Å; D144-L146 PolarHBondContact O-N 2.92Å; D144-S147 WeakPolarHBondContact O-CB 3.3Å; D144-S147 PolarHBondContact O-N 3.38Å; D144-S147 VanDerWaalsContact O-N 3.1Å; D144-S147 PolarHBondContact O-OG 3.08Å; D144-R148 VanDerWaalsContact CG-NE 3.32Å; D144-R148 WeakPolarHBondContact O-CG 3.49Å; D144-R148 PolarHBondContact O-N 3.05Å; D144-R148 IonicContact OD1-CZ 3.66Å; D144-R148 IonicContact OD1-NE 2.98Å; D144-R148 PolarHBondContact OD1-NE 3.41Å; D144-R148 IonicContact OD1-NH2 2.72Å; D144-R148 PolarHBondContact OD1-NH2 3.46Å; D144-R148 IonicContact OD2-CZ 3.7Å; D144-R148 VanDerWaalsContact OD2-CZ 3.3Å; D144-R148 IonicContact OD2-NE 2.73Å; D144-R148 PolarHBondContact OD2-NE 2.93Å; D144-R148 IonicContact OD2-NH2 3.46Å; D144-R148 PolarHBondContact OD2-NH2 3.05Å |
| 145 | L | 91.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.6 | -176.3 | 57.5 | 0 | 0 | 0 | 112.2 | F96 F98 L113 A124 V132 F134 D141 R142 S147 R148 L149 | F96-L145 HydrophobicContact CE1-CD1 3.54Å; F96-L145 HydrophobicContact CZ-CD1 4Å; F98-L145 HydrophobicContact CD2-CD1 3.82Å; F98-L145 HydrophobicContact CE1-CB 4.48Å; F98-L145 HydrophobicContact CE1-CD2 4.34Å; F98-L145 HydrophobicContact CE2-CB 3.91Å; F98-L145 HydrophobicContact CE2-CD1 3.81Å; F98-L145 HydrophobicContact CE2-CG 4.35Å; F98-L145 HydrophobicContact CG-CD1 4.29Å; F98-L145 HydrophobicContact CZ-CB 3.77Å; F98-L145 HydrophobicContact CZ-CD1 4.25Å; F98-L145 HydrophobicContact CZ-CD2 4.43Å; F98-L145 HydrophobicContact CZ-CG 4.35Å; L113-L145 HydrophobicContact CD1-CD1 4.14Å; L113-L145 HydrophobicContact CD1-CD2 4.35Å; A124-L145 HydrophobicContact CB-CD2 3.62Å; V132-L145 HydrophobicContact CG1-CD2 4.34Å; F134-L145 HydrophobicContact CD1-CD2 4.28Å; F134-L145 HydrophobicContact CE1-CB 3.91Å; F134-L145 HydrophobicContact CE1-CD2 3.43Å; F134-L145 VanDerWaalsContact CE1-CD2 3.43Å; F134-L145 HydrophobicContact CE1-CG 4.07Å; F134-L145 HydrophobicContact CZ-CB 4.35Å; F134-L145 HydrophobicContact CZ-CD2 4.09Å; F134-L145 HydrophobicContact CZ-CG 4.44Å; D141-L145 WeakPolarHBondContact O-CB 3.46Å; D141-L145 PolarHBondContact O-N 3.47Å; R142-L145 PolarHBondContact O-N 2.77Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 2.99Å; L145-R148 PolarHBondContact O-N 3.36Å; L145-L149 HydrophobicContact CD1-CD1 4.27Å; L145-L149 HydrophobicContact CD1-CG 4.22Å; L145-L149 HydrophobicContact CG-CD1 3.99Å; L145-L149 HydrophobicContact CG-CG 4.39Å; L145-L149 WeakPolarHBondContact O-CG 3.44Å; L145-L149 PolarHBondContact O-N 3.1Å |
| 146 | L | 92.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -40 | 176.4 | -70.9 | 173 | 0 | 0 | 0 | 111.5 | Y77 T79 V132 F134 R142 L143 D144 R148 L149 K150 | Y77-L146 HydrophobicContact CD1-CD1 4.29Å; Y77-L146 HydrophobicContact CG-CD1 4.24Å; T79-L146 HydrophobicContact CG2-CD2 3.88Å; V132-L146 HydrophobicContact CG2-CD2 4.42Å; F134-L146 HydrophobicContact CE2-CD2 4.18Å; F134-L146 HydrophobicContact CE2-CG 4.28Å; F134-L146 HydrophobicContact CZ-CD2 4.03Å; F134-L146 HydrophobicContact CZ-CG 3.93Å; R142-L146 WeakPolarHBondContact O-CB 3.43Å; R142-L146 VanDerWaalsContact O-CG 3.25Å; R142-L146 WeakPolarHBondContact O-CG 3.25Å; R142-L146 PolarHBondContact O-N 3.37Å; L143-L146 PolarHBondContact O-N 3.42Å; D144-L146 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.24Å; L146-L149 PolarHBondContact O-N 2.98Å; L146-K150 PolarHBondContact O-N 3.46Å |
| 147 | S | 91.5 | Very high | 91.3 | Very high | 61 Ų | 61 | 54 Ų | 54 | 43% | 0.427 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 177.3 | 81.8 | 0 | 0 | 0 | 0 | 112.5 | L143 D144 L145 | L143-S147 WeakPolarHBondContact O-CB 3.33Å; L143-S147 PolarHBondContact O-N 3.35Å; D144-S147 WeakPolarHBondContact O-CB 3.3Å; D144-S147 PolarHBondContact O-N 3.38Å; D144-S147 VanDerWaalsContact O-N 3.1Å; D144-S147 PolarHBondContact O-OG 3.08Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 2.99Å |
| 148 | R | 90.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 56.6 Ų | 56.6 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.6 | -26.1 | 176.9 | -66.2 | 177.4 | -168.4 | -129.2 | 4.3 | 113.1 | F96 D144 L145 L146 P151 F152 | F96-R148 HydrophobicContact CE2-CB 3.94Å; F96-R148 HydrophobicContact CZ-CB 3.82Å; F96-R148 PolarHBondContact O-NH1 2.94Å; D144-R148 VanDerWaalsContact CG-NE 3.32Å; D144-R148 WeakPolarHBondContact O-CG 3.49Å; D144-R148 PolarHBondContact O-N 3.05Å; D144-R148 IonicContact OD1-CZ 3.66Å; D144-R148 IonicContact OD1-NE 2.98Å; D144-R148 PolarHBondContact OD1-NE 3.41Å; D144-R148 IonicContact OD1-NH2 2.72Å; D144-R148 PolarHBondContact OD1-NH2 3.46Å; D144-R148 IonicContact OD2-CZ 3.7Å; D144-R148 VanDerWaalsContact OD2-CZ 3.3Å; D144-R148 IonicContact OD2-NE 2.73Å; D144-R148 PolarHBondContact OD2-NE 2.93Å; D144-R148 IonicContact OD2-NH2 3.46Å; D144-R148 PolarHBondContact OD2-NH2 3.05Å; L145-R148 PolarHBondContact O-N 3.36Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.24Å; R148-P151 WeakPolarHBondContact O-CD 3.5Å; R148-F152 WeakPolarHBondContact O-CE2 3.4Å |
| 149 | L | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79.6 | -21.1 | 178.5 | -72.4 | 173.5 | 0 | 0 | 0 | 113.6 | F83 L88 F96 V126 V132 L145 L146 F152 | F83-L149 HydrophobicContact CE1-CB 4.17Å; F83-L149 HydrophobicContact CZ-CB 4.41Å; F83-L149 HydrophobicContact CZ-CD1 4.37Å; L88-L149 HydrophobicContact CD1-CD2 3.72Å; L88-L149 HydrophobicContact CD2-CD2 3.84Å; L88-L149 HydrophobicContact CG-CD2 4.47Å; F96-L149 HydrophobicContact CZ-CD2 4.24Å; V126-L149 HydrophobicContact CG1-CD1 4.42Å; V126-L149 HydrophobicContact CG1-CD2 4.36Å; V126-L149 HydrophobicContact CG2-CD1 4.08Å; V132-L149 HydrophobicContact CG1-CD1 4.45Å; V132-L149 HydrophobicContact CG2-CD1 3.54Å; L145-L149 HydrophobicContact CD1-CD1 4.27Å; L145-L149 HydrophobicContact CD1-CG 4.22Å; L145-L149 HydrophobicContact CG-CD1 3.99Å; L145-L149 HydrophobicContact CG-CG 4.39Å; L145-L149 WeakPolarHBondContact O-CG 3.44Å; L145-L149 PolarHBondContact O-N 3.1Å; L146-L149 PolarHBondContact O-N 2.98Å; L149-F152 PolarHBondContact O-N 3.29Å |
| 150 | K | 92.4 | Very high | 91.5 | Very high | 138 Ų | 138 | 57.5 Ų | 57.5 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -48.1 | -43.4 | 179.8 | -70.4 | -173.4 | 177.4 | -178.4 | 0 | 115.4 | L146 F152 E153 | L146-K150 PolarHBondContact O-N 3.46Å; K150-F152 PolarHBondContact O-N 3.48Å; K150-F152 VanDerWaalsContact O-N 3.15Å; K150-E153 WeakPolarHBondContact O-CB 3.46Å; K150-E153 PolarHBondContact O-N 3.03Å |
| 151 | P | 92.2 | Very high | 91.4 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -66.9 | -12.8 | -179.8 | -20.3 | 34.6 | 0 | 0 | 0 | 114.7 | R87 R148 | R87-P151 PolarHBondContact NH1-O 3.25Å; R87-P151 VanDerWaalsContact NH1-O 3.09Å; R148-P151 WeakPolarHBondContact O-CD 3.5Å |
| 152 | F | 93.5 | Very high | 91.2 | Very high | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -104.4 | -0.4 | -177.3 | -52.3 | -84.1 | 0 | 0 | 0 | 113.1 | N84 R87 L88 C91 F96 R148 L149 K150 | N84-F152 PolarHBondContact N-O 2.8Å; R87-F152 HydrophobicContact CB-CD1 4.07Å; R87-F152 HydrophobicContact CB-CE1 4.39Å; R87-F152 HydrophobicContact CG-CD1 3.9Å; R87-F152 HydrophobicContact CG-CE1 3.87Å; L88-F152 HydrophobicContact CB-CD1 4.1Å; L88-F152 HydrophobicContact CB-CG 4.33Å; L88-F152 HydrophobicContact CD1-CD1 4.36Å; L88-F152 HydrophobicContact CD1-CD2 3.93Å; L88-F152 HydrophobicContact CD1-CE1 4.46Å; L88-F152 HydrophobicContact CD1-CE2 4.04Å; L88-F152 HydrophobicContact CD1-CG 4.1Å; L88-F152 HydrophobicContact CD1-CZ 4.31Å; C91-F152 HydrophobicContact CB-CE1 3.82Å; C91-F152 HydrophobicContact CB-CZ 3.59Å; F96-F152 HydrophobicContact CE2-CE2 4.19Å; R148-F152 WeakPolarHBondContact O-CE2 3.4Å; L149-F152 PolarHBondContact O-N 3.29Å; K150-F152 PolarHBondContact O-N 3.48Å; K150-F152 VanDerWaalsContact O-N 3.15Å |
| 153 | E | 94.7 | Very high | 90.9 | Very high | 42 Ų | 42 | 59.9 Ų | 59.9 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 128.1 | 179 | -72.1 | 174.9 | -179.3 | 0 | 0 | 111.7 | T79 A80 F83 K150 P156 | T79-E153 WeakPolarHBondContact CB-OE1 3.37Å; T79-E153 PolarHBondContact OG1-OE1 3.36Å; A80-E153 HydrophobicContact CB-CB 3.72Å; A80-E153 HydrophobicContact CB-CG 3.75Å; F83-E153 HydrophobicContact CD1-CG 4.01Å; F83-E153 HydrophobicContact CE1-CG 3.5Å; K150-E153 WeakPolarHBondContact O-CB 3.46Å; K150-E153 PolarHBondContact O-N 3.03Å; E153-P156 HydrophobicContact CB-CB 4.36Å |
| 154 | E | 93.2 | Very high | 90.4 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.6 | 168.9 | -64.9 | -173.7 | 173.5 | 0 | 0 | 108.9 | E81 S82 N84 | E81-E154 PolarHBondContact N-O 3.08Å; S82-E154 PolarHBondContact N-O 3.44Å; S82-E154 PolarHBondContact O-N 3.03Å; S82-E154 WeakPolarHBondContact OG-CB 3.43Å; S82-E154 PolarHBondContact OG-OE2 3.06Å; N84-E154 HydrophobicContact CB-CG 4.32Å; N84-E154 WeakPolarHBondContact CB-OE1 3.47Å; N84-E154 PolarHBondContact ND2-OE1 2.97Å |
| 155 | S | 91.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.7 | 67.3 | -175 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | E81 | E81-S155 PolarHBondContact N-O 3.38Å; E81-S155 VanDerWaalsContact N-O 3.17Å |
| 156 | P | 94.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146.6 | 178.8 | 28.1 | -35.5 | 0 | 0 | 0 | 111.6 | E153 | E153-P156 HydrophobicContact CB-CB 4.36Å |
| 157 | Y | 91.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 11% | 0.106 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 163.4 | 172.7 | -56.5 | -55 | 0 | 0 | 0 | 111.6 | T78 T79 A80 E81 K213 V216 | T78-Y157 HydrophobicContact CG2-CE2 4.47Å; T79-Y157 WeakPolarHBondContact O-CD2 3.33Å; T79-Y157 PolarHBondContact O-N 3.09Å; A80-Y157 VanDerWaalsContact C-CZ 3.41Å; A80-Y157 WeakPolarHBondContact O-CE2 3.32Å; A80-Y157 VanDerWaalsContact O-CZ 3.3Å; A80-Y157 PolarHBondContact O-OH 2.98Å; E81-Y157 VanDerWaalsContact CA-OH 3.25Å; E81-Y157 WeakPolarHBondContact CA-OH 3.41Å; E81-Y157 HydrophobicContact CG-CE1 3.51Å; E81-Y157 WeakPolarHBondContact CG-OH 3.26Å; E81-Y157 PolarHBondContact N-OH 2.58Å; Y157-K213 WeakPolarHBondContact OH-CE 3.44Å; Y157-K213 PolarHBondContact OH-NZ 3.03Å; Y157-V216 HydrophobicContact CD1-CG1 3.82Å; Y157-V216 HydrophobicContact CD2-CG1 4.1Å; Y157-V216 HydrophobicContact CD2-CG2 4.15Å; Y157-V216 HydrophobicContact CE1-CG1 3.7Å; Y157-V216 HydrophobicContact CE2-CG1 3.98Å; Y157-V216 HydrophobicContact CE2-CG2 4.09Å; Y157-V216 HydrophobicContact CG-CG1 4.04Å |
| 158 | E | 91.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 137.4 | 167.1 | -60.5 | -169 | -173.7 | 0 | 0 | 110.2 | K160 I161 A162 | E158-K160 PolarHBondContact O-N 3.44Å; E158-K160 VanDerWaalsContact O-N 3.12Å; E158-I161 HydrophobicContact CB-CD1 4.18Å; E158-I161 HydrophobicContact CB-CG1 4.24Å; E158-I161 WeakPolarHBondContact O-CB 3.45Å; E158-I161 PolarHBondContact O-N 3.3Å; E158-A162 PolarHBondContact O-N 3.41Å |
| 159 | T | 88.3 | Confident | 90.2 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 60% | 0.601 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -51.9 | -40.8 | -176.2 | -47.1 | 0 | 0 | 0 | 0 | 112.6 | I161 A162 E163 | T159-I161 VanDerWaalsContact C-N 3.3Å; T159-I161 PolarHBondContact O-N 2.8Å; T159-A162 PolarHBondContact O-N 2.87Å; T159-E163 HydrophobicContact CG2-CG 4.28Å; T159-E163 WeakPolarHBondContact CG2-OE1 3.18Å; T159-E163 WeakPolarHBondContact O-CB 3.42Å; T159-E163 VanDerWaalsContact O-CG 3.31Å; T159-E163 WeakPolarHBondContact O-CG 3.35Å; T159-E163 PolarHBondContact O-N 2.82Å |
| 160 | K | 88 | Confident | 90.1 | Very high | 159 Ų | 159 | 54.7 Ų | 54.7 | 69% | 0.691 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | 179.2 | -65.1 | -178.6 | 179.1 | 179.8 | 0 | 112.8 | E158 S164 | E158-K160 PolarHBondContact O-N 3.44Å; E158-K160 VanDerWaalsContact O-N 3.12Å; K160-S164 WeakPolarHBondContact O-CB 3.07Å; K160-S164 PolarHBondContact O-N 3.3Å |
| 161 | I | 87.3 | Confident | 90 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.8 | -45.2 | 180 | -58.7 | 178.5 | 0 | 0 | 0 | 109.1 | E158 T159 E163 S164 A165 V216 T219 L220 | E158-I161 HydrophobicContact CB-CD1 4.18Å; E158-I161 HydrophobicContact CB-CG1 4.24Å; E158-I161 WeakPolarHBondContact O-CB 3.45Å; E158-I161 PolarHBondContact O-N 3.3Å; T159-I161 VanDerWaalsContact C-N 3.3Å; T159-I161 PolarHBondContact O-N 2.8Å; I161-E163 PolarHBondContact O-N 3.31Å; I161-S164 PolarHBondContact O-N 2.88Å; I161-S164 PolarHBondContact O-OG 3.35Å; I161-A165 WeakPolarHBondContact O-CB 3.5Å; I161-A165 PolarHBondContact O-N 2.96Å; I161-A165 VanDerWaalsContact O-N 3.15Å; I161-V216 HydrophobicContact CG2-CB 4.31Å; I161-V216 HydrophobicContact CG2-CG1 3.84Å; I161-V216 HydrophobicContact CG2-CG2 4.26Å; I161-T219 HydrophobicContact CG1-CG2 4.16Å; I161-T219 HydrophobicContact CG2-CG2 4.1Å; I161-L220 HydrophobicContact CD1-CD2 3.55Å; I161-L220 HydrophobicContact CD1-CG 4.29Å |
| 162 | A | 85 | Confident | 89.9 | Confident | 18 Ų | 18 | 47 Ų | 47 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -45 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E158 T159 S164 A165 | E158-A162 PolarHBondContact O-N 3.41Å; T159-A162 PolarHBondContact O-N 2.87Å; A162-S164 VanDerWaalsContact C-N 3.28Å; A162-S164 PolarHBondContact O-N 3.29Å; A162-A165 PolarHBondContact O-N 3.3Å; A162-A165 VanDerWaalsContact O-N 3.1Å |
| 163 | E | 85.2 | Confident | 89.7 | Confident | 139 Ų | 139 | 50 Ų | 50 | 65% | 0.65 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.5 | -30.1 | 177.2 | -73.5 | 173.6 | 177.1 | 0 | 0 | 112.9 | T159 I161 A165 | T159-E163 HydrophobicContact CG2-CG 4.28Å; T159-E163 WeakPolarHBondContact CG2-OE1 3.18Å; T159-E163 WeakPolarHBondContact O-CB 3.42Å; T159-E163 VanDerWaalsContact O-CG 3.31Å; T159-E163 WeakPolarHBondContact O-CG 3.35Å; T159-E163 PolarHBondContact O-N 2.82Å; I161-E163 PolarHBondContact O-N 3.31Å; E163-A165 VanDerWaalsContact C-N 3.3Å |
| 164 | S | 80.1 | Confident | 89.1 | Confident | 56 Ų | 56 | 49 Ų | 49 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.1 | -21.3 | 174.6 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | K160 I161 A162 V166 | K160-S164 WeakPolarHBondContact O-CB 3.07Å; K160-S164 PolarHBondContact O-N 3.3Å; I161-S164 PolarHBondContact O-N 2.88Å; I161-S164 PolarHBondContact O-OG 3.35Å; A162-S164 VanDerWaalsContact C-N 3.28Å; A162-S164 PolarHBondContact O-N 3.29Å; S164-V166 PolarHBondContact O-N 3.46Å |
| 165 | A | 87.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -99 | 62.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T78 I161 A162 E163 V216 | T78-A165 HydrophobicContact CG2-CB 3.84Å; I161-A165 WeakPolarHBondContact O-CB 3.5Å; I161-A165 PolarHBondContact O-N 2.96Å; I161-A165 VanDerWaalsContact O-N 3.15Å; A162-A165 PolarHBondContact O-N 3.3Å; A162-A165 VanDerWaalsContact O-N 3.1Å; E163-A165 VanDerWaalsContact C-N 3.3Å; A165-V216 HydrophobicContact CB-CG2 3.43Å; A165-V216 VanDerWaalsContact CB-CG2 3.43Å | ||
| 166 | V | 90.8 | Very high | 88.3 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 24% | 0.242 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.5 | 177.6 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | W75 Y77 S164 | W75-V166 HydrophobicContact CE3-CG1 3.73Å; W75-V166 HydrophobicContact CZ3-CG1 3.93Å; Y77-V166 HydrophobicContact CD1-CB 4.45Å; Y77-V166 HydrophobicContact CD1-CG1 4.13Å; Y77-V166 HydrophobicContact CD1-CG2 3.57Å; Y77-V166 HydrophobicContact CE1-CB 4.33Å; Y77-V166 HydrophobicContact CE1-CG1 3.72Å; Y77-V166 HydrophobicContact CE1-CG2 3.57Å; S164-V166 PolarHBondContact O-N 3.46Å |
| 167 | D | 91.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.3 | 172.5 | -88.9 | -52.4 | 0 | 0 | 0 | 110.3 | S56 R58 A76 S211 V212 | S56-D167 PolarHBondContact OG-OD1 2.92Å; R58-D167 IonicContact CZ-OD1 2.75Å; R58-D167 IonicContact NH2-OD1 3.15Å; R58-D167 PolarHBondContact NH2-OD1 3.09Å; R58-D167 IonicContact NH2-OD2 2.77Å; A76-D167 PolarHBondContact N-O 2.7Å; A76-D167 PolarHBondContact O-N 3.41Å; D167-S211 VanDerWaalsContact OD2-CB 3.27Å; D167-S211 WeakPolarHBondContact OD2-CB 3.3Å; D167-S211 PolarHBondContact OD2-OG 3.49Å; D167-V212 HydrophobicContact CB-CG1 3.76Å |
| 168 | N | 91.8 | Very high | 87.5 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 158.6 | 177.5 | 68.2 | -46.5 | 0 | 0 | 0 | 111.8 | R58 I74 W75 | R58-N168 PolarHBondContact NH1-O 3.44Å; I74-N168 CarbonylContact O-C 3.5Å; I74-N168 VanDerWaalsContact O-CA 3.24Å; I74-N168 WeakPolarHBondContact O-CA 3.38Å; W75-N168 HydrophobicContact CD2-CB 4.18Å; W75-N168 HydrophobicContact CE3-CB 4.12Å; W75-N168 HydrophobicContact CH2-CB 4.45Å; W75-N168 HydrophobicContact CZ2-CB 4.5Å; W75-N168 HydrophobicContact CZ3-CB 4.25Å |
| 169 | L | 91.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 143 | 174.4 | 180 | 67.9 | 0 | 0 | 0 | 108.7 | I74 F181 E184 L186 V204 M208 L290 F291 | I74-L169 HydrophobicContact CB-CB 4.25Å; I74-L169 HydrophobicContact CD1-CB 4.21Å; I74-L169 HydrophobicContact CD1-CD2 3.83Å; I74-L169 HydrophobicContact CD1-CG 4.11Å; I74-L169 PolarHBondContact N-O 3.33Å; I74-L169 PolarHBondContact O-N 2.79Å; L169-F181 HydrophobicContact CD1-CE1 4.27Å; L169-F181 HydrophobicContact CD2-CE1 3.81Å; L169-F181 HydrophobicContact CD2-CZ 4.23Å; L169-E184 WeakPolarHBondContact CD1-O 3.3Å; L169-L186 HydrophobicContact CD2-CB 4.33Å; L169-V204 HydrophobicContact CD2-CG1 3.57Å; L169-M208 HydrophobicContact CB-CE 3.98Å; L169-M208 HydrophobicContact CB-SD 4.07Å; L169-M208 HydrophobicContact CD2-SD 4.29Å; L169-L290 HydrophobicContact CD1-CD2 3.98Å; L169-F291 HydrophobicContact CD2-CZ 4.34Å |
| 170 | S | 90.2 | Very high | 87.6 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 147 | 174.1 | 66.1 | 0 | 0 | 0 | 0 | 110.4 | L185 L186 | S170-L185 WeakPolarHBondContact OG-CD1 3.37Å; S170-L186 PolarHBondContact O-N 2.92Å; S170-L186 VanDerWaalsContact O-N 3.09Å |
| 171 | Y | 91.2 | Very high | 87.7 | Confident | 13 Ų | 13 | 51 Ų | 51 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 160.3 | 172.6 | 78.6 | -82.2 | 0 | 0 | 0 | 112.1 | P72 I74 W135 D136 L186 L188 | P72-Y171 HydrophobicContact CB-CD1 4.1Å; P72-Y171 HydrophobicContact CB-CE1 3.44Å; P72-Y171 VanDerWaalsContact CB-CE1 3.44Å; P72-Y171 HydrophobicContact CB-CE2 4.24Å; P72-Y171 VanDerWaalsContact CD-O 3.22Å; P72-Y171 WeakPolarHBondContact CD-O 3.25Å; P72-Y171 HydrophobicContact CG-CD1 3.91Å; P72-Y171 HydrophobicContact CG-CD2 3.99Å; P72-Y171 HydrophobicContact CG-CE1 3.6Å; P72-Y171 HydrophobicContact CG-CE2 3.63Å; P72-Y171 HydrophobicContact CG-CG 4.12Å; P72-Y171 VanDerWaalsContact CG-CZ 3.43Å; P72-Y171 VanDerWaalsContact CG-O 3.32Å; P72-Y171 WeakPolarHBondContact CG-O 3.5Å; P72-Y171 WeakPolarHBondContact O-CD1 3.48Å; P72-Y171 PolarHBondContact O-N 2.88Å; P72-Y171 VanDerWaalsContact O-N 3.12Å; I74-Y171 HydrophobicContact CD1-CD1 3.93Å; I74-Y171 HydrophobicContact CD1-CG 4.39Å; I74-Y171 HydrophobicContact CG1-CD1 3.65Å; I74-Y171 HydrophobicContact CG1-CE1 4.13Å; W135-Y171 HydrophobicContact CE3-CD1 4.13Å; W135-Y171 AromaticContact CE3-CE1 3.89Å; W135-Y171 HydrophobicContact CE3-CE1 3.89Å; W135-Y171 HydrophobicContact CZ3-CD1 4.15Å; W135-Y171 HydrophobicContact CZ3-CD2 4.5Å; W135-Y171 HydrophobicContact CZ3-CE1 4.33Å; W135-Y171 HydrophobicContact CZ3-CG 4.2Å; D136-Y171 HydrophobicContact CB-CE1 4.48Å; D136-Y171 WeakPolarHBondContact CB-OH 3.45Å; Y171-L186 CarbonylContact C-O 3.55Å; Y171-L186 WeakPolarHBondContact CA-O 3.47Å; Y171-L186 WeakPolarHBondContact CB-O 3.37Å; Y171-L188 HydrophobicContact CD2-CB 4.15Å; Y171-L188 HydrophobicContact CD2-CD2 4.12Å; Y171-L188 HydrophobicContact CE2-CD2 4.11Å |
| 172 | I | 90.2 | Very high | 87.6 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.195 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.1 | 170.3 | -63.8 | 173.3 | 0 | 0 | 0 | 107.3 | V66 I69 K71 N174 L185 L186 L187 L188 | V66-I172 HydrophobicContact CG1-CD1 3.87Å; I69-I172 HydrophobicContact CD1-CD1 4.5Å; K71-I172 HydrophobicContact CD-CD1 4.11Å; K71-I172 HydrophobicContact CD-CG1 4.32Å; K71-I172 HydrophobicContact CG-CD1 4.04Å; K71-I172 HydrophobicContact CG-CG1 4.05Å; I172-N174 PolarHBondContact O-N 2.91Å; I172-L185 HydrophobicContact CD1-CD1 4.23Å; I172-L185 HydrophobicContact CD1-CD2 3.9Å; I172-L185 HydrophobicContact CG1-CD1 4.07Å; I172-L185 HydrophobicContact CG1-CD2 4.45Å; I172-L186 PolarHBondContact N-O 3.33Å; I172-L187 WeakPolarHBondContact O-CA 3.32Å; I172-L188 PolarHBondContact O-N 3.01Å |
| 173 | D | 88.7 | Confident | 87.5 | Confident | 77 Ų | 77 | 59.4 Ų | 59.4 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.5 | 171.9 | -70.4 | -22.2 | 0 | 0 | 0 | 110.7 | R197 | D173-R197 IonicContact OD1-CZ 3.79Å; D173-R197 IonicContact OD1-NH2 2.68Å; D173-R197 PolarHBondContact OD1-NH2 3.47Å; D173-R197 IonicContact OD2-NH2 3.14Å; D173-R197 PolarHBondContact OD2-NH2 3.05Å; D173-R197 VanDerWaalsContact OD2-NH2 3.14Å |
| 174 | N | 82.5 | Confident | 87.5 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | trans | -79.5 | 150.9 | 178.9 | -158.1 | -3.6 | 0 | 0 | 0 | 110.2 | I172 M176 R178 L187 L188 P190 | I172-N174 PolarHBondContact O-N 2.91Å; N174-M176 VanDerWaalsContact C-N 3.33Å; N174-M176 PolarHBondContact OD1-N 3Å; N174-R178 PolarHBondContact ND2-O 3.47Å; N174-R178 VanDerWaalsContact ND2-O 3.07Å; N174-L187 HydrophobicContact CB-CB 3.9Å; N174-L188 WeakPolarHBondContact CA-O 3.47Å; N174-L188 WeakPolarHBondContact CB-O 3.36Å; N174-L188 PolarHBondContact N-O 3.41Å; N174-P190 WeakPolarHBondContact O-CD 3.32Å | ||
| 175 | A | 83.1 | Confident | 87.9 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 80% | 0.802 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -78.7 | -22.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 176 | M | 83.6 | Confident | 88.1 | Confident | 114 Ų | 114 | 52.9 Ų | 52.9 | 56% | 0.562 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -84.7 | 151.5 | -177 | -60.9 | -64.1 | -74.5 | 0 | 0 | 111.8 | N174 R178 P190 | N174-M176 VanDerWaalsContact C-N 3.33Å; N174-M176 PolarHBondContact OD1-N 3Å; M176-R178 PolarHBondContact O-N 3.35Å; M176-P190 WeakPolarHBondContact O-CD 3.3Å |
| 177 | P | 82.6 | Confident | 88.2 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -71.8 | 6.5 | -179.6 | 31.6 | -37.7 | 0 | 0 | 0 | 114.1 | R189 | P177-R189 WeakPolarHBondContact O-CD 3.49Å; P177-R189 WeakPolarHBondContact O-CG 3.26Å; P177-R189 PolarHBondContact O-NE 3.43Å |
| 178 | R | 87.5 | Confident | 88.2 | Confident | 152 Ų | 152 | 52.2 Ų | 52.2 | 57% | 0.574 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -127 | 140.1 | -176.8 | -73 | -178.9 | 168.9 | 168.3 | -2.7 | 110.9 | N174 M176 E279 | N174-R178 PolarHBondContact ND2-O 3.47Å; N174-R178 VanDerWaalsContact ND2-O 3.07Å; M176-R178 PolarHBondContact O-N 3.35Å; R178-E279 IonicContact CZ-OE1 3.15Å; R178-E279 IonicContact NE-OE1 3.13Å; R178-E279 PolarHBondContact NE-OE1 2.94Å; R178-E279 IonicContact NH2-OE1 2.63Å; R178-E279 PolarHBondContact NH2-OE1 3.48Å |
| 179 | S | 91.4 | Very high | 88.2 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | trans | -81.1 | 134.3 | 172.3 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | L187 R189 D200 | S179-L187 CarbonylContact C-O 3.58Å; S179-L187 WeakPolarHBondContact CA-O 3.35Å; S179-R189 PolarHBondContact OG-N 3.2Å; S179-D200 VanDerWaalsContact CB-OD2 3.27Å; S179-D200 WeakPolarHBondContact CB-OD2 3.45Å; S179-D200 PolarHBondContact OG-OD2 3.19Å | ||
| 180 | E | 90.8 | Very high | 88 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 152.3 | -178.8 | 60.5 | -179.7 | 179.2 | 0 | 0 | 111.3 | R182 L187 | E180-R182 IonicContact OE1-CZ 3.77Å; E180-R182 IonicContact OE1-NH1 3.41Å; E180-R182 PolarHBondContact OE1-NH1 3.01Å; E180-R182 IonicContact OE1-NH2 3.48Å; E180-R182 PolarHBondContact OE1-NH2 3.46Å; E180-R182 IonicContact OE2-CZ 2.72Å; E180-R182 IonicContact OE2-NH1 3.96Å; E180-R182 PolarHBondContact OE2-NH1 3.28Å; E180-R182 IonicContact OE2-NH2 2.84Å; E180-L187 HydrophobicContact CG-CB 4.03Å; E180-L187 HydrophobicContact CG-CD1 4.06Å; E180-L187 HydrophobicContact CG-CG 4.49Å; E180-L187 PolarHBondContact N-O 2.92Å; E180-L187 WeakPolarHBondContact O-CB 3.33Å; E180-L187 PolarHBondContact O-N 3.15Å |
| 181 | F | 89.7 | Confident | 87.5 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.3 | 172.1 | -75.5 | -87.2 | 0 | 0 | 0 | 110.6 | L169 L185 L186 V204 L283 V286 A287 L290 | L169-F181 HydrophobicContact CD1-CE1 4.27Å; L169-F181 HydrophobicContact CD2-CE1 3.81Å; L169-F181 HydrophobicContact CD2-CZ 4.23Å; F181-L185 WeakPolarHBondContact CA-O 3.39Å; F181-L186 HydrophobicContact CD1-CB 4.28Å; F181-L186 HydrophobicContact CD1-CD1 4.41Å; F181-L186 HydrophobicContact CD2-CD1 4.35Å; F181-L186 HydrophobicContact CE1-CB 3.94Å; F181-L186 HydrophobicContact CE1-CD1 4.1Å; F181-L186 HydrophobicContact CE2-CD1 4.02Å; F181-L186 HydrophobicContact CZ-CB 4.46Å; F181-L186 HydrophobicContact CZ-CD1 3.89Å; F181-V204 HydrophobicContact CE2-CG2 4.08Å; F181-V204 HydrophobicContact CZ-CG1 4.18Å; F181-V204 HydrophobicContact CZ-CG2 3.81Å; F181-L283 HydrophobicContact CD2-CD1 3.77Å; F181-L283 HydrophobicContact CE2-CD1 3.58Å; F181-L283 HydrophobicContact CE2-CG 4.26Å; F181-V286 HydrophobicContact CB-CG1 3.67Å; F181-V286 HydrophobicContact CD2-CB 4.04Å; F181-V286 HydrophobicContact CD2-CG1 3.64Å; F181-V286 HydrophobicContact CG-CG1 3.89Å; F181-A287 HydrophobicContact CE2-CB 3.74Å; F181-A287 HydrophobicContact CZ-CB 3.76Å; F181-L290 HydrophobicContact CD1-CD2 3.83Å; F181-L290 HydrophobicContact CE1-CD2 3.72Å |
| 182 | R | 85.4 | Confident | 86.9 | Confident | 123 Ų | 123 | 56.5 Ų | 56.5 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 99.7 | 164.4 | -72.2 | -71.2 | -164 | -81.5 | -17.1 | 107.8 | E180 E184 L185 L187 | E180-R182 IonicContact OE1-CZ 3.77Å; E180-R182 IonicContact OE1-NH1 3.41Å; E180-R182 PolarHBondContact OE1-NH1 3.01Å; E180-R182 IonicContact OE1-NH2 3.48Å; E180-R182 PolarHBondContact OE1-NH2 3.46Å; E180-R182 IonicContact OE2-CZ 2.72Å; E180-R182 IonicContact OE2-NH1 3.96Å; E180-R182 PolarHBondContact OE2-NH1 3.28Å; E180-R182 IonicContact OE2-NH2 2.84Å; R182-E184 PolarHBondContact O-N 3.25Å; R182-E184 VanDerWaalsContact O-N 3.09Å; R182-L185 PolarHBondContact N-O 3.49Å; R182-L185 WeakPolarHBondContact O-CB 3.34Å; R182-L185 PolarHBondContact O-N 2.94Å; R182-L187 HydrophobicContact CG-CD1 3.55Å; R182-L187 HydrophobicContact CG-CG 4.12Å |
| 183 | C | 83 | Confident | 86.5 | Confident | 75 Ų | 75 | 57 Ų | 57 | 51% | 0.507 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -114.2 | -171.6 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | L290 | C183-L290 WeakPolarHBondContact O-CD1 3.41Š|
| 184 | E | 84.6 | Confident | 86.4 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 20% | 0.201 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 7.9 | -179.2 | -54.2 | -171.8 | 127.6 | 0 | 0 | 113.6 | S60 Y61 L169 R182 L290 | S60-E184 VanDerWaalsContact CA-OE2 3.25Å; S60-E184 WeakPolarHBondContact CA-OE2 3.45Å; Y61-E184 PolarHBondContact N-OE2 3.36Å; L169-E184 WeakPolarHBondContact CD1-O 3.3Å; R182-E184 PolarHBondContact O-N 3.25Å; R182-E184 VanDerWaalsContact O-N 3.09Å; E184-L290 HydrophobicContact CG-CD1 4.18Å |
| 185 | L | 88.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.5 | 179.2 | -177.8 | 65 | 0 | 0 | 0 | 110.4 | V66 K71 S170 I172 F181 R182 L187 | V66-L185 HydrophobicContact CG1-CD2 4.1Å; K71-L185 HydrophobicContact CD-CD1 3.88Å; S170-L185 WeakPolarHBondContact OG-CD1 3.37Å; I172-L185 HydrophobicContact CD1-CD1 4.23Å; I172-L185 HydrophobicContact CD1-CD2 3.9Å; I172-L185 HydrophobicContact CG1-CD1 4.07Å; I172-L185 HydrophobicContact CG1-CD2 4.45Å; F181-L185 WeakPolarHBondContact CA-O 3.39Å; R182-L185 PolarHBondContact N-O 3.49Å; R182-L185 WeakPolarHBondContact O-CB 3.34Å; R182-L185 PolarHBondContact O-N 2.94Å; L185-L187 HydrophobicContact CD2-CD2 3.9Å; L185-L187 HydrophobicContact CG-CD2 4.2Å |
| 186 | L | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.5 | 168.1 | 175.4 | 66 | 0 | 0 | 0 | 109.7 | I74 W135 L169 S170 Y171 I172 F181 V204 L283 | I74-L186 HydrophobicContact CD1-CD2 4.06Å; W135-L186 HydrophobicContact CH2-CD2 3.54Å; W135-L186 HydrophobicContact CZ3-CD2 3.89Å; L169-L186 HydrophobicContact CD2-CB 4.33Å; S170-L186 PolarHBondContact O-N 2.92Å; S170-L186 VanDerWaalsContact O-N 3.09Å; Y171-L186 CarbonylContact C-O 3.55Å; Y171-L186 WeakPolarHBondContact CA-O 3.47Å; Y171-L186 WeakPolarHBondContact CB-O 3.37Å; I172-L186 PolarHBondContact N-O 3.33Å; F181-L186 HydrophobicContact CD1-CB 4.28Å; F181-L186 HydrophobicContact CD1-CD1 4.41Å; F181-L186 HydrophobicContact CD2-CD1 4.35Å; F181-L186 HydrophobicContact CE1-CB 3.94Å; F181-L186 HydrophobicContact CE1-CD1 4.1Å; F181-L186 HydrophobicContact CE2-CD1 4.02Å; F181-L186 HydrophobicContact CZ-CB 4.46Å; F181-L186 HydrophobicContact CZ-CD1 3.89Å; L186-V204 HydrophobicContact CD1-CG2 4.18Å; L186-V204 HydrophobicContact CD2-CG1 4.32Å; L186-V204 HydrophobicContact CD2-CG2 4.02Å; L186-L283 HydrophobicContact CD1-CD1 4.11Å |
| 187 | L | 91.9 | Very high | 87.2 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 102.4 | 165.4 | -58.6 | -176 | 0 | 0 | 0 | 107.5 | I172 N174 S179 E180 R182 L185 | I172-L187 WeakPolarHBondContact O-CA 3.32Å; N174-L187 HydrophobicContact CB-CB 3.9Å; S179-L187 CarbonylContact C-O 3.58Å; S179-L187 WeakPolarHBondContact CA-O 3.35Å; E180-L187 HydrophobicContact CG-CB 4.03Å; E180-L187 HydrophobicContact CG-CD1 4.06Å; E180-L187 HydrophobicContact CG-CG 4.49Å; E180-L187 PolarHBondContact N-O 2.92Å; E180-L187 WeakPolarHBondContact O-CB 3.33Å; E180-L187 PolarHBondContact O-N 3.15Å; R182-L187 HydrophobicContact CG-CD1 3.55Å; R182-L187 HydrophobicContact CG-CG 4.12Å; L185-L187 HydrophobicContact CD2-CD2 3.9Å; L185-L187 HydrophobicContact CG-CD2 4.2Å |
| 188 | L | 91.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 141.8 | -176.5 | -175.7 | 66.6 | 0 | 0 | 0 | 110.6 | W135 Y171 I172 N174 R197 D200 K201 | W135-L188 HydrophobicContact CZ3-CD2 4.26Å; Y171-L188 HydrophobicContact CD2-CB 4.15Å; Y171-L188 HydrophobicContact CD2-CD2 4.12Å; Y171-L188 HydrophobicContact CE2-CD2 4.11Å; I172-L188 PolarHBondContact O-N 3.01Å; N174-L188 WeakPolarHBondContact CA-O 3.47Å; N174-L188 WeakPolarHBondContact CB-O 3.36Å; N174-L188 PolarHBondContact N-O 3.41Å; L188-R197 HydrophobicContact CD1-CG 4.23Å; L188-R197 HydrophobicContact CD2-CG 4.01Å; L188-R197 HydrophobicContact CG-CG 4.09Å; L188-D200 HydrophobicContact CD1-CB 4.06Å; L188-K201 HydrophobicContact CD1-CG 4.29Å; L188-K201 HydrophobicContact CD2-CG 4.21Å |
| 189 | R | 91.8 | Very high | 87.9 | Confident | 23 Ų | 23 | 47 Ų | 47 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 143 | 172.6 | -170.3 | -178.3 | -55.5 | -143.1 | -8.3 | 112.7 | P177 S179 T193 E196 R197 D200 E279 | P177-R189 WeakPolarHBondContact O-CD 3.49Å; P177-R189 WeakPolarHBondContact O-CG 3.26Å; P177-R189 PolarHBondContact O-NE 3.43Å; S179-R189 PolarHBondContact OG-N 3.2Å; R189-T193 WeakPolarHBondContact CD-OG1 3.42Å; R189-T193 WeakPolarHBondContact CG-OG1 3.46Å; R189-E196 VanDerWaalsContact NH1-CB 3.29Å; R189-R197 PolarHBondContact O-NE 3.01Å; R189-R197 VanDerWaalsContact O-NE 3.16Å; R189-D200 IonicContact CZ-OD2 3.02Å; R189-D200 IonicContact NE-OD2 3.01Å; R189-D200 PolarHBondContact NE-OD2 3.38Å; R189-D200 IonicContact NH2-OD2 3.02Å; R189-E279 IonicContact NH2-OE2 3.3Å; R189-E279 PolarHBondContact NH2-OE2 2.8Å; R189-E279 VanDerWaalsContact NH2-OE2 3.15Å |
| 190 | P | 87.1 | Confident | 88 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -65 | 157.1 | -176.3 | 24.6 | -34.9 | 0 | 0 | 0 | 113.9 | N174 M176 G192 | N174-P190 WeakPolarHBondContact O-CD 3.32Å; M176-P190 WeakPolarHBondContact O-CD 3.3Å; P190-G192 PolarHBondContact O-N 3.17Å |
| 191 | P | 80.9 | Confident | 88.2 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 116 | 171.8 | 25.3 | -33 | 0 | 0 | 0 | 109.8 | ||
| 192 | G | 78 | Confident | 88.5 | Confident | 68 Ų | 68 | 43 Ų | 43 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 153.5 | -18.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P190 | P190-G192 PolarHBondContact O-N 3.17Š|
| 193 | T | 82.3 | Confident | 88.9 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | trans | -125.6 | 65.2 | 174.6 | 36.4 | 0 | 0 | 0 | 0 | 108.5 | R189 V195 E196 R197 | R189-T193 WeakPolarHBondContact CD-OG1 3.42Å; R189-T193 WeakPolarHBondContact CG-OG1 3.46Å; T193-V195 VanDerWaalsContact C-N 3.29Å; T193-V195 PolarHBondContact O-N 3.4Å; T193-E196 WeakPolarHBondContact CB-OE2 3.5Å; T193-E196 PolarHBondContact O-N 3.15Å; T193-R197 WeakPolarHBondContact O-CB 3.43Å; T193-R197 PolarHBondContact O-N 3.33Å | ||
| 194 | E | 85.3 | Confident | 89.4 | Confident | 94 Ų | 94 | 33.6 Ų | 33.6 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.5 | -37.6 | -168.7 | -72 | -57.8 | 131.3 | 0 | 0 | 113.2 | R197 S198 | E194-R197 IonicContact OE1-NH1 3.99Å; E194-S198 VanDerWaalsContact O-CB 3.31Å; E194-S198 WeakPolarHBondContact O-CB 3.35Å; E194-S198 PolarHBondContact O-N 3.28Å; E194-S198 PolarHBondContact O-OG 3.33Å |
| 195 | V | 87.4 | Confident | 89.9 | Confident | 99 Ų | 99 | 31.6 Ų | 31.6 | 60% | 0.6 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -66.5 | -53.3 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | T193 R197 S198 L199 | T193-V195 VanDerWaalsContact C-N 3.29Å; T193-V195 PolarHBondContact O-N 3.4Å; V195-R197 VanDerWaalsContact C-N 3.35Å; V195-R197 PolarHBondContact O-N 3.19Å; V195-S198 PolarHBondContact O-N 2.96Å; V195-L199 WeakPolarHBondContact O-CG 3.34Å; V195-L199 PolarHBondContact O-N 3.35Å; V195-L199 VanDerWaalsContact O-N 3.1Å |
| 196 | E | 89.3 | Confident | 90.2 | Very high | 83 Ų | 83 | 31 Ų | 31 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 179.6 | -61.4 | 80.8 | -177.1 | 0 | 0 | 111.6 | R189 T193 S198 L199 D200 | R189-E196 VanDerWaalsContact NH1-CB 3.29Å; T193-E196 WeakPolarHBondContact CB-OE2 3.5Å; T193-E196 PolarHBondContact O-N 3.15Å; E196-S198 VanDerWaalsContact C-N 3.3Å; E196-S198 PolarHBondContact O-N 2.98Å; E196-L199 PolarHBondContact O-N 3.17Å; E196-D200 PolarHBondContact O-N 2.92Å |
| 197 | R | 90.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 31 Ų | 31 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.2 | -170.2 | 178.9 | -168.3 | -160.6 | 3.8 | 111.5 | D173 L188 R189 T193 E194 V195 L199 D200 K201 | D173-R197 IonicContact OD1-CZ 3.79Å; D173-R197 IonicContact OD1-NH2 2.68Å; D173-R197 PolarHBondContact OD1-NH2 3.47Å; D173-R197 IonicContact OD2-NH2 3.14Å; D173-R197 PolarHBondContact OD2-NH2 3.05Å; D173-R197 VanDerWaalsContact OD2-NH2 3.14Å; L188-R197 HydrophobicContact CD1-CG 4.23Å; L188-R197 HydrophobicContact CD2-CG 4.01Å; L188-R197 HydrophobicContact CG-CG 4.09Å; R189-R197 PolarHBondContact O-NE 3.01Å; R189-R197 VanDerWaalsContact O-NE 3.16Å; T193-R197 WeakPolarHBondContact O-CB 3.43Å; T193-R197 PolarHBondContact O-N 3.33Å; E194-R197 IonicContact OE1-NH1 3.99Å; V195-R197 VanDerWaalsContact C-N 3.35Å; V195-R197 PolarHBondContact O-N 3.19Å; R197-L199 VanDerWaalsContact C-N 3.34Å; R197-D200 PolarHBondContact O-N 3.31Å; R197-K201 WeakPolarHBondContact O-CG 3.25Å; R197-K201 PolarHBondContact O-N 2.96Å |
| 198 | S | 91.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -37.4 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 112 | R112 E194 V195 E196 Y202 | R112-S198 PolarHBondContact NH1-OG 3.34Å; R112-S198 PolarHBondContact NH2-OG 3.01Å; R112-S198 VanDerWaalsContact NH2-OG 3.09Å; E194-S198 VanDerWaalsContact O-CB 3.31Å; E194-S198 WeakPolarHBondContact O-CB 3.35Å; E194-S198 PolarHBondContact O-N 3.28Å; E194-S198 PolarHBondContact O-OG 3.33Å; V195-S198 PolarHBondContact O-N 2.96Å; E196-S198 VanDerWaalsContact C-N 3.3Å; E196-S198 PolarHBondContact O-N 2.98Å; S198-Y202 WeakPolarHBondContact O-CB 3.21Å; S198-Y202 PolarHBondContact O-N 2.96Å |
| 199 | L | 92.9 | Very high | 90.3 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.5 | -42.9 | 174.7 | -67.3 | 177.7 | 0 | 0 | 0 | 111.8 | L103 V195 E196 R197 K201 Y202 A203 F273 L280 | L103-L199 HydrophobicContact CD1-CD2 4.26Å; V195-L199 WeakPolarHBondContact O-CG 3.34Å; V195-L199 PolarHBondContact O-N 3.35Å; V195-L199 VanDerWaalsContact O-N 3.1Å; E196-L199 PolarHBondContact O-N 3.17Å; R197-L199 VanDerWaalsContact C-N 3.34Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.77Å; L199-Y202 WeakPolarHBondContact O-CA 3.46Å; L199-Y202 WeakPolarHBondContact O-CB 3.46Å; L199-Y202 PolarHBondContact O-N 3.38Å; L199-Y202 VanDerWaalsContact O-N 3.12Å; L199-A203 PolarHBondContact O-N 2.93Å; L199-F273 HydrophobicContact CD2-CZ 4.01Å; L199-L280 HydrophobicContact CB-CD1 4.36Å; L199-L280 HydrophobicContact CB-CD2 4.3Å; L199-L280 WeakPolarHBondContact O-CD1 3.27Å |
| 200 | D | 93.9 | Very high | 90.2 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 174.6 | -73.1 | -14.3 | 0 | 0 | 0 | 110.7 | S179 L188 R189 E196 R197 Y202 A203 V204 L283 | S179-D200 VanDerWaalsContact CB-OD2 3.27Å; S179-D200 WeakPolarHBondContact CB-OD2 3.45Å; S179-D200 PolarHBondContact OG-OD2 3.19Å; L188-D200 HydrophobicContact CD1-CB 4.06Å; R189-D200 IonicContact CZ-OD2 3.02Å; R189-D200 IonicContact NE-OD2 3.01Å; R189-D200 PolarHBondContact NE-OD2 3.38Å; R189-D200 IonicContact NH2-OD2 3.02Å; E196-D200 PolarHBondContact O-N 2.92Å; R197-D200 PolarHBondContact O-N 3.31Å; D200-Y202 VanDerWaalsContact C-N 3.35Å; D200-Y202 PolarHBondContact O-N 3.44Å; D200-A203 PolarHBondContact O-N 3.08Å; D200-V204 PolarHBondContact O-N 3.16Å; D200-L283 HydrophobicContact CB-CD2 3.75Å |
| 201 | K | 94.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 172.6 | -71.5 | -176.4 | -175.3 | -178.4 | 0 | 111.6 | E123 F125 W135 L188 R197 L199 V204 S205 | E123-K201 IonicContact OE1-NZ 3.94Å; E123-K201 PolarHBondContact OE1-NZ 2.97Å; E123-K201 IonicContact OE2-NZ 2.8Å; E123-K201 PolarHBondContact OE2-NZ 3.15Å; F125-K201 HydrophobicContact CE2-CB 3.82Å; F125-K201 HydrophobicContact CE2-CD 4.4Å; F125-K201 HydrophobicContact CZ-CB 3.81Å; W135-K201 HydrophobicContact CD2-CB 4.29Å; W135-K201 HydrophobicContact CD2-CD 4.01Å; W135-K201 HydrophobicContact CD2-CG 3.98Å; W135-K201 HydrophobicContact CE3-CD 4.02Å; W135-K201 HydrophobicContact CE3-CG 3.84Å; W135-K201 HydrophobicContact CG-CD 4.43Å; W135-K201 HydrophobicContact CH2-CB 3.98Å; W135-K201 HydrophobicContact CH2-CG 3.76Å; W135-K201 VanDerWaalsContact CZ2-CA 3.48Å; W135-K201 HydrophobicContact CZ2-CB 3.68Å; W135-K201 HydrophobicContact CZ2-CG 3.91Å; W135-K201 VanDerWaalsContact CZ2-O 3.29Å; W135-K201 WeakPolarHBondContact CZ2-O 2.95Å; W135-K201 HydrophobicContact CZ3-CB 4.42Å; W135-K201 HydrophobicContact CZ3-CD 4.4Å; W135-K201 HydrophobicContact CZ3-CG 3.72Å; L188-K201 HydrophobicContact CD1-CG 4.29Å; L188-K201 HydrophobicContact CD2-CG 4.21Å; R197-K201 WeakPolarHBondContact O-CG 3.25Å; R197-K201 PolarHBondContact O-N 2.96Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 2.77Å; K201-V204 PolarHBondContact O-N 3.07Å; K201-S205 VanDerWaalsContact O-CB 3.29Å; K201-S205 WeakPolarHBondContact O-CB 3.11Å; K201-S205 PolarHBondContact O-N 3.13Å; K201-S205 PolarHBondContact O-OG 2.85Å |
| 202 | Y | 94.4 | Very high | 91 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 177 | 165.3 | -100.2 | 0 | 0 | 0 | 112 | L103 L107 V110 F127 S198 L199 D200 V204 S205 N206 F273 | L103-Y202 HydrophobicContact CD2-CD2 3.76Å; L103-Y202 HydrophobicContact CD2-CE2 4.48Å; L103-Y202 HydrophobicContact CD2-CG 3.96Å; L107-Y202 HydrophobicContact CD1-CD1 3.97Å; L107-Y202 HydrophobicContact CD1-CD2 4.27Å; L107-Y202 HydrophobicContact CD1-CE1 3.7Å; L107-Y202 HydrophobicContact CD1-CE2 4.03Å; L107-Y202 HydrophobicContact CD1-CG 4.24Å; L107-Y202 HydrophobicContact CD2-CE1 4.12Å; L107-Y202 WeakPolarHBondContact CD2-OH 3.05Å; V110-Y202 HydrophobicContact CB-CE2 4.11Å; V110-Y202 HydrophobicContact CG1-CD2 4.15Å; V110-Y202 HydrophobicContact CG1-CE2 3.63Å; V110-Y202 HydrophobicContact CG2-CD2 4.15Å; V110-Y202 HydrophobicContact CG2-CE2 4.13Å; F127-Y202 HydrophobicContact CE1-CD2 4.2Å; F127-Y202 AromaticContact CE1-CE2 3.69Å; F127-Y202 HydrophobicContact CE1-CE2 3.69Å; F127-Y202 HydrophobicContact CZ-CD2 4.19Å; F127-Y202 HydrophobicContact CZ-CE2 4.15Å; S198-Y202 WeakPolarHBondContact O-CB 3.21Å; S198-Y202 PolarHBondContact O-N 2.96Å; L199-Y202 WeakPolarHBondContact O-CA 3.46Å; L199-Y202 WeakPolarHBondContact O-CB 3.46Å; L199-Y202 PolarHBondContact O-N 3.38Å; L199-Y202 VanDerWaalsContact O-N 3.12Å; D200-Y202 VanDerWaalsContact C-N 3.35Å; D200-Y202 PolarHBondContact O-N 3.44Å; Y202-V204 PolarHBondContact O-N 3.35Å; Y202-S205 CarbonylContact O-C 3.44Å; Y202-S205 WeakPolarHBondContact O-CB 3.32Å; Y202-S205 PolarHBondContact O-N 2.69Å; Y202-N206 WeakPolarHBondContact O-CB 3.08Å; Y202-N206 PolarHBondContact O-N 3.27Å; Y202-F273 AromaticContact CD1-CE1 3.97Å; Y202-F273 HydrophobicContact CD1-CE1 3.97Å; Y202-F273 AromaticContact CE1-CD1 3.9Å; Y202-F273 HydrophobicContact CE1-CD1 3.9Å; Y202-F273 AromaticContact CE1-CE1 3.67Å; Y202-F273 HydrophobicContact CE1-CE1 3.67Å; Y202-F273 HydrophobicContact CE1-CZ 4.41Å |
| 203 | A | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L199 D200 N206 A207 Y274 L280 | L199-A203 PolarHBondContact O-N 2.93Å; D200-A203 PolarHBondContact O-N 3.08Å; A203-N206 PolarHBondContact O-N 3.02Å; A203-A207 PolarHBondContact O-N 3.33Å; A203-Y274 HydrophobicContact CB-CE1 3.97Å; A203-L280 HydrophobicContact CB-CD1 3.47Å; A203-L280 VanDerWaalsContact CB-CD1 3.47Å; A203-L280 HydrophobicContact CB-CG 3.85Å |
| 204 | V | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 175 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | W135 L169 F181 L186 D200 K201 Y202 N206 A207 M208 L283 | W135-V204 HydrophobicContact CH2-CB 4.27Å; W135-V204 HydrophobicContact CH2-CG1 4.34Å; W135-V204 HydrophobicContact CZ2-CB 4.12Å; W135-V204 HydrophobicContact CZ2-CG1 4.25Å; L169-V204 HydrophobicContact CD2-CG1 3.57Å; F181-V204 HydrophobicContact CE2-CG2 4.08Å; F181-V204 HydrophobicContact CZ-CG1 4.18Å; F181-V204 HydrophobicContact CZ-CG2 3.81Å; L186-V204 HydrophobicContact CD1-CG2 4.18Å; L186-V204 HydrophobicContact CD2-CG1 4.32Å; L186-V204 HydrophobicContact CD2-CG2 4.02Å; D200-V204 PolarHBondContact O-N 3.16Å; K201-V204 PolarHBondContact O-N 3.07Å; Y202-V204 PolarHBondContact O-N 3.35Å; V204-N206 VanDerWaalsContact C-N 3.31Å; V204-N206 PolarHBondContact O-N 2.87Å; V204-A207 PolarHBondContact O-N 3.39Å; V204-M208 HydrophobicContact CG1-SD 4.25Å; V204-M208 WeakPolarHBondContact O-CG 3.02Å; V204-M208 PolarHBondContact O-N 3.27Å; V204-L283 HydrophobicContact CG2-CD2 4.09Å; V204-L283 HydrophobicContact CG2-CG 4.15Å |
| 205 | S | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | W135 K201 Y202 M208 T209 | W135-S205 PolarHBondContact NE1-OG 3.02Å; K201-S205 VanDerWaalsContact O-CB 3.29Å; K201-S205 WeakPolarHBondContact O-CB 3.11Å; K201-S205 PolarHBondContact O-N 3.13Å; K201-S205 PolarHBondContact O-OG 2.85Å; Y202-S205 CarbonylContact O-C 3.44Å; Y202-S205 WeakPolarHBondContact O-CB 3.32Å; Y202-S205 PolarHBondContact O-N 2.69Å; S205-M208 WeakPolarHBondContact O-CB 3.25Å; S205-M208 PolarHBondContact O-N 3.3Å; S205-T209 PolarHBondContact O-N 3.46Å; S205-T209 PolarHBondContact O-OG1 3.07Å |
| 206 | N | 93.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 10.7 Ų | 10.7 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.3 | -170.5 | 29.9 | 0 | 0 | 0 | 111 | F127 Y202 A203 V204 M208 T209 Y210 Y274 Y284 | F127-N206 HydrophobicContact CE1-CB 4.07Å; F127-N206 HydrophobicContact CZ-CB 4.29Å; Y202-N206 WeakPolarHBondContact O-CB 3.08Å; Y202-N206 PolarHBondContact O-N 3.27Å; A203-N206 PolarHBondContact O-N 3.02Å; V204-N206 VanDerWaalsContact C-N 3.31Å; V204-N206 PolarHBondContact O-N 2.87Å; N206-M208 VanDerWaalsContact C-N 3.32Å; N206-M208 PolarHBondContact O-N 2.87Å; N206-T209 WeakPolarHBondContact O-CB 3.46Å; N206-T209 PolarHBondContact O-N 3.22Å; N206-Y210 WeakPolarHBondContact O-CD2 3.29Å; N206-Y210 PolarHBondContact O-N 2.9Å; N206-Y210 WeakPolarHBondContact OD1-CE2 3.4Å; N206-Y274 PolarHBondContact ND2-OH 3.24Å; N206-Y284 HydrophobicContact CB-CE2 4.35Å |
| 207 | A | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A203 V204 Y210 S211 Y284 A287 F291 I293 | A203-A207 PolarHBondContact O-N 3.33Å; V204-A207 PolarHBondContact O-N 3.39Å; A207-Y210 PolarHBondContact O-N 3.42Å; A207-S211 PolarHBondContact O-N 3.16Å; A207-S211 VanDerWaalsContact O-N 3.15Å; A207-Y284 HydrophobicContact CB-CD2 4.16Å; A207-Y284 HydrophobicContact CB-CE2 4.05Å; A207-A287 HydrophobicContact CB-CB 3.68Å; A207-F291 HydrophobicContact CB-CD2 4.25Å; A207-F291 HydrophobicContact CB-CE2 4.28Å; A207-I293 WeakPolarHBondContact O-CD1 3.48Å |
| 208 | M | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.9 | -74 | -176.2 | 79.2 | 0 | 0 | 112.9 | I74 A76 V133 L169 V204 S205 N206 Y210 S211 V212 F291 | I74-M208 HydrophobicContact CB-CE 4.36Å; I74-M208 HydrophobicContact CB-SD 4.21Å; I74-M208 HydrophobicContact CG2-CE 3.95Å; I74-M208 HydrophobicContact CG2-SD 3.52Å; I74-M208 VanDerWaalsContact CG2-SD 3.52Å; A76-M208 HydrophobicContact CB-CB 3.89Å; A76-M208 HydrophobicContact CB-CE 3.81Å; V133-M208 HydrophobicContact CG1-SD 4.29Å; V133-M208 HydrophobicContact CG2-CB 4.3Å; L169-M208 HydrophobicContact CB-CE 3.98Å; L169-M208 HydrophobicContact CB-SD 4.07Å; L169-M208 HydrophobicContact CD2-SD 4.29Å; V204-M208 HydrophobicContact CG1-SD 4.25Å; V204-M208 WeakPolarHBondContact O-CG 3.02Å; V204-M208 PolarHBondContact O-N 3.27Å; S205-M208 WeakPolarHBondContact O-CB 3.25Å; S205-M208 PolarHBondContact O-N 3.3Å; N206-M208 VanDerWaalsContact C-N 3.32Å; N206-M208 PolarHBondContact O-N 2.87Å; M208-Y210 VanDerWaalsContact C-N 3.27Å; M208-Y210 PolarHBondContact O-N 3.29Å; M208-S211 WeakPolarHBondContact O-CA 3.37Å; M208-S211 WeakPolarHBondContact O-CB 3.45Å; M208-S211 PolarHBondContact O-N 3.25Å; M208-V212 PolarHBondContact O-N 3.36Å; M208-F291 HydrophobicContact CB-CZ 4.48Å; M208-F291 HydrophobicContact CG-CE1 4.07Å; M208-F291 HydrophobicContact CG-CE2 3.55Å; M208-F291 HydrophobicContact CG-CZ 3.27Å; M208-F291 HydrophobicContact SD-CZ 4.13Å |
| 209 | T | 92.3 | Very high | 93 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -52.2 | -48.7 | 173.8 | -74.1 | 0 | 0 | 0 | 0 | 110.6 | F127 E129 A131 S205 N206 S211 V212 K213 | F127-T209 HydrophobicContact CB-CG2 4.23Å; F127-T209 HydrophobicContact CD1-CG2 4.49Å; F127-T209 WeakPolarHBondContact CD2-OG1 3.38Å; F127-T209 WeakPolarHBondContact CE2-OG1 3.44Å; F127-T209 HydrophobicContact CG-CG2 4.22Å; F127-T209 WeakPolarHBondContact CG-OG1 3.44Å; E129-T209 HydrophobicContact CB-CG2 4.29Å; A131-T209 HydrophobicContact CB-CG2 3.48Å; A131-T209 VanDerWaalsContact CB-CG2 3.48Å; S205-T209 PolarHBondContact O-N 3.46Å; S205-T209 PolarHBondContact O-OG1 3.07Å; N206-T209 WeakPolarHBondContact O-CB 3.46Å; N206-T209 PolarHBondContact O-N 3.22Å; T209-S211 VanDerWaalsContact C-N 3.34Å; T209-S211 PolarHBondContact O-N 2.9Å; T209-V212 WeakPolarHBondContact O-CG2 3.41Å; T209-V212 PolarHBondContact O-N 2.9Å; T209-K213 WeakPolarHBondContact O-CB 3.26Å; T209-K213 PolarHBondContact O-N 3.36Å |
| 210 | Y | 90.5 | Very high | 93 | Very high | 29 Ų | 29 | 8.7 Ų | 8.7 | 11% | 0.114 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.6 | -35.1 | 177 | -65 | -59.8 | 0 | 0 | 0 | 113.2 | N206 A207 M208 V212 K213 L214 L267 | N206-Y210 WeakPolarHBondContact O-CD2 3.29Å; N206-Y210 PolarHBondContact O-N 2.9Å; N206-Y210 WeakPolarHBondContact OD1-CE2 3.4Å; A207-Y210 PolarHBondContact O-N 3.42Å; M208-Y210 VanDerWaalsContact C-N 3.27Å; M208-Y210 PolarHBondContact O-N 3.29Å; Y210-V212 PolarHBondContact O-N 3.46Å; Y210-K213 PolarHBondContact O-N 3.43Å; Y210-L214 WeakPolarHBondContact O-CB 3.31Å; Y210-L214 PolarHBondContact O-N 3.23Å; Y210-L267 HydrophobicContact CD1-CD1 3.32Å; Y210-L267 HydrophobicContact CD1-CD2 3.67Å; Y210-L267 HydrophobicContact CD1-CG 4.05Å; Y210-L267 HydrophobicContact CD2-CD1 3.3Å; Y210-L267 HydrophobicContact CE1-CB 4.33Å; Y210-L267 HydrophobicContact CE1-CD1 3.51Å; Y210-L267 HydrophobicContact CE1-CD2 4.19Å; Y210-L267 HydrophobicContact CE1-CG 4.24Å; Y210-L267 HydrophobicContact CE2-CD1 3.48Å; Y210-L267 VanDerWaalsContact CE2-CD1 3.48Å; Y210-L267 HydrophobicContact CG-CD1 3.19Å; Y210-L267 HydrophobicContact CG-CD2 4.09Å; Y210-L267 HydrophobicContact CG-CG 4.27Å |
| 211 | S | 92.3 | Very high | 93 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.007 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 175.9 | -169.2 | 0 | 0 | 0 | 0 | 112 | D167 A207 M208 T209 S215 R296 | D167-S211 VanDerWaalsContact OD2-CB 3.27Å; D167-S211 WeakPolarHBondContact OD2-CB 3.3Å; D167-S211 PolarHBondContact OD2-OG 3.49Å; A207-S211 PolarHBondContact O-N 3.16Å; A207-S211 VanDerWaalsContact O-N 3.15Å; M208-S211 WeakPolarHBondContact O-CA 3.37Å; M208-S211 WeakPolarHBondContact O-CB 3.45Å; M208-S211 PolarHBondContact O-N 3.25Å; T209-S211 VanDerWaalsContact C-N 3.34Å; T209-S211 PolarHBondContact O-N 2.9Å; S211-S215 PolarHBondContact O-N 2.96Å; S211-S215 VanDerWaalsContact O-N 3.15Å; S211-S215 PolarHBondContact O-OG 2.93Å; S211-R296 PolarHBondContact O-NH1 3.02Å; S211-R296 VanDerWaalsContact O-NH1 3.12Å; S211-R296 PolarHBondContact O-NH2 3.16Å; S211-R296 PolarHBondContact OG-NH1 3.3Å |
| 212 | V | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -72.2 | -38.7 | 179.2 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | A76 T78 A131 D167 M208 T209 Y210 L214 S215 V216 | A76-V212 HydrophobicContact CB-CG1 3.59Å; A76-V212 HydrophobicContact CB-CG2 4.37Å; T78-V212 HydrophobicContact CG2-CB 4.01Å; T78-V212 HydrophobicContact CG2-CG2 4.13Å; A131-V212 HydrophobicContact CB-CG2 4.23Å; D167-V212 HydrophobicContact CB-CG1 3.76Å; M208-V212 PolarHBondContact O-N 3.36Å; T209-V212 WeakPolarHBondContact O-CG2 3.41Å; T209-V212 PolarHBondContact O-N 2.9Å; Y210-V212 PolarHBondContact O-N 3.46Å; V212-L214 VanDerWaalsContact C-N 3.29Å; V212-L214 PolarHBondContact O-N 3.03Å; V212-S215 WeakPolarHBondContact O-CB 3.42Å; V212-S215 PolarHBondContact O-N 2.93Å; V212-S215 VanDerWaalsContact O-N 3.12Å; V212-V216 PolarHBondContact O-N 2.88Å; V212-V216 VanDerWaalsContact O-N 3.16Å |
| 213 | K | 91 | Very high | 92.8 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.1 | -139 | -46 | -167.5 | -172.5 | 0 | 111.2 | Y157 T209 Y210 S215 V216 W217 | Y157-K213 WeakPolarHBondContact OH-CE 3.44Å; Y157-K213 PolarHBondContact OH-NZ 3.03Å; T209-K213 WeakPolarHBondContact O-CB 3.26Å; T209-K213 PolarHBondContact O-N 3.36Å; Y210-K213 PolarHBondContact O-N 3.43Å; K213-S215 VanDerWaalsContact C-N 3.29Å; K213-S215 PolarHBondContact O-N 2.93Å; K213-V216 WeakPolarHBondContact O-CB 3.42Å; K213-V216 PolarHBondContact O-N 3.32Å; K213-W217 HydrophobicContact CD-CD2 4.1Å; K213-W217 HydrophobicContact CD-CH2 4.05Å; K213-W217 HydrophobicContact CD-CZ2 3.61Å; K213-W217 VanDerWaalsContact CE-CZ2 3.42Å; K213-W217 HydrophobicContact CG-CH2 4.46Å; K213-W217 HydrophobicContact CG-CZ2 4.42Å; K213-W217 VanDerWaalsContact NZ-CE2 3.29Å; K213-W217 PolarHBondContact O-N 2.92Å |
| 214 | L | 91.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 176.4 | -173 | 54.3 | 0 | 0 | 0 | 111.8 | Y210 V212 V216 W217 E218 I293 R296 I297 L300 | Y210-L214 WeakPolarHBondContact O-CB 3.31Å; Y210-L214 PolarHBondContact O-N 3.23Å; V212-L214 VanDerWaalsContact C-N 3.29Å; V212-L214 PolarHBondContact O-N 3.03Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 3.46Å; L214-W217 HydrophobicContact CD1-CE3 3.94Å; L214-W217 PolarHBondContact O-N 3Å; L214-E218 HydrophobicContact CD1-CG 4.49Å; L214-E218 HydrophobicContact CG-CG 4.49Å; L214-E218 WeakPolarHBondContact O-CB 3.12Å; L214-E218 VanDerWaalsContact O-CG 3.26Å; L214-E218 WeakPolarHBondContact O-CG 3.47Å; L214-E218 PolarHBondContact O-N 3.39Å; L214-I293 HydrophobicContact CD2-CG2 4.15Å; L214-R296 HydrophobicContact CD2-CB 3.32Å; L214-R296 HydrophobicContact CD2-CG 4.32Å; L214-R296 HydrophobicContact CG-CB 4.15Å; L214-I297 HydrophobicContact CD1-CG1 4.25Å; L214-I297 HydrophobicContact CD2-CG1 3.96Å; L214-L300 HydrophobicContact CD1-CD2 3.68Å |
| 215 | S | 92.5 | Very high | 92.6 | Very high | 19 Ų | 19 | 14.8 Ų | 14.8 | 13% | 0.133 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 174.6 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | S211 V212 K213 E218 T219 R296 | S211-S215 PolarHBondContact O-N 2.96Å; S211-S215 VanDerWaalsContact O-N 3.15Å; S211-S215 PolarHBondContact O-OG 2.93Å; V212-S215 WeakPolarHBondContact O-CB 3.42Å; V212-S215 PolarHBondContact O-N 2.93Å; V212-S215 VanDerWaalsContact O-N 3.12Å; K213-S215 VanDerWaalsContact C-N 3.29Å; K213-S215 PolarHBondContact O-N 2.93Å; S215-E218 PolarHBondContact O-N 2.88Å; S215-T219 PolarHBondContact O-N 2.93Å; S215-T219 PolarHBondContact O-OG1 3.03Å; S215-T219 VanDerWaalsContact O-OG1 3.12Å; S215-R296 VanDerWaalsContact N-NH2 3.14Å; S215-R296 PolarHBondContact OG-NH2 2.95Å |
| 216 | V | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 174.3 | 172 | 0 | 0 | 0 | 0 | 111.6 | T78 Y157 I161 A165 V212 K213 L214 E218 T219 L220 | T78-V216 HydrophobicContact CG2-CG2 3.3Å; Y157-V216 HydrophobicContact CD1-CG1 3.82Å; Y157-V216 HydrophobicContact CD2-CG1 4.1Å; Y157-V216 HydrophobicContact CD2-CG2 4.15Å; Y157-V216 HydrophobicContact CE1-CG1 3.7Å; Y157-V216 HydrophobicContact CE2-CG1 3.98Å; Y157-V216 HydrophobicContact CE2-CG2 4.09Å; Y157-V216 HydrophobicContact CG-CG1 4.04Å; I161-V216 HydrophobicContact CG2-CB 4.31Å; I161-V216 HydrophobicContact CG2-CG1 3.84Å; I161-V216 HydrophobicContact CG2-CG2 4.26Å; A165-V216 HydrophobicContact CB-CG2 3.43Å; A165-V216 VanDerWaalsContact CB-CG2 3.43Å; V212-V216 PolarHBondContact O-N 2.88Å; V212-V216 VanDerWaalsContact O-N 3.16Å; K213-V216 WeakPolarHBondContact O-CB 3.42Å; K213-V216 PolarHBondContact O-N 3.32Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-V216 PolarHBondContact O-N 3.46Å; V216-E218 PolarHBondContact O-N 3.49Å; V216-T219 PolarHBondContact O-N 2.97Å; V216-L220 HydrophobicContact CG1-CD1 3.89Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 WeakPolarHBondContact O-CG 3.43Å; V216-L220 PolarHBondContact O-N 3.03Å |
| 217 | W | 92 | Very high | 92.3 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 179 | -67 | -36 | 0 | 0 | 0 | 113.4 | K213 L214 T219 L220 L221 L257 I261 D264 L300 | K213-W217 HydrophobicContact CD-CD2 4.1Å; K213-W217 HydrophobicContact CD-CH2 4.05Å; K213-W217 HydrophobicContact CD-CZ2 3.61Å; K213-W217 VanDerWaalsContact CE-CZ2 3.42Å; K213-W217 HydrophobicContact CG-CH2 4.46Å; K213-W217 HydrophobicContact CG-CZ2 4.42Å; K213-W217 VanDerWaalsContact NZ-CE2 3.29Å; K213-W217 PolarHBondContact O-N 2.92Å; L214-W217 HydrophobicContact CD1-CE3 3.94Å; L214-W217 PolarHBondContact O-N 3Å; W217-T219 VanDerWaalsContact C-N 3.29Å; W217-T219 PolarHBondContact O-N 3.48Å; W217-L220 PolarHBondContact O-N 2.66Å; W217-L221 VanDerWaalsContact O-CB 3.32Å; W217-L221 WeakPolarHBondContact O-CB 3.33Å; W217-L221 PolarHBondContact O-N 3.3Å; W217-L257 HydrophobicContact CG-CD1 4.37Å; W217-I261 HydrophobicContact CB-CG1 4.37Å; W217-I261 HydrophobicContact CD2-CG1 3.67Å; W217-I261 HydrophobicContact CE3-CG1 3.89Å; W217-I261 HydrophobicContact CG-CG1 3.92Å; W217-I261 HydrophobicContact CZ2-CG1 4.47Å; W217-I261 HydrophobicContact CZ3-CG1 4.44Å; W217-D264 HydrophobicContact CH2-CB 3.53Å; W217-D264 WeakPolarHBondContact CH2-OD2 3.11Å; W217-D264 HydrophobicContact CZ2-CB 4.04Å; W217-D264 WeakPolarHBondContact CZ2-OD2 3.33Å; W217-L300 HydrophobicContact CB-CD2 3.98Å; W217-L300 HydrophobicContact CE3-CD2 4.43Å |
| 218 | E | 93 | Very high | 92.2 | Very high | 37 Ų | 37 | 20.5 Ų | 20.5 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.7 | -75.9 | 172.5 | 162.5 | 0 | 0 | 111.2 | L214 S215 V216 S222 R296 L300 | L214-E218 HydrophobicContact CD1-CG 4.49Å; L214-E218 HydrophobicContact CG-CG 4.49Å; L214-E218 WeakPolarHBondContact O-CB 3.12Å; L214-E218 VanDerWaalsContact O-CG 3.26Å; L214-E218 WeakPolarHBondContact O-CG 3.47Å; L214-E218 PolarHBondContact O-N 3.39Å; S215-E218 PolarHBondContact O-N 2.88Å; V216-E218 PolarHBondContact O-N 3.49Å; E218-S222 VanDerWaalsContact O-CB 3.31Å; E218-S222 WeakPolarHBondContact O-CB 3.3Å; E218-S222 PolarHBondContact O-N 3.1Å; E218-S222 PolarHBondContact O-OG 2.76Å; E218-R296 WeakPolarHBondContact OE1-CB 3.28Å; E218-R296 IonicContact OE1-CZ 3.53Å; E218-R296 IonicContact OE1-NE 3.4Å; E218-R296 PolarHBondContact OE1-NE 2.65Å; E218-R296 IonicContact OE1-NH2 2.79Å; E218-R296 IonicContact OE2-CZ 2.93Å; E218-R296 IonicContact OE2-NE 3.68Å; E218-R296 PolarHBondContact OE2-NE 3.1Å; E218-R296 IonicContact OE2-NH2 3.79Å; E218-R296 PolarHBondContact OE2-NH2 3.24Å; E218-L300 HydrophobicContact CB-CD1 4.43Å; E218-L300 HydrophobicContact CG-CD1 3.88Å |
| 219 | T | 93.3 | Very high | 92 | Very high | 41 Ų | 41 | 25.8 Ų | 25.8 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.7 | -51.7 | 175.1 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | I161 S215 V216 W217 L221 S222 E223 | I161-T219 HydrophobicContact CG1-CG2 4.16Å; I161-T219 HydrophobicContact CG2-CG2 4.1Å; S215-T219 PolarHBondContact O-N 2.93Å; S215-T219 PolarHBondContact O-OG1 3.03Å; S215-T219 VanDerWaalsContact O-OG1 3.12Å; V216-T219 PolarHBondContact O-N 2.97Å; W217-T219 VanDerWaalsContact C-N 3.29Å; W217-T219 PolarHBondContact O-N 3.48Å; T219-L221 VanDerWaalsContact C-N 3.32Å; T219-L221 PolarHBondContact O-N 3.42Å; T219-S222 WeakPolarHBondContact O-CA 3.4Å; T219-S222 WeakPolarHBondContact O-CB 3.45Å; T219-S222 PolarHBondContact O-N 3.17Å; T219-E223 PolarHBondContact O-N 3.15Å |
| 220 | L | 92.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -42.6 | 178.1 | -72.6 | 171.5 | 0 | 0 | 0 | 112.5 | I161 V216 W217 S222 F224 L257 | I161-L220 HydrophobicContact CD1-CD2 3.55Å; I161-L220 HydrophobicContact CD1-CG 4.29Å; V216-L220 HydrophobicContact CG1-CD1 3.89Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 WeakPolarHBondContact O-CG 3.43Å; V216-L220 PolarHBondContact O-N 3.03Å; W217-L220 PolarHBondContact O-N 2.66Å; L220-S222 VanDerWaalsContact C-N 3.32Å; L220-F224 PolarHBondContact O-N 3.25Å; L220-F224 VanDerWaalsContact O-N 3.1Å; L220-L257 HydrophobicContact CB-CD1 4.45Å; L220-L257 HydrophobicContact CD1-CD1 4.42Å |
| 221 | L | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -35.2 | 176 | -176.1 | 59.4 | 0 | 0 | 0 | 111.6 | W217 T219 F224 V225 L254 L257 L300 R303 L304 | W217-L221 VanDerWaalsContact O-CB 3.32Å; W217-L221 WeakPolarHBondContact O-CB 3.33Å; W217-L221 PolarHBondContact O-N 3.3Å; T219-L221 VanDerWaalsContact C-N 3.32Å; T219-L221 PolarHBondContact O-N 3.42Å; L221-F224 PolarHBondContact O-N 2.98Å; L221-V225 HydrophobicContact CD1-CG2 4.48Å; L221-V225 HydrophobicContact CG-CG2 4.45Å; L221-V225 VanDerWaalsContact O-CG2 3.25Å; L221-V225 WeakPolarHBondContact O-CG2 3.39Å; L221-V225 PolarHBondContact O-N 3.3Å; L221-L254 HydrophobicContact CD1-CD1 3.96Å; L221-L257 HydrophobicContact CB-CD2 3.96Å; L221-L257 HydrophobicContact CD1-CD2 4.12Å; L221-L300 HydrophobicContact CB-CD1 4.09Å; L221-L300 HydrophobicContact CD2-CD1 3.52Å; L221-L300 HydrophobicContact CD2-CG 4.13Å; L221-L300 HydrophobicContact CG-CD1 4.46Å; L221-R303 HydrophobicContact CD2-CB 3.61Å; L221-R303 HydrophobicContact CG-CB 4.49Å; L221-L304 HydrophobicContact CD1-CD1 4.39Å; L221-L304 HydrophobicContact CD2-CB 4.32Å |
| 222 | S | 93 | Very high | 91.6 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | E218 T219 L220 F224 V225 D226 R303 | E218-S222 VanDerWaalsContact O-CB 3.31Å; E218-S222 WeakPolarHBondContact O-CB 3.3Å; E218-S222 PolarHBondContact O-N 3.1Å; E218-S222 PolarHBondContact O-OG 2.76Å; T219-S222 WeakPolarHBondContact O-CA 3.4Å; T219-S222 WeakPolarHBondContact O-CB 3.45Å; T219-S222 PolarHBondContact O-N 3.17Å; L220-S222 VanDerWaalsContact C-N 3.32Å; S222-F224 VanDerWaalsContact C-N 3.28Å; S222-F224 PolarHBondContact O-N 3.35Å; S222-V225 PolarHBondContact O-N 2.83Å; S222-V225 VanDerWaalsContact O-N 3.15Å; S222-D226 PolarHBondContact O-N 3.45Å; S222-R303 PolarHBondContact OG-NH1 3.43Å; S222-R303 PolarHBondContact OG-NH2 2.83Å |
| 223 | E | 92 | Very high | 91.6 | Very high | 81 Ų | 81 | 35.6 Ų | 35.6 | 38% | 0.379 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 173.2 | -68.2 | 179 | 165.3 | 0 | 0 | 112 | T219 D226 A227 | T219-E223 PolarHBondContact O-N 3.15Å; E223-D226 PolarHBondContact O-N 2.82Å; E223-A227 PolarHBondContact O-N 3.02Å |
| 224 | F | 91.8 | Very high | 91.5 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 175.7 | -172.4 | -94.9 | 0 | 0 | 0 | 112.8 | F33 L220 L221 S222 A227 L228 R250 A253 L254 C307 L311 | F33-F224 HydrophobicContact CE1-CD2 4.5Å; L220-F224 PolarHBondContact O-N 3.25Å; L220-F224 VanDerWaalsContact O-N 3.1Å; L221-F224 PolarHBondContact O-N 2.98Å; S222-F224 VanDerWaalsContact C-N 3.28Å; S222-F224 PolarHBondContact O-N 3.35Å; F224-A227 PolarHBondContact O-N 2.9Å; F224-L228 HydrophobicContact CD1-CD1 3.76Å; F224-L228 HydrophobicContact CD1-CG 4.41Å; F224-L228 HydrophobicContact CE1-CD1 3.32Å; F224-L228 HydrophobicContact CE1-CG 4.09Å; F224-L228 HydrophobicContact CZ-CD1 4.11Å; F224-L228 WeakPolarHBondContact O-CG 3.5Å; F224-L228 PolarHBondContact O-N 2.79Å; F224-L228 VanDerWaalsContact O-N 3.17Å; F224-R250 HydrophobicContact CE2-CB 4.17Å; F224-R250 HydrophobicContact CZ-CB 4.05Å; F224-R250 WeakPolarHBondContact CZ-O 3.45Å; F224-A253 HydrophobicContact CE2-CB 4.41Å; F224-L254 HydrophobicContact CD1-CD1 3.95Å; F224-L254 HydrophobicContact CE1-CB 4.07Å; F224-L254 HydrophobicContact CE1-CD1 3.83Å; F224-L254 HydrophobicContact CE1-CD2 3.91Å; F224-L254 HydrophobicContact CE1-CG 4.17Å; F224-L254 HydrophobicContact CE2-CB 4.46Å; F224-L254 HydrophobicContact CZ-CB 3.87Å; F224-L254 HydrophobicContact CZ-CD1 4.44Å; F224-L254 HydrophobicContact CZ-CD2 4.38Å; F224-L254 HydrophobicContact CZ-CG 4.47Å; F224-C307 HydrophobicContact CD1-CB 4.41Å; F224-C307 HydrophobicContact CE1-CB 4.11Å; F224-L311 HydrophobicContact CE1-CD1 4.45Å; F224-L311 HydrophobicContact CZ-CD1 4.14Å |
| 225 | V | 92.8 | Very high | 91.3 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.8 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | L221 S222 A227 L228 E229 C307 | L221-V225 HydrophobicContact CD1-CG2 4.48Å; L221-V225 HydrophobicContact CG-CG2 4.45Å; L221-V225 VanDerWaalsContact O-CG2 3.25Å; L221-V225 WeakPolarHBondContact O-CG2 3.39Å; L221-V225 PolarHBondContact O-N 3.3Å; S222-V225 PolarHBondContact O-N 2.83Å; S222-V225 VanDerWaalsContact O-N 3.15Å; V225-A227 VanDerWaalsContact C-N 3.29Å; V225-A227 PolarHBondContact O-N 3.04Å; V225-L228 CarbonylContact O-C 3.53Å; V225-L228 WeakPolarHBondContact O-CA 3.36Å; V225-L228 WeakPolarHBondContact O-CB 3.11Å; V225-L228 PolarHBondContact O-N 3Å; V225-E229 PolarHBondContact O-N 3.09Å; V225-C307 WeakPolarHBondContact CG2-SG 3.27Å |
| 226 | D | 92.5 | Very high | 91.2 | Very high | 94 Ų | 94 | 48.8 Ų | 48.8 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.7 | -63.4 | -12.1 | 0 | 0 | 0 | 110.6 | S222 E223 L228 E229 | S222-D226 PolarHBondContact O-N 3.45Å; E223-D226 PolarHBondContact O-N 2.82Å; D226-L228 VanDerWaalsContact C-N 3.26Å; D226-L228 PolarHBondContact O-N 3.17Å; D226-E229 WeakPolarHBondContact O-CB 3.29Å; D226-E229 PolarHBondContact O-N 3.3Å |
| 227 | A | 89.8 | Confident | 91.1 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -26.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y36 E223 F224 V225 S230 R250 | Y36-A227 HydrophobicContact CE1-CB 3.97Å; E223-A227 PolarHBondContact O-N 3.02Å; F224-A227 PolarHBondContact O-N 2.9Å; V225-A227 VanDerWaalsContact C-N 3.29Å; V225-A227 PolarHBondContact O-N 3.04Å; A227-S230 PolarHBondContact O-OG 3.14Å; A227-R250 PolarHBondContact O-NH1 3.02Å |
| 228 | L | 89.7 | Confident | 90.8 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -83.5 | -21.8 | 174.7 | -74.6 | 174.6 | 0 | 0 | 0 | 113.1 | F224 V225 D226 S230 V231 V232 C307 L310 L311 | F224-L228 HydrophobicContact CD1-CD1 3.76Å; F224-L228 HydrophobicContact CD1-CG 4.41Å; F224-L228 HydrophobicContact CE1-CD1 3.32Å; F224-L228 HydrophobicContact CE1-CG 4.09Å; F224-L228 HydrophobicContact CZ-CD1 4.11Å; F224-L228 WeakPolarHBondContact O-CG 3.5Å; F224-L228 PolarHBondContact O-N 2.79Å; F224-L228 VanDerWaalsContact O-N 3.17Å; V225-L228 CarbonylContact O-C 3.53Å; V225-L228 WeakPolarHBondContact O-CA 3.36Å; V225-L228 WeakPolarHBondContact O-CB 3.11Å; V225-L228 PolarHBondContact O-N 3Å; D226-L228 VanDerWaalsContact C-N 3.26Å; D226-L228 PolarHBondContact O-N 3.17Å; L228-S230 VanDerWaalsContact C-N 3.31Å; L228-S230 PolarHBondContact O-N 3.31Å; L228-V231 WeakPolarHBondContact O-CA 3.36Å; L228-V231 VanDerWaalsContact O-CB 3.3Å; L228-V231 WeakPolarHBondContact O-CB 3.32Å; L228-V231 PolarHBondContact O-N 3.22Å; L228-V232 WeakPolarHBondContact O-CG2 3.2Å; L228-V232 PolarHBondContact O-N 3.26Å; L228-C307 HydrophobicContact CD1-CB 4.19Å; L228-L310 HydrophobicContact CB-CD2 4.28Å; L228-L310 HydrophobicContact CD1-CD2 4.26Å; L228-L310 HydrophobicContact CD2-CD2 4.47Å; L228-L311 HydrophobicContact CD2-CD2 4.26Å |
| 229 | E | 90.7 | Very high | 90.3 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.6 | -47.2 | 179.9 | -170.8 | 171.8 | -166.6 | 0 | 0 | 111.3 | V225 D226 V231 V232 E233 | V225-E229 PolarHBondContact O-N 3.09Å; D226-E229 WeakPolarHBondContact O-CB 3.29Å; D226-E229 PolarHBondContact O-N 3.3Å; E229-V231 PolarHBondContact O-N 2.95Å; E229-V232 WeakPolarHBondContact O-CB 3.23Å; E229-V232 PolarHBondContact O-N 2.79Å; E229-E233 PolarHBondContact O-N 3.4Å |
| 230 | S | 89 | Confident | 89.7 | Confident | 56 Ų | 56 | 60.4 Ų | 60.4 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.9 | -34.1 | 174.2 | 64.8 | 0 | 0 | 0 | 0 | 114 | A227 L228 Q234 | A227-S230 PolarHBondContact O-OG 3.14Å; L228-S230 VanDerWaalsContact C-N 3.31Å; L228-S230 PolarHBondContact O-N 3.31Å; S230-Q234 WeakPolarHBondContact O-CG 3.39Å; S230-Q234 PolarHBondContact O-N 2.65Å |
| 231 | V | 89 | Confident | 89.1 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.9 | -41 | 178.5 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | L228 E229 E233 Q234 L235 L242 L314 | L228-V231 WeakPolarHBondContact O-CA 3.36Å; L228-V231 VanDerWaalsContact O-CB 3.3Å; L228-V231 WeakPolarHBondContact O-CB 3.32Å; L228-V231 PolarHBondContact O-N 3.22Å; E229-V231 PolarHBondContact O-N 2.95Å; V231-E233 VanDerWaalsContact C-N 3.3Å; V231-E233 PolarHBondContact O-N 3.01Å; V231-Q234 PolarHBondContact O-N 2.91Å; V231-L235 WeakPolarHBondContact O-CB 3.47Å; V231-L235 PolarHBondContact O-N 3.37Å; V231-L242 HydrophobicContact CB-CD1 4.16Å; V231-L242 HydrophobicContact CG1-CD1 3.31Å; V231-L242 HydrophobicContact CG1-CG 4.38Å; V231-L242 HydrophobicContact CG2-CD1 3.71Å; V231-L242 HydrophobicContact CG2-CG 4.35Å; V231-L314 HydrophobicContact CG1-CD1 3.74Å; V231-L314 HydrophobicContact CG1-CD2 4Å |
| 232 | V | 89.3 | Confident | 88.7 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 176.2 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L228 E229 L235 K236 L310 | L228-V232 WeakPolarHBondContact O-CG2 3.2Å; L228-V232 PolarHBondContact O-N 3.26Å; E229-V232 WeakPolarHBondContact O-CB 3.23Å; E229-V232 PolarHBondContact O-N 2.79Å; V232-L235 WeakPolarHBondContact O-CB 3.06Å; V232-L235 PolarHBondContact O-N 2.88Å; V232-K236 PolarHBondContact O-N 3.27Å; V232-L310 HydrophobicContact CG2-CD1 4.17Å; V232-L310 HydrophobicContact CG2-CD2 3.44Å; V232-L310 VanDerWaalsContact CG2-CD2 3.44Å; V232-L310 HydrophobicContact CG2-CG 4.47Å |
| 233 | E | 91.4 | Very high | 88.5 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 174.6 | -71.4 | -173.8 | 155.8 | 0 | 0 | 112.6 | E229 V231 K236 L237 | E229-E233 PolarHBondContact O-N 3.4Å; V231-E233 VanDerWaalsContact C-N 3.3Å; V231-E233 PolarHBondContact O-N 3.01Å; E233-K236 WeakPolarHBondContact O-CB 3.4Å; E233-K236 PolarHBondContact O-N 2.96Å; E233-L237 PolarHBondContact O-N 3.15Å |
| 234 | Q | 88.8 | Confident | 88.3 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 173.6 | -67.9 | 179.1 | 3.7 | 0 | 0 | 111.7 | S230 V231 K236 L237 G238 H239 S241 | S230-Q234 WeakPolarHBondContact O-CG 3.39Å; S230-Q234 PolarHBondContact O-N 2.65Å; V231-Q234 PolarHBondContact O-N 2.91Å; Q234-K236 VanDerWaalsContact C-N 3.26Å; Q234-K236 PolarHBondContact O-N 3.02Å; Q234-L237 WeakPolarHBondContact O-CA 3.33Å; Q234-L237 WeakPolarHBondContact O-CB 3.45Å; Q234-L237 PolarHBondContact O-N 3.5Å; Q234-G238 PolarHBondContact O-N 2.9Å; Q234-H239 CarbonylContact C-O 3.57Å; Q234-H239 WeakPolarHBondContact CB-O 3.26Å; Q234-H239 PolarHBondContact O-N 3.19Å; Q234-H239 VanDerWaalsContact O-N 3.16Å; Q234-S241 PolarHBondContact NE2-OG 3.23Å; Q234-S241 PolarHBondContact OE1-OG 3.38Å |
| 235 | L | 87.8 | Confident | 88.3 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 178.3 | -174 | 64.7 | 0 | 0 | 0 | 111.6 | V231 V232 L237 G238 H239 I240 L310 L313 L314 | V231-L235 WeakPolarHBondContact O-CB 3.47Å; V231-L235 PolarHBondContact O-N 3.37Å; V232-L235 WeakPolarHBondContact O-CB 3.06Å; V232-L235 PolarHBondContact O-N 2.88Å; L235-L237 PolarHBondContact O-N 3.46Å; L235-G238 WeakPolarHBondContact O-CA 3.49Å; L235-G238 PolarHBondContact O-N 3.27Å; L235-H239 PolarHBondContact N-O 3.36Å; L235-I240 HydrophobicContact CD1-CD1 3.67Å; L235-I240 HydrophobicContact CD1-CG1 3.85Å; L235-L310 HydrophobicContact CD2-CD1 4.16Å; L235-L313 HydrophobicContact CD1-CD2 4.17Å; L235-L313 HydrophobicContact CD2-CD2 3.77Å; L235-L314 HydrophobicContact CD2-CD2 4.49Å |
| 236 | K | 89.9 | Confident | 88.3 | Confident | 187 Ų | 187 | 69.9 Ų | 69.9 | 81% | 0.813 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.5 | -32.8 | 172.8 | -176.6 | -177.2 | 176.3 | -176 | 0 | 112.6 | V232 E233 Q234 G238 | V232-K236 PolarHBondContact O-N 3.27Å; E233-K236 WeakPolarHBondContact O-CB 3.4Å; E233-K236 PolarHBondContact O-N 2.96Å; Q234-K236 VanDerWaalsContact C-N 3.26Å; Q234-K236 PolarHBondContact O-N 3.02Å; K236-G238 PolarHBondContact O-N 3.43Å |
| 237 | L | 90.8 | Very high | 88.2 | Confident | 149 Ų | 149 | 65.5 Ų | 65.5 | 78% | 0.78 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.1 | 174.7 | -59.5 | 175 | 0 | 0 | 0 | 112.9 | E233 Q234 L235 H239 | E233-L237 PolarHBondContact O-N 3.15Å; Q234-L237 WeakPolarHBondContact O-CA 3.33Å; Q234-L237 WeakPolarHBondContact O-CB 3.45Å; Q234-L237 PolarHBondContact O-N 3.5Å; L235-L237 PolarHBondContact O-N 3.46Å; L237-H239 VanDerWaalsContact C-N 3.27Å; L237-H239 PolarHBondContact O-N 3.47Å |
| 238 | G | 85.9 | Confident | 88.3 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 9.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q234 L235 K236 | Q234-G238 PolarHBondContact O-N 2.9Å; L235-G238 WeakPolarHBondContact O-CA 3.49Å; L235-G238 PolarHBondContact O-N 3.27Å; K236-G238 PolarHBondContact O-N 3.43Å |
| 239 | H | 82.5 | Confident | 88.6 | Confident | 105 Ų | 105 | 76.6 Ų | 76.6 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | trans | -112.6 | 138.3 | -179 | -175.3 | -97.7 | 0 | 0 | 0 | 111.3 | Q234 L235 L237 | Q234-H239 CarbonylContact C-O 3.57Å; Q234-H239 WeakPolarHBondContact CB-O 3.26Å; Q234-H239 PolarHBondContact O-N 3.19Å; Q234-H239 VanDerWaalsContact O-N 3.16Å; L235-H239 PolarHBondContact N-O 3.36Å; L237-H239 VanDerWaalsContact C-N 3.27Å; L237-H239 PolarHBondContact O-N 3.47Å | ||
| 240 | I | 80.5 | Confident | 88.7 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | trans | -123.4 | 114.2 | 173.1 | -53.5 | -169.7 | 0 | 0 | 0 | 107.5 | L235 L242 L314 N317 | L235-I240 HydrophobicContact CD1-CD1 3.67Å; L235-I240 HydrophobicContact CD1-CG1 3.85Å; I240-L242 HydrophobicContact CG2-CB 3.99Å; I240-L314 HydrophobicContact CD1-CD2 3.77Å; I240-L314 HydrophobicContact CG2-CD2 4.27Å; I240-N317 HydrophobicContact CD1-CB 3.83Å; I240-N317 WeakPolarHBondContact CD1-ND2 3.49Å | ||
| 241 | S | 79.7 | Confident | 88.9 | Confident | 73 Ų | 73 | 70.6 Ų | 70.6 | 51% | 0.51 | 37% | 0.368 | S | S | . | . | trans | -86.8 | -13.8 | 175.6 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | Q234 | Q234-S241 PolarHBondContact NE2-OG 3.23Å; Q234-S241 PolarHBondContact OE1-OG 3.38Å | ||
| 242 | L | 85.9 | Confident | 89.1 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | trans | -69.2 | 132.5 | -177.5 | -74.6 | 165.6 | 0 | 0 | 0 | 112.1 | V231 I240 E246 V247 L314 I318 | V231-L242 HydrophobicContact CB-CD1 4.16Å; V231-L242 HydrophobicContact CG1-CD1 3.31Å; V231-L242 HydrophobicContact CG1-CG 4.38Å; V231-L242 HydrophobicContact CG2-CD1 3.71Å; V231-L242 HydrophobicContact CG2-CG 4.35Å; I240-L242 HydrophobicContact CG2-CB 3.99Å; L242-E246 HydrophobicContact CD2-CB 4.04Å; L242-E246 HydrophobicContact CD2-CG 3.36Å; L242-V247 HydrophobicContact CB-CG2 3.99Å; L242-V247 HydrophobicContact CD1-CG2 4.3Å; L242-L314 HydrophobicContact CD1-CD1 3.86Å; L242-I318 WeakPolarHBondContact O-CD1 3.22Å | ||
| 243 | S | 88.3 | Confident | 89.2 | Confident | 59 Ų | 59 | 70.6 Ų | 70.6 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | trans | -80.8 | 156.2 | 170.5 | 71.3 | 0 | 0 | 0 | 0 | 111.1 | P245 E246 V247 | S243-P245 WeakPolarHBondContact OG-CD 3.34Å; S243-P245 WeakPolarHBondContact OG-CG 3.25Å; S243-E246 WeakPolarHBondContact O-CB 3.31Å; S243-E246 PolarHBondContact O-N 3.15Å; S243-E246 WeakPolarHBondContact OG-CB 3.43Å; S243-E246 PolarHBondContact OG-N 3.41Å; S243-V247 PolarHBondContact O-N 3.26Å; S243-V247 VanDerWaalsContact O-N 3.08Å | ||
| 244 | K | 89.3 | Confident | 89.3 | Confident | 112 Ų | 112 | 64.8 Ų | 64.8 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -50.5 | -48.8 | 173.8 | -167.7 | 171.9 | -175.6 | 174.1 | 0 | 113.8 | E246 V247 L248 I318 | K244-E246 PolarHBondContact O-N 3.16Å; K244-V247 PolarHBondContact O-N 3.44Å; K244-L248 HydrophobicContact CG-CD1 4.28Å; K244-L248 WeakPolarHBondContact O-CG 3.36Å; K244-L248 PolarHBondContact O-N 3.12Å; K244-I318 HydrophobicContact CB-CG2 3.99Å; K244-I318 HydrophobicContact CG-CG2 4.43Å |
| 245 | P | 92 | Very high | 89.4 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -30.6 | 178.6 | 23.8 | -33.7 | 0 | 0 | 0 | 112.6 | S243 L248 R249 | S243-P245 WeakPolarHBondContact OG-CD 3.34Å; S243-P245 WeakPolarHBondContact OG-CG 3.25Å; P245-L248 PolarHBondContact O-N 3.08Å; P245-R249 VanDerWaalsContact O-CG 3.3Å; P245-R249 WeakPolarHBondContact O-CG 3.5Å; P245-R249 PolarHBondContact O-N 3.4Å |
| 246 | E | 91 | Very high | 89.6 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 178 | -170.7 | 59 | -160.1 | 0 | 0 | 112.1 | L242 S243 K244 L248 R249 R250 | L242-E246 HydrophobicContact CD2-CB 4.04Å; L242-E246 HydrophobicContact CD2-CG 3.36Å; S243-E246 WeakPolarHBondContact O-CB 3.31Å; S243-E246 PolarHBondContact O-N 3.15Å; S243-E246 WeakPolarHBondContact OG-CB 3.43Å; S243-E246 PolarHBondContact OG-N 3.41Å; K244-E246 PolarHBondContact O-N 3.16Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 2.81Å; E246-R249 PolarHBondContact O-N 3.23Å; E246-R249 IonicContact OE2-NH1 3.78Å; E246-R250 WeakPolarHBondContact O-CG 3.38Å; E246-R250 PolarHBondContact O-N 3.12Å; E246-R250 IonicContact OE1-CZ 3.96Å; E246-R250 IonicContact OE1-NE 3.41Å; E246-R250 PolarHBondContact OE1-NE 2.79Å; E246-R250 IonicContact OE1-NH2 3.54Å |
| 247 | V | 91.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 172.3 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | L242 S243 K244 R249 R250 A251 L311 L314 D315 I318 | L242-V247 HydrophobicContact CB-CG2 3.99Å; L242-V247 HydrophobicContact CD1-CG2 4.3Å; S243-V247 PolarHBondContact O-N 3.26Å; S243-V247 VanDerWaalsContact O-N 3.08Å; K244-V247 PolarHBondContact O-N 3.44Å; V247-R249 PolarHBondContact O-N 3.02Å; V247-R250 PolarHBondContact O-N 3.15Å; V247-A251 WeakPolarHBondContact O-CB 3.49Å; V247-A251 PolarHBondContact O-N 3.11Å; V247-L311 HydrophobicContact CG1-CD2 4.34Å; V247-L314 HydrophobicContact CG1-CB 4.34Å; V247-L314 HydrophobicContact CG2-CB 4.16Å; V247-D315 HydrophobicContact CG1-CB 4.1Å; V247-I318 HydrophobicContact CB-CD1 4.47Å; V247-I318 HydrophobicContact CG2-CD1 3.61Å |
| 248 | L | 92.5 | Very high | 89.6 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.6 | -71 | 173.9 | 0 | 0 | 0 | 112.8 | K244 P245 E246 A251 G252 | K244-L248 HydrophobicContact CG-CD1 4.28Å; K244-L248 WeakPolarHBondContact O-CG 3.36Å; K244-L248 PolarHBondContact O-N 3.12Å; P245-L248 PolarHBondContact O-N 3.08Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 2.81Å; L248-A251 PolarHBondContact O-N 3.04Å; L248-G252 PolarHBondContact O-N 2.98Å |
| 249 | R | 94.2 | Very high | 89.7 | Confident | 167 Ų | 167 | 59.6 Ų | 59.6 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 174.5 | -77.6 | 173 | -178.6 | 157.2 | -2.5 | 111.6 | P245 E246 V247 G252 A253 | P245-R249 VanDerWaalsContact O-CG 3.3Å; P245-R249 WeakPolarHBondContact O-CG 3.5Å; P245-R249 PolarHBondContact O-N 3.4Å; E246-R249 PolarHBondContact O-N 3.23Å; E246-R249 IonicContact OE2-NH1 3.78Å; V247-R249 PolarHBondContact O-N 3.02Å; R249-G252 PolarHBondContact O-N 3.12Å; R249-A253 PolarHBondContact O-N 2.97Å |
| 250 | R | 93.3 | Very high | 89.8 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 9% | 0.087 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.4 | -67.9 | -178.6 | -168.9 | -141.6 | 6.2 | 112 | Y36 F224 A227 E246 V247 A253 L254 L311 | Y36-R250 PolarHBondContact OH-NH2 2.86Å; F224-R250 HydrophobicContact CE2-CB 4.17Å; F224-R250 HydrophobicContact CZ-CB 4.05Å; F224-R250 WeakPolarHBondContact CZ-O 3.45Å; A227-R250 PolarHBondContact O-NH1 3.02Å; E246-R250 WeakPolarHBondContact O-CG 3.38Å; E246-R250 PolarHBondContact O-N 3.12Å; E246-R250 IonicContact OE1-CZ 3.96Å; E246-R250 IonicContact OE1-NE 3.41Å; E246-R250 PolarHBondContact OE1-NE 2.79Å; E246-R250 IonicContact OE1-NH2 3.54Å; V247-R250 PolarHBondContact O-N 3.15Å; R250-A253 PolarHBondContact O-N 3.41Å; R250-L254 WeakPolarHBondContact O-CB 2.99Å; R250-L254 PolarHBondContact O-N 3.4Å; R250-L311 HydrophobicContact CB-CD1 4.48Å; R250-L311 HydrophobicContact CB-CD2 3.84Å |
| 251 | A | 92.9 | Very high | 90 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V247 L248 A253 L254 F255 L311 | V247-A251 WeakPolarHBondContact O-CB 3.49Å; V247-A251 PolarHBondContact O-N 3.11Å; L248-A251 PolarHBondContact O-N 3.04Å; A251-A253 PolarHBondContact O-N 3.45Å; A251-L254 PolarHBondContact O-N 3.09Å; A251-F255 HydrophobicContact CB-CD2 4.43Å; A251-F255 HydrophobicContact CB-CE2 4.5Å; A251-F255 WeakPolarHBondContact O-CB 3.49Å; A251-F255 WeakPolarHBondContact O-CD2 3.3Å; A251-F255 PolarHBondContact O-N 3.18Å; A251-L311 HydrophobicContact CB-CD1 4.19Å |
| 252 | G | 93.8 | Very high | 90 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L248 R249 L254 F255 M256 | L248-G252 PolarHBondContact O-N 2.98Å; R249-G252 PolarHBondContact O-N 3.12Å; G252-L254 PolarHBondContact O-N 3.23Å; G252-F255 PolarHBondContact O-N 3.31Å; G252-M256 WeakPolarHBondContact O-CG 3.44Å; G252-M256 PolarHBondContact O-N 2.95Å |
| 253 | A | 92.2 | Very high | 89.6 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F33 F224 R249 R250 A251 M256 L257 | F33-A253 HydrophobicContact CE2-CB 4.45Å; F33-A253 HydrophobicContact CZ-CB 3.89Å; F224-A253 HydrophobicContact CE2-CB 4.41Å; R249-A253 PolarHBondContact O-N 2.97Å; R250-A253 PolarHBondContact O-N 3.41Å; A251-A253 PolarHBondContact O-N 3.45Å; A253-M256 PolarHBondContact O-N 3.15Å; A253-L257 PolarHBondContact O-N 2.9Å |
| 254 | L | 92.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 177.1 | -171.5 | 63.3 | 0 | 0 | 0 | 112.3 | L221 F224 R250 A251 G252 M256 L257 R258 L304 C307 M308 L311 | L221-L254 HydrophobicContact CD1-CD1 3.96Å; F224-L254 HydrophobicContact CD1-CD1 3.95Å; F224-L254 HydrophobicContact CE1-CB 4.07Å; F224-L254 HydrophobicContact CE1-CD1 3.83Å; F224-L254 HydrophobicContact CE1-CD2 3.91Å; F224-L254 HydrophobicContact CE1-CG 4.17Å; F224-L254 HydrophobicContact CE2-CB 4.46Å; F224-L254 HydrophobicContact CZ-CB 3.87Å; F224-L254 HydrophobicContact CZ-CD1 4.44Å; F224-L254 HydrophobicContact CZ-CD2 4.38Å; F224-L254 HydrophobicContact CZ-CG 4.47Å; R250-L254 WeakPolarHBondContact O-CB 2.99Å; R250-L254 PolarHBondContact O-N 3.4Å; A251-L254 PolarHBondContact O-N 3.09Å; G252-L254 PolarHBondContact O-N 3.23Å; L254-M256 VanDerWaalsContact C-N 3.33Å; L254-L257 PolarHBondContact O-N 3.49Å; L254-R258 WeakPolarHBondContact O-CB 3.33Å; L254-R258 PolarHBondContact O-N 2.97Å; L254-L304 HydrophobicContact CD1-CD1 3.55Å; L254-L304 HydrophobicContact CD1-CG 4.06Å; L254-L304 HydrophobicContact CG-CD1 4.2Å; L254-L304 HydrophobicContact CG-CG 4.44Å; L254-C307 HydrophobicContact CD1-CB 4.16Å; L254-C307 HydrophobicContact CD2-CB 3.41Å; L254-C307 VanDerWaalsContact CD2-CB 3.41Å; L254-C307 HydrophobicContact CG-CB 4.46Å; L254-M308 HydrophobicContact CB-SD 4.42Å; L254-M308 HydrophobicContact CD2-CB 4.37Å; L254-M308 HydrophobicContact CD2-CG 3.63Å; L254-M308 HydrophobicContact CD2-SD 3.53Å; L254-M308 VanDerWaalsContact CD2-SD 3.53Å; L254-M308 HydrophobicContact CG-CG 4.3Å; L254-M308 HydrophobicContact CG-SD 4.01Å; L254-L311 HydrophobicContact CB-CD1 4.39Å; L254-L311 HydrophobicContact CD2-CD1 3.76Å |
| 255 | F | 91.9 | Very high | 87.1 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 173.5 | -86.2 | -63.2 | 0 | 0 | 0 | 112 | A251 G252 R258 H259 M308 | A251-F255 HydrophobicContact CB-CD2 4.43Å; A251-F255 HydrophobicContact CB-CE2 4.5Å; A251-F255 WeakPolarHBondContact O-CB 3.49Å; A251-F255 WeakPolarHBondContact O-CD2 3.3Å; A251-F255 PolarHBondContact O-N 3.18Å; G252-F255 PolarHBondContact O-N 3.31Å; F255-R258 WeakPolarHBondContact O-CB 3.49Å; F255-R258 PolarHBondContact O-N 3.25Å; F255-H259 VanDerWaalsContact O-CB 3.26Å; F255-H259 WeakPolarHBondContact O-CB 3.42Å; F255-H259 PolarHBondContact O-N 2.63Å; F255-M308 HydrophobicContact CD1-SD 4.48Å; F255-M308 HydrophobicContact CD2-CE 4.31Å; F255-M308 HydrophobicContact CD2-SD 4.37Å; F255-M308 HydrophobicContact CE1-CE 3.81Å; F255-M308 HydrophobicContact CE1-SD 4.24Å; F255-M308 HydrophobicContact CE2-CE 3.49Å; F255-M308 VanDerWaalsContact CE2-CE 3.49Å; F255-M308 HydrophobicContact CE2-SD 4.11Å; F255-M308 HydrophobicContact CZ-CE 3.19Å; F255-M308 HydrophobicContact CZ-SD 4.05Å |
| 256 | M | 90.8 | Very high | 85.6 | Confident | 85 Ų | 85 | 60 Ų | 60 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.3 | -75.8 | -62.4 | -61.1 | 0 | 0 | 111.5 | G252 A253 L254 H259 R260 | G252-M256 WeakPolarHBondContact O-CG 3.44Å; G252-M256 PolarHBondContact O-N 2.95Å; A253-M256 PolarHBondContact O-N 3.15Å; L254-M256 VanDerWaalsContact C-N 3.33Å; M256-H259 PolarHBondContact O-N 3.35Å; M256-R260 VanDerWaalsContact O-CG 3.3Å; M256-R260 WeakPolarHBondContact O-CG 3.33Å; M256-R260 PolarHBondContact O-N 2.88Å |
| 257 | L | 90.2 | Very high | 83.9 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 174.7 | -177.7 | 58.5 | 0 | 0 | 0 | 111.5 | W217 L220 L221 A253 L254 H259 R260 I261 L304 | W217-L257 HydrophobicContact CG-CD1 4.37Å; L220-L257 HydrophobicContact CB-CD1 4.45Å; L220-L257 HydrophobicContact CD1-CD1 4.42Å; L221-L257 HydrophobicContact CB-CD2 3.96Å; L221-L257 HydrophobicContact CD1-CD2 4.12Å; A253-L257 PolarHBondContact O-N 2.9Å; L254-L257 PolarHBondContact O-N 3.49Å; L257-H259 VanDerWaalsContact C-N 3.33Å; L257-H259 PolarHBondContact O-N 3.01Å; L257-R260 PolarHBondContact O-N 3.09Å; L257-I261 HydrophobicContact CD1-CD1 4.17Å; L257-I261 HydrophobicContact CG-CD1 3.97Å; L257-I261 WeakPolarHBondContact O-CD1 3.49Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3Å; L257-L304 HydrophobicContact CD2-CD1 4.47Å; L257-L304 HydrophobicContact CG-CD1 4.41Å |
| 258 | R | 89.8 | Confident | 82.4 | Confident | 96 Ų | 96 | 62.7 Ų | 62.7 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 173.8 | -172.3 | 176.8 | -170.2 | 162.2 | -1.2 | 112 | L254 F255 R260 I261 N262 L304 | L254-R258 WeakPolarHBondContact O-CB 3.33Å; L254-R258 PolarHBondContact O-N 2.97Å; F255-R258 WeakPolarHBondContact O-CB 3.49Å; F255-R258 PolarHBondContact O-N 3.25Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R258-I261 PolarHBondContact O-N 3.37Å; R258-N262 VanDerWaalsContact O-CB 3.25Å; R258-N262 WeakPolarHBondContact O-CB 3.43Å; R258-N262 PolarHBondContact O-N 3.1Å; R258-L304 HydrophobicContact CB-CD1 4.11Å; R258-L304 HydrophobicContact CB-CD2 3.64Å; R258-L304 HydrophobicContact CB-CG 4.44Å; R258-L304 HydrophobicContact CG-CD2 3.44Å; R258-L304 VanDerWaalsContact CG-CD2 3.44Å |
| 259 | H | 87.8 | Confident | 81.4 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | -179.1 | -179.5 | 54.3 | 0 | 0 | 0 | 110.9 | F255 M256 L257 N262 L263 | F255-H259 VanDerWaalsContact O-CB 3.26Å; F255-H259 WeakPolarHBondContact O-CB 3.42Å; F255-H259 PolarHBondContact O-N 2.63Å; M256-H259 PolarHBondContact O-N 3.35Å; L257-H259 VanDerWaalsContact C-N 3.33Å; L257-H259 PolarHBondContact O-N 3.01Å; H259-N262 PolarHBondContact O-N 3.45Å; H259-L263 VanDerWaalsContact NE2-CD1 3.33Å; H259-L263 WeakPolarHBondContact NE2-CD1 3.5Å; H259-L263 WeakPolarHBondContact O-CB 3.39Å; H259-L263 WeakPolarHBondContact O-CG 3.45Å; H259-L263 PolarHBondContact O-N 3.45Å |
| 260 | R | 85.4 | Confident | 80.7 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 18% | 0.177 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -50.6 | 175.2 | -72.2 | 164.6 | 169.5 | -176.2 | -12.8 | 112 | E81 M256 L257 R258 N262 L263 D264 | E81-R260 WeakPolarHBondContact OE1-CD 3.27Å; E81-R260 IonicContact OE1-CZ 3.16Å; E81-R260 IonicContact OE1-NE 3.15Å; E81-R260 PolarHBondContact OE1-NE 2.97Å; E81-R260 IonicContact OE1-NH1 2.96Å; E81-R260 PolarHBondContact OE1-NH1 3.38Å; E81-R260 IonicContact OE1-NH2 2.77Å; E81-R260 PolarHBondContact OE1-NH2 3.41Å; E81-R260 IonicContact OE2-CZ 3.53Å; E81-R260 IonicContact OE2-NE 2.97Å; E81-R260 PolarHBondContact OE2-NE 3.22Å; E81-R260 VanDerWaalsContact OE2-NE 3.15Å; E81-R260 IonicContact OE2-NH2 2.68Å; E81-R260 PolarHBondContact OE2-NH2 3.47Å; M256-R260 VanDerWaalsContact O-CG 3.3Å; M256-R260 WeakPolarHBondContact O-CG 3.33Å; M256-R260 PolarHBondContact O-N 2.88Å; L257-R260 PolarHBondContact O-N 3.09Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R260-N262 VanDerWaalsContact C-N 3.26Å; R260-N262 PolarHBondContact O-N 3.08Å; R260-L263 PolarHBondContact O-N 3.08Å; R260-D264 PolarHBondContact O-N 2.91Å |
| 261 | I | 84.2 | Confident | 80.2 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.6 | -65 | 158.8 | 0 | 0 | 0 | 110.7 | W217 L257 R258 S265 L300 L304 | W217-I261 HydrophobicContact CB-CG1 4.37Å; W217-I261 HydrophobicContact CD2-CG1 3.67Å; W217-I261 HydrophobicContact CE3-CG1 3.89Å; W217-I261 HydrophobicContact CG-CG1 3.92Å; W217-I261 HydrophobicContact CZ2-CG1 4.47Å; W217-I261 HydrophobicContact CZ3-CG1 4.44Å; L257-I261 HydrophobicContact CD1-CD1 4.17Å; L257-I261 HydrophobicContact CG-CD1 3.97Å; L257-I261 WeakPolarHBondContact O-CD1 3.49Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3Å; R258-I261 PolarHBondContact O-N 3.37Å; I261-S265 WeakPolarHBondContact O-CA 3.09Å; I261-S265 VanDerWaalsContact O-CB 3.26Å; I261-S265 WeakPolarHBondContact O-CB 3.41Å; I261-S265 PolarHBondContact O-N 3.34Å; I261-L300 HydrophobicContact CD1-CD2 3.49Å; I261-L300 VanDerWaalsContact CD1-CD2 3.49Å; I261-L300 HydrophobicContact CD1-CG 4.14Å; I261-L300 HydrophobicContact CG1-CD2 3.98Å; I261-L300 HydrophobicContact CG2-CD2 4.3Å; I261-L304 HydrophobicContact CD1-CD1 4.43Å |
| 262 | N | 81.2 | Confident | 79.8 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.1 | -31.3 | -177.2 | -78.2 | -1 | 0 | 0 | 0 | 114.4 | R258 H259 R260 D264 S265 | R258-N262 VanDerWaalsContact O-CB 3.25Å; R258-N262 WeakPolarHBondContact O-CB 3.43Å; R258-N262 PolarHBondContact O-N 3.1Å; H259-N262 PolarHBondContact O-N 3.45Å; R260-N262 VanDerWaalsContact C-N 3.26Å; R260-N262 PolarHBondContact O-N 3.08Å; N262-D264 VanDerWaalsContact C-N 3.28Å; N262-S265 VanDerWaalsContact O-CB 3.3Å; N262-S265 WeakPolarHBondContact O-CB 3.29Å; N262-S265 PolarHBondContact O-N 3.43Å |
| 263 | L | 76.5 | Confident | 79.5 | Confident | 106 Ų | 106 | 62.6 Ų | 62.6 | 56% | 0.555 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | 172.6 | -80.3 | 177.8 | 0 | 0 | 0 | 110.6 | H259 R260 S265 | H259-L263 VanDerWaalsContact NE2-CD1 3.33Å; H259-L263 WeakPolarHBondContact NE2-CD1 3.5Å; H259-L263 WeakPolarHBondContact O-CB 3.39Å; H259-L263 WeakPolarHBondContact O-CG 3.45Å; H259-L263 PolarHBondContact O-N 3.45Å; R260-L263 PolarHBondContact O-N 3.08Å; L263-S265 VanDerWaalsContact C-N 3.27Å |
| 264 | D | 70.9 | Confident | 79.4 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -80.2 | -13.6 | 174.7 | -66.3 | -3.6 | 0 | 0 | 0 | 111.1 | W217 R260 N262 D266 L267 | W217-D264 HydrophobicContact CH2-CB 3.53Å; W217-D264 WeakPolarHBondContact CH2-OD2 3.11Å; W217-D264 HydrophobicContact CZ2-CB 4.04Å; W217-D264 WeakPolarHBondContact CZ2-OD2 3.33Å; R260-D264 PolarHBondContact O-N 2.91Å; N262-D264 VanDerWaalsContact C-N 3.28Å; D264-D266 PolarHBondContact O-N 3.27Å; D264-D266 VanDerWaalsContact O-N 3.15Å; D264-L267 WeakPolarHBondContact O-CB 3.46Å; D264-L267 PolarHBondContact O-N 3.43Å |
| 265 | S | 53.9 | Low | 79.1 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -70.5 | -1.5 | -175.2 | -176.9 | 0 | 0 | 0 | 0 | 115.7 | I261 N262 L263 L267 L268 | I261-S265 WeakPolarHBondContact O-CA 3.09Å; I261-S265 VanDerWaalsContact O-CB 3.26Å; I261-S265 WeakPolarHBondContact O-CB 3.41Å; I261-S265 PolarHBondContact O-N 3.34Å; N262-S265 VanDerWaalsContact O-CB 3.3Å; N262-S265 WeakPolarHBondContact O-CB 3.29Å; N262-S265 PolarHBondContact O-N 3.43Å; L263-S265 VanDerWaalsContact C-N 3.27Å; S265-L267 PolarHBondContact O-N 3.49Å; S265-L268 PolarHBondContact O-N 2.96Å; S265-L268 VanDerWaalsContact O-N 3.16Å |
| 266 | D | 60.5 | Low | 78.9 | Confident | 139 Ų | 139 | 71.8 Ų | 71.8 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -52.2 | -16.8 | 155 | -79.9 | -10.5 | 0 | 0 | 0 | 110.3 | D264 L268 D269 | D264-D266 PolarHBondContact O-N 3.27Å; D264-D266 VanDerWaalsContact O-N 3.15Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.14Å; D266-D269 PolarHBondContact O-N 3.22Å |
| 267 | L | 54.8 | Low | 78.8 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -48.6 | -26.2 | 166.4 | 174.9 | 58.8 | 0 | 0 | 0 | 118.3 | Y210 D264 S265 D269 F288 I297 | Y210-L267 HydrophobicContact CD1-CD1 3.32Å; Y210-L267 HydrophobicContact CD1-CD2 3.67Å; Y210-L267 HydrophobicContact CD1-CG 4.05Å; Y210-L267 HydrophobicContact CD2-CD1 3.3Å; Y210-L267 HydrophobicContact CE1-CB 4.33Å; Y210-L267 HydrophobicContact CE1-CD1 3.51Å; Y210-L267 HydrophobicContact CE1-CD2 4.19Å; Y210-L267 HydrophobicContact CE1-CG 4.24Å; Y210-L267 HydrophobicContact CE2-CD1 3.48Å; Y210-L267 VanDerWaalsContact CE2-CD1 3.48Å; Y210-L267 HydrophobicContact CG-CD1 3.19Å; Y210-L267 HydrophobicContact CG-CD2 4.09Å; Y210-L267 HydrophobicContact CG-CG 4.27Å; D264-L267 WeakPolarHBondContact O-CB 3.46Å; D264-L267 PolarHBondContact O-N 3.43Å; S265-L267 PolarHBondContact O-N 3.49Å; L267-D269 VanDerWaalsContact C-N 3.25Å; L267-F288 HydrophobicContact CD1-CE2 3.79Å; L267-F288 HydrophobicContact CG-CE2 4.44Å; L267-I297 HydrophobicContact CD2-CD1 3.75Å; L267-I297 HydrophobicContact CG-CD1 4.06Å |
| 268 | L | 60.4 | Low | 78.8 | Confident | 95 Ų | 95 | 75.8 Ų | 75.8 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -75.1 | -22 | 178.8 | -76.1 | 174.9 | 0 | 0 | 0 | 112.5 | S265 D266 I297 | S265-L268 PolarHBondContact O-N 2.96Å; S265-L268 VanDerWaalsContact O-N 3.16Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.14Å; L268-I297 HydrophobicContact CD2-CD1 3.9Å; L268-I297 HydrophobicContact CD2-CG2 4.31Å |
| 269 | D | 72.6 | Confident | 78.8 | Confident | 121 Ų | 121 | 75.2 Ų | 75.2 | 65% | 0.647 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -94.2 | 143.9 | 177.4 | -66.2 | -30.4 | 0 | 0 | 0 | 109.6 | D266 L267 P271 | D266-D269 PolarHBondContact O-N 3.22Å; L267-D269 VanDerWaalsContact C-N 3.25Å; D269-P271 VanDerWaalsContact O-CD 3.25Å; D269-P271 WeakPolarHBondContact O-CD 3.32Å |
| 270 | T | 78.3 | Confident | 79 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -59 | 121.2 | 171.6 | -57.7 | 0 | 0 | 0 | 0 | 108.4 | D272 Y274 W275 E281 | T270-D272 PolarHBondContact O-N 3.1Å; T270-Y274 HydrophobicContact CG2-CD2 4.01Å; T270-Y274 HydrophobicContact CG2-CG 4.3Å; T270-W275 PolarHBondContact O-NE1 3.02Å; T270-E281 HydrophobicContact CG2-CG 3.96Å |
| 271 | P | 83 | Confident | 79.3 | Confident | 35 Ų | 35 | 71.5 Ų | 71.5 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 139.4 | 179.5 | -28.4 | 35.6 | 0 | 0 | 0 | 112.3 | D269 F273 Y274 | D269-P271 VanDerWaalsContact O-CD 3.25Å; D269-P271 WeakPolarHBondContact O-CD 3.32Å; P271-F273 PolarHBondContact O-N 3.31Å; P271-Y274 HydrophobicContact CB-CD2 3.79Å; P271-Y274 HydrophobicContact CB-CE2 3.82Å; P271-Y274 HydrophobicContact CG-CD2 4.01Å; P271-Y274 HydrophobicContact CG-CE2 3.74Å; P271-Y274 WeakPolarHBondContact O-CD2 3.04Å; P271-Y274 PolarHBondContact O-N 2.92Å |
| 272 | D | 84.8 | Confident | 79.8 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 58% | 0.583 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -51.3 | -30.7 | -176.7 | -63.3 | 5.8 | 0 | 0 | 0 | 113.3 | T270 Y274 W275 | T270-D272 PolarHBondContact O-N 3.1Å; D272-Y274 PolarHBondContact O-N 3.43Å; D272-W275 HydrophobicContact CB-CD2 4.29Å; D272-W275 HydrophobicContact CB-CE3 4.34Å; D272-W275 HydrophobicContact CB-CZ3 4.47Å; D272-W275 WeakPolarHBondContact O-CB 3.32Å; D272-W275 PolarHBondContact O-N 2.89Å; D272-W275 WeakPolarHBondContact OD1-CH2 3.36Å; D272-W275 WeakPolarHBondContact OD1-CZ2 3.43Å |
| 273 | F | 87.5 | Confident | 80.3 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 13% | 0.132 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -51.9 | -28.2 | 175.8 | 177.5 | -102.3 | 0 | 0 | 0 | 114 | E106 L107 L199 Y202 P271 K277 L280 | E106-F273 HydrophobicContact CB-CD2 4.24Å; E106-F273 HydrophobicContact CB-CE2 4.3Å; E106-F273 WeakPolarHBondContact OE2-CD2 3.31Å; E106-F273 VanDerWaalsContact OE2-CE2 3.3Å; E106-F273 WeakPolarHBondContact OE2-CE2 3.36Å; L107-F273 HydrophobicContact CD1-CD2 4.45Å; L107-F273 HydrophobicContact CD1-CE1 4.15Å; L107-F273 HydrophobicContact CD1-CE2 3.77Å; L107-F273 HydrophobicContact CD1-CZ 3.59Å; L107-F273 HydrophobicContact CD2-CD1 4.29Å; L107-F273 HydrophobicContact CD2-CD2 3.6Å; L107-F273 HydrophobicContact CD2-CE1 4.44Å; L107-F273 HydrophobicContact CD2-CE2 3.76Å; L107-F273 HydrophobicContact CD2-CG 3.87Å; L107-F273 HydrophobicContact CD2-CZ 4.19Å; L107-F273 HydrophobicContact CG-CD2 3.96Å; L107-F273 HydrophobicContact CG-CE2 3.6Å; L107-F273 HydrophobicContact CG-CZ 3.98Å; L199-F273 HydrophobicContact CD2-CZ 4.01Å; Y202-F273 AromaticContact CD1-CE1 3.97Å; Y202-F273 HydrophobicContact CD1-CE1 3.97Å; Y202-F273 AromaticContact CE1-CD1 3.9Å; Y202-F273 HydrophobicContact CE1-CD1 3.9Å; Y202-F273 AromaticContact CE1-CE1 3.67Å; Y202-F273 HydrophobicContact CE1-CE1 3.67Å; Y202-F273 HydrophobicContact CE1-CZ 4.41Å; P271-F273 PolarHBondContact O-N 3.31Å; F273-K277 HydrophobicContact CZ-CD 4.44Å; F273-L280 HydrophobicContact CD1-CD2 4.39Å; F273-L280 HydrophobicContact CE1-CD2 3.66Å; F273-L280 HydrophobicContact CZ-CD2 4.48Å |
| 274 | Y | 89.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -90.8 | -13 | -178 | -57.8 | -70.2 | 0 | 0 | 0 | 113.8 | A203 N206 T270 P271 D272 D276 K277 L280 Y284 | A203-Y274 HydrophobicContact CB-CE1 3.97Å; N206-Y274 PolarHBondContact ND2-OH 3.24Å; T270-Y274 HydrophobicContact CG2-CD2 4.01Å; T270-Y274 HydrophobicContact CG2-CG 4.3Å; P271-Y274 HydrophobicContact CB-CD2 3.79Å; P271-Y274 HydrophobicContact CB-CE2 3.82Å; P271-Y274 HydrophobicContact CG-CD2 4.01Å; P271-Y274 HydrophobicContact CG-CE2 3.74Å; P271-Y274 WeakPolarHBondContact O-CD2 3.04Å; P271-Y274 PolarHBondContact O-N 2.92Å; D272-Y274 PolarHBondContact O-N 3.43Å; Y274-D276 VanDerWaalsContact C-N 3.31Å; Y274-D276 PolarHBondContact O-N 3.5Å; Y274-K277 CarbonylContact O-C 3.57Å; Y274-K277 PolarHBondContact O-N 2.85Å; Y274-L280 HydrophobicContact CD1-CB 4.16Å; Y274-L280 HydrophobicContact CD1-CD2 3.71Å; Y274-L280 HydrophobicContact CD1-CG 3.71Å; Y274-L280 HydrophobicContact CE1-CD2 3.7Å; Y274-L280 HydrophobicContact CE1-CG 3.73Å; Y274-Y284 HydrophobicContact CD2-CD1 4.49Å; Y274-Y284 HydrophobicContact CE2-CD1 4.28Å; Y274-Y284 HydrophobicContact CE2-CD2 4.02Å; Y274-Y284 HydrophobicContact CE2-CE2 4.27Å; Y274-Y284 HydrophobicContact CE2-CG 4.02Å; Y274-Y284 AromaticContact CZ-CD2 3.87Å |
| 275 | W | 86.4 | Confident | 82.1 | Confident | 163 Ų | 163 | 69.1 Ų | 69.1 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -35.4 | -171.3 | -69.6 | -2.9 | 0 | 0 | 0 | 113.9 | T270 D272 K277 | T270-W275 PolarHBondContact O-NE1 3.02Å; D272-W275 HydrophobicContact CB-CD2 4.29Å; D272-W275 HydrophobicContact CB-CE3 4.34Å; D272-W275 HydrophobicContact CB-CZ3 4.47Å; D272-W275 WeakPolarHBondContact O-CB 3.32Å; D272-W275 PolarHBondContact O-N 2.89Å; D272-W275 WeakPolarHBondContact OD1-CH2 3.36Å; D272-W275 WeakPolarHBondContact OD1-CZ2 3.43Å; W275-K277 VanDerWaalsContact C-N 3.31Å |
| 276 | D | 87.6 | Confident | 84 | Confident | 159 Ų | 159 | 70.7 Ų | 70.7 | 85% | 0.85 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 2.4 | 177.8 | -62.3 | -41.9 | 0 | 0 | 0 | 112.8 | Y274 | Y274-D276 VanDerWaalsContact C-N 3.31Å; Y274-D276 PolarHBondContact O-N 3.5Å |
| 277 | K | 89.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 64 Ų | 64 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | trans | -130.7 | 73 | -168.9 | -62.2 | 173.1 | -169.2 | 150.7 | 0 | 111 | E106 F273 Y274 W275 E279 L280 E281 | E106-K277 IonicContact OE2-NZ 3.01Å; E106-K277 PolarHBondContact OE2-NZ 3.03Å; E106-K277 VanDerWaalsContact OE2-NZ 3.15Å; F273-K277 HydrophobicContact CZ-CD 4.44Å; Y274-K277 CarbonylContact O-C 3.57Å; Y274-K277 PolarHBondContact O-N 2.85Å; W275-K277 VanDerWaalsContact C-N 3.31Å; K277-E279 VanDerWaalsContact C-N 3.33Å; K277-E279 PolarHBondContact O-N 3.41Å; K277-L280 HydrophobicContact CB-CB 3.9Å; K277-L280 HydrophobicContact CD-CD2 4.13Å; K277-L280 WeakPolarHBondContact O-CB 3.34Å; K277-L280 PolarHBondContact O-N 3.42Å; K277-E281 PolarHBondContact O-N 2.79Å | ||
| 278 | E | 89.8 | Confident | 87.2 | Confident | 125 Ų | 125 | 65.4 Ų | 65.4 | 58% | 0.584 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -54.5 | -41.3 | -174.8 | -170.4 | -171.8 | 172.1 | 0 | 0 | 113.9 | L280 K282 | E278-L280 VanDerWaalsContact C-N 3.29Å; E278-L280 PolarHBondContact O-N 3.44Å; E278-K282 HydrophobicContact CG-CD 4.45Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 3.12Å; E278-K282 VanDerWaalsContact O-N 3.1Å; E278-K282 VanDerWaalsContact OE1-CE 3.25Å; E278-K282 WeakPolarHBondContact OE1-CE 3.21Å; E278-K282 IonicContact OE1-NZ 2.8Å; E278-K282 PolarHBondContact OE1-NZ 2.54Å |
| 279 | E | 90.1 | Very high | 88.7 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.6 | -64.6 | -167.8 | 166.8 | 0 | 0 | 111.6 | R178 R189 K277 L283 | R178-E279 IonicContact CZ-OE1 3.15Å; R178-E279 IonicContact NE-OE1 3.13Å; R178-E279 PolarHBondContact NE-OE1 2.94Å; R178-E279 IonicContact NH2-OE1 2.63Å; R178-E279 PolarHBondContact NH2-OE1 3.48Å; R189-E279 IonicContact NH2-OE2 3.3Å; R189-E279 PolarHBondContact NH2-OE2 2.8Å; R189-E279 VanDerWaalsContact NH2-OE2 3.15Å; K277-E279 VanDerWaalsContact C-N 3.33Å; K277-E279 PolarHBondContact O-N 3.41Å; E279-L283 PolarHBondContact O-N 2.79Å; E279-L283 VanDerWaalsContact O-N 3.14Å |
| 280 | L | 92 | Very high | 89.6 | Confident | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76 | -38.5 | -177 | -162.1 | 65.3 | 0 | 0 | 0 | 111.7 | L199 A203 F273 Y274 K277 E278 K282 L283 Y284 | L199-L280 HydrophobicContact CB-CD1 4.36Å; L199-L280 HydrophobicContact CB-CD2 4.3Å; L199-L280 WeakPolarHBondContact O-CD1 3.27Å; A203-L280 HydrophobicContact CB-CD1 3.47Å; A203-L280 VanDerWaalsContact CB-CD1 3.47Å; A203-L280 HydrophobicContact CB-CG 3.85Å; F273-L280 HydrophobicContact CD1-CD2 4.39Å; F273-L280 HydrophobicContact CE1-CD2 3.66Å; F273-L280 HydrophobicContact CZ-CD2 4.48Å; Y274-L280 HydrophobicContact CD1-CB 4.16Å; Y274-L280 HydrophobicContact CD1-CD2 3.71Å; Y274-L280 HydrophobicContact CD1-CG 3.71Å; Y274-L280 HydrophobicContact CE1-CD2 3.7Å; Y274-L280 HydrophobicContact CE1-CG 3.73Å; K277-L280 HydrophobicContact CB-CB 3.9Å; K277-L280 HydrophobicContact CD-CD2 4.13Å; K277-L280 WeakPolarHBondContact O-CB 3.34Å; K277-L280 PolarHBondContact O-N 3.42Å; E278-L280 VanDerWaalsContact C-N 3.29Å; E278-L280 PolarHBondContact O-N 3.44Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.32Å; L280-L283 PolarHBondContact O-N 2.85Å; L280-Y284 WeakPolarHBondContact O-CB 3.5Å; L280-Y284 PolarHBondContact O-N 3.42Å |
| 281 | E | 92.4 | Very high | 90.2 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 172.1 | -179.3 | 176.5 | -164.9 | 0 | 0 | 111.3 | T270 K277 Y284 S285 | T270-E281 HydrophobicContact CG2-CG 3.96Å; K277-E281 PolarHBondContact O-N 2.79Å; E281-Y284 PolarHBondContact O-N 2.97Å; E281-S285 VanDerWaalsContact O-CB 3.29Å; E281-S285 WeakPolarHBondContact O-CB 3.35Å; E281-S285 PolarHBondContact O-N 3.17Å; E281-S285 PolarHBondContact O-OG 3.02Å |
| 282 | K | 93.1 | Very high | 90.6 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 176.7 | -74.3 | 172.7 | -175.6 | 168.9 | 0 | 111.2 | E278 L280 S285 V286 | E278-K282 HydrophobicContact CG-CD 4.45Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 3.12Å; E278-K282 VanDerWaalsContact O-N 3.1Å; E278-K282 VanDerWaalsContact OE1-CE 3.25Å; E278-K282 WeakPolarHBondContact OE1-CE 3.21Å; E278-K282 IonicContact OE1-NZ 2.8Å; E278-K282 PolarHBondContact OE1-NZ 2.54Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.32Å; K282-S285 PolarHBondContact O-N 2.87Å; K282-V286 VanDerWaalsContact O-CG2 3.31Å; K282-V286 WeakPolarHBondContact O-CG2 3.41Å; K282-V286 PolarHBondContact O-N 3.32Å |
| 283 | L | 93.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 178.8 | -173.6 | 67 | 0 | 0 | 0 | 111.5 | F181 L186 D200 V204 E279 L280 V286 A287 | F181-L283 HydrophobicContact CD2-CD1 3.77Å; F181-L283 HydrophobicContact CE2-CD1 3.58Å; F181-L283 HydrophobicContact CE2-CG 4.26Å; L186-L283 HydrophobicContact CD1-CD1 4.11Å; D200-L283 HydrophobicContact CB-CD2 3.75Å; V204-L283 HydrophobicContact CG2-CD2 4.09Å; V204-L283 HydrophobicContact CG2-CG 4.15Å; E279-L283 PolarHBondContact O-N 2.79Å; E279-L283 VanDerWaalsContact O-N 3.14Å; L280-L283 PolarHBondContact O-N 2.85Å; L283-V286 PolarHBondContact O-N 3.38Å; L283-A287 WeakPolarHBondContact O-CB 3.5Å; L283-A287 PolarHBondContact O-N 2.86Å |
| 284 | Y | 92.9 | Very high | 91 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 175.5 | 176.4 | -99.6 | 0 | 0 | 0 | 111.5 | N206 A207 Y274 L280 E281 V286 A287 F288 | N206-Y284 HydrophobicContact CB-CE2 4.35Å; A207-Y284 HydrophobicContact CB-CD2 4.16Å; A207-Y284 HydrophobicContact CB-CE2 4.05Å; Y274-Y284 HydrophobicContact CD2-CD1 4.49Å; Y274-Y284 HydrophobicContact CE2-CD1 4.28Å; Y274-Y284 HydrophobicContact CE2-CD2 4.02Å; Y274-Y284 HydrophobicContact CE2-CE2 4.27Å; Y274-Y284 HydrophobicContact CE2-CG 4.02Å; Y274-Y284 AromaticContact CZ-CD2 3.87Å; L280-Y284 WeakPolarHBondContact O-CB 3.5Å; L280-Y284 PolarHBondContact O-N 3.42Å; E281-Y284 PolarHBondContact O-N 2.97Å; Y284-V286 VanDerWaalsContact C-N 3.33Å; Y284-V286 PolarHBondContact O-N 2.97Å; Y284-A287 WeakPolarHBondContact O-CB 3.31Å; Y284-A287 PolarHBondContact O-N 3.1Å; Y284-F288 HydrophobicContact CE1-CD2 4.16Å; Y284-F288 AromaticContact CZ-CD2 3.95Å; Y284-F288 VanDerWaalsContact O-CB 3.3Å; Y284-F288 WeakPolarHBondContact O-CB 3.29Å; Y284-F288 PolarHBondContact O-N 3.18Å |
| 285 | S | 91.9 | Very high | 91 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | -179.5 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | E281 K282 F288 S289 | E281-S285 VanDerWaalsContact O-CB 3.29Å; E281-S285 WeakPolarHBondContact O-CB 3.35Å; E281-S285 PolarHBondContact O-N 3.17Å; E281-S285 PolarHBondContact O-OG 3.02Å; K282-S285 PolarHBondContact O-N 2.87Å; S285-F288 PolarHBondContact O-N 3.29Å; S285-S289 PolarHBondContact O-N 3.43Å |
| 286 | V | 93.3 | Very high | 91.3 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 177 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | F181 K282 L283 Y284 F288 S289 L290 | F181-V286 HydrophobicContact CB-CG1 3.67Å; F181-V286 HydrophobicContact CD2-CB 4.04Å; F181-V286 HydrophobicContact CD2-CG1 3.64Å; F181-V286 HydrophobicContact CG-CG1 3.89Å; K282-V286 VanDerWaalsContact O-CG2 3.31Å; K282-V286 WeakPolarHBondContact O-CG2 3.41Å; K282-V286 PolarHBondContact O-N 3.32Å; L283-V286 PolarHBondContact O-N 3.38Å; Y284-V286 VanDerWaalsContact C-N 3.33Å; Y284-V286 PolarHBondContact O-N 2.97Å; V286-F288 VanDerWaalsContact C-N 3.33Å; V286-F288 PolarHBondContact O-N 3.34Å; V286-S289 PolarHBondContact O-N 2.76Å; V286-S289 PolarHBondContact O-OG 2.77Å; V286-L290 WeakPolarHBondContact O-CB 3.38Å; V286-L290 PolarHBondContact O-N 3.23Å |
| 287 | A | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F181 A207 L283 Y284 S289 L290 F291 | F181-A287 HydrophobicContact CE2-CB 3.74Å; F181-A287 HydrophobicContact CZ-CB 3.76Å; A207-A287 HydrophobicContact CB-CB 3.68Å; L283-A287 WeakPolarHBondContact O-CB 3.5Å; L283-A287 PolarHBondContact O-N 2.86Å; Y284-A287 WeakPolarHBondContact O-CB 3.31Å; Y284-A287 PolarHBondContact O-N 3.1Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 2.7Å; A287-L290 WeakPolarHBondContact O-CB 3.36Å; A287-L290 PolarHBondContact O-N 3.2Å; A287-L290 VanDerWaalsContact O-N 3.08Å; A287-F291 HydrophobicContact CB-CE2 4.28Å; A287-F291 WeakPolarHBondContact O-CD2 3.4Å; A287-F291 PolarHBondContact O-N 3.27Å; A287-F291 VanDerWaalsContact O-N 3.08Å |
| 288 | F | 91 | Very high | 91.4 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.9 | -168.2 | -84.7 | 0 | 0 | 0 | 112.2 | L267 Y284 S285 V286 N292 I293 | L267-F288 HydrophobicContact CD1-CE2 3.79Å; L267-F288 HydrophobicContact CG-CE2 4.44Å; Y284-F288 HydrophobicContact CE1-CD2 4.16Å; Y284-F288 AromaticContact CZ-CD2 3.95Å; Y284-F288 VanDerWaalsContact O-CB 3.3Å; Y284-F288 WeakPolarHBondContact O-CB 3.29Å; Y284-F288 PolarHBondContact O-N 3.18Å; S285-F288 PolarHBondContact O-N 3.29Å; V286-F288 VanDerWaalsContact C-N 3.33Å; V286-F288 PolarHBondContact O-N 3.34Å; F288-N292 PolarHBondContact O-N 3.15Å; F288-I293 HydrophobicContact CD1-CB 4.03Å; F288-I293 HydrophobicContact CD2-CB 4.05Å; F288-I293 HydrophobicContact CD2-CD1 3.62Å; F288-I293 HydrophobicContact CD2-CG1 4.36Å; F288-I293 HydrophobicContact CD2-CG2 4.21Å; F288-I293 HydrophobicContact CE1-CB 3.75Å; F288-I293 HydrophobicContact CE1-CG2 4.06Å; F288-I293 HydrophobicContact CE2-CB 3.77Å; F288-I293 HydrophobicContact CE2-CD1 3.96Å; F288-I293 HydrophobicContact CE2-CG1 4.45Å; F288-I293 HydrophobicContact CE2-CG2 3.49Å; F288-I293 VanDerWaalsContact CE2-CG2 3.49Å; F288-I293 HydrophobicContact CG-CB 4.17Å; F288-I293 HydrophobicContact CG-CD1 4.05Å; F288-I293 HydrophobicContact CZ-CB 3.61Å; F288-I293 HydrophobicContact CZ-CG2 3.41Å; F288-I293 VanDerWaalsContact CZ-CG2 3.41Å; F288-I293 PolarHBondContact O-N 3.04Å |
| 289 | S | 91.2 | Very high | 91.5 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 174 | 95.8 | 0 | 0 | 0 | 0 | 112.6 | S285 V286 A287 F291 N292 | S285-S289 PolarHBondContact O-N 3.43Å; V286-S289 PolarHBondContact O-N 2.76Å; V286-S289 PolarHBondContact O-OG 2.77Å; A287-S289 VanDerWaalsContact C-N 3.29Å; A287-S289 PolarHBondContact O-N 2.7Å; S289-F291 VanDerWaalsContact C-N 3.35Å; S289-F291 PolarHBondContact O-N 3.48Å; S289-N292 WeakPolarHBondContact O-CA 3.29Å; S289-N292 PolarHBondContact O-N 3.38Å |
| 290 | L | 91.9 | Very high | 91.5 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | -178.6 | 178.9 | 66.8 | 0 | 0 | 0 | 110.8 | L169 F181 C183 E184 V286 A287 N292 | L169-L290 HydrophobicContact CD1-CD2 3.98Å; F181-L290 HydrophobicContact CD1-CD2 3.83Å; F181-L290 HydrophobicContact CE1-CD2 3.72Å; C183-L290 WeakPolarHBondContact O-CD1 3.41Å; E184-L290 HydrophobicContact CG-CD1 4.18Å; V286-L290 WeakPolarHBondContact O-CB 3.38Å; V286-L290 PolarHBondContact O-N 3.23Å; A287-L290 WeakPolarHBondContact O-CB 3.36Å; A287-L290 PolarHBondContact O-N 3.2Å; A287-L290 VanDerWaalsContact O-N 3.08Å; L290-N292 PolarHBondContact O-N 2.89Å; L290-N292 PolarHBondContact O-ND2 3.32Å |
| 291 | F | 91.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 1.7 | 174.7 | -59.7 | -64.2 | 0 | 0 | 0 | 113.4 | R58 L169 A207 M208 A287 S289 I293 R296 | R58-F291 VanDerWaalsContact NH1-CE1 3.3Å; L169-F291 HydrophobicContact CD2-CZ 4.34Å; A207-F291 HydrophobicContact CB-CD2 4.25Å; A207-F291 HydrophobicContact CB-CE2 4.28Å; M208-F291 HydrophobicContact CB-CZ 4.48Å; M208-F291 HydrophobicContact CG-CE1 4.07Å; M208-F291 HydrophobicContact CG-CE2 3.55Å; M208-F291 HydrophobicContact CG-CZ 3.27Å; M208-F291 HydrophobicContact SD-CZ 4.13Å; A287-F291 HydrophobicContact CB-CE2 4.28Å; A287-F291 WeakPolarHBondContact O-CD2 3.4Å; A287-F291 PolarHBondContact O-N 3.27Å; A287-F291 VanDerWaalsContact O-N 3.08Å; S289-F291 VanDerWaalsContact C-N 3.35Å; S289-F291 PolarHBondContact O-N 3.48Å; F291-I293 HydrophobicContact CB-CD1 4Å; F291-I293 HydrophobicContact CB-CG1 3.66Å; F291-I293 PolarHBondContact O-N 3.36Å; F291-I293 VanDerWaalsContact O-N 3.14Å; F291-R296 WeakPolarHBondContact O-CD 3.38Å |
| 292 | N | 91.3 | Very high | 91.5 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33 | -178.1 | -72.6 | -78.2 | 0 | 0 | 0 | 113.9 | F288 S289 L290 G294 K295 R296 | F288-N292 PolarHBondContact O-N 3.15Å; S289-N292 WeakPolarHBondContact O-CA 3.29Å; S289-N292 PolarHBondContact O-N 3.38Å; L290-N292 PolarHBondContact O-N 2.89Å; L290-N292 PolarHBondContact O-ND2 3.32Å; N292-G294 PolarHBondContact O-N 2.92Å; N292-K295 PolarHBondContact O-N 3.42Å; N292-K295 VanDerWaalsContact O-N 3.09Å; N292-K295 PolarHBondContact OD1-NZ 2.88Å; N292-R296 WeakPolarHBondContact O-CG 3.42Å; N292-R296 PolarHBondContact O-N 2.86Å |
| 293 | I | 90.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | -169.3 | -59.8 | 175.1 | 0 | 0 | 0 | 110.8 | A207 L214 F288 F291 K295 R296 I297 | A207-I293 WeakPolarHBondContact O-CD1 3.48Å; L214-I293 HydrophobicContact CD2-CG2 4.15Å; F288-I293 HydrophobicContact CD1-CB 4.03Å; F288-I293 HydrophobicContact CD2-CB 4.05Å; F288-I293 HydrophobicContact CD2-CD1 3.62Å; F288-I293 HydrophobicContact CD2-CG1 4.36Å; F288-I293 HydrophobicContact CD2-CG2 4.21Å; F288-I293 HydrophobicContact CE1-CB 3.75Å; F288-I293 HydrophobicContact CE1-CG2 4.06Å; F288-I293 HydrophobicContact CE2-CB 3.77Å; F288-I293 HydrophobicContact CE2-CD1 3.96Å; F288-I293 HydrophobicContact CE2-CG1 4.45Å; F288-I293 HydrophobicContact CE2-CG2 3.49Å; F288-I293 VanDerWaalsContact CE2-CG2 3.49Å; F288-I293 HydrophobicContact CG-CB 4.17Å; F288-I293 HydrophobicContact CG-CD1 4.05Å; F288-I293 HydrophobicContact CZ-CB 3.61Å; F288-I293 HydrophobicContact CZ-CG2 3.41Å; F288-I293 VanDerWaalsContact CZ-CG2 3.41Å; F288-I293 PolarHBondContact O-N 3.04Å; F291-I293 HydrophobicContact CB-CD1 4Å; F291-I293 HydrophobicContact CB-CG1 3.66Å; F291-I293 PolarHBondContact O-N 3.36Å; F291-I293 VanDerWaalsContact O-N 3.14Å; I293-K295 VanDerWaalsContact C-N 3.33Å; I293-K295 PolarHBondContact O-N 2.87Å; I293-R296 PolarHBondContact O-N 2.86Å; I293-I297 HydrophobicContact CG2-CD1 3.73Å; I293-I297 HydrophobicContact CG2-CG1 4.3Å; I293-I297 WeakPolarHBondContact O-CG1 3.5Å; I293-I297 PolarHBondContact O-N 2.75Å |
| 294 | G | 88.7 | Confident | 91.5 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N292 K298 | N292-G294 PolarHBondContact O-N 2.92Å; G294-K298 WeakPolarHBondContact O-CG 3.47Å; G294-K298 PolarHBondContact O-N 2.83Å |
| 295 | K | 90.7 | Very high | 91.6 | Very high | 140 Ų | 140 | 50.7 Ų | 50.7 | 61% | 0.609 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -71 | -42.6 | 175.9 | -66.8 | 178.1 | -169.9 | 155.7 | 0 | 111 | N292 I293 K298 V299 | N292-K295 PolarHBondContact O-N 3.42Å; N292-K295 VanDerWaalsContact O-N 3.09Å; N292-K295 PolarHBondContact OD1-NZ 2.88Å; I293-K295 VanDerWaalsContact C-N 3.33Å; I293-K295 PolarHBondContact O-N 2.87Å; K295-K298 WeakPolarHBondContact O-CB 3.25Å; K295-K298 PolarHBondContact O-N 3.15Å; K295-V299 WeakPolarHBondContact O-CG2 3.4Å; K295-V299 PolarHBondContact O-N 3.2Å; K295-V299 VanDerWaalsContact O-N 3.07Å |
| 296 | R | 92.3 | Very high | 91.6 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 178.5 | -72 | 174.1 | 67 | -167.8 | 3.9 | 111.6 | S211 L214 S215 E218 F291 N292 I293 K298 V299 L300 | S211-R296 PolarHBondContact O-NH1 3.02Å; S211-R296 VanDerWaalsContact O-NH1 3.12Å; S211-R296 PolarHBondContact O-NH2 3.16Å; S211-R296 PolarHBondContact OG-NH1 3.3Å; L214-R296 HydrophobicContact CD2-CB 3.32Å; L214-R296 HydrophobicContact CD2-CG 4.32Å; L214-R296 HydrophobicContact CG-CB 4.15Å; S215-R296 VanDerWaalsContact N-NH2 3.14Å; S215-R296 PolarHBondContact OG-NH2 2.95Å; E218-R296 WeakPolarHBondContact OE1-CB 3.28Å; E218-R296 IonicContact OE1-CZ 3.53Å; E218-R296 IonicContact OE1-NE 3.4Å; E218-R296 PolarHBondContact OE1-NE 2.65Å; E218-R296 IonicContact OE1-NH2 2.79Å; E218-R296 IonicContact OE2-CZ 2.93Å; E218-R296 IonicContact OE2-NE 3.68Å; E218-R296 PolarHBondContact OE2-NE 3.1Å; E218-R296 IonicContact OE2-NH2 3.79Å; E218-R296 PolarHBondContact OE2-NH2 3.24Å; F291-R296 WeakPolarHBondContact O-CD 3.38Å; N292-R296 WeakPolarHBondContact O-CG 3.42Å; N292-R296 PolarHBondContact O-N 2.86Å; I293-R296 PolarHBondContact O-N 2.86Å; R296-K298 VanDerWaalsContact C-N 3.34Å; R296-K298 PolarHBondContact O-N 2.9Å; R296-V299 PolarHBondContact O-N 2.76Å; R296-L300 WeakPolarHBondContact O-CB 3.45Å; R296-L300 PolarHBondContact O-N 2.57Å |
| 297 | I | 89 | Confident | 91.7 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 174.3 | -68.1 | 169.3 | 0 | 0 | 0 | 111.2 | L214 L267 L268 I293 V299 L300 N301 | L214-I297 HydrophobicContact CD1-CG1 4.25Å; L214-I297 HydrophobicContact CD2-CG1 3.96Å; L267-I297 HydrophobicContact CD2-CD1 3.75Å; L267-I297 HydrophobicContact CG-CD1 4.06Å; L268-I297 HydrophobicContact CD2-CD1 3.9Å; L268-I297 HydrophobicContact CD2-CG2 4.31Å; I293-I297 HydrophobicContact CG2-CD1 3.73Å; I293-I297 HydrophobicContact CG2-CG1 4.3Å; I293-I297 WeakPolarHBondContact O-CG1 3.5Å; I293-I297 PolarHBondContact O-N 2.75Å; I297-V299 PolarHBondContact O-N 3.41Å; I297-L300 PolarHBondContact O-N 3.17Å; I297-N301 WeakPolarHBondContact CG2-ND2 3.48Å; I297-N301 WeakPolarHBondContact O-CB 3.49Å; I297-N301 PolarHBondContact O-N 2.77Å; I297-N301 PolarHBondContact O-ND2 3.18Å |
| 298 | K | 89.6 | Confident | 91.7 | Very high | 159 Ų | 159 | 51.8 Ų | 51.8 | 69% | 0.691 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 177.4 | -74.1 | 175.6 | -178 | -177.6 | 0 | 112.2 | G294 K295 R296 N301 M302 | G294-K298 WeakPolarHBondContact O-CG 3.47Å; G294-K298 PolarHBondContact O-N 2.83Å; K295-K298 WeakPolarHBondContact O-CB 3.25Å; K295-K298 PolarHBondContact O-N 3.15Å; R296-K298 VanDerWaalsContact C-N 3.34Å; R296-K298 PolarHBondContact O-N 2.9Å; K298-N301 PolarHBondContact O-N 2.72Å; K298-M302 WeakPolarHBondContact O-CB 3.47Å; K298-M302 PolarHBondContact O-N 2.96Å |
| 299 | V | 91.9 | Very high | 91.9 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | K295 R296 I297 M302 R303 | K295-V299 WeakPolarHBondContact O-CG2 3.4Å; K295-V299 PolarHBondContact O-N 3.2Å; K295-V299 VanDerWaalsContact O-N 3.07Å; R296-V299 PolarHBondContact O-N 2.76Å; I297-V299 PolarHBondContact O-N 3.41Å; V299-M302 PolarHBondContact O-N 3.47Å; V299-R303 WeakPolarHBondContact O-CG 3.25Å; V299-R303 PolarHBondContact O-N 2.91Å |
| 300 | L | 91.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 177.2 | -170.2 | 76.2 | 0 | 0 | 0 | 111.2 | L214 W217 E218 L221 I261 R296 I297 M302 R303 L304 | L214-L300 HydrophobicContact CD1-CD2 3.68Å; W217-L300 HydrophobicContact CB-CD2 3.98Å; W217-L300 HydrophobicContact CE3-CD2 4.43Å; E218-L300 HydrophobicContact CB-CD1 4.43Å; E218-L300 HydrophobicContact CG-CD1 3.88Å; L221-L300 HydrophobicContact CB-CD1 4.09Å; L221-L300 HydrophobicContact CD2-CD1 3.52Å; L221-L300 HydrophobicContact CD2-CG 4.13Å; L221-L300 HydrophobicContact CG-CD1 4.46Å; I261-L300 HydrophobicContact CD1-CD2 3.49Å; I261-L300 VanDerWaalsContact CD1-CD2 3.49Å; I261-L300 HydrophobicContact CD1-CG 4.14Å; I261-L300 HydrophobicContact CG1-CD2 3.98Å; I261-L300 HydrophobicContact CG2-CD2 4.3Å; R296-L300 WeakPolarHBondContact O-CB 3.45Å; R296-L300 PolarHBondContact O-N 2.57Å; I297-L300 PolarHBondContact O-N 3.17Å; L300-M302 VanDerWaalsContact C-N 3.35Å; L300-M302 PolarHBondContact O-N 3.19Å; L300-R303 PolarHBondContact O-N 3.19Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 PolarHBondContact O-N 3.41Å |
| 301 | N | 90.1 | Very high | 92 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 178.1 | -79.7 | -31.2 | 0 | 0 | 0 | 113 | I297 K298 L304 T305 | I297-N301 WeakPolarHBondContact CG2-ND2 3.48Å; I297-N301 WeakPolarHBondContact O-CB 3.49Å; I297-N301 PolarHBondContact O-N 2.77Å; I297-N301 PolarHBondContact O-ND2 3.18Å; K298-N301 PolarHBondContact O-N 2.72Å; N301-L304 PolarHBondContact O-N 2.84Å; N301-T305 WeakPolarHBondContact O-CB 3.37Å; N301-T305 PolarHBondContact O-N 3.46Å; N301-T305 PolarHBondContact O-OG1 2.93Å |
| 302 | M | 93.2 | Very high | 92 | Very high | 144 Ų | 144 | 57.5 Ų | 57.5 | 71% | 0.709 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -47.4 | 174.5 | -178.2 | -177.7 | -78.7 | 0 | 0 | 111.3 | K298 V299 L300 L304 T305 Y306 | K298-M302 WeakPolarHBondContact O-CB 3.47Å; K298-M302 PolarHBondContact O-N 2.96Å; V299-M302 PolarHBondContact O-N 3.47Å; L300-M302 VanDerWaalsContact C-N 3.35Å; L300-M302 PolarHBondContact O-N 3.19Å; M302-L304 VanDerWaalsContact C-N 3.34Å; M302-L304 PolarHBondContact O-N 3.41Å; M302-T305 PolarHBondContact O-N 3.12Å; M302-Y306 PolarHBondContact O-N 2.96Å |
| 303 | R | 94.1 | Very high | 92.1 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 25% | 0.249 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.3 | -71.2 | -178.2 | 75.7 | -167.7 | 3.5 | 112 | L221 S222 V299 L300 T305 Y306 C307 | L221-R303 HydrophobicContact CD2-CB 3.61Å; L221-R303 HydrophobicContact CG-CB 4.49Å; S222-R303 PolarHBondContact OG-NH1 3.43Å; S222-R303 PolarHBondContact OG-NH2 2.83Å; V299-R303 WeakPolarHBondContact O-CG 3.25Å; V299-R303 PolarHBondContact O-N 2.91Å; L300-R303 PolarHBondContact O-N 3.19Å; R303-T305 VanDerWaalsContact C-N 3.33Å; R303-T305 PolarHBondContact O-N 3.46Å; R303-Y306 WeakPolarHBondContact O-CB 3.18Å; R303-Y306 PolarHBondContact O-N 2.67Å; R303-C307 PolarHBondContact O-N 2.76Å; R303-C307 PolarHBondContact O-SG 3.47Å; R303-C307 VanDerWaalsContact O-SG 3.33Å |
| 304 | L | 93.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.8 | -174.3 | 111 | 0 | 0 | 0 | 111.7 | L221 L254 L257 R258 I261 L300 N301 M302 C307 M308 | L221-L304 HydrophobicContact CD1-CD1 4.39Å; L221-L304 HydrophobicContact CD2-CB 4.32Å; L254-L304 HydrophobicContact CD1-CD1 3.55Å; L254-L304 HydrophobicContact CD1-CG 4.06Å; L254-L304 HydrophobicContact CG-CD1 4.2Å; L254-L304 HydrophobicContact CG-CG 4.44Å; L257-L304 HydrophobicContact CD2-CD1 4.47Å; L257-L304 HydrophobicContact CG-CD1 4.41Å; R258-L304 HydrophobicContact CB-CD1 4.11Å; R258-L304 HydrophobicContact CB-CD2 3.64Å; R258-L304 HydrophobicContact CB-CG 4.44Å; R258-L304 HydrophobicContact CG-CD2 3.44Å; R258-L304 VanDerWaalsContact CG-CD2 3.44Å; I261-L304 HydrophobicContact CD1-CD1 4.43Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 PolarHBondContact O-N 3.41Å; N301-L304 PolarHBondContact O-N 2.84Å; M302-L304 VanDerWaalsContact C-N 3.34Å; M302-L304 PolarHBondContact O-N 3.41Å; L304-C307 PolarHBondContact O-N 3.19Å; L304-M308 WeakPolarHBondContact O-CG 3.39Å; L304-M308 PolarHBondContact O-N 3.37Å |
| 305 | T | 93.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.6 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | N301 M302 R303 C307 M308 E309 | N301-T305 WeakPolarHBondContact O-CB 3.37Å; N301-T305 PolarHBondContact O-N 3.46Å; N301-T305 PolarHBondContact O-OG1 2.93Å; M302-T305 PolarHBondContact O-N 3.12Å; R303-T305 VanDerWaalsContact C-N 3.33Å; R303-T305 PolarHBondContact O-N 3.46Å; T305-C307 VanDerWaalsContact C-N 3.33Å; T305-C307 PolarHBondContact O-N 3.1Å; T305-M308 WeakPolarHBondContact O-CB 3.46Å; T305-M308 PolarHBondContact O-N 3.26Å; T305-M308 VanDerWaalsContact O-N 3.1Å; T305-E309 WeakPolarHBondContact O-CG 3.22Å; T305-E309 PolarHBondContact O-N 2.87Å |
| 306 | Y | 93.6 | Very high | 92.2 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 49% | 0.494 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.3 | -45.9 | 173.8 | 167.9 | -99.9 | 0 | 0 | 0 | 112.5 | M302 R303 M308 E309 L310 | M302-Y306 PolarHBondContact O-N 2.96Å; R303-Y306 WeakPolarHBondContact O-CB 3.18Å; R303-Y306 PolarHBondContact O-N 2.67Å; Y306-M308 VanDerWaalsContact C-N 3.32Å; Y306-M308 PolarHBondContact O-N 2.82Å; Y306-E309 PolarHBondContact O-N 2.87Å; Y306-L310 PolarHBondContact O-N 2.81Å |
| 307 | C | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 176.8 | -68.1 | 0 | 0 | 0 | 0 | 112.6 | F224 V225 L228 L254 R303 L304 T305 L310 L311 | F224-C307 HydrophobicContact CD1-CB 4.41Å; F224-C307 HydrophobicContact CE1-CB 4.11Å; V225-C307 WeakPolarHBondContact CG2-SG 3.27Å; L228-C307 HydrophobicContact CD1-CB 4.19Å; L254-C307 HydrophobicContact CD1-CB 4.16Å; L254-C307 HydrophobicContact CD2-CB 3.41Å; L254-C307 VanDerWaalsContact CD2-CB 3.41Å; L254-C307 HydrophobicContact CG-CB 4.46Å; R303-C307 PolarHBondContact O-N 2.76Å; R303-C307 PolarHBondContact O-SG 3.47Å; R303-C307 VanDerWaalsContact O-SG 3.33Å; L304-C307 PolarHBondContact O-N 3.19Å; T305-C307 VanDerWaalsContact C-N 3.33Å; T305-C307 PolarHBondContact O-N 3.1Å; C307-L310 PolarHBondContact O-N 2.93Å; C307-L311 WeakPolarHBondContact O-CG 3.33Å; C307-L311 PolarHBondContact O-N 3.37Å |
| 308 | M | 93.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 58 Ų | 58 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.2 | -79.5 | -60.6 | -49.5 | 0 | 0 | 111.9 | L254 F255 L304 T305 Y306 L310 L311 Q312 | L254-M308 HydrophobicContact CB-SD 4.42Å; L254-M308 HydrophobicContact CD2-CB 4.37Å; L254-M308 HydrophobicContact CD2-CG 3.63Å; L254-M308 HydrophobicContact CD2-SD 3.53Å; L254-M308 VanDerWaalsContact CD2-SD 3.53Å; L254-M308 HydrophobicContact CG-CG 4.3Å; L254-M308 HydrophobicContact CG-SD 4.01Å; F255-M308 HydrophobicContact CD1-SD 4.48Å; F255-M308 HydrophobicContact CD2-CE 4.31Å; F255-M308 HydrophobicContact CD2-SD 4.37Å; F255-M308 HydrophobicContact CE1-CE 3.81Å; F255-M308 HydrophobicContact CE1-SD 4.24Å; F255-M308 HydrophobicContact CE2-CE 3.49Å; F255-M308 VanDerWaalsContact CE2-CE 3.49Å; F255-M308 HydrophobicContact CE2-SD 4.11Å; F255-M308 HydrophobicContact CZ-CE 3.19Å; F255-M308 HydrophobicContact CZ-SD 4.05Å; L304-M308 WeakPolarHBondContact O-CG 3.39Å; L304-M308 PolarHBondContact O-N 3.37Å; T305-M308 WeakPolarHBondContact O-CB 3.46Å; T305-M308 PolarHBondContact O-N 3.26Å; T305-M308 VanDerWaalsContact O-N 3.1Å; Y306-M308 VanDerWaalsContact C-N 3.32Å; Y306-M308 PolarHBondContact O-N 2.82Å; M308-L310 VanDerWaalsContact C-N 3.35Å; M308-L311 PolarHBondContact O-N 3.49Å; M308-Q312 WeakPolarHBondContact O-CG 2.84Å; M308-Q312 PolarHBondContact O-N 2.97Å |
| 309 | E | 94.2 | Very high | 91.8 | Very high | 112 Ų | 112 | 52.7 Ų | 52.7 | 52% | 0.523 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176.9 | -71.3 | 171.1 | -179.4 | 0 | 0 | 111.5 | T305 Y306 L311 Q312 L313 | T305-E309 WeakPolarHBondContact O-CG 3.22Å; T305-E309 PolarHBondContact O-N 2.87Å; Y306-E309 PolarHBondContact O-N 2.87Å; E309-L311 PolarHBondContact O-N 2.8Å; E309-Q312 PolarHBondContact O-N 2.77Å; E309-L313 PolarHBondContact O-N 2.78Å |
| 310 | L | 92.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.2 | 178.6 | 61.9 | 0 | 0 | 0 | 111.6 | L228 V232 L235 Y306 C307 M308 Q312 L313 L314 | L228-L310 HydrophobicContact CB-CD2 4.28Å; L228-L310 HydrophobicContact CD1-CD2 4.26Å; L228-L310 HydrophobicContact CD2-CD2 4.47Å; V232-L310 HydrophobicContact CG2-CD1 4.17Å; V232-L310 HydrophobicContact CG2-CD2 3.44Å; V232-L310 VanDerWaalsContact CG2-CD2 3.44Å; V232-L310 HydrophobicContact CG2-CG 4.47Å; L235-L310 HydrophobicContact CD2-CD1 4.16Å; Y306-L310 PolarHBondContact O-N 2.81Å; C307-L310 PolarHBondContact O-N 2.93Å; M308-L310 VanDerWaalsContact C-N 3.35Å; L310-Q312 VanDerWaalsContact C-N 3.3Å; L310-Q312 PolarHBondContact O-N 3.19Å; L310-L313 WeakPolarHBondContact O-CB 3.33Å; L310-L313 PolarHBondContact O-N 3.1Å; L310-L314 HydrophobicContact CG-CD1 4.39Å; L310-L314 VanDerWaalsContact O-CG 3.31Å; L310-L314 WeakPolarHBondContact O-CG 3.13Å; L310-L314 PolarHBondContact O-N 3.48Å |
| 311 | L | 92.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 177.8 | -70.5 | 170.3 | 0 | 0 | 0 | 112.4 | F224 L228 V247 R250 A251 L254 C307 M308 E309 L314 D315 | F224-L311 HydrophobicContact CE1-CD1 4.45Å; F224-L311 HydrophobicContact CZ-CD1 4.14Å; L228-L311 HydrophobicContact CD2-CD2 4.26Å; V247-L311 HydrophobicContact CG1-CD2 4.34Å; R250-L311 HydrophobicContact CB-CD1 4.48Å; R250-L311 HydrophobicContact CB-CD2 3.84Å; A251-L311 HydrophobicContact CB-CD1 4.19Å; L254-L311 HydrophobicContact CB-CD1 4.39Å; L254-L311 HydrophobicContact CD2-CD1 3.76Å; C307-L311 WeakPolarHBondContact O-CG 3.33Å; C307-L311 PolarHBondContact O-N 3.37Å; M308-L311 PolarHBondContact O-N 3.49Å; E309-L311 PolarHBondContact O-N 2.8Å; L311-L314 HydrophobicContact CD2-CD1 4.3Å; L311-L314 PolarHBondContact O-N 3.38Å; L311-D315 PolarHBondContact O-N 3.03Å |
| 312 | Q | 92.7 | Very high | 91.4 | Very high | 129 Ų | 129 | 62.8 Ų | 62.8 | 60% | 0.603 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 174 | -74.4 | 174.5 | -12.7 | 0 | 0 | 112 | M308 E309 L310 L314 D315 G316 | M308-Q312 WeakPolarHBondContact O-CG 2.84Å; M308-Q312 PolarHBondContact O-N 2.97Å; E309-Q312 PolarHBondContact O-N 2.77Å; L310-Q312 VanDerWaalsContact C-N 3.3Å; L310-Q312 PolarHBondContact O-N 3.19Å; Q312-L314 VanDerWaalsContact C-N 3.34Å; Q312-D315 PolarHBondContact O-N 3.38Å; Q312-G316 PolarHBondContact O-N 2.95Å |
| 313 | L | 92 | Very high | 91.3 | Very high | 93 Ų | 93 | 59.1 Ų | 59.1 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 173 | -176.6 | 163.1 | 0 | 0 | 0 | 110.8 | L235 E309 L310 G316 N317 | L235-L313 HydrophobicContact CD1-CD2 4.17Å; L235-L313 HydrophobicContact CD2-CD2 3.77Å; E309-L313 PolarHBondContact O-N 2.78Å; L310-L313 WeakPolarHBondContact O-CB 3.33Å; L310-L313 PolarHBondContact O-N 3.1Å; L313-G316 PolarHBondContact O-N 2.75Å; L313-N317 PolarHBondContact O-N 2.98Å |
| 314 | L | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 179.3 | -65.1 | 172.1 | 0 | 0 | 0 | 111.9 | V231 L235 I240 L242 V247 L310 L311 Q312 N317 I318 | V231-L314 HydrophobicContact CG1-CD1 3.74Å; V231-L314 HydrophobicContact CG1-CD2 4Å; L235-L314 HydrophobicContact CD2-CD2 4.49Å; I240-L314 HydrophobicContact CD1-CD2 3.77Å; I240-L314 HydrophobicContact CG2-CD2 4.27Å; L242-L314 HydrophobicContact CD1-CD1 3.86Å; V247-L314 HydrophobicContact CG1-CB 4.34Å; V247-L314 HydrophobicContact CG2-CB 4.16Å; L310-L314 HydrophobicContact CG-CD1 4.39Å; L310-L314 VanDerWaalsContact O-CG 3.31Å; L310-L314 WeakPolarHBondContact O-CG 3.13Å; L310-L314 PolarHBondContact O-N 3.48Å; L311-L314 HydrophobicContact CD2-CD1 4.3Å; L311-L314 PolarHBondContact O-N 3.38Å; Q312-L314 VanDerWaalsContact C-N 3.34Å; L314-N317 PolarHBondContact O-N 3.06Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 3.3Å; L314-I318 VanDerWaalsContact O-N 3.09Å |
| 315 | D | 91.2 | Very high | 91.3 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.4 | -170.8 | 47.9 | 0 | 0 | 0 | 111.5 | V247 L311 Q312 N317 I318 A319 | V247-D315 HydrophobicContact CG1-CB 4.1Å; L311-D315 PolarHBondContact O-N 3.03Å; Q312-D315 PolarHBondContact O-N 3.38Å; D315-N317 PolarHBondContact O-N 3.38Å; D315-I318 PolarHBondContact O-N 2.7Å; D315-A319 WeakPolarHBondContact O-CB 3.37Å; D315-A319 PolarHBondContact O-N 2.87Å |
| 316 | G | 90.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 68.6 Ų | 68.6 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q312 L313 A319 H320 | Q312-G316 PolarHBondContact O-N 2.95Å; L313-G316 PolarHBondContact O-N 2.75Å; G316-A319 PolarHBondContact O-N 2.98Å; G316-H320 WeakPolarHBondContact O-CB 3.43Å; G316-H320 PolarHBondContact O-N 2.73Å |
| 317 | N | 88.2 | Confident | 91.5 | Very high | 50 Ų | 50 | 68.5 Ų | 68.5 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 177.5 | -173.1 | 67.4 | 0 | 0 | 0 | 112.5 | I240 L313 L314 D315 H320 R321 | I240-N317 HydrophobicContact CD1-CB 3.83Å; I240-N317 WeakPolarHBondContact CD1-ND2 3.49Å; L313-N317 PolarHBondContact O-N 2.98Å; L314-N317 PolarHBondContact O-N 3.06Å; D315-N317 PolarHBondContact O-N 3.38Å; N317-H320 PolarHBondContact O-N 3.09Å; N317-R321 WeakPolarHBondContact O-CG 3.32Å; N317-R321 PolarHBondContact O-N 3.01Å; N317-R321 VanDerWaalsContact O-N 3.08Å |
| 318 | I | 86.8 | Confident | 91.6 | Very high | 28 Ų | 28 | 72.1 Ų | 72.1 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176 | -67.6 | 168.8 | 0 | 0 | 0 | 110.7 | L242 K244 V247 L314 D315 H320 R321 H322 | L242-I318 WeakPolarHBondContact O-CD1 3.22Å; K244-I318 HydrophobicContact CB-CG2 3.99Å; K244-I318 HydrophobicContact CG-CG2 4.43Å; V247-I318 HydrophobicContact CB-CD1 4.47Å; V247-I318 HydrophobicContact CG2-CD1 3.61Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 3.3Å; L314-I318 VanDerWaalsContact O-N 3.09Å; D315-I318 PolarHBondContact O-N 2.7Å; I318-H320 VanDerWaalsContact C-N 3.34Å; I318-H320 PolarHBondContact O-N 3.07Å; I318-R321 PolarHBondContact O-N 2.89Å; I318-H322 PolarHBondContact O-N 2.96Å; I318-H322 VanDerWaalsContact O-N 3.09Å |
| 319 | A | 88.3 | Confident | 91.8 | Very high | 48 Ų | 48 | 76.4 Ų | 76.4 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D315 G316 H322 S323 | D315-A319 WeakPolarHBondContact O-CB 3.37Å; D315-A319 PolarHBondContact O-N 2.87Å; G316-A319 PolarHBondContact O-N 2.98Å; A319-H322 WeakPolarHBondContact O-CB 3.04Å; A319-H322 PolarHBondContact O-N 2.82Å; A319-S323 PolarHBondContact O-N 3.09Å |
| 320 | H | 89.5 | Confident | 91.9 | Very high | 111 Ų | 111 | 74.8 Ų | 74.8 | 51% | 0.514 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 176.6 | -175.4 | 57.8 | 0 | 0 | 0 | 112.3 | G316 N317 I318 H322 S323 I324 | G316-H320 WeakPolarHBondContact O-CB 3.43Å; G316-H320 PolarHBondContact O-N 2.73Å; N317-H320 PolarHBondContact O-N 3.09Å; I318-H320 VanDerWaalsContact C-N 3.34Å; I318-H320 PolarHBondContact O-N 3.07Å; H320-H322 VanDerWaalsContact C-N 3.29Å; H320-H322 PolarHBondContact O-N 2.99Å; H320-S323 WeakPolarHBondContact O-CB 3.1Å; H320-S323 PolarHBondContact O-N 2.96Å; H320-S323 VanDerWaalsContact O-N 3.12Å; H320-I324 WeakPolarHBondContact NE2-CD1 3.35Å; H320-I324 PolarHBondContact O-N 2.83Å |
| 321 | R | 86.8 | Confident | 92.1 | Very high | 116 Ų | 116 | 78 Ų | 78 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 174.3 | -73.4 | -177.6 | 175.3 | -169.4 | -1.4 | 112.5 | N317 I318 R325 | N317-R321 WeakPolarHBondContact O-CG 3.32Å; N317-R321 PolarHBondContact O-N 3.01Å; N317-R321 VanDerWaalsContact O-N 3.08Å; I318-R321 PolarHBondContact O-N 2.89Å; R321-R325 PolarHBondContact O-N 2.61Å |
| 322 | H | 87.6 | Confident | 92.3 | Very high | 105 Ų | 105 | 82.8 Ų | 82.8 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 175.3 | -172.4 | -81 | 0 | 0 | 0 | 111.7 | I318 A319 H320 R325 L326 | I318-H322 PolarHBondContact O-N 2.96Å; I318-H322 VanDerWaalsContact O-N 3.09Å; A319-H322 WeakPolarHBondContact O-CB 3.04Å; A319-H322 PolarHBondContact O-N 2.82Å; H320-H322 VanDerWaalsContact C-N 3.29Å; H320-H322 PolarHBondContact O-N 2.99Å; H322-R325 PolarHBondContact O-N 2.84Å; H322-L326 WeakPolarHBondContact O-CG 3.3Å; H322-L326 PolarHBondContact O-N 3.48Å; H322-L326 VanDerWaalsContact O-N 3.09Å |
| 323 | S | 92.3 | Very high | 92.5 | Very high | 66 Ų | 66 | 81.7 Ų | 81.7 | 46% | 0.462 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 175.3 | -167.1 | 0 | 0 | 0 | 0 | 111.8 | A319 H320 R325 L326 E327 | A319-S323 PolarHBondContact O-N 3.09Å; H320-S323 WeakPolarHBondContact O-CB 3.1Å; H320-S323 PolarHBondContact O-N 2.96Å; H320-S323 VanDerWaalsContact O-N 3.12Å; S323-R325 VanDerWaalsContact C-N 3.29Å; S323-R325 PolarHBondContact O-N 2.75Å; S323-L326 PolarHBondContact O-N 2.95Å; S323-E327 PolarHBondContact O-N 2.73Å |
| 324 | I | 93.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 82.3 Ų | 82.3 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 177.5 | -68.2 | 166.8 | 0 | 0 | 0 | 110.7 | H320 L326 E327 V328 | H320-I324 WeakPolarHBondContact NE2-CD1 3.35Å; H320-I324 PolarHBondContact O-N 2.83Å; I324-L326 VanDerWaalsContact C-N 3.33Å; I324-L326 PolarHBondContact O-N 3.28Å; I324-E327 PolarHBondContact O-N 2.88Å; I324-V328 HydrophobicContact CG2-CG2 4.21Å; I324-V328 VanDerWaalsContact O-CG2 3.31Å; I324-V328 WeakPolarHBondContact O-CG2 3.47Å; I324-V328 PolarHBondContact O-N 2.8Å |
| 325 | R | 93.4 | Very high | 93 | Very high | 177 Ų | 177 | 87.7 Ų | 87.7 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 178.5 | -164.2 | -176.2 | 90 | 175.3 | 6.7 | 112.1 | R321 H322 S323 M329 | R321-R325 PolarHBondContact O-N 2.61Å; H322-R325 PolarHBondContact O-N 2.84Å; S323-R325 VanDerWaalsContact C-N 3.29Å; S323-R325 PolarHBondContact O-N 2.75Å; R325-M329 PolarHBondContact O-N 3.02Å; R325-M329 VanDerWaalsContact O-N 3.11Å |
| 326 | L | 94.4 | Very high | 93.2 | Very high | 76 Ų | 76 | 86.8 Ų | 86.8 | 40% | 0.398 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 176.1 | -69.4 | 179.3 | 0 | 0 | 0 | 111.4 | H322 S323 I324 M329 V330 | H322-L326 WeakPolarHBondContact O-CG 3.3Å; H322-L326 PolarHBondContact O-N 3.48Å; H322-L326 VanDerWaalsContact O-N 3.09Å; S323-L326 PolarHBondContact O-N 2.95Å; I324-L326 VanDerWaalsContact C-N 3.33Å; I324-L326 PolarHBondContact O-N 3.28Å; L326-M329 WeakPolarHBondContact O-CB 3.21Å; L326-M329 PolarHBondContact O-N 2.8Å; L326-V330 WeakPolarHBondContact O-CG2 3.37Å; L326-V330 PolarHBondContact O-N 2.95Å |
| 327 | E | 96.1 | Very high | 93.5 | Very high | 123 Ų | 123 | 90.6 Ų | 90.6 | 58% | 0.575 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.6 | -47.7 | 177.6 | -174.8 | 179.2 | 175.8 | 0 | 0 | 111.5 | S323 I324 M329 V330 V331 | S323-E327 PolarHBondContact O-N 2.73Å; I324-E327 PolarHBondContact O-N 2.88Å; E327-M329 VanDerWaalsContact C-N 3.27Å; E327-M329 PolarHBondContact O-N 3Å; E327-V330 PolarHBondContact O-N 3.09Å; E327-V330 VanDerWaalsContact O-N 3.11Å; E327-V331 WeakPolarHBondContact O-CG2 3.15Å; E327-V331 PolarHBondContact O-N 3.39Å |
| 328 | V | 96.7 | Very high | 93.9 | Very high | 77 Ų | 77 | 91.9 Ų | 91.9 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I324 V331 L332 | I324-V328 HydrophobicContact CG2-CG2 4.21Å; I324-V328 VanDerWaalsContact O-CG2 3.31Å; I324-V328 WeakPolarHBondContact O-CG2 3.47Å; I324-V328 PolarHBondContact O-N 2.8Å; V328-V331 PolarHBondContact O-N 2.94Å; V328-L332 HydrophobicContact CG1-CD1 4.03Å; V328-L332 HydrophobicContact CG1-CG 4.36Å; V328-L332 WeakPolarHBondContact O-CB 3.41Å; V328-L332 VanDerWaalsContact O-CG 3.28Å; V328-L332 WeakPolarHBondContact O-CG 3.4Å; V328-L332 PolarHBondContact O-N 2.95Å |
| 329 | M | 96.8 | Very high | 94.3 | Very high | 105 Ų | 105 | 95.7 Ų | 95.7 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.3 | -169.4 | -173 | 84.9 | 0 | 0 | 111.7 | R325 L326 E327 L332 L333 | R325-M329 PolarHBondContact O-N 3.02Å; R325-M329 VanDerWaalsContact O-N 3.11Å; L326-M329 WeakPolarHBondContact O-CB 3.21Å; L326-M329 PolarHBondContact O-N 2.8Å; E327-M329 VanDerWaalsContact C-N 3.27Å; E327-M329 PolarHBondContact O-N 3Å; M329-L332 PolarHBondContact O-N 3.49Å; M329-L333 HydrophobicContact CE-CD1 4.32Å; M329-L333 HydrophobicContact CG-CD1 4.45Å; M329-L333 VanDerWaalsContact O-CG 3.3Å; M329-L333 WeakPolarHBondContact O-CG 3.17Å; M329-L333 PolarHBondContact O-N 2.9Å |
| 330 | V | 96.7 | Very high | 94.7 | Very high | 78 Ų | 78 | 100.4 Ų | 100.4 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L326 E327 L332 L333 I334 | L326-V330 WeakPolarHBondContact O-CG2 3.37Å; L326-V330 PolarHBondContact O-N 2.95Å; E327-V330 PolarHBondContact O-N 3.09Å; E327-V330 VanDerWaalsContact O-N 3.11Å; V330-L332 VanDerWaalsContact C-N 3.33Å; V330-L332 PolarHBondContact O-N 3.11Å; V330-L333 PolarHBondContact O-N 3Å; V330-I334 HydrophobicContact CG1-CD1 4.09Å; V330-I334 WeakPolarHBondContact O-CG1 3.48Å; V330-I334 PolarHBondContact O-N 3.49Å; V330-I334 VanDerWaalsContact O-N 3.1Å |
| 331 | V | 96.5 | Very high | 94.9 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -42 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | E327 V328 I334 L335 | E327-V331 WeakPolarHBondContact O-CG2 3.15Å; E327-V331 PolarHBondContact O-N 3.39Å; V328-V331 PolarHBondContact O-N 2.94Å; V331-I334 PolarHBondContact O-N 3.38Å; V331-L335 PolarHBondContact O-N 3.45Å |
| 332 | L | 97.1 | Very high | 95.3 | Very high | 103 Ų | 103 | 99.2 Ų | 99.2 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 177 | -73.2 | 174.7 | 0 | 0 | 0 | 112.9 | V328 M329 V330 L335 A336 | V328-L332 HydrophobicContact CG1-CD1 4.03Å; V328-L332 HydrophobicContact CG1-CG 4.36Å; V328-L332 WeakPolarHBondContact O-CB 3.41Å; V328-L332 VanDerWaalsContact O-CG 3.28Å; V328-L332 WeakPolarHBondContact O-CG 3.4Å; V328-L332 PolarHBondContact O-N 2.95Å; M329-L332 PolarHBondContact O-N 3.49Å; V330-L332 VanDerWaalsContact C-N 3.33Å; V330-L332 PolarHBondContact O-N 3.11Å; L332-L335 PolarHBondContact O-N 3.12Å; L332-A336 WeakPolarHBondContact O-CB 3.15Å; L332-A336 PolarHBondContact O-N 2.76Å |
| 333 | L | 96.4 | Very high | 95.6 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -43.5 | 176.6 | -72.8 | 170 | 0 | 0 | 0 | 111.7 | M329 V330 L335 A336 E337 | M329-L333 HydrophobicContact CE-CD1 4.32Å; M329-L333 HydrophobicContact CG-CD1 4.45Å; M329-L333 VanDerWaalsContact O-CG 3.3Å; M329-L333 WeakPolarHBondContact O-CG 3.17Å; M329-L333 PolarHBondContact O-N 2.9Å; V330-L333 PolarHBondContact O-N 3Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 2.88Å; L333-A336 PolarHBondContact O-N 3.37Å; L333-E337 PolarHBondContact O-N 3.13Å |
| 334 | I | 96.6 | Very high | 95.6 | Very high | 106 Ų | 106 | 102.2 Ų | 102.2 | 54% | 0.544 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.8 | -65.3 | 168 | 0 | 0 | 0 | 110.4 | V330 V331 A336 E337 V338 | V330-I334 HydrophobicContact CG1-CD1 4.09Å; V330-I334 WeakPolarHBondContact O-CG1 3.48Å; V330-I334 PolarHBondContact O-N 3.49Å; V330-I334 VanDerWaalsContact O-N 3.1Å; V331-I334 PolarHBondContact O-N 3.38Å; I334-A336 VanDerWaalsContact C-N 3.33Å; I334-A336 PolarHBondContact O-N 3.24Å; I334-E337 PolarHBondContact O-N 2.78Å; I334-V338 WeakPolarHBondContact O-CG2 3.22Å; I334-V338 PolarHBondContact O-N 3.02Å |
| 335 | L | 97.3 | Very high | 95.5 | Very high | 112 Ų | 112 | 105 Ų | 105 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 177.6 | -177.6 | 65.7 | 0 | 0 | 0 | 112.1 | V331 L332 L333 L339 | V331-L335 PolarHBondContact O-N 3.45Å; L332-L335 PolarHBondContact O-N 3.12Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 2.88Å; L335-L339 WeakPolarHBondContact O-CB 3.43Å; L335-L339 PolarHBondContact O-N 2.84Å |
| 336 | A | 96.5 | Very high | 95.5 | Very high | 38 Ų | 38 | 101.7 Ų | 101.7 | 31% | 0.314 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L332 L333 I334 L339 F340 | L332-A336 WeakPolarHBondContact O-CB 3.15Å; L332-A336 PolarHBondContact O-N 2.76Å; L333-A336 PolarHBondContact O-N 3.37Å; I334-A336 VanDerWaalsContact C-N 3.33Å; I334-A336 PolarHBondContact O-N 3.24Å; A336-L339 WeakPolarHBondContact O-CB 3.4Å; A336-L339 PolarHBondContact O-N 3.46Å; A336-F340 WeakPolarHBondContact O-CD2 3.39Å; A336-F340 PolarHBondContact O-N 2.72Å |
| 337 | E | 96 | Very high | 95.4 | Very high | 119 Ų | 119 | 105.3 Ų | 105.3 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60 | -48 | 177.1 | -169.2 | 67.5 | -171.9 | 0 | 0 | 111.6 | L333 I334 L339 F340 E341 | L333-E337 PolarHBondContact O-N 3.13Å; I334-E337 PolarHBondContact O-N 2.78Å; E337-L339 VanDerWaalsContact C-N 3.27Å; E337-L339 PolarHBondContact O-N 3.38Å; E337-F340 PolarHBondContact O-N 3.33Å; E337-E341 PolarHBondContact O-N 3.35Å |
| 338 | V | 96.5 | Very high | 95 | Very high | 77 Ų | 77 | 104 Ų | 104 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111 | I334 I342 | I334-V338 WeakPolarHBondContact O-CG2 3.22Å; I334-V338 PolarHBondContact O-N 3.02Å; V338-I342 HydrophobicContact CG1-CD1 3.89Å; V338-I342 WeakPolarHBondContact O-CD1 3.32Å; V338-I342 VanDerWaalsContact O-CG1 3.22Å; V338-I342 WeakPolarHBondContact O-CG1 3.37Å; V338-I342 PolarHBondContact O-N 3.01Å |
| 339 | L | 96.1 | Very high | 94.2 | Very high | 108 Ų | 108 | 110.2 Ų | 110.2 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.3 | -42.5 | 175.9 | -173.6 | 71.1 | 0 | 0 | 0 | 111.9 | L335 A336 E337 I342 M343 | L335-L339 WeakPolarHBondContact O-CB 3.43Å; L335-L339 PolarHBondContact O-N 2.84Å; A336-L339 WeakPolarHBondContact O-CB 3.4Å; A336-L339 PolarHBondContact O-N 3.46Å; E337-L339 VanDerWaalsContact C-N 3.27Å; E337-L339 PolarHBondContact O-N 3.38Å; L339-I342 PolarHBondContact O-N 3.39Å; L339-M343 VanDerWaalsContact O-CG 3.29Å; L339-M343 WeakPolarHBondContact O-CG 3.26Å; L339-M343 PolarHBondContact O-N 2.68Å |
| 340 | F | 95.3 | Very high | 93 | Very high | 147 Ų | 147 | 111 Ų | 111 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.9 | -43.2 | 176.8 | -79.6 | -63.5 | 0 | 0 | 0 | 112.2 | A336 E337 I342 M343 H344 | A336-F340 WeakPolarHBondContact O-CD2 3.39Å; A336-F340 PolarHBondContact O-N 2.72Å; E337-F340 PolarHBondContact O-N 3.33Å; F340-I342 VanDerWaalsContact C-N 3.35Å; F340-I342 PolarHBondContact O-N 2.92Å; F340-M343 PolarHBondContact O-N 3.12Å; F340-H344 WeakPolarHBondContact O-CB 3.45Å; F340-H344 PolarHBondContact O-N 3.13Å |
| 341 | E | 94.9 | Very high | 92.8 | Very high | 115 Ų | 115 | 112.7 Ų | 112.7 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.3 | -42.1 | 175.2 | -78.3 | -73.3 | -175.6 | 0 | 0 | 112.1 | E337 M343 H344 F345 | E337-E341 PolarHBondContact O-N 3.35Å; E341-M343 PolarHBondContact O-N 2.7Å; E341-H344 PolarHBondContact O-N 3.04Å; E341-F345 WeakPolarHBondContact O-CB 2.91Å; E341-F345 PolarHBondContact O-N 3.44Å |
| 342 | I | 94.3 | Very high | 92.6 | Very high | 88 Ų | 88 | 114.1 Ų | 114.1 | 45% | 0.451 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.1 | -43 | 175.3 | -69 | 165.5 | 0 | 0 | 0 | 110.9 | V338 L339 F340 F345 L346 | V338-I342 HydrophobicContact CG1-CD1 3.89Å; V338-I342 WeakPolarHBondContact O-CD1 3.32Å; V338-I342 VanDerWaalsContact O-CG1 3.22Å; V338-I342 WeakPolarHBondContact O-CG1 3.37Å; V338-I342 PolarHBondContact O-N 3.01Å; L339-I342 PolarHBondContact O-N 3.39Å; F340-I342 VanDerWaalsContact C-N 3.35Å; F340-I342 PolarHBondContact O-N 2.92Å; I342-F345 PolarHBondContact O-N 3.19Å; I342-L346 HydrophobicContact CG2-CD1 4.24Å; I342-L346 WeakPolarHBondContact O-CG 3.42Å; I342-L346 PolarHBondContact O-N 3.16Å |
| 343 | M | 93.7 | Very high | 92.4 | Very high | 114 Ų | 114 | 114.7 Ų | 114.7 | 56% | 0.562 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.5 | -45.5 | 178 | -73.2 | -66.2 | -62.5 | 0 | 0 | 111.9 | L339 F340 E341 F345 L346 E347 | L339-M343 VanDerWaalsContact O-CG 3.29Å; L339-M343 WeakPolarHBondContact O-CG 3.26Å; L339-M343 PolarHBondContact O-N 2.68Å; F340-M343 PolarHBondContact O-N 3.12Å; E341-M343 PolarHBondContact O-N 2.7Å; M343-F345 PolarHBondContact O-N 3.12Å; M343-L346 PolarHBondContact O-N 3.1Å; M343-E347 PolarHBondContact O-N 3.21Å |
| 344 | H | 92.5 | Very high | 92.2 | Very high | 119 Ų | 119 | 115.2 Ų | 115.2 | 55% | 0.551 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.7 | -40.4 | 177 | 178.5 | -96.2 | 0 | 0 | 0 | 112 | F340 E341 L346 E347 S348 | F340-H344 WeakPolarHBondContact O-CB 3.45Å; F340-H344 PolarHBondContact O-N 3.13Å; E341-H344 PolarHBondContact O-N 3.04Å; H344-L346 VanDerWaalsContact C-N 3.32Å; H344-L346 PolarHBondContact O-N 3.05Å; H344-E347 PolarHBondContact O-N 3.27Å; H344-S348 WeakPolarHBondContact O-CB 3.39Å; H344-S348 PolarHBondContact O-N 3.49Å |
| 345 | F | 92.6 | Very high | 91.9 | Very high | 129 Ų | 129 | 115.8 Ų | 115.8 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.4 | -38.3 | 175.2 | 179 | -99.1 | 0 | 0 | 0 | 112.7 | E341 I342 M343 R349 | E341-F345 WeakPolarHBondContact O-CB 2.91Å; E341-F345 PolarHBondContact O-N 3.44Å; I342-F345 PolarHBondContact O-N 3.19Å; M343-F345 PolarHBondContact O-N 3.12Å; F345-R349 PolarHBondContact O-N 3.21Å |
| 346 | L | 93.2 | Very high | 91.5 | Very high | 109 Ų | 109 | 116 Ų | 116 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.8 | -41.2 | 175.6 | -72.3 | 172.1 | 0 | 0 | 0 | 111.9 | I342 M343 H344 R349 G350 | I342-L346 HydrophobicContact CG2-CD1 4.24Å; I342-L346 WeakPolarHBondContact O-CG 3.42Å; I342-L346 PolarHBondContact O-N 3.16Å; M343-L346 PolarHBondContact O-N 3.1Å; H344-L346 VanDerWaalsContact C-N 3.32Å; H344-L346 PolarHBondContact O-N 3.05Å; L346-R349 PolarHBondContact O-N 3.5Å; L346-G350 PolarHBondContact O-N 3.14Å |
| 347 | E | 92.1 | Very high | 91.2 | Very high | 152 Ų | 152 | 121.6 Ų | 121.6 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.4 | -44 | 176.6 | -173.5 | 172.7 | -170.4 | 0 | 0 | 111.8 | M343 H344 R349 G350 | M343-E347 PolarHBondContact O-N 3.21Å; H344-E347 PolarHBondContact O-N 3.27Å; E347-R349 PolarHBondContact O-N 2.87Å; E347-G350 PolarHBondContact O-N 3.09Å; E347-G350 VanDerWaalsContact O-N 3.15Å; E347-G350 VanDerWaalsContact O-OXT 3.13Å |
| 348 | S | 87.1 | Confident | 90.8 | Very high | 94 Ų | 94 | 121.8 Ų | 121.8 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -14.1 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 114.2 | H344 | H344-S348 WeakPolarHBondContact O-CB 3.39Å; H344-S348 PolarHBondContact O-N 3.49Å |
| 349 | R | 80.7 | Confident | 90.3 | Very high | 208 Ų | 208 | 125.5 Ų | 125.5 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -20.2 | 178.1 | -167 | 174 | -179.8 | 178 | 1.1 | 113.1 | F345 L346 E347 | F345-R349 PolarHBondContact O-N 3.21Å; L346-R349 PolarHBondContact O-N 3.5Å; E347-R349 PolarHBondContact O-N 2.87Å |
| 350 | G | 71.4 | Confident | 89.8 | Confident | 123 Ų | 123 | 127.1 Ų | 127.1 | 100% | 1.268 | 66% | 0.664 | S | S | * | * | trans | -84.3 | 0 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | L346 E347 | L346-G350 PolarHBondContact O-N 3.14Å; E347-G350 PolarHBondContact O-N 3.09Å; E347-G350 VanDerWaalsContact O-N 3.15Å; E347-G350 VanDerWaalsContact O-OXT 3.13Å |
Retrieved 350 of 350 residues in 103.7 ms
(Link to these results)