| 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 | 46.1 | Very low | 48.9 | Very low | 213 Ų | 213 | 132.5 Ų | 132.5 | 100% | 1.049 | 63% | 0.63 | S | S | * | * | 0 | -37.6 | 0 | -87.2 | 176.2 | 169.8 | 0 | 0 | 113.9 | R3 L4 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 2.85Å; M1-L4 PolarHBondContact O-N 3.06Å | |||
| 2 | I | 44.6 | Very low | 49.1 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -27.3 | -177.3 | -61.9 | 167.3 | 0 | 0 | 0 | 114.1 | ||
| 3 | R | 51.2 | Low | 49.4 | Very low | 223 Ų | 223 | 125.8 Ų | 125.8 | 84% | 0.842 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -82.1 | -23.6 | 177.5 | -78.2 | -174.7 | 176.1 | -176.8 | -1.6 | 115.5 | M1 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 2.85Å |
| 4 | L | 42.6 | Very low | 49.7 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.4 | -28.8 | 176.1 | -88.4 | 145.7 | 0 | 0 | 0 | 112.1 | M1 R6 I7 T8 | M1-L4 PolarHBondContact O-N 3.06Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.31Å; L4-I7 PolarHBondContact O-N 3.04Å; L4-T8 PolarHBondContact O-N 3.11Å; L4-T8 PolarHBondContact O-OG1 3.42Å |
| 5 | S | 44.8 | Very low | 49.8 | Very low | 73 Ų | 73 | 118.5 Ų | 118.5 | 51% | 0.51 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.2 | -34.7 | 175.4 | 168 | 0 | 0 | 0 | 0 | 113 | I7 T8 K9 | S5-I7 VanDerWaalsContact C-N 3.35Å; S5-I7 PolarHBondContact O-N 2.54Å; S5-T8 WeakPolarHBondContact CA-OG1 3.32Å; S5-T8 PolarHBondContact O-N 3.03Å; S5-T8 PolarHBondContact O-OG1 3.37Å; S5-K9 WeakPolarHBondContact O-CB 3.14Å; S5-K9 PolarHBondContact O-N 3.45Å |
| 6 | R | 50.6 | Low | 49.7 | Very low | 192 Ų | 192 | 118.6 Ų | 118.6 | 73% | 0.725 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.2 | -38.9 | 174.9 | -76.7 | -169 | -173.6 | -172.6 | 0.8 | 112.1 | L4 K9 I10 | L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.31Å; R6-K9 PolarHBondContact O-N 3.18Å; R6-I10 WeakPolarHBondContact O-CD1 3.4Å; R6-I10 VanDerWaalsContact O-CG1 3.23Å; R6-I10 WeakPolarHBondContact O-CG1 3.39Å; R6-I10 PolarHBondContact O-N 3.08Å |
| 7 | I | 51.5 | Low | 49.8 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 40% | 0.395 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.7 | -41.3 | -179.1 | -59.8 | 173.6 | 0 | 0 | 0 | 110.9 | L4 S5 F11 | L4-I7 PolarHBondContact O-N 3.04Å; S5-I7 VanDerWaalsContact C-N 3.35Å; S5-I7 PolarHBondContact O-N 2.54Å; I7-F11 PolarHBondContact O-N 3.31Å; I7-F11 VanDerWaalsContact O-N 3.13Å |
| 8 | T | 49.2 | Very low | 49.5 | Very low | 91 Ų | 91 | 115.8 Ų | 115.8 | 56% | 0.558 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.8 | -34.7 | 174.6 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | L4 S5 F11 S12 | L4-T8 PolarHBondContact O-N 3.11Å; L4-T8 PolarHBondContact O-OG1 3.42Å; S5-T8 WeakPolarHBondContact CA-OG1 3.32Å; S5-T8 PolarHBondContact O-N 3.03Å; S5-T8 PolarHBondContact O-OG1 3.37Å; T8-F11 PolarHBondContact O-N 3.24Å; T8-S12 PolarHBondContact O-N 2.8Å; T8-S12 VanDerWaalsContact O-N 3.12Å |
| 9 | K | 50.2 | Low | 49.2 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.3 | -40.8 | 178.3 | -161.7 | 179.7 | 179.7 | -169.3 | 0 | 111.6 | S5 R6 S12 E13 | S5-K9 WeakPolarHBondContact O-CB 3.14Å; S5-K9 PolarHBondContact O-N 3.45Å; R6-K9 PolarHBondContact O-N 3.18Å; K9-S12 PolarHBondContact O-N 2.75Å; K9-E13 WeakPolarHBondContact CE-OE1 3.42Å; K9-E13 PolarHBondContact O-N 2.82Å |
| 10 | I | 58.7 | Low | 48.8 | Very low | 73 Ų | 73 | 118.9 Ų | 118.9 | 37% | 0.374 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.3 | -44.8 | 173.7 | -66.3 | 162.2 | 0 | 0 | 0 | 110.3 | R6 S12 E13 T14 T84 | R6-I10 WeakPolarHBondContact O-CD1 3.4Å; R6-I10 VanDerWaalsContact O-CG1 3.23Å; R6-I10 WeakPolarHBondContact O-CG1 3.39Å; R6-I10 PolarHBondContact O-N 3.08Å; I10-S12 VanDerWaalsContact C-N 3.31Å; I10-S12 PolarHBondContact O-N 3.28Å; I10-E13 PolarHBondContact O-N 3.43Å; I10-T14 PolarHBondContact O-N 2.75Å; I10-T14 PolarHBondContact O-OG1 2.91Å; I10-T84 HydrophobicContact CG2-CG2 4.03Å |
| 11 | F | 48.5 | Very low | 48.5 | Very low | 111 Ų | 111 | 117.8 Ų | 117.8 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.7 | -36.3 | 177.2 | -115.8 | -89 | 0 | 0 | 0 | 113.3 | I7 T8 V15 L81 | I7-F11 PolarHBondContact O-N 3.31Å; I7-F11 VanDerWaalsContact O-N 3.13Å; T8-F11 PolarHBondContact O-N 3.24Å; F11-V15 WeakPolarHBondContact O-CG2 3.47Å; F11-V15 PolarHBondContact O-N 3.29Å; F11-L81 HydrophobicContact CE2-CD1 4.19Å |
| 12 | S | 51 | Low | 48.1 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.5 | -37.8 | 174.4 | -80.8 | 0 | 0 | 0 | 0 | 113.2 | T8 K9 I10 L16 | T8-S12 PolarHBondContact O-N 2.8Å; T8-S12 VanDerWaalsContact O-N 3.12Å; K9-S12 PolarHBondContact O-N 2.75Å; I10-S12 VanDerWaalsContact C-N 3.31Å; I10-S12 PolarHBondContact O-N 3.28Å; S12-L16 PolarHBondContact O-N 3.4Å |
| 13 | E | 53.5 | Low | 48 | Very low | 99 Ų | 99 | 112 Ų | 112 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.5 | -39.5 | 179.1 | -76.9 | 172.5 | -176.2 | 0 | 0 | 111.7 | K9 I10 V15 L16 I17 | K9-E13 WeakPolarHBondContact CE-OE1 3.42Å; K9-E13 PolarHBondContact O-N 2.82Å; I10-E13 PolarHBondContact O-N 3.43Å; E13-V15 PolarHBondContact O-N 2.99Å; E13-L16 PolarHBondContact O-N 3.29Å; E13-I17 WeakPolarHBondContact O-CG1 3.31Å; E13-I17 PolarHBondContact O-N 2.79Å; E13-I17 VanDerWaalsContact O-N 3.14Å |
| 14 | T | 53.6 | Low | 47.5 | Very low | 46 Ų | 46 | 107.2 Ų | 107.2 | 28% | 0.282 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -36.7 | 175.7 | -47.3 | 0 | 0 | 0 | 0 | 112.5 | I10 L16 Q18 | I10-T14 PolarHBondContact O-N 2.75Å; I10-T14 PolarHBondContact O-OG1 2.91Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-Q18 PolarHBondContact O-N 3.3Å |
| 15 | V | 51.5 | Low | 47.1 | Very low | 95 Ų | 95 | 107 Ų | 107 | 58% | 0.576 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.5 | -32.1 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | F11 E13 | F11-V15 WeakPolarHBondContact O-CG2 3.47Å; F11-V15 PolarHBondContact O-N 3.29Å; E13-V15 PolarHBondContact O-N 2.99Å |
| 16 | L | 47.4 | Very low | 46.6 | Very low | 120 Ų | 120 | 112.1 Ų | 112.1 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.1 | -37.1 | 178.8 | -107.6 | 151.5 | 0 | 0 | 0 | 112.6 | S12 E13 T14 Q18 K19 | S12-L16 PolarHBondContact O-N 3.4Å; E13-L16 PolarHBondContact O-N 3.29Å; T14-L16 VanDerWaalsContact C-N 3.35Å; L16-Q18 VanDerWaalsContact C-N 3.31Å; L16-Q18 PolarHBondContact O-N 2.88Å; L16-K19 WeakPolarHBondContact O-CB 3.38Å; L16-K19 PolarHBondContact O-N 3.41Å; L16-K19 VanDerWaalsContact O-N 3.13Å |
| 17 | I | 50.9 | Low | 46 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.5 | -31.2 | 178.1 | -65.5 | 165.7 | 0 | 0 | 0 | 111.5 | E13 K19 T20 | E13-I17 WeakPolarHBondContact O-CG1 3.31Å; E13-I17 PolarHBondContact O-N 2.79Å; E13-I17 VanDerWaalsContact O-N 3.14Å; I17-K19 VanDerWaalsContact C-N 3.25Å; I17-K19 PolarHBondContact O-N 3.29Å; I17-T20 PolarHBondContact O-OG1 2.81Å; I17-T20 VanDerWaalsContact O-OG1 3.09Å |
| 18 | Q | 44.6 | Very low | 45.1 | Very low | 64 Ų | 64 | 119.3 Ų | 119.3 | 30% | 0.299 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -69.4 | -19 | 173.4 | -88.6 | -161.8 | -37.9 | 0 | 0 | 114 | T14 L16 T20 | T14-Q18 PolarHBondContact O-N 3.3Å; L16-Q18 VanDerWaalsContact C-N 3.31Å; L16-Q18 PolarHBondContact O-N 2.88Å; Q18-T20 VanDerWaalsContact C-N 3.26Å; Q18-T20 PolarHBondContact O-N 3.07Å |
| 19 | K | 44.3 | Very low | 44.3 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -76.9 | -12.3 | -178.4 | -152.9 | 176.6 | -178.8 | -175.2 | 0 | 113 | L16 I17 | L16-K19 WeakPolarHBondContact O-CB 3.38Å; L16-K19 PolarHBondContact O-N 3.41Å; L16-K19 VanDerWaalsContact O-N 3.13Å; I17-K19 VanDerWaalsContact C-N 3.25Å; I17-K19 PolarHBondContact O-N 3.29Å |
| 20 | T | 42.1 | Very low | 43.5 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 72% | 0.718 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -105.8 | -5.6 | -175.3 | 51.5 | 0 | 0 | 0 | 0 | 115 | I17 Q18 | I17-T20 PolarHBondContact O-OG1 2.81Å; I17-T20 VanDerWaalsContact O-OG1 3.09Å; Q18-T20 VanDerWaalsContact C-N 3.26Å; Q18-T20 PolarHBondContact O-N 3.07Å |
| 21 | S | 42.1 | Very low | 42.6 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | trans | -103.6 | 57.9 | 178.2 | 71.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 22 | S | 37.2 | Very low | 42 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | -90.8 | 107.4 | 176.8 | 58 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 23 | V | 42.4 | Very low | 41.3 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 85% | 0.848 | 70% | 0.703 | S | S | * | * | trans | -127.3 | 113.8 | 158.7 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 24 | P | 40.3 | Very low | 40.6 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -86.4 | 122.5 | 175.3 | 5.9 | 11.5 | 0 | 0 | 0 | 110.9 | ||||
| 25 | S | 34.8 | Very low | 39.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -89.9 | 95.1 | 170.1 | 59.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 26 | M | 34.4 | Very low | 39.4 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 89% | 0.892 | 76% | 0.758 | S | S | * | * | trans | -166.4 | 102.6 | 162.4 | -152.7 | 170.3 | -175.7 | 0 | 0 | 112.6 | ||||
| 27 | M | 37.1 | Very low | 38.9 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | -178.5 | 118.2 | 128.1 | -102 | -167.9 | -176.8 | 0 | 0 | 111.1 | |||||
| 28 | R | 32.8 | Very low | 38.7 | Very low | 227 Ų | 227 | 140.8 Ų | 140.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -103.9 | 138.7 | 172.9 | -160.6 | -169.8 | -71 | -175.7 | -2.8 | 107.1 | ||||
| 29 | K | 33.2 | Very low | 38.8 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 84.2 | 115.4 | 164.6 | -54.2 | -173.9 | 176.2 | -170.9 | 0 | 117.4 | ||||
| 30 | L | 32.3 | Very low | 39 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | -177.7 | 143.4 | 119.8 | -99.6 | 142.5 | 0 | 0 | 0 | 111.7 | |||||
| 31 | S | 40.6 | Very low | 39.3 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 91.4 | 83.1 | 154.4 | -161.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 32 | T | 35.2 | Very low | 39.3 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | 12 | 131.9 | 123.6 | -0.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 33 | N | 36.3 | Very low | 40.1 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 58.5 | 118.8 | 143.7 | -67.6 | -6.6 | 0 | 0 | 0 | 120.9 | ||||
| 34 | T | 39.7 | Very low | 40.9 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | -170.8 | 121.5 | 115.7 | -72.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 35 | Y | 37 | Very low | 42.2 | Very low | 196 Ų | 196 | 146 Ų | 146 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -19.7 | 131.3 | 167.9 | -51 | -91.9 | 0 | 0 | 0 | 119 | ||||
| 36 | L | 42.3 | Very low | 43.7 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | -156.1 | 124.1 | 128.6 | -121.2 | 112.7 | 0 | 0 | 0 | 109.3 | |||||
| 37 | S | 36.7 | Very low | 45.3 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -62.8 | 125.3 | -178.6 | 46 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 38 | A | 48.4 | Very low | 46.4 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -129.6 | 148.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | P | 46.2 | Very low | 47.5 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -72.9 | 147.2 | -166.2 | 6.5 | 7.5 | 0 | 0 | 0 | 112.7 | D41 | P39-D41 VanDerWaalsContact C-N 3.28Å; P39-D41 PolarHBondContact O-N 3.1Å | ||
| 40 | S | 47.5 | Very low | 48.6 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 17.2 | -163.2 | -53.8 | 0 | 0 | 0 | 0 | 118.4 | ||
| 41 | D | 48.3 | Very low | 49.8 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | 21.9 | -169.3 | -68.3 | -36.3 | 0 | 0 | 0 | 115.6 | P39 | P39-D41 VanDerWaalsContact C-N 3.28Å; P39-D41 PolarHBondContact O-N 3.1Å |
| 42 | C | 41.7 | Very low | 50.6 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -134.3 | 70.4 | 173.1 | -82.9 | 0 | 0 | 0 | 0 | 111.4 | L44 | C42-L44 VanDerWaalsContact C-N 3.28Å; C42-L44 PolarHBondContact O-N 3.27Å | ||
| 43 | I | 55.3 | Low | 52 | Low | 164 Ų | 164 | 135.2 Ų | 135.2 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -76.1 | 89.6 | 161.2 | -55.7 | 172.5 | 0 | 0 | 0 | 106.1 | ||||
| 44 | L | 58.7 | Low | 53.9 | Low | 151 Ų | 151 | 133 Ų | 133 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.4 | 163.8 | -84.3 | 162.7 | 0 | 0 | 0 | 107.3 | C42 E46 | C42-L44 VanDerWaalsContact C-N 3.28Å; C42-L44 PolarHBondContact O-N 3.27Å; L44-E46 PolarHBondContact O-N 2.94Å |
| 45 | P | 67.9 | Low | 55.9 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 132.9 | 172.3 | 23 | -30.6 | 0 | 0 | 0 | 108 | ||
| 46 | E | 65.6 | Low | 58.2 | Low | 181 Ų | 181 | 126.4 Ų | 126.4 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 131.2 | 170.3 | -105.6 | -177.3 | 155.8 | 0 | 0 | 107.9 | L44 | L44-E46 PolarHBondContact O-N 2.94Š|
| 47 | P | 68 | Low | 60.2 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 136.8 | 175.7 | 23.4 | -31.9 | 0 | 0 | 0 | 108 | L49 | P47-L49 PolarHBondContact O-N 3.3Å; P47-L49 VanDerWaalsContact O-N 3.1Å |
| 48 | P | 60.6 | Low | 62.5 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127.1 | 176.8 | 22 | -31 | 0 | 0 | 0 | 107.8 | ||
| 49 | L | 56.9 | Low | 64.2 | Low | 158 Ų | 158 | 118.6 Ų | 118.6 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | -44.6 | 131.4 | 166.1 | -75.5 | 159.5 | 0 | 0 | 0 | 106.7 | P47 | P47-L49 PolarHBondContact O-N 3.3Å; P47-L49 VanDerWaalsContact O-N 3.1Å | ||
| 50 | P | 56 | Low | 65.9 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | trans | -50.7 | 124.3 | -179.4 | 21.3 | -31.5 | 0 | 0 | 0 | 106.8 | N52 | P50-N52 PolarHBondContact O-N 3.39Š| ||
| 51 | P | 56 | Low | 67.7 | Low | 96 Ų | 96 | 112 Ų | 112 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | trans | -54 | 141.5 | 175.7 | 23.4 | -30.7 | 0 | 0 | 0 | 105.9 | E53 | P51-E53 PolarHBondContact O-N 3.04Š| ||
| 52 | N | 58.3 | Low | 69.5 | Low | 143 Ų | 143 | 106.2 Ų | 106.2 | 77% | 0.765 | 61% | 0.613 | S | S | * | * | trans | -55.4 | 95 | 162.6 | -73.4 | -27.6 | 0 | 0 | 0 | 105.1 | P50 V54 | P50-N52 PolarHBondContact O-N 3.39Å; N52-V54 PolarHBondContact O-N 3.5Å | ||
| 53 | E | 65.1 | Low | 71.7 | Confident | 154 Ų | 154 | 101.6 Ų | 101.6 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | trans | -60 | 112.1 | -176.8 | -84.3 | -173 | 170 | 0 | 0 | 105 | P51 V55 | P51-E53 PolarHBondContact O-N 3.04Å; E53-V55 PolarHBondContact O-N 2.91Å | ||
| 54 | V | 75.1 | Confident | 73.3 | Confident | 86 Ų | 86 | 93.9 Ų | 93.9 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | trans | -70.6 | 88.7 | 178.9 | -180 | 0 | 0 | 0 | 0 | 106 | N52 L56 P62 | N52-V54 PolarHBondContact O-N 3.5Å; V54-L56 HydrophobicContact CG1-CD2 4.21Å; V54-L56 PolarHBondContact O-N 3.31Å; V54-P62 HydrophobicContact CG1-CB 3.53Å | ||
| 55 | V | 81.9 | Confident | 74.6 | Confident | 84 Ų | 84 | 89.5 Ų | 89.5 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | trans | -67.1 | 118.7 | 176.3 | -179 | 0 | 0 | 0 | 0 | 107.4 | E53 T63 | E53-V55 PolarHBondContact O-N 2.91Å; V55-T63 HydrophobicContact CB-CG2 4.44Å; V55-T63 HydrophobicContact CG1-CG2 4.11Å; V55-T63 WeakPolarHBondContact O-CB 3.31Å; V55-T63 VanDerWaalsContact O-CG2 3.26Å; V55-T63 WeakPolarHBondContact O-CG2 3.43Å; V55-T63 PolarHBondContact O-N 3.42Å; V55-T63 PolarHBondContact O-OG1 2.76Å | ||
| 56 | L | 84.7 | Confident | 75.4 | Confident | 103 Ų | 103 | 85.3 Ų | 85.3 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | B | Isolated β-bridge | trans | -84.2 | 143.5 | 177.6 | -59.1 | 177 | 0 | 0 | 0 | 110.9 | V54 E61 | V54-L56 HydrophobicContact CG1-CD2 4.21Å; V54-L56 PolarHBondContact O-N 3.31Å; L56-E61 CarbonylContact C-O 3.49Å; L56-E61 VanDerWaalsContact CA-O 3.28Å; L56-E61 WeakPolarHBondContact CA-O 3.37Å |
| 57 | N | 85.9 | Confident | 76.2 | Confident | 24 Ų | 24 | 78.6 Ų | 78.6 | 13% | 0.128 | 47% | 0.47 | C | S | . | . | trans | -81.1 | 179.7 | 170.5 | 68.5 | 22.9 | 0 | 0 | 0 | 110.8 | L59 G60 E61 T63 V87 | N57-L59 PolarHBondContact O-N 3.37Å; N57-L59 VanDerWaalsContact O-N 3.13Å; N57-L59 WeakPolarHBondContact OD1-CA 3.34Å; N57-L59 WeakPolarHBondContact OD1-CB 3.44Å; N57-L59 PolarHBondContact OD1-N 3.49Å; N57-G60 PolarHBondContact O-N 3.36Å; N57-G60 PolarHBondContact OD1-N 2.87Å; N57-E61 VanDerWaalsContact CG-O 3.23Å; N57-E61 PolarHBondContact N-O 2.87Å; N57-E61 PolarHBondContact OD1-N 3.45Å; N57-E61 PolarHBondContact OD1-O 3.01Å; N57-T63 HydrophobicContact CB-CG2 3.95Å; N57-V87 HydrophobicContact CB-CG1 4.26Å; N57-V87 HydrophobicContact CB-CG2 4.11Å; N57-V87 WeakPolarHBondContact ND2-CG2 3.3Å | ||
| 58 | T | 83.6 | Confident | 76.9 | Confident | 123 Ų | 123 | 76.8 Ų | 76.8 | 76% | 0.755 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14 | -177.9 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | V87 | T58-V87 WeakPolarHBondContact OG1-CG1 3.31Š|
| 59 | L | 84.4 | Confident | 78 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0 | 174.8 | -59.1 | 177.5 | 0 | 0 | 0 | 112.5 | N57 E61 V87 | N57-L59 PolarHBondContact O-N 3.37Å; N57-L59 VanDerWaalsContact O-N 3.13Å; N57-L59 WeakPolarHBondContact OD1-CA 3.34Å; N57-L59 WeakPolarHBondContact OD1-CB 3.44Å; N57-L59 PolarHBondContact OD1-N 3.49Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 HydrophobicContact CB-CG 4.37Å; L59-V87 HydrophobicContact CD1-CG2 4.32Å |
| 60 | G | 83 | Confident | 79.2 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 52% | 0.515 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 78.2 | 13.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | N57 | N57-G60 PolarHBondContact O-N 3.36Å; N57-G60 PolarHBondContact OD1-N 2.87Å |
| 61 | E | 85.1 | Confident | 80.6 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -97.3 | 150.7 | 177.4 | -57.5 | -175.8 | 177.2 | 0 | 0 | 110.9 | L56 N57 L59 T63 H86 S197 | L56-E61 CarbonylContact C-O 3.49Å; L56-E61 VanDerWaalsContact CA-O 3.28Å; L56-E61 WeakPolarHBondContact CA-O 3.37Å; N57-E61 VanDerWaalsContact CG-O 3.23Å; N57-E61 PolarHBondContact N-O 2.87Å; N57-E61 PolarHBondContact OD1-N 3.45Å; N57-E61 PolarHBondContact OD1-O 3.01Å; L59-E61 VanDerWaalsContact C-N 3.31Å; L59-E61 HydrophobicContact CB-CG 4.37Å; E61-T63 PolarHBondContact O-N 3.33Å; E61-H86 IonicContact OE1-NE2 3.89Å; E61-H86 IonicContact OE2-CD2 3.89Å; E61-H86 IonicContact OE2-NE2 3.78Å; E61-H86 PolarHBondContact OE2-NE2 3.32Å; E61-S197 WeakPolarHBondContact OE1-CB 3.46Å; E61-S197 PolarHBondContact OE1-OG 2.96Å; E61-S197 VanDerWaalsContact OE2-CB 3.26Å; E61-S197 WeakPolarHBondContact OE2-CB 3.23Å; E61-S197 PolarHBondContact OE2-OG 3.37Å |
| 62 | P | 86 | Confident | 82 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 20% | 0.201 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -57.5 | 128 | 173.6 | 26.2 | -36.1 | 0 | 0 | 0 | 110.9 | V54 L67 | V54-P62 HydrophobicContact CG1-CB 3.53Å; P62-L67 HydrophobicContact CB-CD1 4.22Å; P62-L67 HydrophobicContact CB-CD2 4.06Å; P62-L67 HydrophobicContact CB-CG 4.06Å; P62-L67 HydrophobicContact CG-CD1 4.06Å; P62-L67 HydrophobicContact CG-CD2 4.32Å; P62-L67 HydrophobicContact CG-CG 4.39Å |
| 63 | T | 88.2 | Confident | 83.4 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 14% | 0.135 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 146.1 | 173.1 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | V55 N57 E61 A65 S66 L67 E83 | V55-T63 HydrophobicContact CB-CG2 4.44Å; V55-T63 HydrophobicContact CG1-CG2 4.11Å; V55-T63 WeakPolarHBondContact O-CB 3.31Å; V55-T63 VanDerWaalsContact O-CG2 3.26Å; V55-T63 WeakPolarHBondContact O-CG2 3.43Å; V55-T63 PolarHBondContact O-N 3.42Å; V55-T63 PolarHBondContact O-OG1 2.76Å; N57-T63 HydrophobicContact CB-CG2 3.95Å; E61-T63 PolarHBondContact O-N 3.33Å; T63-A65 PolarHBondContact O-N 3.42Å; T63-S66 PolarHBondContact N-OG 3.25Å; T63-S66 PolarHBondContact O-N 3.23Å; T63-S66 PolarHBondContact O-OG 3.48Å; T63-S66 VanDerWaalsContact OG1-CB 3.31Å; T63-S66 WeakPolarHBondContact OG1-CB 3.5Å; T63-S66 PolarHBondContact OG1-N 3.25Å; T63-S66 PolarHBondContact OG1-OG 3.26Å; T63-L67 PolarHBondContact O-N 2.95Å; T63-E83 WeakPolarHBondContact CA-OE1 3.47Å; T63-E83 WeakPolarHBondContact CB-OE1 3.3Å |
| 64 | L | 88.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.5 | 179.9 | -62.7 | -173.1 | 0 | 0 | 0 | 111 | S66 L67 G68 L69 Q79 E83 W93 L190 V195 | L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.07Å; L64-L67 PolarHBondContact O-N 3.25Å; L64-L67 VanDerWaalsContact O-N 3.15Å; L64-G68 PolarHBondContact O-N 3.49Å; L64-L69 HydrophobicContact CB-CB 3.96Å; L64-L69 HydrophobicContact CB-CD1 4.38Å; L64-L69 HydrophobicContact CD2-CD1 3.91Å; L64-L69 WeakPolarHBondContact O-CA 3.47Å; L64-L69 VanDerWaalsContact O-CB 3.24Å; L64-L69 WeakPolarHBondContact O-CB 3.5Å; L64-L69 PolarHBondContact O-N 2.9Å; L64-Q79 HydrophobicContact CD1-CB 3.94Å; L64-Q79 WeakPolarHBondContact CD1-O 3.4Å; L64-E83 WeakPolarHBondContact CB-OE2 3.46Å; L64-E83 HydrophobicContact CD1-CB 3.78Å; L64-E83 HydrophobicContact CG-CB 4.12Å; L64-E83 HydrophobicContact CG-CG 4.33Å; L64-E83 PolarHBondContact N-OE1 2.92Å; L64-W93 HydrophobicContact CD2-CH2 4.46Å; L64-L190 HydrophobicContact CD1-CD1 4.17Å; L64-L190 HydrophobicContact CD2-CG 4.41Å; L64-V195 HydrophobicContact CD2-CG2 4.36Å |
| 65 | A | 86.7 | Confident | 85.6 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | T63 L67 G68 N70 | T63-A65 PolarHBondContact O-N 3.42Å; A65-L67 PolarHBondContact O-N 2.84Å; A65-G68 PolarHBondContact O-N 3.46Å; A65-N70 HydrophobicContact CB-CB 4.42Å |
| 66 | S | 84.1 | Confident | 86.1 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 16% | 0.161 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26 | 177.7 | 73.7 | 0 | 0 | 0 | 0 | 113.6 | T63 L64 G68 | T63-S66 PolarHBondContact N-OG 3.25Å; T63-S66 PolarHBondContact O-N 3.23Å; T63-S66 PolarHBondContact O-OG 3.48Å; T63-S66 VanDerWaalsContact OG1-CB 3.31Å; T63-S66 WeakPolarHBondContact OG1-CB 3.5Å; T63-S66 PolarHBondContact OG1-N 3.25Å; T63-S66 PolarHBondContact OG1-OG 3.26Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.07Å; S66-G68 PolarHBondContact O-N 3.32Å |
| 67 | L | 83.3 | Confident | 86.5 | Confident | 41 Ų | 41 | 59 Ų | 59 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 5.3 | 175 | -63.1 | 175.9 | 0 | 0 | 0 | 113.3 | P62 T63 L64 A65 L69 L193 V195 | P62-L67 HydrophobicContact CB-CD1 4.22Å; P62-L67 HydrophobicContact CB-CD2 4.06Å; P62-L67 HydrophobicContact CB-CG 4.06Å; P62-L67 HydrophobicContact CG-CD1 4.06Å; P62-L67 HydrophobicContact CG-CD2 4.32Å; P62-L67 HydrophobicContact CG-CG 4.39Å; T63-L67 PolarHBondContact O-N 2.95Å; L64-L67 PolarHBondContact O-N 3.25Å; L64-L67 VanDerWaalsContact O-N 3.15Å; A65-L67 PolarHBondContact O-N 2.84Å; L67-L69 VanDerWaalsContact C-N 3.25Å; L67-L69 HydrophobicContact CB-CD1 4.49Å; L67-L69 PolarHBondContact O-N 3.45Å; L67-L193 HydrophobicContact CB-CD1 4.41Å; L67-L193 WeakPolarHBondContact O-CD1 3.39Å; L67-V195 HydrophobicContact CD1-CG2 3.74Å |
| 68 | G | 82.6 | Confident | 86.9 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 71% | 0.711 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 13.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | L64 A65 S66 | L64-G68 PolarHBondContact O-N 3.49Å; A65-G68 PolarHBondContact O-N 3.46Å; S66-G68 PolarHBondContact O-N 3.32Å |
| 69 | L | 82.2 | Confident | 87.4 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -87.6 | -175.8 | 167.7 | -64.1 | 164.9 | 0 | 0 | 0 | 109.6 | L64 L67 L190 L193 | L64-L69 HydrophobicContact CB-CB 3.96Å; L64-L69 HydrophobicContact CB-CD1 4.38Å; L64-L69 HydrophobicContact CD2-CD1 3.91Å; L64-L69 WeakPolarHBondContact O-CA 3.47Å; L64-L69 VanDerWaalsContact O-CB 3.24Å; L64-L69 WeakPolarHBondContact O-CB 3.5Å; L64-L69 PolarHBondContact O-N 2.9Å; L67-L69 VanDerWaalsContact C-N 3.25Å; L67-L69 HydrophobicContact CB-CD1 4.49Å; L67-L69 PolarHBondContact O-N 3.45Å; L69-L190 HydrophobicContact CD1-CD1 4.01Å; L69-L190 HydrophobicContact CD1-CG 4.35Å; L69-L193 HydrophobicContact CD1-CD1 3.61Å; L69-L193 HydrophobicContact CD2-CD1 3.58Å; L69-L193 HydrophobicContact CG-CD1 3.36Å | ||
| 70 | N | 83.3 | Confident | 87.8 | Confident | 35 Ų | 35 | 50 Ų | 50 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | trans | 67.4 | 44.4 | -179.2 | -158.3 | -3.8 | 0 | 0 | 0 | 114.1 | A65 G76 | A65-N70 HydrophobicContact CB-CB 4.42Å; N70-G76 PolarHBondContact OD1-O 3.01Å | ||
| 71 | S | 84.9 | Confident | 88.4 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | trans | -65.1 | 166 | 173.7 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | W73 S75 G76 | S71-W73 PolarHBondContact O-N 3.41Å; S71-W73 VanDerWaalsContact O-N 3.14Å; S71-W73 PolarHBondContact OG-N 3.47Å; S71-S75 PolarHBondContact OG-OG 2.84Å; S71-G76 VanDerWaalsContact O-CA 3.25Å; S71-G76 WeakPolarHBondContact O-CA 3.29Å | ||
| 72 | Y | 85.3 | Confident | 88.9 | Confident | 179 Ų | 179 | 46.6 Ų | 46.6 | 70% | 0.702 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -70.7 | -3.2 | 173.7 | -168.4 | -103 | 0 | 0 | 0 | 113.8 | ||
| 73 | W | 88.7 | Confident | 89.3 | Confident | 189 Ų | 189 | 46.4 Ų | 46.4 | 72% | 0.716 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -80.1 | 159.9 | 176.1 | -68.4 | 95.6 | 0 | 0 | 0 | 111.1 | S71 S75 G76 W77 | S71-W73 PolarHBondContact O-N 3.41Å; S71-W73 VanDerWaalsContact O-N 3.14Å; S71-W73 PolarHBondContact OG-N 3.47Å; W73-S75 PolarHBondContact O-N 3.39Å; W73-G76 PolarHBondContact O-N 2.77Å; W73-W77 PolarHBondContact O-N 3.4Å |
| 74 | P | 91.5 | Very high | 89.5 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 38% | 0.377 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.3 | -26.9 | 178.3 | -29.8 | 36.2 | 0 | 0 | 0 | 114.7 | Y78 | P74-Y78 PolarHBondContact O-N 3.3Å; P74-Y78 VanDerWaalsContact O-N 3.15Å |
| 75 | S | 93.2 | Very high | 89.9 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 171.7 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | S71 W73 Y78 Q79 G182 T185 | S71-S75 PolarHBondContact OG-OG 2.84Å; W73-S75 PolarHBondContact O-N 3.39Å; S75-Y78 WeakPolarHBondContact O-CB 3.32Å; S75-Y78 PolarHBondContact O-N 2.74Å; S75-Q79 WeakPolarHBondContact O-CG 3.39Å; S75-Q79 PolarHBondContact O-N 3.05Å; S75-G182 WeakPolarHBondContact CA-O 3.25Å; S75-T185 VanDerWaalsContact CB-OG1 3.28Å; S75-T185 WeakPolarHBondContact CB-OG1 3.42Å |
| 76 | G | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.8 | -37.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | N70 S71 W73 Y78 Q79 S80 | N70-G76 PolarHBondContact OD1-O 3.01Å; S71-G76 VanDerWaalsContact O-CA 3.25Å; S71-G76 WeakPolarHBondContact O-CA 3.29Å; W73-G76 PolarHBondContact O-N 2.77Å; G76-Y78 VanDerWaalsContact C-N 3.29Å; G76-Y78 PolarHBondContact O-N 3.21Å; G76-Q79 WeakPolarHBondContact O-CB 3.48Å; G76-Q79 PolarHBondContact O-N 3.01Å; G76-Q79 VanDerWaalsContact O-N 3.13Å; G76-S80 WeakPolarHBondContact O-CB 3.48Å; G76-S80 PolarHBondContact O-N 3.09Å |
| 77 | W | 92.5 | Very high | 90.7 | Very high | 133 Ų | 133 | 44.9 Ų | 44.9 | 50% | 0.504 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 170.7 | -65.6 | -18.1 | 0 | 0 | 0 | 112.5 | W73 L81 | W73-W77 PolarHBondContact O-N 3.4Å; W77-L81 WeakPolarHBondContact O-CB 3.29Å; W77-L81 PolarHBondContact O-N 2.92Å |
| 78 | Y | 95.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 174.8 | 179.9 | -100.4 | 0 | 0 | 0 | 112.1 | P74 S75 G76 L81 L82 S100 I104 V183 I187 | P74-Y78 PolarHBondContact O-N 3.3Å; P74-Y78 VanDerWaalsContact O-N 3.15Å; S75-Y78 WeakPolarHBondContact O-CB 3.32Å; S75-Y78 PolarHBondContact O-N 2.74Å; G76-Y78 VanDerWaalsContact C-N 3.29Å; G76-Y78 PolarHBondContact O-N 3.21Å; Y78-L81 WeakPolarHBondContact O-CB 3.4Å; Y78-L81 PolarHBondContact O-N 3.25Å; Y78-L82 HydrophobicContact CD1-CD1 4.03Å; Y78-L82 HydrophobicContact CD1-CG 4.29Å; Y78-L82 HydrophobicContact CE1-CD1 3.37Å; Y78-L82 HydrophobicContact CE1-CD2 4.32Å; Y78-L82 HydrophobicContact CE1-CG 3.76Å; Y78-L82 PolarHBondContact O-N 2.91Å; Y78-S100 PolarHBondContact OH-OG 3.07Å; Y78-I104 HydrophobicContact CD2-CD1 3.7Å; Y78-I104 HydrophobicContact CE2-CD1 3.74Å; Y78-V183 HydrophobicContact CD1-CG1 4.36Å; Y78-V183 HydrophobicContact CD2-CB 4.33Å; Y78-V183 HydrophobicContact CD2-CG1 4.34Å; Y78-V183 HydrophobicContact CD2-CG2 3.68Å; Y78-V183 HydrophobicContact CE1-CG1 3.86Å; Y78-V183 HydrophobicContact CE2-CB 4.28Å; Y78-V183 HydrophobicContact CE2-CG1 3.81Å; Y78-V183 HydrophobicContact CE2-CG2 3.78Å; Y78-V183 HydrophobicContact CG-CB 4.44Å; Y78-V183 HydrophobicContact CG-CG2 4.14Å; Y78-I187 HydrophobicContact CD1-CG1 4.46Å; Y78-I187 HydrophobicContact CE1-CD1 4.14Å; Y78-I187 HydrophobicContact CE1-CG1 3.5Å |
| 79 | Q | 94.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.6 | -67.2 | 170.7 | -19.6 | 0 | 0 | 111.6 | L64 S75 G76 L81 L82 E83 G186 L190 | L64-Q79 HydrophobicContact CD1-CB 3.94Å; L64-Q79 WeakPolarHBondContact CD1-O 3.4Å; S75-Q79 WeakPolarHBondContact O-CG 3.39Å; S75-Q79 PolarHBondContact O-N 3.05Å; G76-Q79 WeakPolarHBondContact O-CB 3.48Å; G76-Q79 PolarHBondContact O-N 3.01Å; G76-Q79 VanDerWaalsContact O-N 3.13Å; Q79-L81 VanDerWaalsContact C-N 3.3Å; Q79-L81 PolarHBondContact O-N 3.49Å; Q79-L82 WeakPolarHBondContact O-CB 3.29Å; Q79-L82 PolarHBondContact O-N 2.92Å; Q79-L82 VanDerWaalsContact O-N 3.13Å; Q79-E83 PolarHBondContact O-N 3.33Å; Q79-G186 PolarHBondContact NE2-O 3Å; Q79-L190 HydrophobicContact CB-CD1 4.14Å; Q79-L190 HydrophobicContact CG-CD1 3.45Å; Q79-L190 VanDerWaalsContact CG-CD1 3.45Å |
| 80 | S | 92.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 56 Ų | 56 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | G76 E83 T84 | G76-S80 WeakPolarHBondContact O-CB 3.48Å; G76-S80 PolarHBondContact O-N 3.09Å; S80-E83 PolarHBondContact O-N 3.44Å; S80-T84 WeakPolarHBondContact O-CB 3.48Å; S80-T84 PolarHBondContact O-N 2.94Å; S80-T84 PolarHBondContact O-OG1 2.98Å |
| 81 | L | 95.1 | Very high | 92.6 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.2 | 175.8 | 62.7 | 0 | 0 | 0 | 111.3 | F11 W77 Y78 Q79 T84 L85 L103 I104 | F11-L81 HydrophobicContact CE2-CD1 4.19Å; W77-L81 WeakPolarHBondContact O-CB 3.29Å; W77-L81 PolarHBondContact O-N 2.92Å; Y78-L81 WeakPolarHBondContact O-CB 3.4Å; Y78-L81 PolarHBondContact O-N 3.25Å; Q79-L81 VanDerWaalsContact C-N 3.3Å; Q79-L81 PolarHBondContact O-N 3.49Å; L81-T84 PolarHBondContact O-N 3.37Å; L81-L85 HydrophobicContact CD1-CD1 4.14Å; L81-L85 HydrophobicContact CD1-CG 4.15Å; L81-L85 HydrophobicContact CG-CD1 4.11Å; L81-L85 WeakPolarHBondContact O-CB 3.43Å; L81-L85 VanDerWaalsContact O-CG 3.23Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 3.2Å; L81-L103 HydrophobicContact CD1-CD2 4.15Å; L81-L103 HydrophobicContact CD2-CD2 4.45Å; L81-I104 HydrophobicContact CD2-CD1 4.44Å |
| 82 | L | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 177.3 | -74.3 | -178.7 | 0 | 0 | 0 | 112.2 | Y78 Q79 T84 L85 H86 W93 A96 I97 S100 L190 | Y78-L82 HydrophobicContact CD1-CD1 4.03Å; Y78-L82 HydrophobicContact CD1-CG 4.29Å; Y78-L82 HydrophobicContact CE1-CD1 3.37Å; Y78-L82 HydrophobicContact CE1-CD2 4.32Å; Y78-L82 HydrophobicContact CE1-CG 3.76Å; Y78-L82 PolarHBondContact O-N 2.91Å; Q79-L82 WeakPolarHBondContact O-CB 3.29Å; Q79-L82 PolarHBondContact O-N 2.92Å; Q79-L82 VanDerWaalsContact O-N 3.13Å; L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 3.5Å; L82-L85 PolarHBondContact O-N 3.23Å; L82-H86 WeakPolarHBondContact O-CB 3.26Å; L82-H86 PolarHBondContact O-N 3.23Å; L82-W93 HydrophobicContact CB-CZ3 4.12Å; L82-A96 HydrophobicContact CD2-CB 4.22Å; L82-I97 HydrophobicContact CD2-CG1 4.03Å; L82-S100 WeakPolarHBondContact CD2-OG 3.38Å; L82-L190 HydrophobicContact CD1-CD2 3.85Å |
| 83 | E | 93.3 | Very high | 93.7 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.5 | -176.3 | 170.7 | -153.3 | 0 | 0 | 111.1 | T63 L64 Q79 S80 L85 H86 V87 | T63-E83 WeakPolarHBondContact CA-OE1 3.47Å; T63-E83 WeakPolarHBondContact CB-OE1 3.3Å; L64-E83 WeakPolarHBondContact CB-OE2 3.46Å; L64-E83 HydrophobicContact CD1-CB 3.78Å; L64-E83 HydrophobicContact CG-CB 4.12Å; L64-E83 HydrophobicContact CG-CG 4.33Å; L64-E83 PolarHBondContact N-OE1 2.92Å; Q79-E83 PolarHBondContact O-N 3.33Å; S80-E83 PolarHBondContact O-N 3.44Å; E83-L85 PolarHBondContact O-N 3.39Å; E83-H86 PolarHBondContact O-N 3.28Å; E83-V87 HydrophobicContact CG-CG2 4.03Å; E83-V87 VanDerWaalsContact O-CB 3.22Å; E83-V87 WeakPolarHBondContact O-CB 3.31Å; E83-V87 VanDerWaalsContact O-CG2 3.25Å; E83-V87 WeakPolarHBondContact O-CG2 3.27Å; E83-V87 PolarHBondContact O-N 2.68Å |
| 84 | T | 93.6 | Very high | 94 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | I10 S80 L81 L82 H88 | I10-T84 HydrophobicContact CG2-CG2 4.03Å; S80-T84 WeakPolarHBondContact O-CB 3.48Å; S80-T84 PolarHBondContact O-N 2.94Å; S80-T84 PolarHBondContact O-OG1 2.98Å; L81-T84 PolarHBondContact O-N 3.37Å; L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 3.5Å; T84-H88 HydrophobicContact CG2-CB 4.48Å; T84-H88 WeakPolarHBondContact O-CA 3.3Å; T84-H88 VanDerWaalsContact O-CB 3.24Å; T84-H88 WeakPolarHBondContact O-CB 3.4Å; T84-H88 PolarHBondContact O-N 2.99Å; T84-H88 PolarHBondContact O-ND1 2.93Å |
| 85 | L | 95.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 178.4 | -68.1 | 173.6 | 0 | 0 | 0 | 112.2 | L81 L82 E83 L89 L91 A96 A99 | L81-L85 HydrophobicContact CD1-CD1 4.14Å; L81-L85 HydrophobicContact CD1-CG 4.15Å; L81-L85 HydrophobicContact CG-CD1 4.11Å; L81-L85 WeakPolarHBondContact O-CB 3.43Å; L81-L85 VanDerWaalsContact O-CG 3.23Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 3.2Å; L82-L85 PolarHBondContact O-N 3.23Å; E83-L85 PolarHBondContact O-N 3.39Å; L85-L89 HydrophobicContact CD2-CD1 3.45Å; L85-L89 VanDerWaalsContact CD2-CD1 3.45Å; L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 PolarHBondContact O-N 2.63Å; L85-L91 HydrophobicContact CB-CD1 4.37Å; L85-L91 WeakPolarHBondContact O-CB 3.39Å; L85-A96 HydrophobicContact CB-CB 3.94Å; L85-A96 WeakPolarHBondContact CD1-O 3.5Å; L85-A99 HydrophobicContact CD1-CB 4.23Å |
| 86 | H | 95.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 7% | 0.069 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.2 | -48.6 | 179.6 | -177.9 | 51.7 | 0 | 0 | 0 | 111.7 | E61 L82 E83 D90 L91 W93 A96 | E61-H86 IonicContact OE1-NE2 3.89Å; E61-H86 IonicContact OE2-CD2 3.89Å; E61-H86 IonicContact OE2-NE2 3.78Å; E61-H86 PolarHBondContact OE2-NE2 3.32Å; L82-H86 WeakPolarHBondContact O-CB 3.26Å; L82-H86 PolarHBondContact O-N 3.23Å; E83-H86 PolarHBondContact O-N 3.28Å; H86-D90 WeakPolarHBondContact O-CA 3.5Å; H86-D90 PolarHBondContact O-N 3.49Å; H86-L91 WeakPolarHBondContact CA-O 3.43Å; H86-L91 PolarHBondContact ND1-O 3.01Å; H86-L91 PolarHBondContact O-N 3.04Å; H86-W93 HydrophobicContact CB-CE3 4.41Å; H86-W93 HydrophobicContact CB-CH2 4.29Å; H86-W93 HydrophobicContact CB-CZ2 4.48Å; H86-W93 HydrophobicContact CB-CZ3 4.26Å; H86-W93 AromaticContact CD2-CE2 3.49Å; H86-W93 VanDerWaalsContact CD2-CE2 3.49Å; H86-W93 AromaticContact CD2-CH2 3.93Å; H86-W93 AromaticContact CD2-CZ2 3.34Å; H86-W93 WeakPolarHBondContact CD2-CZ2 3.33Å; H86-W93 AromaticContact CD2-NE1 3.79Å; H86-W93 AromaticContact CE1-CD1 3.87Å; H86-W93 AromaticContact CE1-CE2 3.97Å; H86-W93 AromaticContact CE1-NE1 3.62Å; H86-W93 AromaticContact CG-CE2 3.84Å; H86-W93 AromaticContact CG-CZ2 3.93Å; H86-W93 AromaticContact NE2-CE2 3.58Å; H86-W93 AromaticContact NE2-CZ2 3.81Å; H86-W93 AromaticContact NE2-NE1 3.35Å; H86-W93 PolarHBondContact NE2-NE1 2.74Å; H86-A96 HydrophobicContact CB-CB 4.4Å |
| 87 | V | 93.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -84.4 | -39.8 | -171.5 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | N57 T58 L59 E83 | N57-V87 HydrophobicContact CB-CG1 4.26Å; N57-V87 HydrophobicContact CB-CG2 4.11Å; N57-V87 WeakPolarHBondContact ND2-CG2 3.3Å; T58-V87 WeakPolarHBondContact OG1-CG1 3.31Å; L59-V87 HydrophobicContact CD1-CG2 4.32Å; E83-V87 HydrophobicContact CG-CG2 4.03Å; E83-V87 VanDerWaalsContact O-CB 3.22Å; E83-V87 WeakPolarHBondContact O-CB 3.31Å; E83-V87 VanDerWaalsContact O-CG2 3.25Å; E83-V87 WeakPolarHBondContact O-CG2 3.27Å; E83-V87 PolarHBondContact O-N 2.68Å |
| 88 | H | 91.9 | Very high | 95 | Very high | 136 Ų | 136 | 34.9 Ų | 34.9 | 63% | 0.63 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -95.4 | -21.4 | -174.3 | -62.8 | 75 | 0 | 0 | 0 | 113.9 | T84 | T84-H88 HydrophobicContact CG2-CB 4.48Å; T84-H88 WeakPolarHBondContact O-CA 3.3Å; T84-H88 VanDerWaalsContact O-CB 3.24Å; T84-H88 WeakPolarHBondContact O-CB 3.4Å; T84-H88 PolarHBondContact O-N 2.99Å; T84-H88 PolarHBondContact O-ND1 2.93Å |
| 89 | L | 93.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 36 Ų | 36 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -108.2 | 5.9 | 175.8 | -59.9 | 175.8 | 0 | 0 | 0 | 112.5 | L85 L91 | L85-L89 HydrophobicContact CD2-CD1 3.45Å; L85-L89 VanDerWaalsContact CD2-CD1 3.45Å; L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 PolarHBondContact O-N 2.63Å; L89-L91 HydrophobicContact CB-CD1 4.18Å; L89-L91 HydrophobicContact CB-CG 3.95Å; L89-L91 HydrophobicContact CD1-CD1 4.24Å; L89-L91 PolarHBondContact O-N 3.47Å; L89-L91 VanDerWaalsContact O-N 3.08Å |
| 90 | D | 92.4 | Very high | 95.2 | Very high | 121 Ų | 121 | 35.8 Ų | 35.8 | 65% | 0.647 | 19% | 0.191 | S | C | * | . | trans | 49.1 | 34.5 | -177.4 | -60.8 | -46.1 | 0 | 0 | 0 | 112.9 | H86 | H86-D90 WeakPolarHBondContact O-CA 3.5Å; H86-D90 PolarHBondContact O-N 3.49Å | ||
| 91 | L | 94.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | trans | -83 | 133.1 | 179.3 | -69.1 | 176.1 | 0 | 0 | 0 | 109.6 | L85 H86 L89 A96 A99 | L85-L91 HydrophobicContact CB-CD1 4.37Å; L85-L91 WeakPolarHBondContact O-CB 3.39Å; H86-L91 WeakPolarHBondContact CA-O 3.43Å; H86-L91 PolarHBondContact ND1-O 3.01Å; H86-L91 PolarHBondContact O-N 3.04Å; L89-L91 HydrophobicContact CB-CD1 4.18Å; L89-L91 HydrophobicContact CB-CG 3.95Å; L89-L91 HydrophobicContact CD1-CD1 4.24Å; L89-L91 PolarHBondContact O-N 3.47Å; L89-L91 VanDerWaalsContact O-N 3.08Å; L91-A96 HydrophobicContact CB-CB 4.44Å; L91-A99 HydrophobicContact CD1-CB 4.01Å | ||
| 92 | P | 95.2 | Very high | 95.5 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 34% | 0.344 | 20% | 0.199 | S | C | . | . | trans | -59.6 | 155.7 | 168 | 28.2 | -35.7 | 0 | 0 | 0 | 110.2 | W94 G95 A96 | P92-W94 VanDerWaalsContact C-N 3.28Å; P92-W94 HydrophobicContact CG-CD2 4.44Å; P92-W94 HydrophobicContact CG-CG 4.41Å; P92-W94 HydrophobicContact CG-CZ2 4.19Å; P92-W94 PolarHBondContact O-N 3.18Å; P92-W94 VanDerWaalsContact O-N 3.17Å; P92-G95 CarbonylContact O-C 3.54Å; P92-G95 VanDerWaalsContact O-CA 3.28Å; P92-G95 WeakPolarHBondContact O-CA 3.38Å; P92-G95 PolarHBondContact O-N 2.91Å; P92-A96 PolarHBondContact O-N 3.47Å | ||
| 93 | W | 96.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.4 | -39.8 | -174.7 | -75.1 | 107.9 | 0 | 0 | 0 | 113.8 | L64 L82 H86 G95 A96 I97 L190 V195 S197 L198 G201 L209 | L64-W93 HydrophobicContact CD2-CH2 4.46Å; L82-W93 HydrophobicContact CB-CZ3 4.12Å; H86-W93 HydrophobicContact CB-CE3 4.41Å; H86-W93 HydrophobicContact CB-CH2 4.29Å; H86-W93 HydrophobicContact CB-CZ2 4.48Å; H86-W93 HydrophobicContact CB-CZ3 4.26Å; H86-W93 AromaticContact CD2-CE2 3.49Å; H86-W93 VanDerWaalsContact CD2-CE2 3.49Å; H86-W93 AromaticContact CD2-CH2 3.93Å; H86-W93 AromaticContact CD2-CZ2 3.34Å; H86-W93 WeakPolarHBondContact CD2-CZ2 3.33Å; H86-W93 AromaticContact CD2-NE1 3.79Å; H86-W93 AromaticContact CE1-CD1 3.87Å; H86-W93 AromaticContact CE1-CE2 3.97Å; H86-W93 AromaticContact CE1-NE1 3.62Å; H86-W93 AromaticContact CG-CE2 3.84Å; H86-W93 AromaticContact CG-CZ2 3.93Å; H86-W93 AromaticContact NE2-CE2 3.58Å; H86-W93 AromaticContact NE2-CZ2 3.81Å; H86-W93 AromaticContact NE2-NE1 3.35Å; H86-W93 PolarHBondContact NE2-NE1 2.74Å; W93-G95 VanDerWaalsContact C-N 3.26Å; W93-G95 PolarHBondContact O-N 2.83Å; W93-A96 PolarHBondContact O-N 3.36Å; W93-I97 VanDerWaalsContact O-CG1 3.29Å; W93-I97 WeakPolarHBondContact O-CG1 3.35Å; W93-I97 PolarHBondContact O-N 2.93Å; W93-L190 HydrophobicContact CE3-CD2 4.28Å; W93-L190 HydrophobicContact CH2-CD2 4.22Å; W93-L190 HydrophobicContact CZ3-CD2 3.72Å; W93-V195 HydrophobicContact CZ2-CG1 4.15Å; W93-S197 VanDerWaalsContact CD1-O 3.23Å; W93-S197 PolarHBondContact NE1-OG 3.21Å; W93-L198 HydrophobicContact CB-CG 4.49Å; W93-L198 HydrophobicContact CD2-CD1 3.75Å; W93-L198 HydrophobicContact CD2-CG 4.14Å; W93-L198 HydrophobicContact CE3-CD1 4.13Å; W93-L198 HydrophobicContact CG-CD1 4.15Å; W93-L198 HydrophobicContact CG-CG 4.06Å; W93-L198 HydrophobicContact CH2-CD1 4.35Å; W93-L198 HydrophobicContact CZ2-CD1 3.99Å; W93-L198 HydrophobicContact CZ3-CD1 4.41Å; W93-G201 PolarHBondContact N-O 3.23Å; W93-L209 HydrophobicContact CB-CD1 3.46Å; W93-L209 VanDerWaalsContact CB-CD1 3.46Å |
| 94 | W | 96.8 | Very high | 95.7 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -38.7 | 173.7 | 74.6 | -95.7 | 0 | 0 | 0 | 111.9 | P92 A98 G201 G202 T203 W269 | P92-W94 VanDerWaalsContact C-N 3.28Å; P92-W94 HydrophobicContact CG-CD2 4.44Å; P92-W94 HydrophobicContact CG-CG 4.41Å; P92-W94 HydrophobicContact CG-CZ2 4.19Å; P92-W94 PolarHBondContact O-N 3.18Å; P92-W94 VanDerWaalsContact O-N 3.17Å; W94-A98 WeakPolarHBondContact O-CB 3.45Å; W94-A98 PolarHBondContact O-N 3.25Å; W94-G201 VanDerWaalsContact CD1-O 3.29Å; W94-G201 PolarHBondContact N-O 2.91Å; W94-G202 VanDerWaalsContact CD1-O 3.23Å; W94-T203 HydrophobicContact CB-CG2 4.39Å; W94-T203 HydrophobicContact CD2-CG2 3.77Å; W94-T203 HydrophobicContact CE3-CG2 4.18Å; W94-T203 HydrophobicContact CG-CG2 3.86Å; W94-W269 AromaticContact CE3-CZ2 3.78Å; W94-W269 HydrophobicContact CE3-CZ2 3.78Å; W94-W269 HydrophobicContact CZ3-CZ2 4.24Å; W94-W269 PolarHBondContact O-NE1 3.4Å |
| 95 | G | 97.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.9 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P92 W93 A98 A99 | P92-G95 CarbonylContact O-C 3.54Å; P92-G95 VanDerWaalsContact O-CA 3.28Å; P92-G95 WeakPolarHBondContact O-CA 3.38Å; P92-G95 PolarHBondContact O-N 2.91Å; W93-G95 VanDerWaalsContact C-N 3.26Å; W93-G95 PolarHBondContact O-N 2.83Å; G95-A98 PolarHBondContact O-N 3.46Å; G95-A99 VanDerWaalsContact O-CB 3.23Å; G95-A99 WeakPolarHBondContact O-CB 3.49Å; G95-A99 PolarHBondContact O-N 2.9Å |
| 96 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L82 L85 H86 L91 P92 W93 S100 | L82-A96 HydrophobicContact CD2-CB 4.22Å; L85-A96 HydrophobicContact CB-CB 3.94Å; L85-A96 WeakPolarHBondContact CD1-O 3.5Å; H86-A96 HydrophobicContact CB-CB 4.4Å; L91-A96 HydrophobicContact CB-CB 4.44Å; P92-A96 PolarHBondContact O-N 3.47Å; W93-A96 PolarHBondContact O-N 3.36Å; A96-S100 VanDerWaalsContact O-CB 3.31Å; A96-S100 WeakPolarHBondContact O-CB 3.42Å; A96-S100 PolarHBondContact O-N 3.24Å; A96-S100 PolarHBondContact O-OG 3.34Å |
| 97 | I | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 173.7 | -66.3 | 166.3 | 0 | 0 | 0 | 110.6 | L82 W93 S100 T101 I187 L209 A266 | L82-I97 HydrophobicContact CD2-CG1 4.03Å; W93-I97 VanDerWaalsContact O-CG1 3.29Å; W93-I97 WeakPolarHBondContact O-CG1 3.35Å; W93-I97 PolarHBondContact O-N 2.93Å; I97-S100 PolarHBondContact O-OG 3.42Å; I97-T101 WeakPolarHBondContact O-CB 3.49Å; I97-T101 PolarHBondContact O-N 3.41Å; I97-T101 PolarHBondContact O-OG1 3.08Å; I97-I187 HydrophobicContact CG2-CD1 4.48Å; I97-L209 HydrophobicContact CD1-CD1 4.28Å; I97-A266 HydrophobicContact CD1-CB 4.03Å |
| 98 | A | 97.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W94 G95 T101 I102 W269 V273 | W94-A98 WeakPolarHBondContact O-CB 3.45Å; W94-A98 PolarHBondContact O-N 3.25Å; G95-A98 PolarHBondContact O-N 3.46Å; A98-T101 WeakPolarHBondContact O-CB 3.06Å; A98-T101 PolarHBondContact O-N 3.33Å; A98-I102 VanDerWaalsContact O-CG1 3.29Å; A98-I102 WeakPolarHBondContact O-CG1 3.27Å; A98-I102 PolarHBondContact O-N 3.45Å; A98-W269 HydrophobicContact CB-CZ2 4.23Å; A98-V273 HydrophobicContact CB-CG1 4.32Å; A98-V273 HydrophobicContact CB-CG2 3.93Å |
| 99 | A | 97.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65 | -45.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L85 L91 G95 T101 I102 L103 | L85-A99 HydrophobicContact CD1-CB 4.23Å; L91-A99 HydrophobicContact CD1-CB 4.01Å; G95-A99 VanDerWaalsContact O-CB 3.23Å; G95-A99 WeakPolarHBondContact O-CB 3.49Å; G95-A99 PolarHBondContact O-N 2.9Å; A99-T101 VanDerWaalsContact C-N 3.32Å; A99-T101 PolarHBondContact O-N 3.5Å; A99-I102 PolarHBondContact O-N 2.96Å; A99-L103 WeakPolarHBondContact O-CB 3.44Å; A99-L103 PolarHBondContact O-N 3.44Å |
| 100 | S | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 175 | 55 | 0 | 0 | 0 | 0 | 111.7 | Y78 L82 A96 I97 L103 I104 | Y78-S100 PolarHBondContact OH-OG 3.07Å; L82-S100 WeakPolarHBondContact CD2-OG 3.38Å; A96-S100 VanDerWaalsContact O-CB 3.31Å; A96-S100 WeakPolarHBondContact O-CB 3.42Å; A96-S100 PolarHBondContact O-N 3.24Å; A96-S100 PolarHBondContact O-OG 3.34Å; I97-S100 PolarHBondContact O-OG 3.42Å; S100-L103 PolarHBondContact O-N 2.99Å; S100-I104 WeakPolarHBondContact O-CB 3.17Å; S100-I104 VanDerWaalsContact O-CG1 3.3Å; S100-I104 WeakPolarHBondContact O-CG1 3.3Å; S100-I104 PolarHBondContact O-N 2.81Å |
| 101 | T | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -49 | 176 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | I97 A98 A99 L103 I104 R105 Y270 V273 | I97-T101 WeakPolarHBondContact O-CB 3.49Å; I97-T101 PolarHBondContact O-N 3.41Å; I97-T101 PolarHBondContact O-OG1 3.08Å; A98-T101 WeakPolarHBondContact O-CB 3.06Å; A98-T101 PolarHBondContact O-N 3.33Å; A99-T101 VanDerWaalsContact C-N 3.32Å; A99-T101 PolarHBondContact O-N 3.5Å; T101-L103 VanDerWaalsContact C-N 3.34Å; T101-L103 PolarHBondContact O-N 2.93Å; T101-I104 PolarHBondContact O-N 3.18Å; T101-R105 HydrophobicContact CG2-CG 4.39Å; T101-R105 WeakPolarHBondContact O-CB 3.42Å; T101-R105 WeakPolarHBondContact O-CG 3.37Å; T101-R105 PolarHBondContact O-N 3.37Å; T101-Y270 HydrophobicContact CG2-CD2 4.04Å; T101-Y270 HydrophobicContact CG2-CE2 3.97Å; T101-Y270 VanDerWaalsContact OG1-CD2 3.27Å; T101-Y270 WeakPolarHBondContact OG1-CD2 3.23Å; T101-V273 HydrophobicContact CG2-CB 4.25Å; T101-V273 HydrophobicContact CG2-CG1 3.95Å |
| 102 | I | 97.3 | Very high | 95.3 | Very high | 72 Ų | 72 | 38.3 Ų | 38.3 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 178.1 | -67.4 | 163.9 | 0 | 0 | 0 | 110 | A98 A99 R105 M106 V273 V277 | A98-I102 VanDerWaalsContact O-CG1 3.29Å; A98-I102 WeakPolarHBondContact O-CG1 3.27Å; A98-I102 PolarHBondContact O-N 3.45Å; A99-I102 PolarHBondContact O-N 2.96Å; I102-R105 PolarHBondContact O-N 3.11Å; I102-M106 HydrophobicContact CG2-CE 4.23Å; I102-M106 HydrophobicContact CG2-CG 4.27Å; I102-M106 VanDerWaalsContact O-CG 3.26Å; I102-M106 WeakPolarHBondContact O-CG 3.3Å; I102-M106 PolarHBondContact O-N 3.17Å; I102-V273 HydrophobicContact CD1-CG1 4.43Å; I102-V273 HydrophobicContact CG1-CG1 4.05Å; I102-V277 HydrophobicContact CG1-CG2 3.91Å |
| 103 | L | 96.4 | Very high | 95.1 | Very high | 47 Ų | 47 | 36.4 Ų | 36.4 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -51.2 | 179.1 | -179.2 | 62.9 | 0 | 0 | 0 | 111.7 | L81 A99 S100 T101 R105 M106 C107 | L81-L103 HydrophobicContact CD1-CD2 4.15Å; L81-L103 HydrophobicContact CD2-CD2 4.45Å; A99-L103 WeakPolarHBondContact O-CB 3.44Å; A99-L103 PolarHBondContact O-N 3.44Å; S100-L103 PolarHBondContact O-N 2.99Å; T101-L103 VanDerWaalsContact C-N 3.34Å; T101-L103 PolarHBondContact O-N 2.93Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.97Å; L103-M106 PolarHBondContact O-N 3.45Å; L103-C107 PolarHBondContact O-N 3.14Å; L103-C107 PolarHBondContact O-SG 2.86Å; L103-C107 VanDerWaalsContact O-SG 3.34Å |
| 104 | I | 95.5 | Very high | 94.7 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 177.7 | -68.5 | 168.4 | 0 | 0 | 0 | 110.1 | Y78 L81 S100 T101 M106 C107 M108 I179 V183 | Y78-I104 HydrophobicContact CD2-CD1 3.7Å; Y78-I104 HydrophobicContact CE2-CD1 3.74Å; L81-I104 HydrophobicContact CD2-CD1 4.44Å; S100-I104 WeakPolarHBondContact O-CB 3.17Å; S100-I104 VanDerWaalsContact O-CG1 3.3Å; S100-I104 WeakPolarHBondContact O-CG1 3.3Å; S100-I104 PolarHBondContact O-N 2.81Å; T101-I104 PolarHBondContact O-N 3.18Å; I104-M106 VanDerWaalsContact C-N 3.32Å; I104-M106 PolarHBondContact O-N 2.75Å; I104-C107 PolarHBondContact O-N 3.21Å; I104-M108 HydrophobicContact CG2-CG 4.29Å; I104-M108 HydrophobicContact CG2-SD 3.9Å; I104-M108 WeakPolarHBondContact O-CB 3.23Å; I104-M108 VanDerWaalsContact O-CG 3.26Å; I104-M108 WeakPolarHBondContact O-CG 3.19Å; I104-M108 PolarHBondContact O-N 2.96Å; I104-I179 HydrophobicContact CG2-CG2 3.71Å; I104-V183 HydrophobicContact CD1-CG2 3.85Å |
| 105 | R | 94.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 41 Ų | 41 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 178.9 | -72.7 | -64.6 | -164.9 | 137.5 | -0.1 | 113.1 | T101 I102 L103 F109 S274 V277 S278 Q281 | T101-R105 HydrophobicContact CG2-CG 4.39Å; T101-R105 WeakPolarHBondContact O-CB 3.42Å; T101-R105 WeakPolarHBondContact O-CG 3.37Å; T101-R105 PolarHBondContact O-N 3.37Å; I102-R105 PolarHBondContact O-N 3.11Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.97Å; R105-F109 PolarHBondContact O-N 2.81Å; R105-F109 VanDerWaalsContact O-N 3.12Å; R105-S274 VanDerWaalsContact CZ-OG 3.28Å; R105-S274 PolarHBondContact NE-OG 3.25Å; R105-S274 PolarHBondContact NH2-O 2.94Å; R105-S274 PolarHBondContact NH2-OG 2.78Å; R105-V277 HydrophobicContact CB-CB 4.49Å; R105-V277 HydrophobicContact CB-CG1 3.64Å; R105-V277 HydrophobicContact CG-CB 4.35Å; R105-V277 HydrophobicContact CG-CG1 3.97Å; R105-S278 PolarHBondContact NH1-OG 3.3Å; R105-S278 PolarHBondContact NH2-OG 3.12Å; R105-Q281 PolarHBondContact O-NE2 3.41Å |
| 106 | M | 94.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 42.4 Ų | 42.4 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -70 | -43.2 | 173.9 | -68.6 | -58.7 | 173.8 | 0 | 0 | 111.4 | I102 L103 I104 M108 F109 | I102-M106 HydrophobicContact CG2-CE 4.23Å; I102-M106 HydrophobicContact CG2-CG 4.27Å; I102-M106 VanDerWaalsContact O-CG 3.26Å; I102-M106 WeakPolarHBondContact O-CG 3.3Å; I102-M106 PolarHBondContact O-N 3.17Å; L103-M106 PolarHBondContact O-N 3.45Å; I104-M106 VanDerWaalsContact C-N 3.32Å; I104-M106 PolarHBondContact O-N 2.75Å; M106-M108 VanDerWaalsContact C-N 3.26Å; M106-M108 PolarHBondContact O-N 3.22Å; M106-F109 WeakPolarHBondContact O-CB 3.31Å; M106-F109 PolarHBondContact O-N 3.39Å; M106-F109 VanDerWaalsContact O-N 3.17Å |
| 107 | C | 94.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 46.6 Ų | 46.6 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -61.5 | -35.2 | 174 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | L103 I104 P110 | L103-C107 PolarHBondContact O-N 3.14Å; L103-C107 PolarHBondContact O-SG 2.86Å; L103-C107 VanDerWaalsContact O-SG 3.34Å; I104-C107 PolarHBondContact O-N 3.21Å; C107-P110 WeakPolarHBondContact O-CD 3.35Å |
| 108 | M | 92.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 11% | 0.108 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.2 | 177.9 | -68.4 | -173.2 | 73.5 | 0 | 0 | 114.4 | I104 M106 P110 V111 M112 Q176 I179 | I104-M108 HydrophobicContact CG2-CG 4.29Å; I104-M108 HydrophobicContact CG2-SD 3.9Å; I104-M108 WeakPolarHBondContact O-CB 3.23Å; I104-M108 VanDerWaalsContact O-CG 3.26Å; I104-M108 WeakPolarHBondContact O-CG 3.19Å; I104-M108 PolarHBondContact O-N 2.96Å; M106-M108 VanDerWaalsContact C-N 3.26Å; M106-M108 PolarHBondContact O-N 3.22Å; M108-P110 VanDerWaalsContact C-CD 3.5Å; M108-V111 WeakPolarHBondContact O-CB 3.27Å; M108-V111 PolarHBondContact O-N 3.33Å; M108-M112 PolarHBondContact O-N 3.42Å; M108-Q176 HydrophobicContact CE-CB 3.87Å; M108-Q176 HydrophobicContact CE-CG 3.72Å; M108-I179 HydrophobicContact CE-CD1 3.55Å; M108-I179 HydrophobicContact CG-CD1 4.04Å; M108-I179 HydrophobicContact SD-CB 4.3Å; M108-I179 HydrophobicContact SD-CD1 3.55Å; M108-I179 VanDerWaalsContact SD-CD1 3.55Å; M108-I179 HydrophobicContact SD-CG2 3.87Å |
| 109 | F | 92.6 | Very high | 92.1 | Very high | 62 Ų | 62 | 51 Ų | 51 | 27% | 0.272 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -50.4 | -45.8 | -178.7 | -174.3 | -107 | 0 | 0 | 0 | 114.6 | R105 M106 V111 M112 V113 Q281 L285 | R105-F109 PolarHBondContact O-N 2.81Å; R105-F109 VanDerWaalsContact O-N 3.12Å; M106-F109 WeakPolarHBondContact O-CB 3.31Å; M106-F109 PolarHBondContact O-N 3.39Å; M106-F109 VanDerWaalsContact O-N 3.17Å; F109-V111 VanDerWaalsContact C-N 3.3Å; F109-V111 PolarHBondContact O-N 3.44Å; F109-M112 WeakPolarHBondContact O-CB 3.31Å; F109-M112 PolarHBondContact O-N 3.02Å; F109-M112 VanDerWaalsContact O-N 3.14Å; F109-V113 HydrophobicContact CD1-CG2 4.18Å; F109-V113 HydrophobicContact CE1-CG2 3.78Å; F109-V113 HydrophobicContact CE2-CG2 4.29Å; F109-V113 HydrophobicContact CZ-CG2 3.85Å; F109-V113 WeakPolarHBondContact O-CG2 3.4Å; F109-V113 PolarHBondContact O-N 3.48Å; F109-Q281 HydrophobicContact CD2-CG 4.26Å; F109-Q281 HydrophobicContact CE2-CG 4.36Å; F109-L285 HydrophobicContact CE2-CD1 4.38Å; F109-L285 HydrophobicContact CE2-CD2 4.33Å; F109-L285 HydrophobicContact CE2-CG 4.45Å; F109-L285 HydrophobicContact CZ-CD2 4.02Å |
| 110 | P | 92 | Very high | 91.5 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.1 | -34.6 | 177 | 23.1 | -34.9 | 0 | 0 | 0 | 113.4 | C107 M108 V113 R114 | C107-P110 WeakPolarHBondContact O-CD 3.35Å; M108-P110 VanDerWaalsContact C-CD 3.5Å; P110-V113 PolarHBondContact O-N 2.69Å; P110-R114 WeakPolarHBondContact O-CG 3.48Å; P110-R114 PolarHBondContact O-N 3.2Å; P110-R114 VanDerWaalsContact O-N 3.12Å |
| 111 | V | 91.7 | Very high | 90.9 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | M108 F109 V113 R114 Q115 Y172 L175 | M108-V111 WeakPolarHBondContact O-CB 3.27Å; M108-V111 PolarHBondContact O-N 3.33Å; F109-V111 VanDerWaalsContact C-N 3.3Å; F109-V111 PolarHBondContact O-N 3.44Å; V111-V113 VanDerWaalsContact C-N 3.34Å; V111-V113 PolarHBondContact O-N 3.1Å; V111-R114 PolarHBondContact O-N 3.45Å; V111-Q115 PolarHBondContact O-N 2.81Å; V111-Y172 HydrophobicContact CG1-CD1 4.27Å; V111-L175 HydrophobicContact CG1-CD2 3.76Å; V111-L175 HydrophobicContact CG1-CG 4.45Å; V111-L175 HydrophobicContact CG2-CD2 4.17Å |
| 112 | M | 89.2 | Confident | 90.2 | Very high | 27 Ų | 27 | 56 Ų | 56 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.4 | -172.3 | 66.5 | -174.4 | 0 | 0 | 112.1 | M108 F109 Q115 R116 | M108-M112 PolarHBondContact O-N 3.42Å; F109-M112 WeakPolarHBondContact O-CB 3.31Å; F109-M112 PolarHBondContact O-N 3.02Å; F109-M112 VanDerWaalsContact O-N 3.14Å; M112-Q115 WeakPolarHBondContact O-CB 3.37Å; M112-Q115 PolarHBondContact O-N 3.1Å; M112-R116 HydrophobicContact CE-CG 4.41Å; M112-R116 WeakPolarHBondContact O-CG 3.4Å; M112-R116 PolarHBondContact O-N 3.43Å |
| 113 | V | 91 | Very high | 89.5 | Confident | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F109 P110 V111 R116 R117 L285 L294 L296 | F109-V113 HydrophobicContact CD1-CG2 4.18Å; F109-V113 HydrophobicContact CE1-CG2 3.78Å; F109-V113 HydrophobicContact CE2-CG2 4.29Å; F109-V113 HydrophobicContact CZ-CG2 3.85Å; F109-V113 WeakPolarHBondContact O-CG2 3.4Å; F109-V113 PolarHBondContact O-N 3.48Å; P110-V113 PolarHBondContact O-N 2.69Å; V111-V113 VanDerWaalsContact C-N 3.34Å; V111-V113 PolarHBondContact O-N 3.1Å; V113-R116 PolarHBondContact O-N 3.35Å; V113-R117 PolarHBondContact O-N 2.9Å; V113-L285 HydrophobicContact CG2-CD2 4.06Å; V113-L294 HydrophobicContact CG1-CB 4.37Å; V113-L294 HydrophobicContact CG1-CD1 4.01Å; V113-L294 HydrophobicContact CG1-CD2 4.47Å; V113-L294 HydrophobicContact CG2-CD1 3.9Å; V113-L296 HydrophobicContact CG1-CD2 4.18Å |
| 114 | R | 89.2 | Confident | 88.9 | Confident | 153 Ų | 153 | 52.1 Ų | 52.1 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 174.6 | -68.8 | 177.1 | -177.3 | -179.2 | 0.7 | 111.3 | P110 V111 R116 R117 H118 Y172 | P110-R114 WeakPolarHBondContact O-CG 3.48Å; P110-R114 PolarHBondContact O-N 3.2Å; P110-R114 VanDerWaalsContact O-N 3.12Å; V111-R114 PolarHBondContact O-N 3.45Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 3.48Å; R114-R117 WeakPolarHBondContact O-CB 3.45Å; R114-R117 PolarHBondContact O-N 2.85Å; R114-H118 PolarHBondContact O-CD2 3.02Å; R114-H118 VanDerWaalsContact O-CD2 3.3Å; R114-H118 PolarHBondContact O-N 3.13Å; R114-H118 VanDerWaalsContact O-N 3.11Å; R114-Y172 HydrophobicContact CB-CD1 4.16Å; R114-Y172 HydrophobicContact CB-CE1 3.63Å |
| 115 | Q | 87.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 175.7 | -176.4 | -179.6 | -4.1 | 0 | 0 | 111.9 | V111 M112 R117 H118 L119 Y172 | V111-Q115 PolarHBondContact O-N 2.81Å; M112-Q115 WeakPolarHBondContact O-CB 3.37Å; M112-Q115 PolarHBondContact O-N 3.1Å; Q115-R117 PolarHBondContact O-N 2.77Å; Q115-H118 PolarHBondContact O-N 3.03Å; Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 PolarHBondContact O-N 3.34Å; Q115-Y172 HydrophobicContact CB-CD2 4.49Å; Q115-Y172 HydrophobicContact CB-CG 4.12Å |
| 116 | R | 86.5 | Confident | 88 | Confident | 35 Ų | 35 | 51 Ų | 51 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 177.7 | -70.1 | -68.4 | -166.5 | 171.4 | 2 | 112.9 | M112 V113 R114 L119 A120 E235 S282 L285 | M112-R116 HydrophobicContact CE-CG 4.41Å; M112-R116 WeakPolarHBondContact O-CG 3.4Å; M112-R116 PolarHBondContact O-N 3.43Å; V113-R116 PolarHBondContact O-N 3.35Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 3.48Å; R116-L119 PolarHBondContact O-N 2.89Å; R116-A120 WeakPolarHBondContact O-CB 3.28Å; R116-A120 PolarHBondContact O-N 3.3Å; R116-E235 IonicContact CZ-OE2 3.24Å; R116-E235 IonicContact NH1-OE2 3.21Å; R116-E235 PolarHBondContact NH1-OE2 3.48Å; R116-S282 PolarHBondContact NH2-OG 3.21Å; R116-L285 HydrophobicContact CG-CD1 4.17Å |
| 117 | R | 87.6 | Confident | 87.5 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.6 | -51.8 | 175.1 | -179.6 | 174.9 | -66 | 162.3 | 1.2 | 111.1 | V113 R114 Q115 L119 A120 E121 L294 L296 P297 | V113-R117 PolarHBondContact O-N 2.9Å; R114-R117 WeakPolarHBondContact O-CB 3.45Å; R114-R117 PolarHBondContact O-N 2.85Å; Q115-R117 PolarHBondContact O-N 2.77Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-L119 PolarHBondContact O-N 3.28Å; R117-A120 PolarHBondContact O-N 3.44Å; R117-E121 WeakPolarHBondContact CG-OE1 3.26Å; R117-E121 PolarHBondContact O-N 2.9Å; R117-E121 VanDerWaalsContact O-N 3.08Å; R117-L294 PolarHBondContact NH2-O 3.21Å; R117-L296 HydrophobicContact CB-CD2 3.96Å; R117-P297 HydrophobicContact CG-CG 4.12Å |
| 118 | H | 85.1 | Confident | 87.1 | Confident | 58 Ų | 58 | 46.6 Ų | 46.6 | 27% | 0.269 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 178.6 | -80.8 | -94.6 | 0 | 0 | 0 | 112.6 | R114 Q115 E121 Y122 Y172 | R114-H118 PolarHBondContact O-CD2 3.02Å; R114-H118 VanDerWaalsContact O-CD2 3.3Å; R114-H118 PolarHBondContact O-N 3.13Å; R114-H118 VanDerWaalsContact O-N 3.11Å; Q115-H118 PolarHBondContact O-N 3.03Å; H118-E121 PolarHBondContact O-N 3.46Å; H118-Y122 WeakPolarHBondContact O-CB 3.38Å; H118-Y122 PolarHBondContact O-N 2.91Å; H118-Y172 HydrophobicContact CB-CD2 4.48Å; H118-Y172 HydrophobicContact CB-CE2 4.16Å; H118-Y172 AromaticContact CD2-CE2 3.17Å; H118-Y172 WeakPolarHBondContact CD2-CE2 3.33Å; H118-Y172 AromaticContact CD2-CZ 3.58Å; H118-Y172 PolarHBondContact CD2-OH 2.96Å; H118-Y172 AromaticContact CG-CE2 3.57Å; H118-Y172 AromaticContact NE2-CE2 3.47Å; H118-Y172 WeakPolarHBondContact NE2-CE2 3.47Å; H118-Y172 AromaticContact NE2-CZ 3.58Å; H118-Y172 PolarHBondContact NE2-OH 3.24Å |
| 119 | L | 85 | Confident | 86.9 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 177.1 | -174.9 | 52.2 | 0 | 0 | 0 | 111.6 | Q115 R116 R117 Y122 T123 E235 | Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 PolarHBondContact O-N 3.34Å; R116-L119 PolarHBondContact O-N 2.89Å; R117-L119 VanDerWaalsContact C-N 3.33Å; R117-L119 PolarHBondContact O-N 3.28Å; L119-Y122 HydrophobicContact CD1-CD1 4.46Å; L119-Y122 PolarHBondContact O-N 3.26Å; L119-T123 WeakPolarHBondContact O-CB 3.36Å; L119-T123 PolarHBondContact O-N 3.32Å; L119-T123 PolarHBondContact O-OG1 3.41Å; L119-E235 HydrophobicContact CD2-CB 4.26Å; L119-E235 VanDerWaalsContact CD2-CD 3.5Å; L119-E235 HydrophobicContact CD2-CG 4.28Å; L119-E235 WeakPolarHBondContact CD2-OE2 3.18Å; L119-E235 HydrophobicContact CG-CB 4.16Å; L119-E235 HydrophobicContact CG-CG 3.98Å |
| 120 | A | 84.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R116 R117 N124 P297 V299 | R116-A120 WeakPolarHBondContact O-CB 3.28Å; R116-A120 PolarHBondContact O-N 3.3Å; R117-A120 PolarHBondContact O-N 3.44Å; A120-N124 VanDerWaalsContact O-CG 3.26Å; A120-N124 PolarHBondContact O-N 3.5Å; A120-N124 PolarHBondContact O-ND2 3.02Å; A120-P297 HydrophobicContact CB-CG 3.88Å; A120-V299 HydrophobicContact CB-CG2 3.89Å |
| 121 | E | 83.8 | Confident | 86.3 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 171.2 | -71.9 | 164.3 | -165.2 | 0 | 0 | 111.1 | R117 H118 T123 N124 I125 P297 | R117-E121 WeakPolarHBondContact CG-OE1 3.26Å; R117-E121 PolarHBondContact O-N 2.9Å; R117-E121 VanDerWaalsContact O-N 3.08Å; H118-E121 PolarHBondContact O-N 3.46Å; E121-T123 PolarHBondContact O-N 3.45Å; E121-N124 WeakPolarHBondContact O-CB 3.29Å; E121-N124 PolarHBondContact O-N 2.77Å; E121-N124 VanDerWaalsContact O-N 3.11Å; E121-I125 WeakPolarHBondContact O-CD1 3.3Å; E121-I125 PolarHBondContact O-N 3.09Å; E121-P297 HydrophobicContact CG-CG 3.97Å |
| 122 | Y | 84.1 | Confident | 86.3 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 26% | 0.263 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.8 | -47.2 | 177.1 | 180 | -94.9 | 0 | 0 | 0 | 112.3 | H118 L119 N124 I125 I126 L164 T169 | H118-Y122 WeakPolarHBondContact O-CB 3.38Å; H118-Y122 PolarHBondContact O-N 2.91Å; L119-Y122 HydrophobicContact CD1-CD1 4.46Å; L119-Y122 PolarHBondContact O-N 3.26Å; Y122-N124 PolarHBondContact O-N 3.35Å; Y122-I125 PolarHBondContact O-N 3.31Å; Y122-I125 VanDerWaalsContact O-N 3.14Å; Y122-I126 HydrophobicContact CE1-CB 4.3Å; Y122-I126 HydrophobicContact CE1-CD1 4.08Å; Y122-I126 HydrophobicContact CE1-CG1 4.12Å; Y122-I126 HydrophobicContact CE2-CD1 4.17Å; Y122-I126 WeakPolarHBondContact O-CB 3.36Å; Y122-I126 PolarHBondContact O-N 3.42Å; Y122-I126 VanDerWaalsContact OH-CD1 3.27Å; Y122-I126 WeakPolarHBondContact OH-CD1 3.47Å; Y122-L164 HydrophobicContact CD2-CD1 4.09Å; Y122-L164 HydrophobicContact CD2-CD2 4.33Å; Y122-T169 HydrophobicContact CD2-CG2 4.25Å; Y122-T169 HydrophobicContact CG-CG2 4.14Å |
| 123 | T | 82.4 | Confident | 86.3 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -28.9 | 177.4 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | L119 E121 P127 V299 | L119-T123 WeakPolarHBondContact O-CB 3.36Å; L119-T123 PolarHBondContact O-N 3.32Å; L119-T123 PolarHBondContact O-OG1 3.41Å; E121-T123 PolarHBondContact O-N 3.45Å; T123-P127 WeakPolarHBondContact O-CD 3.44Å; T123-V299 HydrophobicContact CG2-CG1 3.66Å |
| 124 | N | 83.8 | Confident | 86.1 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.9 | -25.8 | 178.8 | -74.3 | -26 | 0 | 0 | 0 | 113.8 | A120 E121 Y122 S298 V299 R300 | A120-N124 VanDerWaalsContact O-CG 3.26Å; A120-N124 PolarHBondContact O-N 3.5Å; A120-N124 PolarHBondContact O-ND2 3.02Å; E121-N124 WeakPolarHBondContact O-CB 3.29Å; E121-N124 PolarHBondContact O-N 2.77Å; E121-N124 VanDerWaalsContact O-N 3.11Å; Y122-N124 PolarHBondContact O-N 3.35Å; N124-S298 PolarHBondContact ND2-O 3.36Å; N124-S298 PolarHBondContact OD1-O 2.88Å; N124-V299 WeakPolarHBondContact OD1-CA 3.48Å; N124-R300 PolarHBondContact OD1-N 2.94Å |
| 125 | I | 85.2 | Confident | 86.2 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -103.9 | -29.9 | -173.4 | -61.9 | 149.6 | 0 | 0 | 0 | 111.5 | E121 Y122 P127 Q128 V129 L158 N162 L164 | E121-I125 WeakPolarHBondContact O-CD1 3.3Å; E121-I125 PolarHBondContact O-N 3.09Å; Y122-I125 PolarHBondContact O-N 3.31Å; Y122-I125 VanDerWaalsContact O-N 3.14Å; I125-P127 VanDerWaalsContact C-N 3.25Å; I125-P127 VanDerWaalsContact O-N 3.09Å; I125-Q128 WeakPolarHBondContact O-CB 3.39Å; I125-Q128 PolarHBondContact O-N 3.49Å; I125-V129 HydrophobicContact CG2-CG2 4.2Å; I125-V129 PolarHBondContact O-N 3.11Å; I125-L158 HydrophobicContact CG2-CD2 4.38Å; I125-L158 HydrophobicContact CG2-CG 4.26Å; I125-N162 HydrophobicContact CD1-CB 3.31Å; I125-N162 VanDerWaalsContact CD1-CG 3.46Å; I125-N162 WeakPolarHBondContact CD1-OD1 3.35Å; I125-N162 HydrophobicContact CG1-CB 4.16Å; I125-N162 HydrophobicContact CG2-CB 4.47Å; I125-L164 HydrophobicContact CB-CD1 3.6Å; I125-L164 HydrophobicContact CD1-CD1 3.52Å; I125-L164 HydrophobicContact CD1-CD2 4.05Å; I125-L164 HydrophobicContact CD1-CG 3.79Å; I125-L164 HydrophobicContact CG1-CD1 4.2Å; I125-L164 HydrophobicContact CG2-CD1 3.54Å |
| 126 | I | 85 | Confident | 86.3 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -48.4 | -35.8 | 178.7 | -157.3 | 59.2 | 0 | 0 | 0 | 114.6 | Y122 Q128 V129 T130 | Y122-I126 HydrophobicContact CE1-CB 4.3Å; Y122-I126 HydrophobicContact CE1-CD1 4.08Å; Y122-I126 HydrophobicContact CE1-CG1 4.12Å; Y122-I126 HydrophobicContact CE2-CD1 4.17Å; Y122-I126 WeakPolarHBondContact O-CB 3.36Å; Y122-I126 PolarHBondContact O-N 3.42Å; Y122-I126 VanDerWaalsContact OH-CD1 3.27Å; Y122-I126 WeakPolarHBondContact OH-CD1 3.47Å; I126-Q128 PolarHBondContact O-N 2.93Å; I126-V129 HydrophobicContact CD1-CB 4.16Å; I126-V129 HydrophobicContact CD1-CG1 4.06Å; I126-V129 CarbonylContact O-C 3.55Å; I126-V129 WeakPolarHBondContact O-CB 3.32Å; I126-V129 PolarHBondContact O-N 3.29Å; I126-T130 WeakPolarHBondContact O-CG2 3.38Å; I126-T130 PolarHBondContact O-N 3.31Å; I126-T130 PolarHBondContact O-OG1 2.91Å |
| 127 | P | 83.2 | Confident | 86.4 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.7 | -43.6 | 170.1 | 11.1 | -28.4 | 0 | 0 | 0 | 116.7 | T123 I125 V129 T130 V131 Q240 | T123-P127 WeakPolarHBondContact O-CD 3.44Å; I125-P127 VanDerWaalsContact C-N 3.25Å; I125-P127 VanDerWaalsContact O-N 3.09Å; P127-V129 VanDerWaalsContact C-N 3.25Å; P127-V129 PolarHBondContact O-N 3.44Å; P127-T130 VanDerWaalsContact CA-OG1 3.3Å; P127-T130 WeakPolarHBondContact CA-OG1 3.45Å; P127-T130 PolarHBondContact O-N 3.18Å; P127-T130 PolarHBondContact O-OG1 2.93Å; P127-V131 WeakPolarHBondContact O-CG2 3.25Å; P127-V131 PolarHBondContact O-N 3.02Å; P127-Q240 HydrophobicContact CB-CG 4.39Å; P127-Q240 VanDerWaalsContact CB-NE2 3.32Å |
| 128 | Q | 87 | Confident | 86.5 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.2 | -37.1 | -178.9 | -64.4 | 178 | 45.9 | 0 | 0 | 109.4 | I125 I126 V131 L132 L158 | I125-Q128 WeakPolarHBondContact O-CB 3.39Å; I125-Q128 PolarHBondContact O-N 3.49Å; I126-Q128 PolarHBondContact O-N 2.93Å; Q128-V131 PolarHBondContact O-N 3.4Å; Q128-L132 WeakPolarHBondContact O-CG 3.28Å; Q128-L132 PolarHBondContact O-N 3.44Å; Q128-L158 HydrophobicContact CB-CD2 3.56Å |
| 129 | V | 87.5 | Confident | 86.7 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 170.3 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | I125 I126 P127 V131 L132 Q133 M155 L158 M159 | I125-V129 HydrophobicContact CG2-CG2 4.2Å; I125-V129 PolarHBondContact O-N 3.11Å; I126-V129 HydrophobicContact CD1-CB 4.16Å; I126-V129 HydrophobicContact CD1-CG1 4.06Å; I126-V129 CarbonylContact O-C 3.55Å; I126-V129 WeakPolarHBondContact O-CB 3.32Å; I126-V129 PolarHBondContact O-N 3.29Å; P127-V129 VanDerWaalsContact C-N 3.25Å; P127-V129 PolarHBondContact O-N 3.44Å; V129-V131 PolarHBondContact O-N 2.96Å; V129-L132 PolarHBondContact O-N 3.26Å; V129-Q133 VanDerWaalsContact O-CB 3.3Å; V129-Q133 WeakPolarHBondContact O-CB 3.38Å; V129-Q133 PolarHBondContact O-N 2.98Å; V129-M155 HydrophobicContact CB-SD 3.93Å; V129-M155 HydrophobicContact CG1-CE 4Å; V129-M155 HydrophobicContact CG1-SD 3.63Å; V129-M155 HydrophobicContact CG2-SD 4.01Å; V129-M155 WeakPolarHBondContact O-CE 3.1Å; V129-L158 HydrophobicContact CG2-CD2 3.86Å; V129-M159 HydrophobicContact CG2-CG 4.48Å; V129-M159 HydrophobicContact CG2-SD 3.62Å |
| 130 | T | 85 | Confident | 86.8 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 179.1 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | I126 P127 Q133 E134 | I126-T130 WeakPolarHBondContact O-CG2 3.38Å; I126-T130 PolarHBondContact O-N 3.31Å; I126-T130 PolarHBondContact O-OG1 2.91Å; P127-T130 VanDerWaalsContact CA-OG1 3.3Å; P127-T130 WeakPolarHBondContact CA-OG1 3.45Å; P127-T130 PolarHBondContact O-N 3.18Å; P127-T130 PolarHBondContact O-OG1 2.93Å; T130-Q133 PolarHBondContact O-N 3.42Å; T130-E134 PolarHBondContact O-N 2.8Å |
| 131 | V | 88.1 | Confident | 87 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 53% | 0.527 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | P127 Q128 V129 Q133 E134 S135 | P127-V131 WeakPolarHBondContact O-CG2 3.25Å; P127-V131 PolarHBondContact O-N 3.02Å; Q128-V131 PolarHBondContact O-N 3.4Å; V129-V131 PolarHBondContact O-N 2.96Å; V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 2.96Å; V131-E134 PolarHBondContact O-N 3.25Å; V131-S135 WeakPolarHBondContact O-CB 3.43Å; V131-S135 PolarHBondContact O-N 2.84Å; V131-S135 PolarHBondContact O-OG 3.05Å |
| 132 | L | 91.1 | Very high | 87.2 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -33.3 | 174.8 | -72.3 | 174.1 | 0 | 0 | 0 | 111.5 | Q128 V129 S135 L136 T151 K154 M155 L158 | Q128-L132 WeakPolarHBondContact O-CG 3.28Å; Q128-L132 PolarHBondContact O-N 3.44Å; V129-L132 PolarHBondContact O-N 3.26Å; L132-S135 PolarHBondContact O-N 3.42Å; L132-L136 VanDerWaalsContact O-CB 3.3Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 PolarHBondContact O-N 2.99Å; L132-T151 HydrophobicContact CB-CG2 4.49Å; L132-T151 HydrophobicContact CD2-CG2 4.18Å; L132-T151 VanDerWaalsContact O-CG2 3.29Å; L132-T151 WeakPolarHBondContact O-CG2 3.5Å; L132-K154 HydrophobicContact CD1-CB 4.44Å; L132-K154 HydrophobicContact CD2-CB 4.15Å; L132-K154 HydrophobicContact CD2-CD 4.49Å; L132-M155 HydrophobicContact CB-CE 3.38Å; L132-M155 HydrophobicContact CB-SD 3.77Å; L132-M155 HydrophobicContact CD1-CB 4.34Å; L132-M155 HydrophobicContact CD1-SD 3.99Å; L132-L158 HydrophobicContact CD1-CB 4.36Å; L132-L158 HydrophobicContact CD1-CD2 3.74Å |
| 133 | Q | 88.2 | Confident | 87.2 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 178 | -175.6 | 173.9 | -1.3 | 0 | 0 | 111.3 | V129 T130 V131 L136 T137 M155 | V129-Q133 VanDerWaalsContact O-CB 3.3Å; V129-Q133 WeakPolarHBondContact O-CB 3.38Å; V129-Q133 PolarHBondContact O-N 2.98Å; T130-Q133 PolarHBondContact O-N 3.42Å; V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 2.96Å; Q133-L136 PolarHBondContact O-N 3.04Å; Q133-T137 PolarHBondContact O-N 2.95Å; Q133-T137 PolarHBondContact O-OG1 2.78Å; Q133-T137 VanDerWaalsContact O-OG1 3.1Å; Q133-M155 HydrophobicContact CB-CE 3.93Å; Q133-M155 VanDerWaalsContact N-CE 3.34Å |
| 134 | E | 88.1 | Confident | 87.5 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 171.6 | -73.4 | -178.4 | -162.6 | 0 | 0 | 111.9 | T130 V131 L136 T137 R138 | T130-E134 PolarHBondContact O-N 2.8Å; V131-E134 PolarHBondContact O-N 3.25Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.31Å; E134-T137 PolarHBondContact O-N 2.93Å; E134-R138 WeakPolarHBondContact O-CG 3.32Å; E134-R138 PolarHBondContact O-N 3.17Å; E134-R138 IonicContact OE2-NH2 2.99Å; E134-R138 PolarHBondContact OE2-NH2 3.15Å |
| 135 | S | 90.5 | Very high | 87.7 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | V131 L132 T137 R138 A139 | V131-S135 WeakPolarHBondContact O-CB 3.43Å; V131-S135 PolarHBondContact O-N 2.84Å; V131-S135 PolarHBondContact O-OG 3.05Å; L132-S135 PolarHBondContact O-N 3.42Å; S135-T137 PolarHBondContact O-N 2.86Å; S135-R138 PolarHBondContact O-N 3.42Å; S135-A139 WeakPolarHBondContact O-CB 3.37Å; S135-A139 PolarHBondContact O-N 3.21Å |
| 136 | L | 91.1 | Very high | 88.1 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 18% | 0.183 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.4 | -174 | 69.4 | 0 | 0 | 0 | 111.2 | L132 Q133 E134 A139 R140 M148 T151 | L132-L136 VanDerWaalsContact O-CB 3.3Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 PolarHBondContact O-N 2.99Å; Q133-L136 PolarHBondContact O-N 3.04Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.31Å; L136-A139 PolarHBondContact O-N 3.28Å; L136-R140 VanDerWaalsContact O-CB 3.31Å; L136-R140 WeakPolarHBondContact O-CB 3.48Å; L136-R140 PolarHBondContact O-N 3.41Å; L136-M148 HydrophobicContact CD1-CB 4.47Å; L136-M148 HydrophobicContact CD1-CG 3.68Å; L136-M148 VanDerWaalsContact CD1-O 3.32Å; L136-M148 WeakPolarHBondContact CD1-O 3.39Å; L136-T151 HydrophobicContact CB-CG2 3.97Å; L136-T151 HydrophobicContact CD1-CG2 4.45Å |
| 137 | T | 87.5 | Confident | 88.5 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 32% | 0.319 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | Q133 E134 S135 R140 L141 | Q133-T137 PolarHBondContact O-N 2.95Å; Q133-T137 PolarHBondContact O-OG1 2.78Å; Q133-T137 VanDerWaalsContact O-OG1 3.1Å; E134-T137 PolarHBondContact O-N 2.93Å; S135-T137 PolarHBondContact O-N 2.86Å; T137-R140 WeakPolarHBondContact O-CB 3.48Å; T137-R140 PolarHBondContact O-N 3.44Å; T137-L141 HydrophobicContact CG2-CD1 4.03Å; T137-L141 HydrophobicContact CG2-CG 4.4Å; T137-L141 VanDerWaalsContact O-CG 3.31Å; T137-L141 WeakPolarHBondContact O-CG 3.31Å; T137-L141 PolarHBondContact O-N 3.2Å |
| 138 | R | 89.4 | Confident | 89 | Confident | 148 Ų | 148 | 69.8 Ų | 69.8 | 56% | 0.558 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -47.9 | 176.4 | -70.3 | 177.6 | -159.8 | 151.1 | 10.5 | 111.9 | E134 S135 R140 L141 S142 | E134-R138 WeakPolarHBondContact O-CG 3.32Å; E134-R138 PolarHBondContact O-N 3.17Å; E134-R138 IonicContact OE2-NH2 2.99Å; E134-R138 PolarHBondContact OE2-NH2 3.15Å; S135-R138 PolarHBondContact O-N 3.42Å; R138-R140 VanDerWaalsContact C-N 3.25Å; R138-R140 PolarHBondContact O-N 3.26Å; R138-L141 PolarHBondContact O-N 2.85Å; R138-S142 WeakPolarHBondContact O-CB 3.42Å; R138-S142 PolarHBondContact O-N 3.07Å; R138-S142 PolarHBondContact O-OG 3.12Å |
| 139 | A | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S135 L136 S142 G143 N144 E147 M148 | S135-A139 WeakPolarHBondContact O-CB 3.37Å; S135-A139 PolarHBondContact O-N 3.21Å; L136-A139 PolarHBondContact O-N 3.28Å; A139-S142 WeakPolarHBondContact CA-OG 3.48Å; A139-S142 PolarHBondContact O-N 2.91Å; A139-S142 PolarHBondContact O-OG 3.1Å; A139-G143 PolarHBondContact O-N 3.33Å; A139-N144 PolarHBondContact O-N 2.88Å; A139-N144 VanDerWaalsContact O-N 3.09Å; A139-E147 HydrophobicContact CB-CB 3.98Å; A139-E147 HydrophobicContact CB-CG 3.82Å; A139-M148 HydrophobicContact CB-CB 4.12Å |
| 140 | R | 87.1 | Confident | 89.7 | Confident | 129 Ų | 129 | 77 Ų | 77 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.8 | -160.9 | 173.4 | -143.3 | 151 | 12.8 | 113 | L136 T137 R138 S142 G143 M148 L326 L329 | L136-R140 VanDerWaalsContact O-CB 3.31Å; L136-R140 WeakPolarHBondContact O-CB 3.48Å; L136-R140 PolarHBondContact O-N 3.41Å; T137-R140 WeakPolarHBondContact O-CB 3.48Å; T137-R140 PolarHBondContact O-N 3.44Å; R138-R140 VanDerWaalsContact C-N 3.25Å; R138-R140 PolarHBondContact O-N 3.26Å; R140-S142 VanDerWaalsContact C-N 3.26Å; R140-S142 PolarHBondContact O-N 2.8Å; R140-G143 PolarHBondContact O-N 2.96Å; R140-M148 HydrophobicContact CG-SD 4.42Å; R140-L326 HydrophobicContact CB-CD2 4.15Å; R140-L326 HydrophobicContact CG-CD2 3.42Å; R140-L326 VanDerWaalsContact CG-CD2 3.42Å; R140-L329 VanDerWaalsContact O-CD1 3.3Å; R140-L329 WeakPolarHBondContact O-CD1 3.36Å |
| 141 | L | 87.1 | Confident | 90.2 | Very high | 58 Ų | 58 | 76.3 Ų | 76.3 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65 | -30.4 | 177.4 | -70.3 | 173.3 | 0 | 0 | 0 | 112.5 | T137 R138 G143 L325 L326 | T137-L141 HydrophobicContact CG2-CD1 4.03Å; T137-L141 HydrophobicContact CG2-CG 4.4Å; T137-L141 VanDerWaalsContact O-CG 3.31Å; T137-L141 WeakPolarHBondContact O-CG 3.31Å; T137-L141 PolarHBondContact O-N 3.2Å; R138-L141 PolarHBondContact O-N 2.85Å; L141-G143 VanDerWaalsContact C-N 3.32Å; L141-L325 HydrophobicContact CD2-CB 3.88Å; L141-L325 HydrophobicContact CD2-CD1 4.19Å; L141-L326 HydrophobicContact CD2-CD2 4.16Å; L141-L326 HydrophobicContact CD2-CG 4.28Å |
| 142 | S | 87.9 | Confident | 90.4 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 54% | 0.538 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.7 | 176.4 | 70.1 | 0 | 0 | 0 | 0 | 114.6 | R138 A139 R140 N144 | R138-S142 WeakPolarHBondContact O-CB 3.42Å; R138-S142 PolarHBondContact O-N 3.07Å; R138-S142 PolarHBondContact O-OG 3.12Å; A139-S142 WeakPolarHBondContact CA-OG 3.48Å; A139-S142 PolarHBondContact O-N 2.91Å; A139-S142 PolarHBondContact O-OG 3.1Å; R140-S142 VanDerWaalsContact C-N 3.26Å; R140-S142 PolarHBondContact O-N 2.8Å; S142-N144 PolarHBondContact O-N 3.46Å; S142-N144 WeakPolarHBondContact OG-CB 3.34Å; S142-N144 PolarHBondContact OG-N 2.94Å |
| 143 | G | 84.6 | Confident | 90.6 | Very high | 54 Ų | 54 | 78.9 Ų | 78.9 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 9.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A139 R140 L141 Y145 | A139-G143 PolarHBondContact O-N 3.33Å; R140-G143 PolarHBondContact O-N 2.96Å; L141-G143 VanDerWaalsContact C-N 3.32Å; G143-Y145 PolarHBondContact O-N 3.34Å |
| 144 | N | 89.8 | Confident | 90.9 | Very high | 65 Ų | 65 | 79 Ų | 79 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | trans | -79 | 87.5 | -179.7 | -171 | -11.5 | 0 | 0 | 0 | 111.2 | A139 S142 V146 E147 M148 | A139-N144 PolarHBondContact O-N 2.88Å; A139-N144 VanDerWaalsContact O-N 3.09Å; S142-N144 PolarHBondContact O-N 3.46Å; S142-N144 WeakPolarHBondContact OG-CB 3.34Å; S142-N144 PolarHBondContact OG-N 2.94Å; N144-V146 VanDerWaalsContact C-N 3.32Å; N144-V146 PolarHBondContact O-N 3.09Å; N144-V146 PolarHBondContact OD1-N 3.43Å; N144-E147 HydrophobicContact CB-CB 4.12Å; N144-E147 VanDerWaalsContact CG-CB 3.48Å; N144-E147 WeakPolarHBondContact ND2-CB 3.41Å; N144-E147 PolarHBondContact ND2-OE2 3.22Å; N144-E147 VanDerWaalsContact ND2-OE2 3.08Å; N144-E147 PolarHBondContact O-N 3.1Å; N144-E147 PolarHBondContact OD1-N 3.18Å; N144-M148 WeakPolarHBondContact O-CB 3.48Å; N144-M148 PolarHBondContact O-N 2.85Å | ||
| 145 | Y | 88.5 | Confident | 91.1 | Very high | 138 Ų | 138 | 75.5 Ų | 75.5 | 54% | 0.541 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | -178.4 | -173 | -94.8 | 0 | 0 | 0 | 113.2 | G143 M148 M149 | G143-Y145 PolarHBondContact O-N 3.34Å; Y145-M148 HydrophobicContact CD2-CE 3.48Å; Y145-M148 VanDerWaalsContact CD2-CE 3.48Å; Y145-M148 HydrophobicContact CE2-CE 3.56Å; Y145-M148 HydrophobicContact CG-CE 4.34Å; Y145-M148 PolarHBondContact O-N 3.07Å; Y145-M149 HydrophobicContact CD1-CG 4.01Å; Y145-M149 HydrophobicContact CE1-CG 3.56Å; Y145-M149 HydrophobicContact CE1-SD 4.42Å; Y145-M149 HydrophobicContact CE2-CG 4.39Å; Y145-M149 WeakPolarHBondContact O-CG 3.33Å; Y145-M149 PolarHBondContact O-N 3.45Å |
| 146 | V | 93.1 | Very high | 91.2 | Very high | 111 Ų | 111 | 76.5 Ų | 76.5 | 67% | 0.673 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.4 | -44.3 | -178.5 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | N144 M149 R150 | N144-V146 VanDerWaalsContact C-N 3.32Å; N144-V146 PolarHBondContact O-N 3.09Å; N144-V146 PolarHBondContact OD1-N 3.43Å; V146-M149 PolarHBondContact O-N 3.29Å; V146-R150 WeakPolarHBondContact O-CB 3.43Å; V146-R150 PolarHBondContact O-N 3.24Å |
| 147 | E | 93.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 79 Ų | 79 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 176.8 | -173.4 | -179.5 | 179.4 | 0 | 0 | 112 | A139 N144 R150 T151 | A139-E147 HydrophobicContact CB-CB 3.98Å; A139-E147 HydrophobicContact CB-CG 3.82Å; N144-E147 HydrophobicContact CB-CB 4.12Å; N144-E147 VanDerWaalsContact CG-CB 3.48Å; N144-E147 WeakPolarHBondContact ND2-CB 3.41Å; N144-E147 PolarHBondContact ND2-OE2 3.22Å; N144-E147 VanDerWaalsContact ND2-OE2 3.08Å; N144-E147 PolarHBondContact O-N 3.1Å; N144-E147 PolarHBondContact OD1-N 3.18Å; E147-R150 PolarHBondContact O-N 3.26Å; E147-T151 VanDerWaalsContact O-CB 3.26Å; E147-T151 WeakPolarHBondContact O-CB 3.47Å; E147-T151 PolarHBondContact O-N 2.82Å; E147-T151 PolarHBondContact O-OG1 2.89Å |
| 148 | M | 92.1 | Very high | 91.5 | Very high | 37 Ų | 37 | 77.7 Ų | 77.7 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 175.1 | -178.1 | -171.4 | 68.4 | 0 | 0 | 110.8 | L136 A139 R140 N144 Y145 T151 S152 | L136-M148 HydrophobicContact CD1-CB 4.47Å; L136-M148 HydrophobicContact CD1-CG 3.68Å; L136-M148 VanDerWaalsContact CD1-O 3.32Å; L136-M148 WeakPolarHBondContact CD1-O 3.39Å; A139-M148 HydrophobicContact CB-CB 4.12Å; R140-M148 HydrophobicContact CG-SD 4.42Å; N144-M148 WeakPolarHBondContact O-CB 3.48Å; N144-M148 PolarHBondContact O-N 2.85Å; Y145-M148 HydrophobicContact CD2-CE 3.48Å; Y145-M148 VanDerWaalsContact CD2-CE 3.48Å; Y145-M148 HydrophobicContact CE2-CE 3.56Å; Y145-M148 HydrophobicContact CG-CE 4.34Å; Y145-M148 PolarHBondContact O-N 3.07Å; M148-T151 PolarHBondContact O-N 3.44Å; M148-S152 VanDerWaalsContact O-CB 3.29Å; M148-S152 WeakPolarHBondContact O-CB 3.4Å; M148-S152 PolarHBondContact O-N 3.33Å |
| 149 | M | 93.9 | Very high | 91.5 | Very high | 94 Ų | 94 | 72.2 Ų | 72.2 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 179 | -71.9 | -63.3 | -83 | 0 | 0 | 111.7 | Y145 V146 T151 S152 E153 | Y145-M149 HydrophobicContact CD1-CG 4.01Å; Y145-M149 HydrophobicContact CE1-CG 3.56Å; Y145-M149 HydrophobicContact CE1-SD 4.42Å; Y145-M149 HydrophobicContact CE2-CG 4.39Å; Y145-M149 WeakPolarHBondContact O-CG 3.33Å; Y145-M149 PolarHBondContact O-N 3.45Å; V146-M149 PolarHBondContact O-N 3.29Å; M149-T151 VanDerWaalsContact C-N 3.31Å; M149-T151 PolarHBondContact O-N 3.03Å; M149-S152 PolarHBondContact O-N 3.45Å; M149-E153 WeakPolarHBondContact O-CB 3.42Å; M149-E153 PolarHBondContact O-N 2.94Å |
| 150 | R | 95.3 | Very high | 91.3 | Very high | 165 Ų | 165 | 79.1 Ų | 79.1 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 177.4 | -171.4 | -179.5 | -176.6 | 89.5 | -1.8 | 112.2 | V146 E147 K154 | V146-R150 WeakPolarHBondContact O-CB 3.43Å; V146-R150 PolarHBondContact O-N 3.24Å; E147-R150 PolarHBondContact O-N 3.26Å; R150-K154 VanDerWaalsContact O-CG 3.31Å; R150-K154 WeakPolarHBondContact O-CG 3.36Å; R150-K154 PolarHBondContact O-N 2.87Å |
| 151 | T | 95 | Very high | 91.5 | Very high | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -72.8 | -40.3 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L132 L136 E147 M148 M149 E153 K154 M155 | L132-T151 HydrophobicContact CB-CG2 4.49Å; L132-T151 HydrophobicContact CD2-CG2 4.18Å; L132-T151 VanDerWaalsContact O-CG2 3.29Å; L132-T151 WeakPolarHBondContact O-CG2 3.5Å; L136-T151 HydrophobicContact CB-CG2 3.97Å; L136-T151 HydrophobicContact CD1-CG2 4.45Å; E147-T151 VanDerWaalsContact O-CB 3.26Å; E147-T151 WeakPolarHBondContact O-CB 3.47Å; E147-T151 PolarHBondContact O-N 2.82Å; E147-T151 PolarHBondContact O-OG1 2.89Å; M148-T151 PolarHBondContact O-N 3.44Å; M149-T151 VanDerWaalsContact C-N 3.31Å; M149-T151 PolarHBondContact O-N 3.03Å; T151-E153 VanDerWaalsContact C-N 3.33Å; T151-E153 PolarHBondContact O-N 3.29Å; T151-K154 PolarHBondContact O-N 3.47Å; T151-M155 WeakPolarHBondContact O-CB 3.37Å; T151-M155 PolarHBondContact O-N 2.85Å |
| 152 | S | 93.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 79.3 Ų | 79.3 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 173.8 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | M148 M149 M155 S156 | M148-S152 VanDerWaalsContact O-CB 3.29Å; M148-S152 WeakPolarHBondContact O-CB 3.4Å; M148-S152 PolarHBondContact O-N 3.33Å; M149-S152 PolarHBondContact O-N 3.45Å; S152-M155 WeakPolarHBondContact O-CB 3.45Å; S152-M155 PolarHBondContact O-N 2.91Å; S152-S156 PolarHBondContact O-N 3.46Å |
| 153 | E | 95.3 | Very high | 91.2 | Very high | 115 Ų | 115 | 82 Ų | 82 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 176.5 | -179.7 | 161.9 | -168.8 | 0 | 0 | 112.1 | M149 T151 M155 S156 Q157 | M149-E153 WeakPolarHBondContact O-CB 3.42Å; M149-E153 PolarHBondContact O-N 2.94Å; T151-E153 VanDerWaalsContact C-N 3.33Å; T151-E153 PolarHBondContact O-N 3.29Å; E153-M155 PolarHBondContact O-N 2.86Å; E153-S156 WeakPolarHBondContact O-CB 3.17Å; E153-S156 PolarHBondContact O-N 3.49Å; E153-S156 VanDerWaalsContact O-N 3.1Å; E153-Q157 HydrophobicContact CG-CG 4.2Å; E153-Q157 WeakPolarHBondContact O-CB 3.24Å; E153-Q157 VanDerWaalsContact O-CG 3.31Å; E153-Q157 WeakPolarHBondContact O-CG 3.36Å; E153-Q157 PolarHBondContact O-N 3.37Å; E153-Q157 PolarHBondContact OE1-NE2 2.89Å; E153-Q157 VanDerWaalsContact OE1-NE2 3.07Å |
| 154 | K | 95.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 80.1 Ų | 80.1 | 43% | 0.426 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.4 | -40.8 | 173.3 | -76.6 | 175.3 | 178.6 | -176.8 | 0 | 112.1 | L132 R150 T151 L158 | L132-K154 HydrophobicContact CD1-CB 4.44Å; L132-K154 HydrophobicContact CD2-CB 4.15Å; L132-K154 HydrophobicContact CD2-CD 4.49Å; R150-K154 VanDerWaalsContact O-CG 3.31Å; R150-K154 WeakPolarHBondContact O-CG 3.36Å; R150-K154 PolarHBondContact O-N 2.87Å; T151-K154 PolarHBondContact O-N 3.47Å; K154-L158 VanDerWaalsContact O-CB 3.29Å; K154-L158 WeakPolarHBondContact O-CB 3.43Å; K154-L158 PolarHBondContact O-N 2.89Å |
| 155 | M | 92.3 | Very high | 90.1 | Very high | 30 Ų | 30 | 80.5 Ų | 80.5 | 15% | 0.148 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 175 | -174.8 | 73.9 | 87.6 | 0 | 0 | 111.6 | V129 L132 Q133 T151 S152 E153 Q157 L158 M159 | V129-M155 HydrophobicContact CB-SD 3.93Å; V129-M155 HydrophobicContact CG1-CE 4Å; V129-M155 HydrophobicContact CG1-SD 3.63Å; V129-M155 HydrophobicContact CG2-SD 4.01Å; V129-M155 WeakPolarHBondContact O-CE 3.1Å; L132-M155 HydrophobicContact CB-CE 3.38Å; L132-M155 HydrophobicContact CB-SD 3.77Å; L132-M155 HydrophobicContact CD1-CB 4.34Å; L132-M155 HydrophobicContact CD1-SD 3.99Å; Q133-M155 HydrophobicContact CB-CE 3.93Å; Q133-M155 VanDerWaalsContact N-CE 3.34Å; T151-M155 WeakPolarHBondContact O-CB 3.37Å; T151-M155 PolarHBondContact O-N 2.85Å; S152-M155 WeakPolarHBondContact O-CB 3.45Å; S152-M155 PolarHBondContact O-N 2.91Å; E153-M155 PolarHBondContact O-N 2.86Å; M155-Q157 VanDerWaalsContact C-N 3.34Å; M155-Q157 PolarHBondContact O-N 2.87Å; M155-L158 PolarHBondContact O-N 3.39Å; M155-M159 WeakPolarHBondContact O-CG 3.03Å; M155-M159 PolarHBondContact O-N 3.21Å |
| 156 | S | 91.8 | Very high | 89.2 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 178.9 | -170 | 0 | 0 | 0 | 0 | 111.3 | S152 E153 M159 K160 | S152-S156 PolarHBondContact O-N 3.46Å; E153-S156 WeakPolarHBondContact O-CB 3.17Å; E153-S156 PolarHBondContact O-N 3.49Å; E153-S156 VanDerWaalsContact O-N 3.1Å; S156-M159 PolarHBondContact O-N 3.45Å; S156-K160 WeakPolarHBondContact O-CB 3.2Å; S156-K160 VanDerWaalsContact O-CG 3.27Å; S156-K160 WeakPolarHBondContact O-CG 3.43Å; S156-K160 PolarHBondContact O-N 2.88Å |
| 157 | Q | 93.6 | Very high | 88.6 | Confident | 88 Ų | 88 | 77.7 Ų | 77.7 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.3 | -70.8 | 177 | 1.5 | 0 | 0 | 111.4 | E153 M155 M159 K160 N161 | E153-Q157 HydrophobicContact CG-CG 4.2Å; E153-Q157 WeakPolarHBondContact O-CB 3.24Å; E153-Q157 VanDerWaalsContact O-CG 3.31Å; E153-Q157 WeakPolarHBondContact O-CG 3.36Å; E153-Q157 PolarHBondContact O-N 3.37Å; E153-Q157 PolarHBondContact OE1-NE2 2.89Å; E153-Q157 VanDerWaalsContact OE1-NE2 3.07Å; M155-Q157 VanDerWaalsContact C-N 3.34Å; M155-Q157 PolarHBondContact O-N 2.87Å; Q157-M159 VanDerWaalsContact C-N 3.33Å; Q157-M159 PolarHBondContact O-N 2.77Å; Q157-K160 PolarHBondContact O-N 2.88Å; Q157-N161 VanDerWaalsContact O-CB 3.23Å; Q157-N161 WeakPolarHBondContact O-CB 3.24Å; Q157-N161 PolarHBondContact O-N 3.5Å; Q157-N161 PolarHBondContact O-ND2 2.9Å; Q157-N161 PolarHBondContact O-OD1 3.44Å |
| 158 | L | 91.6 | Very high | 87.8 | Confident | 23 Ų | 23 | 77.2 Ų | 77.2 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 176.5 | 179.5 | 68.9 | 0 | 0 | 0 | 111.6 | I125 Q128 V129 L132 K154 M155 N162 | I125-L158 HydrophobicContact CG2-CD2 4.38Å; I125-L158 HydrophobicContact CG2-CG 4.26Å; Q128-L158 HydrophobicContact CB-CD2 3.56Å; V129-L158 HydrophobicContact CG2-CD2 3.86Å; L132-L158 HydrophobicContact CD1-CB 4.36Å; L132-L158 HydrophobicContact CD1-CD2 3.74Å; K154-L158 VanDerWaalsContact O-CB 3.29Å; K154-L158 WeakPolarHBondContact O-CB 3.43Å; K154-L158 PolarHBondContact O-N 2.89Å; M155-L158 PolarHBondContact O-N 3.39Å; L158-N162 WeakPolarHBondContact CD1-ND2 3.47Å; L158-N162 PolarHBondContact O-N 2.87Å; L158-N162 PolarHBondContact O-ND2 2.91Å |
| 159 | M | 88.4 | Confident | 86.9 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 17% | 0.167 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 178.6 | -68.3 | -66.2 | -80.4 | 0 | 0 | 111.8 | V129 M155 S156 Q157 N163 L164 P166 | V129-M159 HydrophobicContact CG2-CG 4.48Å; V129-M159 HydrophobicContact CG2-SD 3.62Å; M155-M159 WeakPolarHBondContact O-CG 3.03Å; M155-M159 PolarHBondContact O-N 3.21Å; S156-M159 PolarHBondContact O-N 3.45Å; Q157-M159 VanDerWaalsContact C-N 3.33Å; Q157-M159 PolarHBondContact O-N 2.77Å; M159-N163 PolarHBondContact O-N 3.08Å; M159-L164 HydrophobicContact CE-CB 3.73Å; M159-L164 WeakPolarHBondContact CE-O 3.34Å; M159-L164 PolarHBondContact O-N 2.92Å; M159-L164 HydrophobicContact SD-CB 3.84Å; M159-L164 HydrophobicContact SD-CD1 4.05Å; M159-P166 HydrophobicContact CE-CG 4.26Å |
| 160 | K | 88.5 | Confident | 86.1 | Confident | 145 Ų | 145 | 76.9 Ų | 76.9 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.1 | -47.9 | 176.1 | -74.2 | 174.3 | -178.9 | 178.9 | 0 | 112.1 | S156 Q157 N162 N163 | S156-K160 WeakPolarHBondContact O-CB 3.2Å; S156-K160 VanDerWaalsContact O-CG 3.27Å; S156-K160 WeakPolarHBondContact O-CG 3.43Å; S156-K160 PolarHBondContact O-N 2.88Å; Q157-K160 PolarHBondContact O-N 2.88Å; K160-N162 PolarHBondContact O-N 3.32Å; K160-N163 PolarHBondContact O-N 2.91Å |
| 161 | N | 90.2 | Very high | 85.6 | Confident | 127 Ų | 127 | 75.4 Ų | 75.4 | 68% | 0.679 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.4 | -29.2 | -178.4 | -69.1 | -6.5 | 0 | 0 | 0 | 112.5 | Q157 | Q157-N161 VanDerWaalsContact O-CB 3.23Å; Q157-N161 WeakPolarHBondContact O-CB 3.24Å; Q157-N161 PolarHBondContact O-N 3.5Å; Q157-N161 PolarHBondContact O-ND2 2.9Å; Q157-N161 PolarHBondContact O-OD1 3.44Å |
| 162 | N | 86.7 | Confident | 85.1 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 35% | 0.348 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 10.5 | 176.5 | -66.4 | -87.2 | 0 | 0 | 0 | 113.9 | I125 L158 K160 L164 | I125-N162 HydrophobicContact CD1-CB 3.31Å; I125-N162 VanDerWaalsContact CD1-CG 3.46Å; I125-N162 WeakPolarHBondContact CD1-OD1 3.35Å; I125-N162 HydrophobicContact CG1-CB 4.16Å; I125-N162 HydrophobicContact CG2-CB 4.47Å; L158-N162 WeakPolarHBondContact CD1-ND2 3.47Å; L158-N162 PolarHBondContact O-N 2.87Å; L158-N162 PolarHBondContact O-ND2 2.91Å; K160-N162 PolarHBondContact O-N 3.32Å; N162-L164 HydrophobicContact CB-CG 4.05Å; N162-L164 PolarHBondContact O-N 3.02Å |
| 163 | N | 82.2 | Confident | 84.5 | Confident | 134 Ų | 134 | 76.8 Ų | 76.8 | 72% | 0.717 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 27.8 | -177.7 | -65.4 | -54.8 | 0 | 0 | 0 | 114.5 | M159 K160 N165 | M159-N163 PolarHBondContact O-N 3.08Å; K160-N163 PolarHBondContact O-N 2.91Å; N163-N165 PolarHBondContact O-N 3.3Å; N163-N165 VanDerWaalsContact O-N 3.09Å |
| 164 | L | 74.5 | Confident | 84.1 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 7% | 0.073 | 39% | 0.39 | C | S | . | . | trans | -84.3 | 84.6 | 177 | -64.9 | -168.7 | 0 | 0 | 0 | 109.5 | Y122 I125 M159 N162 | Y122-L164 HydrophobicContact CD2-CD1 4.09Å; Y122-L164 HydrophobicContact CD2-CD2 4.33Å; I125-L164 HydrophobicContact CB-CD1 3.6Å; I125-L164 HydrophobicContact CD1-CD1 3.52Å; I125-L164 HydrophobicContact CD1-CD2 4.05Å; I125-L164 HydrophobicContact CD1-CG 3.79Å; I125-L164 HydrophobicContact CG1-CD1 4.2Å; I125-L164 HydrophobicContact CG2-CD1 3.54Å; M159-L164 HydrophobicContact CE-CB 3.73Å; M159-L164 WeakPolarHBondContact CE-O 3.34Å; M159-L164 PolarHBondContact O-N 2.92Å; M159-L164 HydrophobicContact SD-CB 3.84Å; M159-L164 HydrophobicContact SD-CD1 4.05Å; N162-L164 HydrophobicContact CB-CG 4.05Å; N162-L164 PolarHBondContact O-N 3.02Å | ||
| 165 | N | 76.4 | Confident | 83.7 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 39% | 0.39 | 39% | 0.393 | S | S | . | . | trans | -82.7 | 124.3 | 158.2 | -175.6 | -15.9 | 0 | 0 | 0 | 107.5 | N163 L167 N168 T169 | N163-N165 PolarHBondContact O-N 3.3Å; N163-N165 VanDerWaalsContact O-N 3.09Å; N165-L167 PolarHBondContact O-N 3.3Å; N165-L167 VanDerWaalsContact O-N 3.08Å; N165-L167 WeakPolarHBondContact OD1-CB 3.38Å; N165-L167 PolarHBondContact OD1-N 3.38Å; N165-N168 HydrophobicContact CB-CB 4.02Å; N165-N168 WeakPolarHBondContact O-CA 3.49Å; N165-N168 WeakPolarHBondContact O-CB 3.25Å; N165-N168 PolarHBondContact O-N 3.21Å; N165-T169 PolarHBondContact O-N 3.44Å | ||
| 166 | P | 70.5 | Confident | 83.4 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -48 | -37.9 | 174.2 | -28.7 | 35 | 0 | 0 | 0 | 112.9 | M159 N168 T169 F170 | M159-P166 HydrophobicContact CE-CG 4.26Å; P166-N168 VanDerWaalsContact C-N 3.35Å; P166-N168 PolarHBondContact O-N 3.12Å; P166-T169 PolarHBondContact O-N 3.43Å; P166-F170 WeakPolarHBondContact O-CD2 3.35Å; P166-F170 PolarHBondContact O-N 2.95Å |
| 167 | L | 79.4 | Confident | 83.3 | Confident | 117 Ų | 117 | 78 Ų | 78 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67 | -32.9 | 176.9 | -61.5 | 178.2 | 0 | 0 | 0 | 113 | N165 T169 F170 K171 | N165-L167 PolarHBondContact O-N 3.3Å; N165-L167 VanDerWaalsContact O-N 3.08Å; N165-L167 WeakPolarHBondContact OD1-CB 3.38Å; N165-L167 PolarHBondContact OD1-N 3.38Å; L167-T169 VanDerWaalsContact C-N 3.35Å; L167-F170 CarbonylContact O-C 3.48Å; L167-F170 PolarHBondContact O-N 3.45Å; L167-K171 PolarHBondContact O-N 3.35Å |
| 168 | N | 77.5 | Confident | 83.2 | Confident | 70 Ų | 70 | 77.2 Ų | 77.2 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | 177.5 | -73.1 | -6.1 | 0 | 0 | 0 | 111.5 | N165 P166 F170 K171 | N165-N168 HydrophobicContact CB-CB 4.02Å; N165-N168 WeakPolarHBondContact O-CA 3.49Å; N165-N168 WeakPolarHBondContact O-CB 3.25Å; N165-N168 PolarHBondContact O-N 3.21Å; P166-N168 VanDerWaalsContact C-N 3.35Å; P166-N168 PolarHBondContact O-N 3.12Å; N168-F170 VanDerWaalsContact C-N 3.29Å; N168-F170 PolarHBondContact O-N 3.31Å; N168-K171 WeakPolarHBondContact O-CB 3.43Å; N168-K171 PolarHBondContact O-N 3.34Å |
| 169 | T | 72.7 | Confident | 83.2 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.5 | -53.6 | 0 | 0 | 0 | 0 | 111 | Y122 N165 P166 L167 | Y122-T169 HydrophobicContact CD2-CG2 4.25Å; Y122-T169 HydrophobicContact CG-CG2 4.14Å; N165-T169 PolarHBondContact O-N 3.44Å; P166-T169 PolarHBondContact O-N 3.43Å; L167-T169 VanDerWaalsContact C-N 3.35Å |
| 170 | F | 78.5 | Confident | 83.4 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 47% | 0.474 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -86.8 | -8.6 | 180 | -62.7 | -66.6 | 0 | 0 | 0 | 114.4 | P166 L167 N168 Y172 V173 F174 | P166-F170 WeakPolarHBondContact O-CD2 3.35Å; P166-F170 PolarHBondContact O-N 2.95Å; L167-F170 CarbonylContact O-C 3.48Å; L167-F170 PolarHBondContact O-N 3.45Å; N168-F170 VanDerWaalsContact C-N 3.29Å; N168-F170 PolarHBondContact O-N 3.31Å; F170-Y172 PolarHBondContact O-N 3.46Å; F170-V173 HydrophobicContact CD1-CG2 4.37Å; F170-V173 WeakPolarHBondContact O-CA 3.21Å; F170-V173 WeakPolarHBondContact O-CB 3.25Å; F170-V173 PolarHBondContact O-N 2.9Å; F170-F174 HydrophobicContact CB-CD2 3.92Å; F170-F174 HydrophobicContact CB-CE2 3.59Å; F170-F174 HydrophobicContact CB-CZ 4.5Å; F170-F174 WeakPolarHBondContact O-CD2 3.32Å; F170-F174 PolarHBondContact O-N 3.42Å |
| 171 | K | 84.7 | Confident | 83.7 | Confident | 133 Ų | 133 | 78.6 Ų | 78.6 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -51.4 | -43.8 | 180 | -179.6 | 178.7 | 178.5 | 176.2 | 0 | 112.5 | L167 N168 F174 L175 | L167-K171 PolarHBondContact O-N 3.35Å; N168-K171 WeakPolarHBondContact O-CB 3.43Å; N168-K171 PolarHBondContact O-N 3.34Å; K171-F174 PolarHBondContact O-N 3.28Å; K171-L175 PolarHBondContact O-N 3.33Å |
| 172 | Y | 83.6 | Confident | 83.9 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 14% | 0.137 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.3 | -30.6 | 179.7 | -59.1 | -75.3 | 0 | 0 | 0 | 112.8 | V111 R114 Q115 H118 F170 L175 Q176 | V111-Y172 HydrophobicContact CG1-CD1 4.27Å; R114-Y172 HydrophobicContact CB-CD1 4.16Å; R114-Y172 HydrophobicContact CB-CE1 3.63Å; Q115-Y172 HydrophobicContact CB-CD2 4.49Å; Q115-Y172 HydrophobicContact CB-CG 4.12Å; H118-Y172 HydrophobicContact CB-CD2 4.48Å; H118-Y172 HydrophobicContact CB-CE2 4.16Å; H118-Y172 AromaticContact CD2-CE2 3.17Å; H118-Y172 WeakPolarHBondContact CD2-CE2 3.33Å; H118-Y172 AromaticContact CD2-CZ 3.58Å; H118-Y172 PolarHBondContact CD2-OH 2.96Å; H118-Y172 AromaticContact CG-CE2 3.57Å; H118-Y172 AromaticContact NE2-CE2 3.47Å; H118-Y172 WeakPolarHBondContact NE2-CE2 3.47Å; H118-Y172 AromaticContact NE2-CZ 3.58Å; H118-Y172 PolarHBondContact NE2-OH 3.24Å; F170-Y172 PolarHBondContact O-N 3.46Å; Y172-L175 PolarHBondContact O-N 2.83Å; Y172-Q176 PolarHBondContact O-N 3.08Å |
| 173 | V | 80.7 | Confident | 84.3 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 172.1 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | F170 L175 Q176 A177 | F170-V173 HydrophobicContact CD1-CG2 4.37Å; F170-V173 WeakPolarHBondContact O-CA 3.21Å; F170-V173 WeakPolarHBondContact O-CB 3.25Å; F170-V173 PolarHBondContact O-N 2.9Å; V173-L175 VanDerWaalsContact C-N 3.28Å; V173-L175 PolarHBondContact O-N 3.23Å; V173-Q176 PolarHBondContact O-N 3.4Å; V173-Q176 VanDerWaalsContact O-N 3.12Å; V173-A177 PolarHBondContact O-N 2.93Å |
| 174 | F | 87.2 | Confident | 84.9 | Confident | 134 Ų | 134 | 65.9 Ų | 65.9 | 59% | 0.588 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.8 | -31.8 | 176.2 | -70.8 | -60.4 | 0 | 0 | 0 | 112.9 | F170 K171 Q176 A177 P178 | F170-F174 HydrophobicContact CB-CD2 3.92Å; F170-F174 HydrophobicContact CB-CE2 3.59Å; F170-F174 HydrophobicContact CB-CZ 4.5Å; F170-F174 WeakPolarHBondContact O-CD2 3.32Å; F170-F174 PolarHBondContact O-N 3.42Å; K171-F174 PolarHBondContact O-N 3.28Å; F174-Q176 PolarHBondContact O-N 3.49Å; F174-A177 PolarHBondContact O-N 3.42Å; F174-P178 WeakPolarHBondContact O-CD 3.32Å |
| 175 | L | 86.9 | Confident | 85.9 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.7 | -28.7 | 174.5 | -175.8 | 59.2 | 0 | 0 | 0 | 112.7 | V111 K171 Y172 V173 | V111-L175 HydrophobicContact CG1-CD2 3.76Å; V111-L175 HydrophobicContact CG1-CG 4.45Å; V111-L175 HydrophobicContact CG2-CD2 4.17Å; K171-L175 PolarHBondContact O-N 3.33Å; Y172-L175 PolarHBondContact O-N 2.83Å; V173-L175 VanDerWaalsContact C-N 3.28Å; V173-L175 PolarHBondContact O-N 3.23Å |
| 176 | Q | 86.1 | Confident | 86.8 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -80 | -28 | 178.5 | 178.7 | 169 | 36.2 | 0 | 0 | 113 | M108 Y172 V173 F174 I179 F180 | M108-Q176 HydrophobicContact CE-CB 3.87Å; M108-Q176 HydrophobicContact CE-CG 3.72Å; Y172-Q176 PolarHBondContact O-N 3.08Å; V173-Q176 PolarHBondContact O-N 3.4Å; V173-Q176 VanDerWaalsContact O-N 3.12Å; F174-Q176 PolarHBondContact O-N 3.49Å; Q176-I179 PolarHBondContact O-N 2.89Å; Q176-F180 PolarHBondContact O-N 3.05Å |
| 177 | A | 89.7 | Confident | 88 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V173 F174 I179 F180 L181 | V173-A177 PolarHBondContact O-N 2.93Å; F174-A177 PolarHBondContact O-N 3.42Å; A177-I179 VanDerWaalsContact C-N 3.33Å; A177-I179 PolarHBondContact O-N 3.14Å; A177-F180 WeakPolarHBondContact O-CB 3.39Å; A177-F180 PolarHBondContact O-N 3.49Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 WeakPolarHBondContact O-CG 3.38Å; A177-L181 PolarHBondContact O-N 3.23Å |
| 178 | P | 91.1 | Very high | 88.7 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 176.6 | -25.7 | 34.2 | 0 | 0 | 0 | 113.5 | F174 L181 G182 | F174-P178 WeakPolarHBondContact O-CD 3.32Å; P178-L181 PolarHBondContact O-N 3.5Å; P178-G182 PolarHBondContact O-N 3.42Å |
| 179 | I | 92.1 | Very high | 89.5 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 32% | 0.323 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 177.6 | -62.1 | 168.9 | 0 | 0 | 0 | 109.1 | I104 M108 Q176 A177 L181 G182 V183 | I104-I179 HydrophobicContact CG2-CG2 3.71Å; M108-I179 HydrophobicContact CE-CD1 3.55Å; M108-I179 HydrophobicContact CG-CD1 4.04Å; M108-I179 HydrophobicContact SD-CB 4.3Å; M108-I179 HydrophobicContact SD-CD1 3.55Å; M108-I179 VanDerWaalsContact SD-CD1 3.55Å; M108-I179 HydrophobicContact SD-CG2 3.87Å; Q176-I179 PolarHBondContact O-N 2.89Å; A177-I179 VanDerWaalsContact C-N 3.33Å; A177-I179 PolarHBondContact O-N 3.14Å; I179-L181 PolarHBondContact O-N 2.68Å; I179-G182 PolarHBondContact O-N 3.08Å; I179-V183 WeakPolarHBondContact O-CG2 3.2Å; I179-V183 PolarHBondContact O-N 2.81Å |
| 180 | F | 92.4 | Very high | 90.4 | Very high | 69 Ų | 69 | 57 Ų | 57 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 175 | 172.7 | -92.9 | 0 | 0 | 0 | 112.1 | Q176 A177 G182 V183 F184 Y270 W271 | Q176-F180 PolarHBondContact O-N 3.05Å; A177-F180 WeakPolarHBondContact O-CB 3.39Å; A177-F180 PolarHBondContact O-N 3.49Å; F180-G182 PolarHBondContact O-N 2.91Å; F180-V183 PolarHBondContact O-N 2.88Å; F180-F184 HydrophobicContact CE1-CB 4.31Å; F180-F184 HydrophobicContact CZ-CB 4.36Å; F180-F184 HydrophobicContact CZ-CD2 4.33Å; F180-F184 VanDerWaalsContact O-CB 3.23Å; F180-F184 WeakPolarHBondContact O-CB 3.16Å; F180-F184 PolarHBondContact O-N 3.19Å; F180-Y270 HydrophobicContact CD2-CE1 4.23Å; F180-Y270 HydrophobicContact CE2-CE1 4.02Å; F180-W271 AromaticContact CE2-CE2 3.9Å; F180-W271 AromaticContact CE2-CZ2 3.89Å; F180-W271 HydrophobicContact CE2-CZ2 3.89Å; F180-W271 AromaticContact CE2-NE1 3.72Å; F180-W271 HydrophobicContact CZ-CH2 4.39Å; F180-W271 AromaticContact CZ-CZ2 3.55Å; F180-W271 HydrophobicContact CZ-CZ2 3.55Å |
| 181 | L | 93.6 | Very high | 91.1 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.4 | -80.7 | 162.9 | 0 | 0 | 0 | 112 | A177 P178 I179 F184 T185 | A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 WeakPolarHBondContact O-CG 3.38Å; A177-L181 PolarHBondContact O-N 3.23Å; P178-L181 PolarHBondContact O-N 3.5Å; I179-L181 PolarHBondContact O-N 2.68Å; L181-F184 PolarHBondContact O-N 2.85Å; L181-T185 WeakPolarHBondContact O-CB 3.33Å; L181-T185 WeakPolarHBondContact O-CG2 3.43Å; L181-T185 PolarHBondContact O-N 3.39Å; L181-T185 PolarHBondContact O-OG1 3.37Å |
| 182 | G | 95 | Very high | 91.4 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -49.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | S75 P178 I179 F180 T185 G186 | S75-G182 WeakPolarHBondContact CA-O 3.25Å; P178-G182 PolarHBondContact O-N 3.42Å; I179-G182 PolarHBondContact O-N 3.08Å; F180-G182 PolarHBondContact O-N 2.91Å; G182-T185 PolarHBondContact O-OG1 3.42Å; G182-G186 WeakPolarHBondContact O-CA 3.4Å; G182-G186 PolarHBondContact O-N 3.15Å |
| 183 | V | 96 | Very high | 91.5 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | Y78 I104 I179 F180 G186 I187 Y270 | Y78-V183 HydrophobicContact CD1-CG1 4.36Å; Y78-V183 HydrophobicContact CD2-CB 4.33Å; Y78-V183 HydrophobicContact CD2-CG1 4.34Å; Y78-V183 HydrophobicContact CD2-CG2 3.68Å; Y78-V183 HydrophobicContact CE1-CG1 3.86Å; Y78-V183 HydrophobicContact CE2-CB 4.28Å; Y78-V183 HydrophobicContact CE2-CG1 3.81Å; Y78-V183 HydrophobicContact CE2-CG2 3.78Å; Y78-V183 HydrophobicContact CG-CB 4.44Å; Y78-V183 HydrophobicContact CG-CG2 4.14Å; I104-V183 HydrophobicContact CD1-CG2 3.85Å; I179-V183 WeakPolarHBondContact O-CG2 3.2Å; I179-V183 PolarHBondContact O-N 2.81Å; F180-V183 PolarHBondContact O-N 2.88Å; V183-G186 PolarHBondContact O-N 3.24Å; V183-I187 HydrophobicContact CG1-CD1 3.91Å; V183-I187 HydrophobicContact CG1-CG1 4.37Å; V183-I187 WeakPolarHBondContact O-CG1 3.42Å; V183-I187 PolarHBondContact O-N 3.17Å; V183-Y270 HydrophobicContact CB-CE2 4.29Å; V183-Y270 HydrophobicContact CG1-CD1 4.29Å; V183-Y270 HydrophobicContact CG1-CD2 3.64Å; V183-Y270 HydrophobicContact CG1-CE1 4.01Å; V183-Y270 HydrophobicContact CG1-CE2 3.37Å; V183-Y270 HydrophobicContact CG1-CG 4.11Å |
| 184 | F | 95.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 23% | 0.228 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -51.8 | -178 | 177.6 | -93.2 | 0 | 0 | 0 | 111.9 | F180 L181 G186 I187 R188 M263 L267 W271 | F180-F184 HydrophobicContact CE1-CB 4.31Å; F180-F184 HydrophobicContact CZ-CB 4.36Å; F180-F184 HydrophobicContact CZ-CD2 4.33Å; F180-F184 VanDerWaalsContact O-CB 3.23Å; F180-F184 WeakPolarHBondContact O-CB 3.16Å; F180-F184 PolarHBondContact O-N 3.19Å; L181-F184 PolarHBondContact O-N 2.85Å; F184-G186 VanDerWaalsContact C-N 3.3Å; F184-G186 PolarHBondContact O-N 2.95Å; F184-I187 PolarHBondContact O-N 3.48Å; F184-R188 VanDerWaalsContact O-CB 3.25Å; F184-R188 WeakPolarHBondContact O-CB 3.38Å; F184-R188 PolarHBondContact O-N 3.12Å; F184-M263 HydrophobicContact CE2-CE 4.41Å; F184-L267 HydrophobicContact CD2-CD2 3.72Å; F184-L267 HydrophobicContact CE2-CD1 4.03Å; F184-L267 HydrophobicContact CE2-CD2 3.98Å; F184-L267 HydrophobicContact CG-CD2 4.47Å; F184-W271 AromaticContact CD2-CH2 3.87Å; F184-W271 HydrophobicContact CD2-CH2 3.87Å; F184-W271 HydrophobicContact CD2-CZ3 4.42Å; F184-W271 AromaticContact CE2-CH2 3.72Å; F184-W271 HydrophobicContact CE2-CH2 3.72Å; F184-W271 HydrophobicContact CE2-CZ3 4.25Å |
| 185 | T | 94.3 | Very high | 91.4 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 178.4 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | S75 L181 G182 G189 | S75-T185 VanDerWaalsContact CB-OG1 3.28Å; S75-T185 WeakPolarHBondContact CB-OG1 3.42Å; L181-T185 WeakPolarHBondContact O-CB 3.33Å; L181-T185 WeakPolarHBondContact O-CG2 3.43Å; L181-T185 PolarHBondContact O-N 3.39Å; L181-T185 PolarHBondContact O-OG1 3.37Å; G182-T185 PolarHBondContact O-OG1 3.42Å; T185-G189 PolarHBondContact O-N 3.28Å |
| 186 | G | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -56.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q79 G182 V183 F184 G189 L190 | Q79-G186 PolarHBondContact NE2-O 3Å; G182-G186 WeakPolarHBondContact O-CA 3.4Å; G182-G186 PolarHBondContact O-N 3.15Å; V183-G186 PolarHBondContact O-N 3.24Å; F184-G186 VanDerWaalsContact C-N 3.3Å; F184-G186 PolarHBondContact O-N 2.95Å; G186-G189 PolarHBondContact O-N 3.45Å; G186-L190 VanDerWaalsContact O-CD1 3.29Å; G186-L190 WeakPolarHBondContact O-CD1 3.03Å; G186-L190 PolarHBondContact O-N 2.82Å |
| 187 | I | 96.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.4 | -61.5 | 176.1 | 0 | 0 | 0 | 110.8 | Y78 I97 V183 F184 G189 L190 V191 A266 L267 Y270 | Y78-I187 HydrophobicContact CD1-CG1 4.46Å; Y78-I187 HydrophobicContact CE1-CD1 4.14Å; Y78-I187 HydrophobicContact CE1-CG1 3.5Å; I97-I187 HydrophobicContact CG2-CD1 4.48Å; V183-I187 HydrophobicContact CG1-CD1 3.91Å; V183-I187 HydrophobicContact CG1-CG1 4.37Å; V183-I187 WeakPolarHBondContact O-CG1 3.42Å; V183-I187 PolarHBondContact O-N 3.17Å; F184-I187 PolarHBondContact O-N 3.48Å; I187-G189 VanDerWaalsContact C-N 3.26Å; I187-G189 PolarHBondContact O-N 2.87Å; I187-L190 WeakPolarHBondContact O-CB 3.43Å; I187-L190 PolarHBondContact O-N 3.14Å; I187-L190 VanDerWaalsContact O-N 3.13Å; I187-V191 HydrophobicContact CG2-CG2 4.32Å; I187-V191 WeakPolarHBondContact O-CG2 3.48Å; I187-V191 PolarHBondContact O-N 3.33Å; I187-A266 HydrophobicContact CG2-CB 3.57Å; I187-L267 HydrophobicContact CB-CD2 3.72Å; I187-L267 HydrophobicContact CB-CG 4.39Å; I187-L267 HydrophobicContact CD1-CD2 4.32Å; I187-L267 HydrophobicContact CG2-CD2 3.66Å; I187-L267 HydrophobicContact CG2-CG 3.78Å; I187-Y270 HydrophobicContact CD1-CD1 4.34Å; I187-Y270 HydrophobicContact CD1-CD2 4.28Å; I187-Y270 HydrophobicContact CD1-CG 3.79Å |
| 188 | R | 94.6 | Very high | 91.8 | Very high | 89 Ų | 89 | 44 Ų | 44 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -37.8 | 179.8 | -164.8 | 74.8 | -175.8 | 104.5 | -1.3 | 111.5 | F184 V191 N192 | F184-R188 VanDerWaalsContact O-CB 3.25Å; F184-R188 WeakPolarHBondContact O-CB 3.38Å; F184-R188 PolarHBondContact O-N 3.12Å; R188-V191 PolarHBondContact O-N 3.17Å; R188-N192 PolarHBondContact NH1-OD1 3.38Å; R188-N192 WeakPolarHBondContact O-CB 3.41Å; R188-N192 PolarHBondContact O-N 3.04Å; R188-N192 VanDerWaalsContact O-N 3.13Å; R188-N192 PolarHBondContact O-ND2 3.01Å |
| 189 | G | 92.5 | Very high | 91.9 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | T185 G186 I187 N192 L193 | T185-G189 PolarHBondContact O-N 3.28Å; G186-G189 PolarHBondContact O-N 3.45Å; I187-G189 VanDerWaalsContact C-N 3.26Å; I187-G189 PolarHBondContact O-N 2.87Å; G189-N192 PolarHBondContact O-N 2.94Å; G189-L193 PolarHBondContact O-N 3.34Å |
| 190 | L | 92.5 | Very high | 92 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 175.9 | -95 | 69.7 | 0 | 0 | 0 | 111.8 | L64 L69 Q79 L82 W93 G186 I187 N192 L193 L198 | L64-L190 HydrophobicContact CD1-CD1 4.17Å; L64-L190 HydrophobicContact CD2-CG 4.41Å; L69-L190 HydrophobicContact CD1-CD1 4.01Å; L69-L190 HydrophobicContact CD1-CG 4.35Å; Q79-L190 HydrophobicContact CB-CD1 4.14Å; Q79-L190 HydrophobicContact CG-CD1 3.45Å; Q79-L190 VanDerWaalsContact CG-CD1 3.45Å; L82-L190 HydrophobicContact CD1-CD2 3.85Å; W93-L190 HydrophobicContact CE3-CD2 4.28Å; W93-L190 HydrophobicContact CH2-CD2 4.22Å; W93-L190 HydrophobicContact CZ3-CD2 3.72Å; G186-L190 VanDerWaalsContact O-CD1 3.29Å; G186-L190 WeakPolarHBondContact O-CD1 3.03Å; G186-L190 PolarHBondContact O-N 2.82Å; I187-L190 WeakPolarHBondContact O-CB 3.43Å; I187-L190 PolarHBondContact O-N 3.14Å; I187-L190 VanDerWaalsContact O-N 3.13Å; L190-N192 VanDerWaalsContact C-N 3.26Å; L190-N192 PolarHBondContact O-N 3.17Å; L190-L193 PolarHBondContact O-N 3.39Å; L190-L198 HydrophobicContact CB-CD2 4.29Å; L190-L198 HydrophobicContact CD2-CD1 4.12Å |
| 191 | V | 93.7 | Very high | 92 | Very high | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.9 | -28.9 | -176.7 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | I187 R188 L193 L198 T210 P264 A266 | I187-V191 HydrophobicContact CG2-CG2 4.32Å; I187-V191 WeakPolarHBondContact O-CG2 3.48Å; I187-V191 PolarHBondContact O-N 3.33Å; R188-V191 PolarHBondContact O-N 3.17Å; V191-L193 VanDerWaalsContact C-N 3.33Å; V191-L198 HydrophobicContact CG2-CD2 4.26Å; V191-T210 HydrophobicContact CG1-CG2 4.44Å; V191-P264 HydrophobicContact CB-CB 4.49Å; V191-P264 HydrophobicContact CG1-CB 3.75Å; V191-P264 HydrophobicContact CG1-CG 3.64Å; V191-P264 HydrophobicContact CG2-CB 4.13Å; V191-A266 HydrophobicContact CG2-CB 3.81Å |
| 192 | N | 91.1 | Very high | 92 | Very high | 102 Ų | 102 | 40.9 Ų | 40.9 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.3 | -178.9 | -74.4 | -13.6 | 0 | 0 | 0 | 113.8 | R188 G189 L190 | R188-N192 PolarHBondContact NH1-OD1 3.38Å; R188-N192 WeakPolarHBondContact O-CB 3.41Å; R188-N192 PolarHBondContact O-N 3.04Å; R188-N192 VanDerWaalsContact O-N 3.13Å; R188-N192 PolarHBondContact O-ND2 3.01Å; G189-N192 PolarHBondContact O-N 2.94Å; L190-N192 VanDerWaalsContact C-N 3.26Å; L190-N192 PolarHBondContact O-N 3.17Å |
| 193 | L | 84.7 | Confident | 92 | Very high | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 158.4 | 178.8 | -75 | 175.7 | 0 | 0 | 0 | 110.5 | L67 L69 G189 L190 V191 V195 | L67-L193 HydrophobicContact CB-CD1 4.41Å; L67-L193 WeakPolarHBondContact O-CD1 3.39Å; L69-L193 HydrophobicContact CD1-CD1 3.61Å; L69-L193 HydrophobicContact CD2-CD1 3.58Å; L69-L193 HydrophobicContact CG-CD1 3.36Å; G189-L193 PolarHBondContact O-N 3.34Å; L190-L193 PolarHBondContact O-N 3.39Å; V191-L193 VanDerWaalsContact C-N 3.33Å; L193-V195 PolarHBondContact O-N 2.98Å |
| 194 | P | 79.3 | Confident | 91.9 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 58.5 | -175 | 33.2 | -37.2 | 0 | 0 | 0 | 112 | T196 | P194-T196 PolarHBondContact O-N 2.88Å; P194-T196 VanDerWaalsContact O-N 3.16Å |
| 195 | V | 86 | Confident | 91.9 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | trans | -82.9 | 87.2 | 170 | -167.8 | 0 | 0 | 0 | 0 | 107.6 | L64 L67 W93 L193 S197 L198 | L64-V195 HydrophobicContact CD2-CG2 4.36Å; L67-V195 HydrophobicContact CD1-CG2 3.74Å; W93-V195 HydrophobicContact CZ2-CG1 4.15Å; L193-V195 PolarHBondContact O-N 2.98Å; V195-S197 PolarHBondContact O-N 2.89Å; V195-L198 HydrophobicContact CB-CD1 3.64Å; V195-L198 HydrophobicContact CG1-CD1 3.35Å; V195-L198 HydrophobicContact CG2-CD1 4.37Å; V195-L198 WeakPolarHBondContact O-CB 3.44Å; V195-L198 PolarHBondContact O-N 3.47Å | ||
| 196 | T | 87.3 | Confident | 91.9 | Very high | 92 Ų | 92 | 45.5 Ų | 45.5 | 56% | 0.564 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -57.1 | -33.6 | -174 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | P194 L198 Q199 | P194-T196 PolarHBondContact O-N 2.88Å; P194-T196 VanDerWaalsContact O-N 3.16Å; T196-L198 PolarHBondContact O-N 2.87Å; T196-Q199 WeakPolarHBondContact O-CB 3.2Å; T196-Q199 PolarHBondContact O-N 3.43Å |
| 197 | S | 91.9 | Very high | 92 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -66.3 | -18.4 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | E61 W93 V195 Q199 G201 | E61-S197 WeakPolarHBondContact OE1-CB 3.46Å; E61-S197 PolarHBondContact OE1-OG 2.96Å; E61-S197 VanDerWaalsContact OE2-CB 3.26Å; E61-S197 WeakPolarHBondContact OE2-CB 3.23Å; E61-S197 PolarHBondContact OE2-OG 3.37Å; W93-S197 VanDerWaalsContact CD1-O 3.23Å; W93-S197 PolarHBondContact NE1-OG 3.21Å; V195-S197 PolarHBondContact O-N 2.89Å; S197-Q199 VanDerWaalsContact C-N 3.34Å; S197-G201 VanDerWaalsContact O-CA 3.29Å; S197-G201 WeakPolarHBondContact O-CA 3.45Å; S197-G201 PolarHBondContact O-N 3.37Å |
| 198 | L | 93.4 | Very high | 92 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -71.8 | -26.9 | 171 | -96.3 | 95.7 | 0 | 0 | 0 | 113 | W93 L190 V191 V195 T196 T200 G201 L209 T210 | W93-L198 HydrophobicContact CB-CG 4.49Å; W93-L198 HydrophobicContact CD2-CD1 3.75Å; W93-L198 HydrophobicContact CD2-CG 4.14Å; W93-L198 HydrophobicContact CE3-CD1 4.13Å; W93-L198 HydrophobicContact CG-CD1 4.15Å; W93-L198 HydrophobicContact CG-CG 4.06Å; W93-L198 HydrophobicContact CH2-CD1 4.35Å; W93-L198 HydrophobicContact CZ2-CD1 3.99Å; W93-L198 HydrophobicContact CZ3-CD1 4.41Å; L190-L198 HydrophobicContact CB-CD2 4.29Å; L190-L198 HydrophobicContact CD2-CD1 4.12Å; V191-L198 HydrophobicContact CG2-CD2 4.26Å; V195-L198 HydrophobicContact CB-CD1 3.64Å; V195-L198 HydrophobicContact CG1-CD1 3.35Å; V195-L198 HydrophobicContact CG2-CD1 4.37Å; V195-L198 WeakPolarHBondContact O-CB 3.44Å; V195-L198 PolarHBondContact O-N 3.47Å; T196-L198 PolarHBondContact O-N 2.87Å; L198-T200 PolarHBondContact O-N 2.97Å; L198-G201 PolarHBondContact O-N 3.34Å; L198-L209 HydrophobicContact CD2-CB 4.23Å; L198-L209 WeakPolarHBondContact O-CB 3.32Å; L198-L209 PolarHBondContact O-N 2.77Å; L198-L209 VanDerWaalsContact O-N 3.1Å; L198-T210 HydrophobicContact CB-CG2 3.77Å |
| 199 | Q | 93.1 | Very high | 92 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -20.4 | -179 | -63.9 | 178.4 | -11.6 | 0 | 0 | 112.8 | T196 S197 T207 D208 T210 | T196-Q199 WeakPolarHBondContact O-CB 3.2Å; T196-Q199 PolarHBondContact O-N 3.43Å; S197-Q199 VanDerWaalsContact C-N 3.34Å; Q199-T207 CarbonylContact O-C 3.55Å; Q199-D208 WeakPolarHBondContact CA-OD1 3.42Å; Q199-D208 WeakPolarHBondContact O-CA 3.06Å; Q199-D208 WeakPolarHBondContact O-CB 3.23Å; Q199-T210 HydrophobicContact CG-CG2 4.16Å |
| 200 | T | 93 | Very high | 92.2 | Very high | 116 Ų | 116 | 48 Ų | 48 | 71% | 0.712 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -0.1 | 175.8 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | L198 G202 T207 | L198-T200 PolarHBondContact O-N 2.97Å; T200-G202 VanDerWaalsContact C-N 3.29Å; T200-G202 PolarHBondContact O-N 3.25Å; T200-T207 CarbonylContact C-O 3.52Å |
| 201 | G | 92.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | trans | -83.6 | 3.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | W93 W94 S197 L198 | W93-G201 PolarHBondContact N-O 3.23Å; W94-G201 VanDerWaalsContact CD1-O 3.29Å; W94-G201 PolarHBondContact N-O 2.91Å; S197-G201 VanDerWaalsContact O-CA 3.29Å; S197-G201 WeakPolarHBondContact O-CA 3.45Å; S197-G201 PolarHBondContact O-N 3.37Å; L198-G201 PolarHBondContact O-N 3.34Å | ||
| 202 | G | 94 | Very high | 92.4 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | trans | -81.2 | -165 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | W94 T200 F206 T207 | W94-G202 VanDerWaalsContact CD1-O 3.23Å; T200-G202 VanDerWaalsContact C-N 3.29Å; T200-G202 PolarHBondContact O-N 3.25Å; G202-F206 VanDerWaalsContact CA-O 3.29Å; G202-F206 WeakPolarHBondContact CA-O 3.49Å; G202-T207 VanDerWaalsContact CA-O 3.24Å; G202-T207 WeakPolarHBondContact CA-O 3.45Å; G202-T207 PolarHBondContact N-O 2.7Å | ||
| 203 | T | 94.9 | Very high | 92.7 | Very high | 49 Ų | 49 | 47 Ų | 47 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -148.6 | 163.4 | 179.3 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | W94 W205 F206 | W94-T203 HydrophobicContact CB-CG2 4.39Å; W94-T203 HydrophobicContact CD2-CG2 3.77Å; W94-T203 HydrophobicContact CE3-CG2 4.18Å; W94-T203 HydrophobicContact CG-CG2 3.86Å; T203-W205 PolarHBondContact O-N 3.47Å; T203-W205 VanDerWaalsContact O-N 3.16Å; T203-F206 HydrophobicContact CG2-CE1 3.86Å; T203-F206 HydrophobicContact CG2-CE2 3.95Å; T203-F206 HydrophobicContact CG2-CZ 3.38Å; T203-F206 PolarHBondContact N-O 3.34Å; T203-F206 CarbonylContact O-C 3.58Å; T203-F206 VanDerWaalsContact O-CD1 3.24Å; T203-F206 WeakPolarHBondContact O-CD1 3.46Å; T203-F206 WeakPolarHBondContact O-CE1 3.23Å; T203-F206 PolarHBondContact O-N 3.03Å |
| 204 | A | 94.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 60% | 0.595 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | -116.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 205 | W | 94.9 | Very high | 94 | Very high | 94 Ų | 94 | 51.6 Ų | 51.6 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.9 | -177.8 | 65.7 | 84.7 | 0 | 0 | 0 | 114.5 | T203 D213 Y215 I217 L218 | T203-W205 PolarHBondContact O-N 3.47Å; T203-W205 VanDerWaalsContact O-N 3.16Å; W205-D213 VanDerWaalsContact CD1-OD1 3.26Å; W205-D213 PolarHBondContact NE1-OD1 3.5Å; W205-D213 PolarHBondContact NE1-OD2 3.43Å; W205-Y215 HydrophobicContact CB-CD2 3.82Å; W205-Y215 HydrophobicContact CB-CE2 3.94Å; W205-Y215 AromaticContact CD1-CD2 3.89Å; W205-Y215 HydrophobicContact CG-CD2 4.08Å; W205-I217 HydrophobicContact CD2-CD1 4.02Å; W205-I217 HydrophobicContact CG-CD1 4.24Å; W205-I217 HydrophobicContact CH2-CG2 3.87Å; W205-I217 HydrophobicContact CZ2-CB 3.73Å; W205-I217 HydrophobicContact CZ2-CD1 4.39Å; W205-I217 HydrophobicContact CZ2-CG2 3.33Å; W205-L218 HydrophobicContact CZ2-CG 4.44Å |
| 206 | F | 95.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -117.8 | 62.4 | -178.9 | 63.5 | -84.6 | 0 | 0 | 0 | 110.3 | G202 T203 D208 L209 L218 W269 | G202-F206 VanDerWaalsContact CA-O 3.29Å; G202-F206 WeakPolarHBondContact CA-O 3.49Å; T203-F206 HydrophobicContact CG2-CE1 3.86Å; T203-F206 HydrophobicContact CG2-CE2 3.95Å; T203-F206 HydrophobicContact CG2-CZ 3.38Å; T203-F206 PolarHBondContact N-O 3.34Å; T203-F206 CarbonylContact O-C 3.58Å; T203-F206 VanDerWaalsContact O-CD1 3.24Å; T203-F206 WeakPolarHBondContact O-CD1 3.46Å; T203-F206 WeakPolarHBondContact O-CE1 3.23Å; T203-F206 PolarHBondContact O-N 3.03Å; F206-D208 VanDerWaalsContact C-N 3.34Å; F206-D208 PolarHBondContact O-N 2.8Å; F206-L209 HydrophobicContact CD2-CD2 3.99Å; F206-L209 HydrophobicContact CE2-CD2 4.17Å; F206-L218 HydrophobicContact CB-CD1 3.9Å; F206-L218 HydrophobicContact CD1-CD1 3.71Å; F206-L218 HydrophobicContact CD1-CD2 4.36Å; F206-L218 HydrophobicContact CD1-CG 4.02Å; F206-L218 HydrophobicContact CD2-CD1 3.63Å; F206-L218 HydrophobicContact CE1-CD1 4.09Å; F206-L218 HydrophobicContact CE1-CD2 4.06Å; F206-L218 HydrophobicContact CE1-CG 4.23Å; F206-L218 HydrophobicContact CE2-CD1 4.05Å; F206-L218 HydrophobicContact CG-CD1 3.46Å; F206-L218 VanDerWaalsContact CG-CD1 3.46Å; F206-L218 HydrophobicContact CG-CG 4.29Å; F206-L218 HydrophobicContact CZ-CD1 4.25Å; F206-L218 HydrophobicContact CZ-CD2 4.27Å; F206-W269 HydrophobicContact CE2-CD2 4.18Å; F206-W269 HydrophobicContact CE2-CE3 4.23Å; F206-W269 HydrophobicContact CE2-CG 4.32Å; F206-W269 HydrophobicContact CZ-CD2 4.08Å; F206-W269 AromaticContact CZ-CE3 3.76Å; F206-W269 HydrophobicContact CZ-CE3 3.76Å; F206-W269 HydrophobicContact CZ-CH2 4.48Å; F206-W269 AromaticContact CZ-CZ3 3.98Å; F206-W269 HydrophobicContact CZ-CZ3 3.98Å |
| 207 | T | 95.8 | Very high | 94.9 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | trans | -67 | -35.6 | -177.4 | 54 | 0 | 0 | 0 | 0 | 112.8 | Q199 T200 G202 | Q199-T207 CarbonylContact O-C 3.55Å; T200-T207 CarbonylContact C-O 3.52Å; G202-T207 VanDerWaalsContact CA-O 3.24Å; G202-T207 WeakPolarHBondContact CA-O 3.45Å; G202-T207 PolarHBondContact N-O 2.7Å | ||
| 208 | D | 96 | Very high | 95.1 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | trans | -90.3 | 109.3 | 176.1 | -173.3 | -8.8 | 0 | 0 | 0 | 110.6 | Q199 F206 T210 A211 | Q199-D208 WeakPolarHBondContact CA-OD1 3.42Å; Q199-D208 WeakPolarHBondContact O-CA 3.06Å; Q199-D208 WeakPolarHBondContact O-CB 3.23Å; F206-D208 VanDerWaalsContact C-N 3.34Å; F206-D208 PolarHBondContact O-N 2.8Å; D208-T210 VanDerWaalsContact C-N 3.26Å; D208-T210 PolarHBondContact O-N 2.94Å; D208-T210 WeakPolarHBondContact OD1-CA 3.26Å; D208-T210 WeakPolarHBondContact OD1-CB 3.08Å; D208-T210 PolarHBondContact OD1-N 3.48Å; D208-T210 PolarHBondContact OD1-OG1 3.15Å; D208-T210 PolarHBondContact OD2-OG1 2.9Å; D208-A211 HydrophobicContact CB-CB 4.17Å; D208-A211 PolarHBondContact OD1-N 2.88Å; D208-A211 WeakPolarHBondContact OD2-CB 3.26Å | ||
| 209 | L | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -76.7 | -15.1 | 178.4 | -67.6 | 175.9 | 0 | 0 | 0 | 113 | W93 I97 L198 F206 S265 A266 | W93-L209 HydrophobicContact CB-CD1 3.46Å; W93-L209 VanDerWaalsContact CB-CD1 3.46Å; I97-L209 HydrophobicContact CD1-CD1 4.28Å; L198-L209 HydrophobicContact CD2-CB 4.23Å; L198-L209 WeakPolarHBondContact O-CB 3.32Å; L198-L209 PolarHBondContact O-N 2.77Å; L198-L209 VanDerWaalsContact O-N 3.1Å; F206-L209 HydrophobicContact CD2-CD2 3.99Å; F206-L209 HydrophobicContact CE2-CD2 4.17Å; L209-S265 PolarHBondContact O-N 3.44Å; L209-A266 HydrophobicContact CB-CB 4.07Å; L209-A266 WeakPolarHBondContact O-CB 3.47Å; L209-A266 PolarHBondContact O-N 3.49Å |
| 210 | T | 95.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -86.5 | -28.5 | -179.4 | 73.6 | 0 | 0 | 0 | 0 | 112.4 | V191 L198 Q199 D208 P264 | V191-T210 HydrophobicContact CG1-CG2 4.44Å; L198-T210 HydrophobicContact CB-CG2 3.77Å; Q199-T210 HydrophobicContact CG-CG2 4.16Å; D208-T210 VanDerWaalsContact C-N 3.26Å; D208-T210 PolarHBondContact O-N 2.94Å; D208-T210 WeakPolarHBondContact OD1-CA 3.26Å; D208-T210 WeakPolarHBondContact OD1-CB 3.08Å; D208-T210 PolarHBondContact OD1-N 3.48Å; D208-T210 PolarHBondContact OD1-OG1 3.15Å; D208-T210 PolarHBondContact OD2-OG1 2.9Å; T210-P264 WeakPolarHBondContact O-CB 3.48Å |
| 211 | A | 95 | Very high | 95.7 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -87.4 | 159.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D208 S265 | D208-A211 HydrophobicContact CB-CB 4.17Å; D208-A211 PolarHBondContact OD1-N 2.88Å; D208-A211 WeakPolarHBondContact OD2-CB 3.26Å; A211-S265 WeakPolarHBondContact O-CB 3.33Å; A211-S265 PolarHBondContact O-N 3.12Å; A211-S265 PolarHBondContact O-OG 3.39Å |
| 212 | S | 96.2 | Very high | 95.9 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 152.4 | 170.4 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | P214 M263 | S212-P214 WeakPolarHBondContact O-CD 3.33Å; S212-P214 VanDerWaalsContact O-N 3.16Å; S212-M263 WeakPolarHBondContact CA-O 3.23Å |
| 213 | D | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 116.9 | 177.8 | -179.9 | -14.3 | 0 | 0 | 0 | 110.1 | W205 Y215 C216 I217 L218 S265 | W205-D213 VanDerWaalsContact CD1-OD1 3.26Å; W205-D213 PolarHBondContact NE1-OD1 3.5Å; W205-D213 PolarHBondContact NE1-OD2 3.43Å; D213-Y215 PolarHBondContact O-N 2.83Å; D213-Y215 VanDerWaalsContact O-N 3.13Å; D213-Y215 PolarHBondContact OD1-N 3.31Å; D213-C216 PolarHBondContact O-N 2.89Å; D213-C216 PolarHBondContact OD1-N 3.04Å; D213-I217 PolarHBondContact OD2-N 2.89Å; D213-I217 VanDerWaalsContact OD2-N 3.07Å; D213-L218 HydrophobicContact CB-CB 4.21Å; D213-L218 HydrophobicContact CB-CD1 4.4Å; D213-L218 VanDerWaalsContact OD2-CB 3.24Å; D213-L218 WeakPolarHBondContact OD2-CB 3.1Å; D213-L218 WeakPolarHBondContact OD2-CG 3.49Å; D213-L218 PolarHBondContact OD2-N 2.76Å; D213-S265 PolarHBondContact N-OG 2.88Å; D213-S265 VanDerWaalsContact N-OG 3.16Å |
| 214 | P | 94.8 | Very high | 96.1 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 58% | 0.584 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.3 | -176.1 | 24 | -33.9 | 0 | 0 | 0 | 113.7 | S212 | S212-P214 WeakPolarHBondContact O-CD 3.33Å; S212-P214 VanDerWaalsContact O-N 3.16Å |
| 215 | Y | 96 | Very high | 96.2 | Very high | 162 Ų | 162 | 48.2 Ų | 48.2 | 64% | 0.635 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 1.7 | -177.2 | -56.7 | -70.3 | 0 | 0 | 0 | 113.4 | W205 D213 I217 | W205-Y215 HydrophobicContact CB-CD2 3.82Å; W205-Y215 HydrophobicContact CB-CE2 3.94Å; W205-Y215 AromaticContact CD1-CD2 3.89Å; W205-Y215 HydrophobicContact CG-CD2 4.08Å; D213-Y215 PolarHBondContact O-N 2.83Å; D213-Y215 VanDerWaalsContact O-N 3.13Å; D213-Y215 PolarHBondContact OD1-N 3.31Å; Y215-I217 HydrophobicContact CG-CD1 4.42Å; Y215-I217 PolarHBondContact O-N 3.09Å |
| 216 | C | 95.6 | Very high | 96.2 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 29% | 0.291 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 54.6 | 19.6 | -176.5 | -67.1 | 0 | 0 | 0 | 0 | 115 | D213 F220 F257 | D213-C216 PolarHBondContact O-N 2.89Å; D213-C216 PolarHBondContact OD1-N 3.04Å; C216-F220 WeakPolarHBondContact O-CB 3.38Å; C216-F220 PolarHBondContact O-N 3.36Å; C216-F220 VanDerWaalsContact O-N 3.14Å; C216-F257 HydrophobicContact CB-CZ 4.35Å |
| 217 | I | 97.1 | Very high | 96.2 | Very high | 70 Ų | 70 | 48 Ų | 48 | 36% | 0.359 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.6 | -43.1 | -178.6 | -61.2 | 168.6 | 0 | 0 | 0 | 110 | W205 D213 Y215 F220 L221 | W205-I217 HydrophobicContact CD2-CD1 4.02Å; W205-I217 HydrophobicContact CG-CD1 4.24Å; W205-I217 HydrophobicContact CH2-CG2 3.87Å; W205-I217 HydrophobicContact CZ2-CB 3.73Å; W205-I217 HydrophobicContact CZ2-CD1 4.39Å; W205-I217 HydrophobicContact CZ2-CG2 3.33Å; D213-I217 PolarHBondContact OD2-N 2.89Å; D213-I217 VanDerWaalsContact OD2-N 3.07Å; Y215-I217 HydrophobicContact CG-CD1 4.42Å; Y215-I217 PolarHBondContact O-N 3.09Å; I217-F220 PolarHBondContact O-N 3.27Å; I217-L221 VanDerWaalsContact O-CB 3.27Å; I217-L221 WeakPolarHBondContact O-CB 3.27Å; I217-L221 PolarHBondContact O-N 2.96Å |
| 218 | L | 96 | Very high | 96 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -53 | 175.7 | -80 | 178.1 | 0 | 0 | 0 | 112.3 | W205 F206 D213 F220 L221 S222 V268 W269 | W205-L218 HydrophobicContact CZ2-CG 4.44Å; F206-L218 HydrophobicContact CB-CD1 3.9Å; F206-L218 HydrophobicContact CD1-CD1 3.71Å; F206-L218 HydrophobicContact CD1-CD2 4.36Å; F206-L218 HydrophobicContact CD1-CG 4.02Å; F206-L218 HydrophobicContact CD2-CD1 3.63Å; F206-L218 HydrophobicContact CE1-CD1 4.09Å; F206-L218 HydrophobicContact CE1-CD2 4.06Å; F206-L218 HydrophobicContact CE1-CG 4.23Å; F206-L218 HydrophobicContact CE2-CD1 4.05Å; F206-L218 HydrophobicContact CG-CD1 3.46Å; F206-L218 VanDerWaalsContact CG-CD1 3.46Å; F206-L218 HydrophobicContact CG-CG 4.29Å; F206-L218 HydrophobicContact CZ-CD1 4.25Å; F206-L218 HydrophobicContact CZ-CD2 4.27Å; D213-L218 HydrophobicContact CB-CB 4.21Å; D213-L218 HydrophobicContact CB-CD1 4.4Å; D213-L218 VanDerWaalsContact OD2-CB 3.24Å; D213-L218 WeakPolarHBondContact OD2-CB 3.1Å; D213-L218 WeakPolarHBondContact OD2-CG 3.49Å; D213-L218 PolarHBondContact OD2-N 2.76Å; L218-F220 VanDerWaalsContact C-N 3.29Å; L218-F220 PolarHBondContact O-N 3.31Å; L218-L221 PolarHBondContact O-N 3.24Å; L218-S222 VanDerWaalsContact O-CB 3.25Å; L218-S222 WeakPolarHBondContact O-CB 3.29Å; L218-S222 PolarHBondContact O-N 3.12Å; L218-V268 HydrophobicContact CB-CG1 3.87Å; L218-W269 HydrophobicContact CD2-CE3 3.62Å; L218-W269 HydrophobicContact CD2-CZ3 4.1Å |
| 219 | P | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -48.5 | -49.2 | 170.9 | -34.4 | 37.5 | 0 | 0 | 0 | 113.4 | S222 M223 F257 V260 V268 | P219-S222 PolarHBondContact O-N 3.39Å; P219-M223 WeakPolarHBondContact O-CG 3.47Å; P219-M223 PolarHBondContact O-N 3.39Å; P219-F257 HydrophobicContact CB-CD2 3.89Å; P219-F257 HydrophobicContact CB-CE2 3.68Å; P219-V260 HydrophobicContact CB-CG2 3.93Å; P219-V268 HydrophobicContact CG-CG1 4.16Å |
| 220 | F | 97.6 | Very high | 95.4 | Very high | 131 Ų | 131 | 49.3 Ų | 49.3 | 58% | 0.575 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.5 | -47.6 | -177.8 | 178.2 | -99.9 | 0 | 0 | 0 | 111.7 | C216 I217 L218 M223 S224 F257 | C216-F220 WeakPolarHBondContact O-CB 3.38Å; C216-F220 PolarHBondContact O-N 3.36Å; C216-F220 VanDerWaalsContact O-N 3.14Å; I217-F220 PolarHBondContact O-N 3.27Å; L218-F220 VanDerWaalsContact C-N 3.29Å; L218-F220 PolarHBondContact O-N 3.31Å; F220-M223 PolarHBondContact O-N 3.38Å; F220-S224 VanDerWaalsContact O-CB 3.23Å; F220-S224 WeakPolarHBondContact O-CB 3.38Å; F220-S224 PolarHBondContact O-N 2.86Å; F220-S224 PolarHBondContact O-OG 3.19Å; F220-F257 HydrophobicContact CB-CD2 4.47Å; F220-F257 HydrophobicContact CB-CE2 3.88Å |
| 221 | L | 97.1 | Very high | 95 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 178.7 | 179.7 | 61.5 | 0 | 0 | 0 | 111.1 | I217 L218 M223 S224 L225 T272 | I217-L221 VanDerWaalsContact O-CB 3.27Å; I217-L221 WeakPolarHBondContact O-CB 3.27Å; I217-L221 PolarHBondContact O-N 2.96Å; L218-L221 PolarHBondContact O-N 3.24Å; L221-M223 PolarHBondContact O-N 3.36Å; L221-S224 PolarHBondContact O-N 2.89Å; L221-L225 HydrophobicContact CD1-CD1 4.24Å; L221-L225 HydrophobicContact CD1-CG 4.3Å; L221-L225 HydrophobicContact CG-CD1 4.09Å; L221-L225 WeakPolarHBondContact O-CB 3.27Å; L221-L225 VanDerWaalsContact O-CG 3.29Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 3.39Å; L221-T272 HydrophobicContact CD2-CG2 3.77Å; L221-T272 HydrophobicContact CG-CG2 3.98Å |
| 222 | S | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 179.3 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | L218 P219 L225 L226 W271 T272 N275 | L218-S222 VanDerWaalsContact O-CB 3.25Å; L218-S222 WeakPolarHBondContact O-CB 3.29Å; L218-S222 PolarHBondContact O-N 3.12Å; P219-S222 PolarHBondContact O-N 3.39Å; S222-L225 PolarHBondContact O-N 3.25Å; S222-L226 PolarHBondContact O-N 2.93Å; S222-W271 WeakPolarHBondContact OG-CB 3.36Å; S222-T272 WeakPolarHBondContact CB-OG1 3.4Å; S222-N275 PolarHBondContact O-ND2 2.91Å; S222-N275 PolarHBondContact OG-ND2 2.8Å |
| 223 | M | 97.3 | Very high | 93.5 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.5 | -33.3 | -179.6 | -65.4 | -57.3 | 103.9 | 0 | 0 | 112.3 | P219 F220 L221 L226 L227 P253 F257 V260 | P219-M223 WeakPolarHBondContact O-CG 3.47Å; P219-M223 PolarHBondContact O-N 3.39Å; F220-M223 PolarHBondContact O-N 3.38Å; L221-M223 PolarHBondContact O-N 3.36Å; M223-L226 PolarHBondContact O-N 3.4Å; M223-L226 HydrophobicContact SD-CD2 4.29Å; M223-L227 WeakPolarHBondContact O-CB 3.46Å; M223-L227 PolarHBondContact O-N 3.31Å; M223-P253 HydrophobicContact CB-CB 4.25Å; M223-P253 WeakPolarHBondContact CG-O 3.36Å; M223-F257 HydrophobicContact CB-CB 4.44Å; M223-F257 HydrophobicContact CG-CB 3.93Å; M223-V260 HydrophobicContact CE-CG1 4.35Å; M223-V260 HydrophobicContact CE-CG2 4.21Å; M223-V260 HydrophobicContact CG-CG2 4.25Å |
| 224 | S | 96.8 | Very high | 91.7 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 172.8 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | F220 L221 L226 L227 L228 | F220-S224 VanDerWaalsContact O-CB 3.23Å; F220-S224 WeakPolarHBondContact O-CB 3.38Å; F220-S224 PolarHBondContact O-N 2.86Å; F220-S224 PolarHBondContact O-OG 3.19Å; L221-S224 PolarHBondContact O-N 2.89Å; S224-L226 VanDerWaalsContact C-N 3.34Å; S224-L226 PolarHBondContact O-N 3.33Å; S224-L227 PolarHBondContact O-N 3.07Å; S224-L228 WeakPolarHBondContact O-CB 3.45Å; S224-L228 PolarHBondContact O-N 2.72Å |
| 225 | L | 96.8 | Very high | 90.1 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 174.1 | -73.1 | 168.9 | 0 | 0 | 0 | 112 | L221 S222 L228 T229 T272 N275 L276 L279 | L221-L225 HydrophobicContact CD1-CD1 4.24Å; L221-L225 HydrophobicContact CD1-CG 4.3Å; L221-L225 HydrophobicContact CG-CD1 4.09Å; L221-L225 WeakPolarHBondContact O-CB 3.27Å; L221-L225 VanDerWaalsContact O-CG 3.29Å; L221-L225 WeakPolarHBondContact O-CG 3.38Å; L221-L225 PolarHBondContact O-N 3.39Å; S222-L225 PolarHBondContact O-N 3.25Å; L225-L228 PolarHBondContact O-N 2.89Å; L225-T229 WeakPolarHBondContact O-CB 3.38Å; L225-T229 PolarHBondContact O-N 2.89Å; L225-T229 PolarHBondContact O-OG1 2.79Å; L225-T272 HydrophobicContact CD1-CG2 4Å; L225-N275 HydrophobicContact CB-CB 3.82Å; L225-L276 HydrophobicContact CD1-CB 4.09Å; L225-L276 HydrophobicContact CD2-CD1 4.11Å; L225-L279 HydrophobicContact CD2-CD2 3.88Å |
| 226 | L | 94.7 | Very high | 88.1 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -47.4 | 175.2 | -178.1 | 60.3 | 0 | 0 | 0 | 111.6 | S222 M223 S224 L228 T229 F230 P253 | S222-L226 PolarHBondContact O-N 2.93Å; M223-L226 PolarHBondContact O-N 3.4Å; M223-L226 HydrophobicContact SD-CD2 4.29Å; S224-L226 VanDerWaalsContact C-N 3.34Å; S224-L226 PolarHBondContact O-N 3.33Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 3.29Å; L226-T229 WeakPolarHBondContact O-CB 3.3Å; L226-T229 PolarHBondContact O-N 3.46Å; L226-T229 VanDerWaalsContact O-N 3.15Å; L226-F230 HydrophobicContact CD1-CE1 4.4Å; L226-F230 HydrophobicContact CD1-CE2 3.84Å; L226-F230 HydrophobicContact CD1-CZ 3.77Å; L226-F230 HydrophobicContact CD2-CE2 4.28Å; L226-F230 HydrophobicContact CG-CD2 4.32Å; L226-F230 HydrophobicContact CG-CE2 3.76Å; L226-F230 HydrophobicContact CG-CZ 4.21Å; L226-F230 PolarHBondContact O-N 3.46Å; L226-P253 HydrophobicContact CB-CG 4.5Å; L226-P253 HydrophobicContact CD2-CB 4.47Å; L226-P253 HydrophobicContact CD2-CG 4.14Å; L226-P253 HydrophobicContact CG-CG 4.1Å |
| 227 | L | 94.1 | Very high | 86.2 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 31% | 0.314 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 175.8 | -178.6 | 63.9 | 0 | 0 | 0 | 111.1 | M223 S224 T229 F230 E231 R250 P253 | M223-L227 WeakPolarHBondContact O-CB 3.46Å; M223-L227 PolarHBondContact O-N 3.31Å; S224-L227 PolarHBondContact O-N 3.07Å; L227-T229 VanDerWaalsContact C-N 3.3Å; L227-T229 PolarHBondContact O-N 3.37Å; L227-F230 PolarHBondContact O-N 2.89Å; L227-E231 PolarHBondContact O-N 3.3Å; L227-R250 HydrophobicContact CD1-CB 4.48Å; L227-R250 HydrophobicContact CD1-CG 4.25Å; L227-P253 HydrophobicContact CB-CB 4.15Å; L227-P253 HydrophobicContact CB-CG 4.03Å; L227-P253 HydrophobicContact CD1-CG 4.26Å |
| 228 | L | 93.6 | Very high | 84.1 | Confident | 84 Ų | 84 | 43 Ų | 43 | 44% | 0.44 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.3 | -35.5 | 177.1 | -173.9 | 58.9 | 0 | 0 | 0 | 112 | S224 L225 L226 F230 E231 T232 L279 | S224-L228 WeakPolarHBondContact O-CB 3.45Å; S224-L228 PolarHBondContact O-N 2.72Å; L225-L228 PolarHBondContact O-N 2.89Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 3.29Å; L228-F230 VanDerWaalsContact C-N 3.34Å; L228-F230 PolarHBondContact O-N 3.31Å; L228-E231 PolarHBondContact O-N 3.29Å; L228-T232 HydrophobicContact CD1-CG2 4.05Å; L228-T232 HydrophobicContact CG-CG2 4.28Å; L228-T232 WeakPolarHBondContact O-CB 3.18Å; L228-T232 VanDerWaalsContact O-CG2 3.25Å; L228-T232 WeakPolarHBondContact O-CG2 3.36Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.47Å; L228-L279 HydrophobicContact CB-CD1 4.47Å; L228-L279 HydrophobicContact CD2-CD1 4.21Å; L228-L279 HydrophobicContact CD2-CD2 3.56Å; L228-L279 HydrophobicContact CG-CD1 3.85Å; L228-L279 HydrophobicContact CG-CD2 4.09Å |
| 229 | T | 91.5 | Very high | 82 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 174 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | L225 L226 L227 T232 G233 | L225-T229 WeakPolarHBondContact O-CB 3.38Å; L225-T229 PolarHBondContact O-N 2.89Å; L225-T229 PolarHBondContact O-OG1 2.79Å; L226-T229 WeakPolarHBondContact O-CB 3.3Å; L226-T229 PolarHBondContact O-N 3.46Å; L226-T229 VanDerWaalsContact O-N 3.15Å; L227-T229 VanDerWaalsContact C-N 3.3Å; L227-T229 PolarHBondContact O-N 3.37Å; T229-T232 WeakPolarHBondContact CA-OG1 3.5Å; T229-T232 PolarHBondContact O-OG1 3.49Å; T229-T232 VanDerWaalsContact O-OG1 3.08Å; T229-G233 PolarHBondContact O-N 2.87Å |
| 230 | F | 88.2 | Confident | 80 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 174.6 | -66.4 | -39.6 | 0 | 0 | 0 | 112.6 | L226 L227 L228 T232 G233 L236 S249 L252 P253 | L226-F230 HydrophobicContact CD1-CE1 4.4Å; L226-F230 HydrophobicContact CD1-CE2 3.84Å; L226-F230 HydrophobicContact CD1-CZ 3.77Å; L226-F230 HydrophobicContact CD2-CE2 4.28Å; L226-F230 HydrophobicContact CG-CD2 4.32Å; L226-F230 HydrophobicContact CG-CE2 3.76Å; L226-F230 HydrophobicContact CG-CZ 4.21Å; L226-F230 PolarHBondContact O-N 3.46Å; L227-F230 PolarHBondContact O-N 2.89Å; L228-F230 VanDerWaalsContact C-N 3.34Å; L228-F230 PolarHBondContact O-N 3.31Å; F230-T232 VanDerWaalsContact C-N 3.33Å; F230-T232 PolarHBondContact O-N 3.06Å; F230-G233 PolarHBondContact O-N 2.78Å; F230-L236 HydrophobicContact CB-CD2 4.12Å; F230-S249 WeakPolarHBondContact CD2-O 3.49Å; F230-L252 HydrophobicContact CE2-CD2 4.24Å; F230-L252 HydrophobicContact CZ-CD2 4.28Å; F230-P253 HydrophobicContact CD2-CG 4.13Å; F230-P253 HydrophobicContact CE2-CG 4.12Å |
| 231 | E | 85.5 | Confident | 78.3 | Confident | 50 Ų | 50 | 40 Ų | 40 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.6 | -28.4 | 179.5 | -74.2 | -66.8 | 162.4 | 0 | 0 | 113.1 | L227 L228 R237 R250 | L227-E231 PolarHBondContact O-N 3.3Å; L228-E231 PolarHBondContact O-N 3.29Å; E231-R237 VanDerWaalsContact O-CD 3.31Å; E231-R237 WeakPolarHBondContact O-CD 3.47Å; E231-R237 IonicContact OE2-NH1 3.3Å; E231-R237 PolarHBondContact OE2-NH1 3.3Å; E231-R250 IonicContact OE1-CZ 3.78Å; E231-R250 VanDerWaalsContact OE1-CZ 3.23Å; E231-R250 IonicContact OE1-NE 3.96Å; E231-R250 PolarHBondContact OE1-NE 3.03Å; E231-R250 IonicContact OE1-NH2 3.46Å; E231-R250 PolarHBondContact OE1-NH2 3.32Å; E231-R250 IonicContact OE2-NH2 2.68Å |
| 232 | T | 84 | Confident | 76.8 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.9 | -18.9 | 173.8 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | L228 T229 F230 A234 L279 S282 | L228-T232 HydrophobicContact CD1-CG2 4.05Å; L228-T232 HydrophobicContact CG-CG2 4.28Å; L228-T232 WeakPolarHBondContact O-CB 3.18Å; L228-T232 VanDerWaalsContact O-CG2 3.25Å; L228-T232 WeakPolarHBondContact O-CG2 3.36Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.47Å; T229-T232 WeakPolarHBondContact CA-OG1 3.5Å; T229-T232 PolarHBondContact O-OG1 3.49Å; T229-T232 VanDerWaalsContact O-OG1 3.08Å; F230-T232 VanDerWaalsContact C-N 3.33Å; F230-T232 PolarHBondContact O-N 3.06Å; T232-A234 PolarHBondContact O-N 2.89Å; T232-A234 VanDerWaalsContact O-N 3.09Å; T232-L279 HydrophobicContact CG2-CD1 3.97Å; T232-S282 PolarHBondContact OG1-OG 3.21Å |
| 233 | G | 76.5 | Confident | 75.6 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | trans | -65.5 | 103.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T229 F230 E235 L236 R237 | T229-G233 PolarHBondContact O-N 2.87Å; F230-G233 PolarHBondContact O-N 2.78Å; G233-E235 PolarHBondContact O-N 2.93Å; G233-E235 VanDerWaalsContact O-N 3.1Å; G233-L236 PolarHBondContact O-N 3.44Å; G233-L236 VanDerWaalsContact O-N 3.1Å; G233-R237 PolarHBondContact O-N 3.45Å | ||
| 234 | A | 58.9 | Low | 74.6 | Confident | 49 Ų | 49 | 48.6 Ų | 48.6 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T232 L236 R237 S238 | T232-A234 PolarHBondContact O-N 2.89Å; T232-A234 VanDerWaalsContact O-N 3.09Å; A234-L236 VanDerWaalsContact C-N 3.33Å; A234-L236 PolarHBondContact O-N 3.33Å; A234-R237 PolarHBondContact O-N 2.85Å; A234-S238 PolarHBondContact O-N 3.24Å |
| 235 | E | 60.7 | Low | 73.8 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -36.1 | -179.4 | -66.6 | 143.7 | 172.1 | 0 | 0 | 111.8 | R116 L119 G233 S238 T241 V299 | R116-E235 IonicContact CZ-OE2 3.24Å; R116-E235 IonicContact NH1-OE2 3.21Å; R116-E235 PolarHBondContact NH1-OE2 3.48Å; L119-E235 HydrophobicContact CD2-CB 4.26Å; L119-E235 VanDerWaalsContact CD2-CD 3.5Å; L119-E235 HydrophobicContact CD2-CG 4.28Å; L119-E235 WeakPolarHBondContact CD2-OE2 3.18Å; L119-E235 HydrophobicContact CG-CB 4.16Å; L119-E235 HydrophobicContact CG-CG 3.98Å; G233-E235 PolarHBondContact O-N 2.93Å; G233-E235 VanDerWaalsContact O-N 3.1Å; E235-S238 WeakPolarHBondContact O-CB 3.27Å; E235-S238 PolarHBondContact O-OG 3.44Å; E235-T241 PolarHBondContact O-OG1 3.35Å; E235-T241 VanDerWaalsContact O-OG1 3.12Å; E235-V299 HydrophobicContact CG-CG2 4.33Å |
| 236 | L | 55.3 | Low | 73 | Confident | 45 Ų | 45 | 53 Ų | 53 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -25.4 | -178.8 | -140.9 | 73.2 | 0 | 0 | 0 | 113.2 | F230 G233 A234 S238 T241 I245 S249 | F230-L236 HydrophobicContact CB-CD2 4.12Å; G233-L236 PolarHBondContact O-N 3.44Å; G233-L236 VanDerWaalsContact O-N 3.1Å; A234-L236 VanDerWaalsContact C-N 3.33Å; A234-L236 PolarHBondContact O-N 3.33Å; L236-S238 VanDerWaalsContact C-N 3.25Å; L236-T241 WeakPolarHBondContact CA-OG1 3.49Å; L236-T241 HydrophobicContact CD1-CG2 3.97Å; L236-T241 HydrophobicContact CG-CG2 4.16Å; L236-T241 WeakPolarHBondContact O-CB 3.5Å; L236-T241 PolarHBondContact O-OG1 3.39Å; L236-I245 HydrophobicContact CD1-CG2 3.81Å; L236-S249 VanDerWaalsContact CD2-OG 3.25Å; L236-S249 WeakPolarHBondContact CD2-OG 3.29Å |
| 237 | R | 53.9 | Low | 72.6 | Confident | 164 Ų | 164 | 55.4 Ų | 55.4 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.6 | 173.9 | -65.9 | -172.5 | 73.9 | 97.5 | -3 | 113 | E231 G233 A234 G239 | E231-R237 VanDerWaalsContact O-CD 3.31Å; E231-R237 WeakPolarHBondContact O-CD 3.47Å; E231-R237 IonicContact OE2-NH1 3.3Å; E231-R237 PolarHBondContact OE2-NH1 3.3Å; G233-R237 PolarHBondContact O-N 3.45Å; A234-R237 PolarHBondContact O-N 2.85Å; R237-G239 PolarHBondContact O-N 2.89Å |
| 238 | S | 53 | Low | 72.3 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -53.2 | 129.3 | 169.7 | 64.9 | 0 | 0 | 0 | 0 | 107.6 | A234 E235 L236 Q240 T241 | A234-S238 PolarHBondContact O-N 3.24Å; E235-S238 WeakPolarHBondContact O-CB 3.27Å; E235-S238 PolarHBondContact O-OG 3.44Å; L236-S238 VanDerWaalsContact C-N 3.25Å; S238-Q240 PolarHBondContact O-N 3.25Å; S238-T241 PolarHBondContact O-N 3.48Å; S238-T241 PolarHBondContact OG-N 3.34Å; S238-T241 PolarHBondContact OG-OG1 3.41Å |
| 239 | G | 51.9 | Low | 72 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -0.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R237 | R237-G239 PolarHBondContact O-N 2.89Š|
| 240 | Q | 55.6 | Low | 71.9 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -4.5 | -177.9 | -69.6 | 174.4 | -13.2 | 0 | 0 | 113.2 | P127 S238 Q242 P302 | P127-Q240 HydrophobicContact CB-CG 4.39Å; P127-Q240 VanDerWaalsContact CB-NE2 3.32Å; S238-Q240 PolarHBondContact O-N 3.25Å; Q240-Q242 PolarHBondContact O-N 2.88Å; Q240-Q242 VanDerWaalsContact O-N 3.1Å; Q240-P302 HydrophobicContact CG-CB 3.5Å; Q240-P302 VanDerWaalsContact NE2-CA 3.34Å |
| 241 | T | 61.4 | Low | 72.1 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -64.3 | 115.9 | 164.1 | -62.8 | 0 | 0 | 0 | 0 | 107.3 | E235 L236 S238 I245 | E235-T241 PolarHBondContact O-OG1 3.35Å; E235-T241 VanDerWaalsContact O-OG1 3.12Å; L236-T241 WeakPolarHBondContact CA-OG1 3.49Å; L236-T241 HydrophobicContact CD1-CG2 3.97Å; L236-T241 HydrophobicContact CG-CG2 4.16Å; L236-T241 WeakPolarHBondContact O-CB 3.5Å; L236-T241 PolarHBondContact O-OG1 3.39Å; S238-T241 PolarHBondContact O-N 3.48Å; S238-T241 PolarHBondContact OG-N 3.34Å; S238-T241 PolarHBondContact OG-OG1 3.41Å; T241-I245 HydrophobicContact CG2-CB 3.59Å; T241-I245 HydrophobicContact CG2-CD1 4.35Å; T241-I245 HydrophobicContact CG2-CG2 3.51Å |
| 242 | Q | 66.2 | Low | 72.5 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | trans | -42.7 | 133.8 | 178.4 | -70.4 | -74.3 | 12.6 | 0 | 0 | 109.8 | Q240 T244 I245 R246 | Q240-Q242 PolarHBondContact O-N 2.88Å; Q240-Q242 VanDerWaalsContact O-N 3.1Å; Q242-T244 PolarHBondContact O-N 3.31Å; Q242-I245 HydrophobicContact CB-CD1 4.07Å; Q242-I245 HydrophobicContact CB-CG1 4.16Å; Q242-I245 HydrophobicContact CG-CD1 4.47Å; Q242-I245 WeakPolarHBondContact O-CB 3.34Å; Q242-I245 PolarHBondContact O-N 3.45Å; Q242-R246 PolarHBondContact O-N 3.46Å | ||
| 243 | P | 72.3 | Confident | 73 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -52.9 | -33.9 | -178.5 | 20.1 | -32.1 | 0 | 0 | 0 | 111.5 | I245 R246 V247 | P243-I245 PolarHBondContact O-N 3.46Å; P243-R246 PolarHBondContact O-N 2.86Å; P243-V247 WeakPolarHBondContact O-CG2 3.42Å; P243-V247 PolarHBondContact O-N 3.31Å |
| 244 | T | 75.4 | Confident | 73.9 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 66% | 0.656 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -55.6 | -45.2 | 172.8 | -47.7 | 0 | 0 | 0 | 0 | 113.2 | Q242 V247 F248 | Q242-T244 PolarHBondContact O-N 3.31Å; T244-V247 PolarHBondContact O-N 3.27Å; T244-F248 WeakPolarHBondContact O-CB 3.4Å; T244-F248 PolarHBondContact O-N 2.98Å |
| 245 | I | 80 | Confident | 75.6 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 179.4 | -63.5 | 170.3 | 0 | 0 | 0 | 110.1 | L236 T241 Q242 P243 F248 S249 | L236-I245 HydrophobicContact CD1-CG2 3.81Å; T241-I245 HydrophobicContact CG2-CB 3.59Å; T241-I245 HydrophobicContact CG2-CD1 4.35Å; T241-I245 HydrophobicContact CG2-CG2 3.51Å; Q242-I245 HydrophobicContact CB-CD1 4.07Å; Q242-I245 HydrophobicContact CB-CG1 4.16Å; Q242-I245 HydrophobicContact CG-CD1 4.47Å; Q242-I245 WeakPolarHBondContact O-CB 3.34Å; Q242-I245 PolarHBondContact O-N 3.45Å; P243-I245 PolarHBondContact O-N 3.46Å; I245-F248 PolarHBondContact O-N 2.91Å; I245-S249 WeakPolarHBondContact O-CB 3.5Å; I245-S249 PolarHBondContact O-N 2.98Å; I245-S249 PolarHBondContact O-OG 3.29Å |
| 246 | R | 81.1 | Confident | 77.2 | Confident | 78 Ų | 78 | 66 Ų | 66 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 177.9 | -171.9 | -175.2 | -63.7 | 163.4 | 4.5 | 112.2 | Q242 P243 S249 R250 | Q242-R246 PolarHBondContact O-N 3.46Å; P243-R246 PolarHBondContact O-N 2.86Å; R246-S249 PolarHBondContact O-OG 2.65Å; R246-R250 VanDerWaalsContact O-CG 3.32Å; R246-R250 WeakPolarHBondContact O-CG 3.38Å; R246-R250 PolarHBondContact O-N 3.06Å |
| 247 | V | 85.9 | Confident | 79.2 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 109.6 | P243 T244 S249 R250 A251 | P243-V247 WeakPolarHBondContact O-CG2 3.42Å; P243-V247 PolarHBondContact O-N 3.31Å; T244-V247 PolarHBondContact O-N 3.27Å; V247-S249 PolarHBondContact O-N 3.34Å; V247-R250 PolarHBondContact O-N 3.41Å; V247-A251 VanDerWaalsContact O-CB 3.32Å; V247-A251 WeakPolarHBondContact O-CB 3.49Å; V247-A251 PolarHBondContact O-N 3.06Å |
| 248 | F | 87.5 | Confident | 81.2 | Confident | 130 Ų | 130 | 63.9 Ų | 63.9 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.6 | -47 | 178.4 | 177.8 | -100 | 0 | 0 | 0 | 112.4 | T244 I245 R250 A251 L252 | T244-F248 WeakPolarHBondContact O-CB 3.4Å; T244-F248 PolarHBondContact O-N 2.98Å; I245-F248 PolarHBondContact O-N 2.91Å; F248-R250 PolarHBondContact O-N 2.96Å; F248-A251 PolarHBondContact O-N 3.37Å; F248-L252 HydrophobicContact CE1-CD2 4.27Å; F248-L252 HydrophobicContact CZ-CD1 4.33Å; F248-L252 HydrophobicContact CZ-CD2 4.47Å; F248-L252 VanDerWaalsContact O-CB 3.23Å; F248-L252 WeakPolarHBondContact O-CB 3.42Å; F248-L252 PolarHBondContact O-N 3.37Å |
| 249 | S | 87.5 | Confident | 83.1 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -25.1 | 179.3 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | F230 L236 I245 R246 V247 P253 | F230-S249 WeakPolarHBondContact CD2-O 3.49Å; L236-S249 VanDerWaalsContact CD2-OG 3.25Å; L236-S249 WeakPolarHBondContact CD2-OG 3.29Å; I245-S249 WeakPolarHBondContact O-CB 3.5Å; I245-S249 PolarHBondContact O-N 2.98Å; I245-S249 PolarHBondContact O-OG 3.29Å; R246-S249 PolarHBondContact O-OG 2.65Å; V247-S249 PolarHBondContact O-N 3.34Å; S249-P253 WeakPolarHBondContact O-CD 3.45Å |
| 250 | R | 90.3 | Very high | 85.1 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 43% | 0.434 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -86.5 | -37.2 | 175.5 | -71.6 | 174.2 | 175.5 | -178.8 | -2.9 | 112.3 | L227 E231 R246 V247 F248 V254 | L227-R250 HydrophobicContact CD1-CB 4.48Å; L227-R250 HydrophobicContact CD1-CG 4.25Å; E231-R250 IonicContact OE1-CZ 3.78Å; E231-R250 VanDerWaalsContact OE1-CZ 3.23Å; E231-R250 IonicContact OE1-NE 3.96Å; E231-R250 PolarHBondContact OE1-NE 3.03Å; E231-R250 IonicContact OE1-NH2 3.46Å; E231-R250 PolarHBondContact OE1-NH2 3.32Å; E231-R250 IonicContact OE2-NH2 2.68Å; R246-R250 VanDerWaalsContact O-CG 3.32Å; R246-R250 WeakPolarHBondContact O-CG 3.38Å; R246-R250 PolarHBondContact O-N 3.06Å; V247-R250 PolarHBondContact O-N 3.41Å; F248-R250 PolarHBondContact O-N 2.96Å; R250-V254 WeakPolarHBondContact O-CG2 3.24Å |
| 251 | A | 92.2 | Very high | 87 | Confident | 42 Ų | 42 | 70 Ų | 70 | 35% | 0.347 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.7 | -35.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V247 F248 V254 V255 | V247-A251 VanDerWaalsContact O-CB 3.32Å; V247-A251 WeakPolarHBondContact O-CB 3.49Å; V247-A251 PolarHBondContact O-N 3.06Å; F248-A251 PolarHBondContact O-N 3.37Å; A251-V254 WeakPolarHBondContact O-CB 3.45Å; A251-V254 PolarHBondContact O-N 3.08Å; A251-V254 VanDerWaalsContact O-N 3.09Å; A251-V255 WeakPolarHBondContact O-CG2 3.25Å; A251-V255 PolarHBondContact O-N 2.84Å |
| 252 | L | 93.2 | Very high | 88.6 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.7 | -48.9 | -175.7 | 177.8 | 71.4 | 0 | 0 | 0 | 112.9 | F230 F248 V254 G256 | F230-L252 HydrophobicContact CE2-CD2 4.24Å; F230-L252 HydrophobicContact CZ-CD2 4.28Å; F248-L252 HydrophobicContact CE1-CD2 4.27Å; F248-L252 HydrophobicContact CZ-CD1 4.33Å; F248-L252 HydrophobicContact CZ-CD2 4.47Å; F248-L252 VanDerWaalsContact O-CB 3.23Å; F248-L252 WeakPolarHBondContact O-CB 3.42Å; F248-L252 PolarHBondContact O-N 3.37Å; L252-V254 VanDerWaalsContact C-N 3.33Å; L252-V254 PolarHBondContact O-N 2.98Å; L252-G256 WeakPolarHBondContact O-CA 3.47Å; L252-G256 PolarHBondContact O-N 3.3Å |
| 253 | P | 94 | Very high | 90 | Very high | 5 Ų | 5 | 72.8 Ų | 72.8 | 3% | 0.032 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.2 | -33.5 | 174 | -23.7 | 34.1 | 0 | 0 | 0 | 114 | M223 L226 L227 F230 S249 G256 F257 | M223-P253 HydrophobicContact CB-CB 4.25Å; M223-P253 WeakPolarHBondContact CG-O 3.36Å; L226-P253 HydrophobicContact CB-CG 4.5Å; L226-P253 HydrophobicContact CD2-CB 4.47Å; L226-P253 HydrophobicContact CD2-CG 4.14Å; L226-P253 HydrophobicContact CG-CG 4.1Å; L227-P253 HydrophobicContact CB-CB 4.15Å; L227-P253 HydrophobicContact CB-CG 4.03Å; L227-P253 HydrophobicContact CD1-CG 4.26Å; F230-P253 HydrophobicContact CD2-CG 4.13Å; F230-P253 HydrophobicContact CE2-CG 4.12Å; S249-P253 WeakPolarHBondContact O-CD 3.45Å; P253-G256 PolarHBondContact O-N 2.73Å; P253-F257 PolarHBondContact O-N 3.06Å |
| 254 | V | 95.1 | Very high | 91.1 | Very high | 97 Ų | 97 | 69.5 Ų | 69.5 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.4 | -47.3 | 179.8 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | R250 A251 L252 G256 F257 | R250-V254 WeakPolarHBondContact O-CG2 3.24Å; A251-V254 WeakPolarHBondContact O-CB 3.45Å; A251-V254 PolarHBondContact O-N 3.08Å; A251-V254 VanDerWaalsContact O-N 3.09Å; L252-V254 VanDerWaalsContact C-N 3.33Å; L252-V254 PolarHBondContact O-N 2.98Å; V254-G256 VanDerWaalsContact C-N 3.34Å; V254-F257 WeakPolarHBondContact O-CB 3.41Å; V254-F257 PolarHBondContact O-N 3.35Å |
| 255 | V | 95.4 | Very high | 92.1 | Very high | 95 Ų | 95 | 64.5 Ų | 64.5 | 58% | 0.576 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69 | -37.6 | 174.4 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | A251 F257 L258 F259 | A251-V255 WeakPolarHBondContact O-CG2 3.25Å; A251-V255 PolarHBondContact O-N 2.84Å; V255-F257 VanDerWaalsContact C-N 3.28Å; V255-F257 PolarHBondContact O-N 2.74Å; V255-L258 WeakPolarHBondContact O-CB 3.23Å; V255-L258 PolarHBondContact O-N 3.14Å; V255-L258 VanDerWaalsContact O-N 3.1Å; V255-F259 PolarHBondContact O-N 3.07Å |
| 256 | G | 94.3 | Very high | 93 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.5 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L252 P253 V254 L258 F259 V260 | L252-G256 WeakPolarHBondContact O-CA 3.47Å; L252-G256 PolarHBondContact O-N 3.3Å; P253-G256 PolarHBondContact O-N 2.73Å; V254-G256 VanDerWaalsContact C-N 3.34Å; G256-L258 VanDerWaalsContact C-N 3.28Å; G256-L258 PolarHBondContact O-N 2.98Å; G256-F259 WeakPolarHBondContact O-CB 3.45Å; G256-F259 PolarHBondContact O-N 3.4Å; G256-V260 WeakPolarHBondContact O-CG2 3.31Å; G256-V260 PolarHBondContact O-N 3.33Å |
| 257 | F | 96.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.5 | -43.5 | 173.7 | 177 | -97.7 | 0 | 0 | 0 | 111.9 | C216 P219 F220 M223 P253 V254 V255 F259 V260 M261 | C216-F257 HydrophobicContact CB-CZ 4.35Å; P219-F257 HydrophobicContact CB-CD2 3.89Å; P219-F257 HydrophobicContact CB-CE2 3.68Å; F220-F257 HydrophobicContact CB-CD2 4.47Å; F220-F257 HydrophobicContact CB-CE2 3.88Å; M223-F257 HydrophobicContact CB-CB 4.44Å; M223-F257 HydrophobicContact CG-CB 3.93Å; P253-F257 PolarHBondContact O-N 3.06Å; V254-F257 WeakPolarHBondContact O-CB 3.41Å; V254-F257 PolarHBondContact O-N 3.35Å; V255-F257 VanDerWaalsContact C-N 3.28Å; V255-F257 PolarHBondContact O-N 2.74Å; F257-F259 PolarHBondContact O-N 3.35Å; F257-V260 PolarHBondContact O-N 3.43Å; F257-M261 HydrophobicContact CD1-CE 4.16Å; F257-M261 HydrophobicContact CE1-CE 3.92Å; F257-M261 PolarHBondContact O-N 3.34Å |
| 258 | L | 95.3 | Very high | 94.3 | Very high | 109 Ų | 109 | 53 Ų | 53 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.8 | -29.2 | 178.6 | -55.3 | 178.4 | 0 | 0 | 0 | 112.9 | V255 G256 M261 | V255-L258 WeakPolarHBondContact O-CB 3.23Å; V255-L258 PolarHBondContact O-N 3.14Å; V255-L258 VanDerWaalsContact O-N 3.1Å; G256-L258 VanDerWaalsContact C-N 3.28Å; G256-L258 PolarHBondContact O-N 2.98Å; L258-M261 HydrophobicContact CB-CE 4.2Å; L258-M261 HydrophobicContact CD2-CE 3.37Å; L258-M261 HydrophobicContact CG-CE 4.37Å; L258-M261 WeakPolarHBondContact O-CG 3.43Å |
| 259 | F | 93.3 | Very high | 94.8 | Very high | 135 Ų | 135 | 48.6 Ų | 48.6 | 59% | 0.592 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -78.4 | -42 | 178.3 | -178.8 | -105.3 | 0 | 0 | 0 | 112.2 | V255 G256 F257 M263 | V255-F259 PolarHBondContact O-N 3.07Å; G256-F259 WeakPolarHBondContact O-CB 3.45Å; G256-F259 PolarHBondContact O-N 3.4Å; F257-F259 PolarHBondContact O-N 3.35Å; F259-M263 HydrophobicContact CD1-CE 4.08Å; F259-M263 HydrophobicContact CD1-SD 4.26Å; F259-M263 HydrophobicContact CE1-CE 3.23Å; F259-M263 HydrophobicContact CE1-SD 3.89Å; F259-M263 HydrophobicContact CE2-CE 4.34Å; F259-M263 HydrophobicContact CZ-CE 3.4Å |
| 260 | V | 94.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -84.4 | -15.3 | -175.3 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | P219 M223 G256 F257 N262 M263 V268 | P219-V260 HydrophobicContact CB-CG2 3.93Å; M223-V260 HydrophobicContact CE-CG1 4.35Å; M223-V260 HydrophobicContact CE-CG2 4.21Å; M223-V260 HydrophobicContact CG-CG2 4.25Å; G256-V260 WeakPolarHBondContact O-CG2 3.31Å; G256-V260 PolarHBondContact O-N 3.33Å; F257-V260 PolarHBondContact O-N 3.43Å; V260-N262 PolarHBondContact O-N 3.1Å; V260-M263 HydrophobicContact CG1-SD 4.36Å; V260-M263 WeakPolarHBondContact O-CB 3.44Å; V260-M263 PolarHBondContact O-N 3.03Å; V260-M263 VanDerWaalsContact O-N 3.11Å; V260-V268 HydrophobicContact CB-CG2 4.34Å |
| 261 | M | 95.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32 | -178.5 | 71.3 | 164.3 | 79.8 | 0 | 0 | 113.7 | F257 L258 | F257-M261 HydrophobicContact CD1-CE 4.16Å; F257-M261 HydrophobicContact CE1-CE 3.92Å; F257-M261 PolarHBondContact O-N 3.34Å; L258-M261 HydrophobicContact CB-CE 4.2Å; L258-M261 HydrophobicContact CD2-CE 3.37Å; L258-M261 HydrophobicContact CG-CE 4.37Å; L258-M261 WeakPolarHBondContact O-CG 3.43Å |
| 262 | N | 94.4 | Very high | 95.7 | Very high | 128 Ų | 128 | 43.8 Ų | 43.8 | 68% | 0.684 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 6.8 | -179.1 | -63 | -52 | 0 | 0 | 0 | 112.9 | V260 | V260-N262 PolarHBondContact O-N 3.1Š|
| 263 | M | 95.3 | Very high | 95.9 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -85.4 | 150.8 | 179.2 | -72.9 | -165.6 | 147.2 | 0 | 0 | 111.4 | F184 S212 F259 V260 S265 V268 W271 | F184-M263 HydrophobicContact CE2-CE 4.41Å; S212-M263 WeakPolarHBondContact CA-O 3.23Å; F259-M263 HydrophobicContact CD1-CE 4.08Å; F259-M263 HydrophobicContact CD1-SD 4.26Å; F259-M263 HydrophobicContact CE1-CE 3.23Å; F259-M263 HydrophobicContact CE1-SD 3.89Å; F259-M263 HydrophobicContact CE2-CE 4.34Å; F259-M263 HydrophobicContact CZ-CE 3.4Å; V260-M263 HydrophobicContact CG1-SD 4.36Å; V260-M263 WeakPolarHBondContact O-CB 3.44Å; V260-M263 PolarHBondContact O-N 3.03Å; V260-M263 VanDerWaalsContact O-N 3.11Å; M263-S265 PolarHBondContact O-N 3.32Å; M263-V268 HydrophobicContact CB-CG2 3.94Å; M263-W271 HydrophobicContact SD-CH2 4Å; M263-W271 HydrophobicContact SD-CZ3 3.67Å |
| 264 | P | 96.7 | Very high | 96 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -51.6 | 137.3 | 171.2 | -28.4 | 34.4 | 0 | 0 | 0 | 113.1 | V191 T210 A266 L267 V268 | V191-P264 HydrophobicContact CB-CB 4.49Å; V191-P264 HydrophobicContact CG1-CB 3.75Å; V191-P264 HydrophobicContact CG1-CG 3.64Å; V191-P264 HydrophobicContact CG2-CB 4.13Å; T210-P264 WeakPolarHBondContact O-CB 3.48Å; P264-A266 PolarHBondContact O-N 3.26Å; P264-A266 VanDerWaalsContact O-N 3.12Å; P264-L267 PolarHBondContact O-N 3.49Å; P264-V268 PolarHBondContact O-N 3.39Å |
| 265 | S | 97 | Very high | 96.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.5 | -30.9 | -177.2 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | L209 A211 D213 M263 L267 V268 W269 | L209-S265 PolarHBondContact O-N 3.44Å; A211-S265 WeakPolarHBondContact O-CB 3.33Å; A211-S265 PolarHBondContact O-N 3.12Å; A211-S265 PolarHBondContact O-OG 3.39Å; D213-S265 PolarHBondContact N-OG 2.88Å; D213-S265 VanDerWaalsContact N-OG 3.16Å; M263-S265 PolarHBondContact O-N 3.32Å; S265-L267 VanDerWaalsContact C-N 3.32Å; S265-L267 PolarHBondContact O-N 2.99Å; S265-V268 PolarHBondContact O-N 3.03Å; S265-W269 WeakPolarHBondContact O-CB 3.33Å; S265-W269 PolarHBondContact O-N 3.13Å |
| 266 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.9 | -45.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I97 I187 V191 L209 P264 Y270 | I97-A266 HydrophobicContact CD1-CB 4.03Å; I187-A266 HydrophobicContact CG2-CB 3.57Å; V191-A266 HydrophobicContact CG2-CB 3.81Å; L209-A266 HydrophobicContact CB-CB 4.07Å; L209-A266 WeakPolarHBondContact O-CB 3.47Å; L209-A266 PolarHBondContact O-N 3.49Å; P264-A266 PolarHBondContact O-N 3.26Å; P264-A266 VanDerWaalsContact O-N 3.12Å; A266-Y270 PolarHBondContact O-N 3.38Å; A266-Y270 VanDerWaalsContact O-N 3.07Å |
| 267 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.4 | -46.1 | -179.4 | -75.9 | 169.9 | 0 | 0 | 0 | 110.7 | F184 I187 P264 S265 W269 Y270 W271 | F184-L267 HydrophobicContact CD2-CD2 3.72Å; F184-L267 HydrophobicContact CE2-CD1 4.03Å; F184-L267 HydrophobicContact CE2-CD2 3.98Å; F184-L267 HydrophobicContact CG-CD2 4.47Å; I187-L267 HydrophobicContact CB-CD2 3.72Å; I187-L267 HydrophobicContact CB-CG 4.39Å; I187-L267 HydrophobicContact CD1-CD2 4.32Å; I187-L267 HydrophobicContact CG2-CD2 3.66Å; I187-L267 HydrophobicContact CG2-CG 3.78Å; P264-L267 PolarHBondContact O-N 3.49Å; S265-L267 VanDerWaalsContact C-N 3.32Å; S265-L267 PolarHBondContact O-N 2.99Å; L267-W269 VanDerWaalsContact C-N 3.29Å; L267-W269 PolarHBondContact O-N 3.29Å; L267-Y270 WeakPolarHBondContact O-CB 3.23Å; L267-Y270 PolarHBondContact O-N 2.87Å; L267-W271 HydrophobicContact CB-CE3 4.2Å; L267-W271 HydrophobicContact CB-CZ3 3.93Å; L267-W271 PolarHBondContact O-N 3.27Å |
| 268 | V | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | -179.7 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | L218 P219 V260 M263 P264 S265 W271 T272 | L218-V268 HydrophobicContact CB-CG1 3.87Å; P219-V268 HydrophobicContact CG-CG1 4.16Å; V260-V268 HydrophobicContact CB-CG2 4.34Å; M263-V268 HydrophobicContact CB-CG2 3.94Å; P264-V268 PolarHBondContact O-N 3.39Å; S265-V268 PolarHBondContact O-N 3.03Å; V268-W271 PolarHBondContact O-N 3.5Å; V268-T272 WeakPolarHBondContact O-CB 3.29Å; V268-T272 PolarHBondContact O-N 2.66Å; V268-T272 PolarHBondContact O-OG1 2.84Å |
| 269 | W | 97.8 | Very high | 96 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 15% | 0.148 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 173.8 | 179.1 | -120.1 | 0 | 0 | 0 | 112 | W94 A98 F206 L218 S265 L267 W271 T272 V273 | W94-W269 AromaticContact CE3-CZ2 3.78Å; W94-W269 HydrophobicContact CE3-CZ2 3.78Å; W94-W269 HydrophobicContact CZ3-CZ2 4.24Å; W94-W269 PolarHBondContact O-NE1 3.4Å; A98-W269 HydrophobicContact CB-CZ2 4.23Å; F206-W269 HydrophobicContact CE2-CD2 4.18Å; F206-W269 HydrophobicContact CE2-CE3 4.23Å; F206-W269 HydrophobicContact CE2-CG 4.32Å; F206-W269 HydrophobicContact CZ-CD2 4.08Å; F206-W269 AromaticContact CZ-CE3 3.76Å; F206-W269 HydrophobicContact CZ-CE3 3.76Å; F206-W269 HydrophobicContact CZ-CH2 4.48Å; F206-W269 AromaticContact CZ-CZ3 3.98Å; F206-W269 HydrophobicContact CZ-CZ3 3.98Å; L218-W269 HydrophobicContact CD2-CE3 3.62Å; L218-W269 HydrophobicContact CD2-CZ3 4.1Å; S265-W269 WeakPolarHBondContact O-CB 3.33Å; S265-W269 PolarHBondContact O-N 3.13Å; L267-W269 VanDerWaalsContact C-N 3.29Å; L267-W269 PolarHBondContact O-N 3.29Å; W269-W271 VanDerWaalsContact C-N 3.31Å; W269-W271 PolarHBondContact O-N 2.89Å; W269-T272 HydrophobicContact CE3-CG2 4.49Å; W269-T272 HydrophobicContact CZ3-CG2 4.44Å; W269-T272 WeakPolarHBondContact O-CB 3.35Å; W269-T272 PolarHBondContact O-N 2.88Å; W269-T272 VanDerWaalsContact O-N 3.08Å; W269-V273 HydrophobicContact CD2-CG2 4.06Å; W269-V273 HydrophobicContact CE3-CG2 4.43Å; W269-V273 HydrophobicContact CH2-CG2 4.16Å; W269-V273 HydrophobicContact CZ2-CG2 3.73Å; W269-V273 HydrophobicContact CZ3-CG2 4.49Å; W269-V273 WeakPolarHBondContact O-CG2 3.28Å; W269-V273 PolarHBondContact O-N 2.93Å |
| 270 | Y | 97 | Very high | 96.1 | Very high | 15 Ų | 15 | 27.6 Ų | 27.6 | 6% | 0.059 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -51.5 | -51.3 | 170.9 | 158.5 | -103.5 | 0 | 0 | 0 | 111.1 | T101 F180 V183 I187 A266 L267 T272 V273 S274 | T101-Y270 HydrophobicContact CG2-CD2 4.04Å; T101-Y270 HydrophobicContact CG2-CE2 3.97Å; T101-Y270 VanDerWaalsContact OG1-CD2 3.27Å; T101-Y270 WeakPolarHBondContact OG1-CD2 3.23Å; F180-Y270 HydrophobicContact CD2-CE1 4.23Å; F180-Y270 HydrophobicContact CE2-CE1 4.02Å; V183-Y270 HydrophobicContact CB-CE2 4.29Å; V183-Y270 HydrophobicContact CG1-CD1 4.29Å; V183-Y270 HydrophobicContact CG1-CD2 3.64Å; V183-Y270 HydrophobicContact CG1-CE1 4.01Å; V183-Y270 HydrophobicContact CG1-CE2 3.37Å; V183-Y270 HydrophobicContact CG1-CG 4.11Å; I187-Y270 HydrophobicContact CD1-CD1 4.34Å; I187-Y270 HydrophobicContact CD1-CD2 4.28Å; I187-Y270 HydrophobicContact CD1-CG 3.79Å; A266-Y270 PolarHBondContact O-N 3.38Å; A266-Y270 VanDerWaalsContact O-N 3.07Å; L267-Y270 WeakPolarHBondContact O-CB 3.23Å; L267-Y270 PolarHBondContact O-N 2.87Å; Y270-T272 VanDerWaalsContact C-N 3.31Å; Y270-T272 PolarHBondContact O-N 3.44Å; Y270-V273 PolarHBondContact O-N 2.8Å; Y270-S274 WeakPolarHBondContact O-CB 3.39Å; Y270-S274 PolarHBondContact O-N 3.26Å |
| 271 | W | 95.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 27.8 Ų | 27.8 | 17% | 0.17 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 177.3 | -95.2 | -65.9 | 0 | 0 | 0 | 112.8 | F180 F184 S222 M263 L267 V268 W269 S274 N275 | F180-W271 AromaticContact CE2-CE2 3.9Å; F180-W271 AromaticContact CE2-CZ2 3.89Å; F180-W271 HydrophobicContact CE2-CZ2 3.89Å; F180-W271 AromaticContact CE2-NE1 3.72Å; F180-W271 HydrophobicContact CZ-CH2 4.39Å; F180-W271 AromaticContact CZ-CZ2 3.55Å; F180-W271 HydrophobicContact CZ-CZ2 3.55Å; F184-W271 AromaticContact CD2-CH2 3.87Å; F184-W271 HydrophobicContact CD2-CH2 3.87Å; F184-W271 HydrophobicContact CD2-CZ3 4.42Å; F184-W271 AromaticContact CE2-CH2 3.72Å; F184-W271 HydrophobicContact CE2-CH2 3.72Å; F184-W271 HydrophobicContact CE2-CZ3 4.25Å; S222-W271 WeakPolarHBondContact OG-CB 3.36Å; M263-W271 HydrophobicContact SD-CH2 4Å; M263-W271 HydrophobicContact SD-CZ3 3.67Å; L267-W271 HydrophobicContact CB-CE3 4.2Å; L267-W271 HydrophobicContact CB-CZ3 3.93Å; L267-W271 PolarHBondContact O-N 3.27Å; V268-W271 PolarHBondContact O-N 3.5Å; W269-W271 VanDerWaalsContact C-N 3.31Å; W269-W271 PolarHBondContact O-N 2.89Å; W271-S274 PolarHBondContact O-N 3.01Å; W271-N275 VanDerWaalsContact O-CB 3.27Å; W271-N275 WeakPolarHBondContact O-CB 3.11Å; W271-N275 PolarHBondContact O-N 3.3Å; W271-N275 PolarHBondContact O-ND2 3.35Å |
| 272 | T | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.3 | -51.8 | 179.9 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | L221 S222 L225 V268 W269 Y270 S274 N275 L276 | L221-T272 HydrophobicContact CD2-CG2 3.77Å; L221-T272 HydrophobicContact CG-CG2 3.98Å; S222-T272 WeakPolarHBondContact CB-OG1 3.4Å; L225-T272 HydrophobicContact CD1-CG2 4Å; V268-T272 WeakPolarHBondContact O-CB 3.29Å; V268-T272 PolarHBondContact O-N 2.66Å; V268-T272 PolarHBondContact O-OG1 2.84Å; W269-T272 HydrophobicContact CE3-CG2 4.49Å; W269-T272 HydrophobicContact CZ3-CG2 4.44Å; W269-T272 WeakPolarHBondContact O-CB 3.35Å; W269-T272 PolarHBondContact O-N 2.88Å; W269-T272 VanDerWaalsContact O-N 3.08Å; Y270-T272 VanDerWaalsContact C-N 3.31Å; Y270-T272 PolarHBondContact O-N 3.44Å; T272-S274 VanDerWaalsContact C-N 3.33Å; T272-S274 PolarHBondContact O-N 2.96Å; T272-N275 PolarHBondContact O-N 2.88Å; T272-L276 WeakPolarHBondContact O-CB 3.36Å; T272-L276 PolarHBondContact O-N 2.8Å |
| 273 | V | 97.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 23 Ų | 23 | 7% | 0.067 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | A98 T101 I102 W269 Y270 N275 L276 V277 | A98-V273 HydrophobicContact CB-CG1 4.32Å; A98-V273 HydrophobicContact CB-CG2 3.93Å; T101-V273 HydrophobicContact CG2-CB 4.25Å; T101-V273 HydrophobicContact CG2-CG1 3.95Å; I102-V273 HydrophobicContact CD1-CG1 4.43Å; I102-V273 HydrophobicContact CG1-CG1 4.05Å; W269-V273 HydrophobicContact CD2-CG2 4.06Å; W269-V273 HydrophobicContact CE3-CG2 4.43Å; W269-V273 HydrophobicContact CH2-CG2 4.16Å; W269-V273 HydrophobicContact CZ2-CG2 3.73Å; W269-V273 HydrophobicContact CZ3-CG2 4.49Å; W269-V273 WeakPolarHBondContact O-CG2 3.28Å; W269-V273 PolarHBondContact O-N 2.93Å; Y270-V273 PolarHBondContact O-N 2.8Å; V273-N275 PolarHBondContact O-N 3.31Å; V273-L276 WeakPolarHBondContact O-CB 3.48Å; V273-L276 PolarHBondContact O-N 3.07Å; V273-V277 HydrophobicContact CG1-CG2 4.45Å; V273-V277 WeakPolarHBondContact O-CG2 3.49Å; V273-V277 PolarHBondContact O-N 3.28Å |
| 274 | S | 95.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 179.6 | -156.9 | 0 | 0 | 0 | 0 | 112.1 | R105 Y270 W271 T272 S278 | R105-S274 VanDerWaalsContact CZ-OG 3.28Å; R105-S274 PolarHBondContact NE-OG 3.25Å; R105-S274 PolarHBondContact NH2-O 2.94Å; R105-S274 PolarHBondContact NH2-OG 2.78Å; Y270-S274 WeakPolarHBondContact O-CB 3.39Å; Y270-S274 PolarHBondContact O-N 3.26Å; W271-S274 PolarHBondContact O-N 3.01Å; T272-S274 VanDerWaalsContact C-N 3.33Å; T272-S274 PolarHBondContact O-N 2.96Å; S274-S278 WeakPolarHBondContact O-CB 3.24Å; S274-S278 PolarHBondContact O-N 3.35Å; S274-S278 PolarHBondContact O-OG 3.47Å |
| 275 | N | 96 | Very high | 95 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.9 | -39 | 175.6 | -71.8 | -22.1 | 0 | 0 | 0 | 111.5 | S222 L225 W271 T272 V273 S278 L279 | S222-N275 PolarHBondContact O-ND2 2.91Å; S222-N275 PolarHBondContact OG-ND2 2.8Å; L225-N275 HydrophobicContact CB-CB 3.82Å; W271-N275 VanDerWaalsContact O-CB 3.27Å; W271-N275 WeakPolarHBondContact O-CB 3.11Å; W271-N275 PolarHBondContact O-N 3.3Å; W271-N275 PolarHBondContact O-ND2 3.35Å; T272-N275 PolarHBondContact O-N 2.88Å; V273-N275 PolarHBondContact O-N 3.31Å; N275-S278 WeakPolarHBondContact O-CB 3.49Å; N275-S278 PolarHBondContact O-N 2.78Å; N275-L279 WeakPolarHBondContact O-CB 3.34Å; N275-L279 PolarHBondContact O-N 3.11Å |
| 276 | L | 97.2 | Very high | 94.5 | Very high | 80 Ų | 80 | 31.9 Ų | 31.9 | 42% | 0.419 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.2 | -51.4 | 173.2 | -178.4 | 62 | 0 | 0 | 0 | 110.8 | L225 T272 V273 S278 L279 L280 | L225-L276 HydrophobicContact CD1-CB 4.09Å; L225-L276 HydrophobicContact CD2-CD1 4.11Å; T272-L276 WeakPolarHBondContact O-CB 3.36Å; T272-L276 PolarHBondContact O-N 2.8Å; V273-L276 WeakPolarHBondContact O-CB 3.48Å; V273-L276 PolarHBondContact O-N 3.07Å; L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 3.33Å; L276-L279 WeakPolarHBondContact O-CB 3.22Å; L276-L279 PolarHBondContact O-N 3.23Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L276-L280 HydrophobicContact CD1-CD1 3.68Å; L276-L280 HydrophobicContact CG-CD1 3.78Å; L276-L280 WeakPolarHBondContact O-CD1 3.35Å; L276-L280 PolarHBondContact O-N 3.02Å |
| 277 | V | 96.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | I102 R105 V273 L279 L280 Q281 | I102-V277 HydrophobicContact CG1-CG2 3.91Å; R105-V277 HydrophobicContact CB-CB 4.49Å; R105-V277 HydrophobicContact CB-CG1 3.64Å; R105-V277 HydrophobicContact CG-CB 4.35Å; R105-V277 HydrophobicContact CG-CG1 3.97Å; V273-V277 HydrophobicContact CG1-CG2 4.45Å; V273-V277 WeakPolarHBondContact O-CG2 3.49Å; V273-V277 PolarHBondContact O-N 3.28Å; V277-L279 VanDerWaalsContact C-N 3.34Å; V277-L279 PolarHBondContact O-N 3.42Å; V277-L280 PolarHBondContact O-N 2.98Å; V277-Q281 HydrophobicContact CG1-CG 4.26Å; V277-Q281 WeakPolarHBondContact O-CB 3.5Å; V277-Q281 VanDerWaalsContact O-CG 3.25Å; V277-Q281 WeakPolarHBondContact O-CG 3.49Å; V277-Q281 PolarHBondContact O-N 3.07Å |
| 278 | S | 93.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 176 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | R105 S274 N275 L276 Q281 S282 | R105-S278 PolarHBondContact NH1-OG 3.3Å; R105-S278 PolarHBondContact NH2-OG 3.12Å; S274-S278 WeakPolarHBondContact O-CB 3.24Å; S274-S278 PolarHBondContact O-N 3.35Å; S274-S278 PolarHBondContact O-OG 3.47Å; N275-S278 WeakPolarHBondContact O-CB 3.49Å; N275-S278 PolarHBondContact O-N 2.78Å; L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 3.33Å; S278-Q281 PolarHBondContact O-N 3.41Å; S278-S282 WeakPolarHBondContact O-CB 3.44Å; S278-S282 PolarHBondContact O-N 3.16Å |
| 279 | L | 94.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 175.6 | 179 | 62.9 | 0 | 0 | 0 | 110.9 | L225 L228 T232 N275 L276 V277 Q281 S282 V283 | L225-L279 HydrophobicContact CD2-CD2 3.88Å; L228-L279 HydrophobicContact CB-CD1 4.47Å; L228-L279 HydrophobicContact CD2-CD1 4.21Å; L228-L279 HydrophobicContact CD2-CD2 3.56Å; L228-L279 HydrophobicContact CG-CD1 3.85Å; L228-L279 HydrophobicContact CG-CD2 4.09Å; T232-L279 HydrophobicContact CG2-CD1 3.97Å; N275-L279 WeakPolarHBondContact O-CB 3.34Å; N275-L279 PolarHBondContact O-N 3.11Å; L276-L279 WeakPolarHBondContact O-CB 3.22Å; L276-L279 PolarHBondContact O-N 3.23Å; L276-L279 VanDerWaalsContact O-N 3.15Å; V277-L279 VanDerWaalsContact C-N 3.34Å; V277-L279 PolarHBondContact O-N 3.42Å; L279-Q281 VanDerWaalsContact C-N 3.35Å; L279-Q281 PolarHBondContact O-N 2.89Å; L279-S282 WeakPolarHBondContact O-CB 3.25Å; L279-S282 PolarHBondContact O-N 3.13Å; L279-S282 VanDerWaalsContact O-N 3.14Å; L279-V283 HydrophobicContact CD1-CG2 4.42Å; L279-V283 WeakPolarHBondContact O-CG2 3.24Å; L279-V283 PolarHBondContact O-N 3.24Å |
| 280 | L | 94.3 | Very high | 93.2 | Very high | 94 Ų | 94 | 54 Ų | 54 | 49% | 0.492 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 175.8 | -87.1 | 90.4 | 0 | 0 | 0 | 111.2 | L276 V277 S282 V283 I284 | L276-L280 HydrophobicContact CD1-CD1 3.68Å; L276-L280 HydrophobicContact CG-CD1 3.78Å; L276-L280 WeakPolarHBondContact O-CD1 3.35Å; L276-L280 PolarHBondContact O-N 3.02Å; V277-L280 PolarHBondContact O-N 2.98Å; L280-S282 VanDerWaalsContact C-N 3.32Å; L280-S282 PolarHBondContact O-N 3.16Å; L280-V283 PolarHBondContact O-N 3Å; L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 VanDerWaalsContact O-CG1 3.24Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.39Å |
| 281 | Q | 91.7 | Very high | 92.8 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 175.8 | -73.7 | 174.4 | -16.8 | 0 | 0 | 111.6 | R105 F109 V277 S278 L279 V283 I284 L285 | R105-Q281 PolarHBondContact O-NE2 3.41Å; F109-Q281 HydrophobicContact CD2-CG 4.26Å; F109-Q281 HydrophobicContact CE2-CG 4.36Å; V277-Q281 HydrophobicContact CG1-CG 4.26Å; V277-Q281 WeakPolarHBondContact O-CB 3.5Å; V277-Q281 VanDerWaalsContact O-CG 3.25Å; V277-Q281 WeakPolarHBondContact O-CG 3.49Å; V277-Q281 PolarHBondContact O-N 3.07Å; S278-Q281 PolarHBondContact O-N 3.41Å; L279-Q281 VanDerWaalsContact C-N 3.35Å; L279-Q281 PolarHBondContact O-N 2.89Å; Q281-V283 PolarHBondContact O-N 3.18Å; Q281-I284 PolarHBondContact O-N 2.93Å; Q281-L285 VanDerWaalsContact O-CB 3.3Å; Q281-L285 WeakPolarHBondContact O-CB 3.32Å; Q281-L285 VanDerWaalsContact O-CG 3.24Å; Q281-L285 WeakPolarHBondContact O-CG 3.49Å; Q281-L285 PolarHBondContact O-N 2.72Å |
| 282 | S | 89.6 | Confident | 92.6 | Very high | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 177.3 | -167.6 | 0 | 0 | 0 | 0 | 111.8 | R116 T232 S278 L279 L280 R286 | R116-S282 PolarHBondContact NH2-OG 3.21Å; T232-S282 PolarHBondContact OG1-OG 3.21Å; S278-S282 WeakPolarHBondContact O-CB 3.44Å; S278-S282 PolarHBondContact O-N 3.16Å; L279-S282 WeakPolarHBondContact O-CB 3.25Å; L279-S282 PolarHBondContact O-N 3.13Å; L279-S282 VanDerWaalsContact O-N 3.14Å; L280-S282 VanDerWaalsContact C-N 3.32Å; L280-S282 PolarHBondContact O-N 3.16Å; S282-R286 PolarHBondContact O-N 2.86Å |
| 283 | V | 91.3 | Very high | 92.4 | Very high | 67 Ų | 67 | 67 Ų | 67 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L279 L280 Q281 R286 | L279-V283 HydrophobicContact CD1-CG2 4.42Å; L279-V283 WeakPolarHBondContact O-CG2 3.24Å; L279-V283 PolarHBondContact O-N 3.24Å; L280-V283 PolarHBondContact O-N 3Å; Q281-V283 PolarHBondContact O-N 3.18Å; V283-R286 WeakPolarHBondContact O-CB 3.36Å; V283-R286 PolarHBondContact O-N 2.98Å |
| 284 | I | 91.9 | Very high | 92.1 | Very high | 73 Ų | 73 | 68.1 Ų | 68.1 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 179.3 | -68.6 | 165.2 | 0 | 0 | 0 | 110.7 | L280 Q281 R286 Q287 V290 | L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 VanDerWaalsContact O-CG1 3.24Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.39Å; Q281-I284 PolarHBondContact O-N 2.93Å; I284-R286 PolarHBondContact O-N 2.92Å; I284-R286 VanDerWaalsContact O-N 3.15Å; I284-Q287 WeakPolarHBondContact O-CB 3.42Å; I284-Q287 PolarHBondContact O-N 3.47Å; I284-V290 HydrophobicContact CG2-CG1 4.27Å; I284-V290 HydrophobicContact CG2-CG2 4.04Å; I284-V290 WeakPolarHBondContact O-CB 3.17Å |
| 285 | L | 89.5 | Confident | 91.9 | Very high | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -7.8 | -179.3 | -67.5 | 171.2 | 0 | 0 | 0 | 113.9 | F109 V113 R116 Q281 V290 R291 L294 L296 | F109-L285 HydrophobicContact CE2-CD1 4.38Å; F109-L285 HydrophobicContact CE2-CD2 4.33Å; F109-L285 HydrophobicContact CE2-CG 4.45Å; F109-L285 HydrophobicContact CZ-CD2 4.02Å; V113-L285 HydrophobicContact CG2-CD2 4.06Å; R116-L285 HydrophobicContact CG-CD1 4.17Å; Q281-L285 VanDerWaalsContact O-CB 3.3Å; Q281-L285 WeakPolarHBondContact O-CB 3.32Å; Q281-L285 VanDerWaalsContact O-CG 3.24Å; Q281-L285 WeakPolarHBondContact O-CG 3.49Å; Q281-L285 PolarHBondContact O-N 2.72Å; L285-V290 HydrophobicContact CD2-CG1 4Å; L285-R291 WeakPolarHBondContact O-CG 3.33Å; L285-R291 PolarHBondContact O-NH1 3.15Å; L285-L294 HydrophobicContact CD2-CD1 3.52Å; L285-L296 HydrophobicContact CD2-CD1 4.24Å |
| 286 | R | 85.7 | Confident | 91.5 | Very high | 151 Ų | 151 | 74.1 Ų | 74.1 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -22.7 | 171.5 | -157.9 | 178.2 | 92.8 | -165.9 | 5.5 | 112.5 | S282 V283 I284 R288 | S282-R286 PolarHBondContact O-N 2.86Å; V283-R286 WeakPolarHBondContact O-CB 3.36Å; V283-R286 PolarHBondContact O-N 2.98Å; I284-R286 PolarHBondContact O-N 2.92Å; I284-R286 VanDerWaalsContact O-N 3.15Å; R286-R288 PolarHBondContact O-N 3.41Å |
| 287 | Q | 89.8 | Confident | 90.9 | Very high | 103 Ų | 103 | 72 Ų | 72 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -63.9 | 132.7 | -178.6 | -64 | -176 | -13.6 | 0 | 0 | 110.6 | I284 L289 V290 R291 | I284-Q287 WeakPolarHBondContact O-CB 3.42Å; I284-Q287 PolarHBondContact O-N 3.47Å; Q287-L289 VanDerWaalsContact C-N 3.25Å; Q287-L289 PolarHBondContact O-N 3.28Å; Q287-V290 HydrophobicContact CB-CB 4.43Å; Q287-V290 HydrophobicContact CB-CG2 4.19Å; Q287-V290 PolarHBondContact O-N 2.97Å; Q287-R291 WeakPolarHBondContact O-CG 3.35Å; Q287-R291 PolarHBondContact O-N 3.37Å |
| 288 | R | 87.6 | Confident | 90.2 | Very high | 225 Ų | 225 | 75.4 Ų | 75.4 | 85% | 0.849 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57 | -40.1 | -175.9 | -65.7 | -177 | -176.3 | 178 | 2.1 | 112.2 | R286 R291 S292 | R286-R288 PolarHBondContact O-N 3.41Å; R288-R291 PolarHBondContact O-N 3.24Å; R288-S292 WeakPolarHBondContact O-CB 3.47Å; R288-S292 PolarHBondContact O-N 3.19Å |
| 289 | L | 92.3 | Very high | 89.4 | Confident | 147 Ų | 147 | 76.8 Ų | 76.8 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.7 | -49.7 | 178.3 | -61.7 | 177.6 | 0 | 0 | 0 | 111.7 | Q287 S292 Y293 | Q287-L289 VanDerWaalsContact C-N 3.25Å; Q287-L289 PolarHBondContact O-N 3.28Å; L289-S292 PolarHBondContact O-N 2.81Å; L289-Y293 WeakPolarHBondContact O-CB 3.48Å; L289-Y293 PolarHBondContact O-N 2.93Å |
| 290 | V | 92.2 | Very high | 88.2 | Confident | 30 Ų | 30 | 84.2 Ų | 84.2 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178.9 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | I284 L285 Q287 S292 Y293 L294 | I284-V290 HydrophobicContact CG2-CG1 4.27Å; I284-V290 HydrophobicContact CG2-CG2 4.04Å; I284-V290 WeakPolarHBondContact O-CB 3.17Å; L285-V290 HydrophobicContact CD2-CG1 4Å; Q287-V290 HydrophobicContact CB-CB 4.43Å; Q287-V290 HydrophobicContact CB-CG2 4.19Å; Q287-V290 PolarHBondContact O-N 2.97Å; V290-S292 VanDerWaalsContact C-N 3.33Å; V290-S292 PolarHBondContact O-N 3.13Å; V290-Y293 PolarHBondContact O-N 3.41Å; V290-L294 HydrophobicContact CG1-CD1 3.73Å; V290-L294 HydrophobicContact CG1-CG 4.33Å; V290-L294 WeakPolarHBondContact O-CB 3.28Å; V290-L294 WeakPolarHBondContact O-CG 3.48Å; V290-L294 PolarHBondContact O-N 3.14Å |
| 291 | R | 89.7 | Confident | 87 | Confident | 53 Ų | 53 | 89 Ų | 89 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.8 | -68.9 | -171.1 | 76.7 | 92.1 | -4.1 | 112.5 | L285 Q287 R288 N295 L296 P297 | L285-R291 WeakPolarHBondContact O-CG 3.33Å; L285-R291 PolarHBondContact O-NH1 3.15Å; Q287-R291 WeakPolarHBondContact O-CG 3.35Å; Q287-R291 PolarHBondContact O-N 3.37Å; R288-R291 PolarHBondContact O-N 3.24Å; R291-N295 PolarHBondContact O-N 3.48Å; R291-N295 VanDerWaalsContact O-N 3.07Å; R291-L296 HydrophobicContact CB-CB 4.31Å; R291-L296 HydrophobicContact CG-CB 4.43Å; R291-L296 HydrophobicContact CG-CD1 4.18Å; R291-L296 PolarHBondContact O-N 3.25Å; R291-P297 PolarHBondContact NH2-O 3.46Å |
| 292 | S | 90.6 | Very high | 85.4 | Confident | 90 Ų | 90 | 90.6 Ų | 90.6 | 63% | 0.629 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.6 | -46.6 | 176.1 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | R288 L289 V290 L294 N295 | R288-S292 WeakPolarHBondContact O-CB 3.47Å; R288-S292 PolarHBondContact O-N 3.19Å; L289-S292 PolarHBondContact O-N 2.81Å; V290-S292 VanDerWaalsContact C-N 3.33Å; V290-S292 PolarHBondContact O-N 3.13Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.3Å; S292-N295 PolarHBondContact O-N 2.81Å; S292-N295 PolarHBondContact O-OD1 3.45Å |
| 293 | Y | 93.6 | Very high | 84.1 | Confident | 195 Ų | 195 | 94.3 Ų | 94.3 | 77% | 0.765 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.6 | -40.6 | 178.3 | -178.3 | -101.2 | 0 | 0 | 0 | 112.5 | L289 V290 N295 | L289-Y293 WeakPolarHBondContact O-CB 3.48Å; L289-Y293 PolarHBondContact O-N 2.93Å; V290-Y293 PolarHBondContact O-N 3.41Å; Y293-N295 VanDerWaalsContact C-N 3.34Å |
| 294 | L | 92 | Very high | 82.6 | Confident | 35 Ų | 35 | 97.2 Ų | 97.2 | 18% | 0.183 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 4.9 | -179.5 | -64 | 177.6 | 0 | 0 | 0 | 114 | V113 R117 L285 V290 S292 L296 | V113-L294 HydrophobicContact CG1-CB 4.37Å; V113-L294 HydrophobicContact CG1-CD1 4.01Å; V113-L294 HydrophobicContact CG1-CD2 4.47Å; V113-L294 HydrophobicContact CG2-CD1 3.9Å; R117-L294 PolarHBondContact NH2-O 3.21Å; L285-L294 HydrophobicContact CD2-CD1 3.52Å; V290-L294 HydrophobicContact CG1-CD1 3.73Å; V290-L294 HydrophobicContact CG1-CG 4.33Å; V290-L294 WeakPolarHBondContact O-CB 3.28Å; V290-L294 WeakPolarHBondContact O-CG 3.48Å; V290-L294 PolarHBondContact O-N 3.14Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.3Å; L294-L296 VanDerWaalsContact C-N 3.26Å; L294-L296 HydrophobicContact CB-CD1 4.33Å; L294-L296 HydrophobicContact CB-CG 3.99Å; L294-L296 PolarHBondContact O-N 2.94Å |
| 295 | N | 90.9 | Very high | 81 | Confident | 126 Ų | 126 | 98 Ų | 98 | 67% | 0.674 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 48.4 | -176.7 | -62.6 | -57.9 | 0 | 0 | 0 | 112.4 | R291 S292 Y293 | R291-N295 PolarHBondContact O-N 3.48Å; R291-N295 VanDerWaalsContact O-N 3.07Å; S292-N295 PolarHBondContact O-N 2.81Å; S292-N295 PolarHBondContact O-OD1 3.45Å; Y293-N295 VanDerWaalsContact C-N 3.34Å |
| 296 | L | 87.3 | Confident | 79.3 | Confident | 15 Ų | 15 | 105.2 Ų | 105.2 | 8% | 0.079 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 126.8 | 178.8 | -70.1 | 175.9 | 0 | 0 | 0 | 109.8 | V113 R117 L285 R291 L294 S298 | V113-L296 HydrophobicContact CG1-CD2 4.18Å; R117-L296 HydrophobicContact CB-CD2 3.96Å; L285-L296 HydrophobicContact CD2-CD1 4.24Å; R291-L296 HydrophobicContact CB-CB 4.31Å; R291-L296 HydrophobicContact CG-CB 4.43Å; R291-L296 HydrophobicContact CG-CD1 4.18Å; R291-L296 PolarHBondContact O-N 3.25Å; L294-L296 VanDerWaalsContact C-N 3.26Å; L294-L296 HydrophobicContact CB-CD1 4.33Å; L294-L296 HydrophobicContact CB-CG 3.99Å; L294-L296 PolarHBondContact O-N 2.94Å; L296-S298 PolarHBondContact O-N 2.9Å |
| 297 | P | 84.6 | Confident | 77.9 | Confident | 36 Ų | 36 | 103.7 Ų | 103.7 | 23% | 0.234 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 141.5 | -177.4 | 20.7 | -28.1 | 0 | 0 | 0 | 110.4 | R117 A120 E121 R291 V299 | R117-P297 HydrophobicContact CG-CG 4.12Å; A120-P297 HydrophobicContact CB-CG 3.88Å; E121-P297 HydrophobicContact CG-CG 3.97Å; R291-P297 PolarHBondContact NH2-O 3.46Å; P297-V299 PolarHBondContact O-N 3.13Å |
| 298 | S | 80.8 | Confident | 76.3 | Confident | 87 Ų | 87 | 106.4 Ų | 106.4 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 130.6 | 175.4 | 59.4 | 0 | 0 | 0 | 0 | 109.5 | N124 L296 R300 | N124-S298 PolarHBondContact ND2-O 3.36Å; N124-S298 PolarHBondContact OD1-O 2.88Å; L296-S298 PolarHBondContact O-N 2.9Å; S298-R300 PolarHBondContact O-N 2.83Å |
| 299 | V | 76.7 | Confident | 74.7 | Confident | 41 Ų | 41 | 105.8 Ų | 105.8 | 25% | 0.248 | 54% | 0.537 | C | S | . | . | trans | -72.5 | 113 | 167.1 | -177.8 | 0 | 0 | 0 | 0 | 107 | A120 T123 N124 E235 P297 | A120-V299 HydrophobicContact CB-CG2 3.89Å; T123-V299 HydrophobicContact CG2-CG1 3.66Å; N124-V299 WeakPolarHBondContact OD1-CA 3.48Å; E235-V299 HydrophobicContact CG-CG2 4.33Å; P297-V299 PolarHBondContact O-N 3.13Å | ||
| 300 | R | 71.1 | Confident | 73.3 | Confident | 177 Ų | 177 | 105.4 Ų | 105.4 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 136.3 | 177.1 | -66.1 | -178.2 | -177.1 | -175 | 1.5 | 108 | N124 S298 | N124-R300 PolarHBondContact OD1-N 2.94Å; S298-R300 PolarHBondContact O-N 2.83Å |
| 301 | K | 67.6 | Low | 72.3 | Confident | 193 Ų | 193 | 106.2 Ų | 106.2 | 84% | 0.839 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 133.4 | 169 | -72.7 | -177.3 | -179.2 | 179.1 | 0 | 107.5 | ||
| 302 | P | 59.5 | Low | 71.4 | Confident | 45 Ų | 45 | 111.6 Ų | 111.6 | 29% | 0.292 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 138.7 | 178.1 | 28.1 | -36.6 | 0 | 0 | 0 | 109.4 | Q240 | Q240-P302 HydrophobicContact CG-CB 3.5Å; Q240-P302 VanDerWaalsContact NE2-CA 3.34Å |
| 303 | P | 62.3 | Low | 70.9 | Confident | 86 Ų | 86 | 113.9 Ų | 113.9 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 144.9 | 161 | 21.4 | -33.6 | 0 | 0 | 0 | 109.1 | V305 | P303-V305 PolarHBondContact O-N 3.26Š|
| 304 | P | 59.1 | Low | 70.3 | Confident | 128 Ų | 128 | 107 Ų | 107 | 83% | 0.831 | 55% | 0.553 | S | S | * | * | trans | -62.2 | 99.3 | 177.7 | 26 | -32.5 | 0 | 0 | 0 | 108.5 | I306 | P304-I306 PolarHBondContact O-N 2.94Š| ||
| 305 | V | 58 | Low | 69.6 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | trans | -72.5 | 124.3 | 166.6 | -178.2 | 0 | 0 | 0 | 0 | 105.2 | P303 E307 | P303-V305 PolarHBondContact O-N 3.26Å; V305-E307 HydrophobicContact CG1-CG 4.33Å; V305-E307 PolarHBondContact O-N 3.36Å | ||
| 306 | I | 54.5 | Low | 69.1 | Low | 159 Ų | 159 | 106.6 Ų | 106.6 | 82% | 0.815 | 55% | 0.552 | S | S | * | * | trans | -68.3 | 78.8 | 167.6 | -56.2 | 170 | 0 | 0 | 0 | 105.8 | P304 K308 | P304-I306 PolarHBondContact O-N 2.94Å; I306-K308 VanDerWaalsContact C-N 3.34Å; I306-K308 PolarHBondContact O-N 3.46Å | ||
| 307 | E | 55.8 | Low | 69 | Low | 119 Ų | 119 | 112.2 Ų | 112.2 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | trans | -62.8 | 101.8 | 168.8 | -73.4 | -172.2 | 176.2 | 0 | 0 | 106.1 | V305 K309 | V305-E307 HydrophobicContact CG1-CG 4.33Å; V305-E307 PolarHBondContact O-N 3.36Å; E307-K309 VanDerWaalsContact C-N 3.35Å; E307-K309 PolarHBondContact O-N 3.08Å | ||
| 308 | K | 56.3 | Low | 69 | Low | 159 Ų | 159 | 113.6 Ų | 113.6 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | trans | -56.5 | 111.4 | 156.9 | -75.4 | -175.2 | 178.4 | -178.3 | 0 | 104.2 | I306 R310 | I306-K308 VanDerWaalsContact C-N 3.34Å; I306-K308 PolarHBondContact O-N 3.46Å; K308-R310 HydrophobicContact CB-CG 4.2Å; K308-R310 PolarHBondContact O-N 3.42Å | ||
| 309 | K | 54 | Low | 69 | Low | 212 Ų | 212 | 113 Ų | 113 | 92% | 0.922 | 58% | 0.575 | S | S | * | * | trans | -58.9 | 76.1 | 172.6 | -75.7 | -176 | 177.1 | -178.8 | 0 | 108.6 | E307 G311 | E307-K309 VanDerWaalsContact C-N 3.35Å; E307-K309 PolarHBondContact O-N 3.08Å; K309-G311 PolarHBondContact O-N 2.72Å | ||
| 310 | R | 62.3 | Low | 69.4 | Low | 139 Ų | 139 | 114.7 Ų | 114.7 | 53% | 0.525 | 58% | 0.582 | S | S | . | * | trans | -79.9 | 117.8 | 173 | -69.7 | -178.4 | 179.4 | 170.3 | -1.3 | 105 | K308 E318 | K308-R310 HydrophobicContact CB-CG 4.2Å; K308-R310 PolarHBondContact O-N 3.42Å; R310-E318 IonicContact CZ-OE1 2.8Å; R310-E318 IonicContact CZ-OE2 3.61Å; R310-E318 IonicContact NE-OE2 2.74Å; R310-E318 IonicContact NH1-OE1 3.65Å; R310-E318 PolarHBondContact NH1-OE1 3.48Å; R310-E318 IonicContact NH1-OE2 3.92Å; R310-E318 PolarHBondContact NH1-OE2 2.9Å; R310-E318 IonicContact NH2-OE1 3.45Å | ||
| 311 | G | 71.6 | Confident | 70.2 | Confident | 47 Ų | 47 | 109.6 Ų | 109.6 | 49% | 0.485 | 57% | 0.568 | S | S | . | * | trans | -56.1 | 151.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K309 I313 A314 G315 | K309-G311 PolarHBondContact O-N 2.72Å; G311-I313 PolarHBondContact O-N 3.13Å; G311-I313 VanDerWaalsContact O-N 3.13Å; G311-A314 WeakPolarHBondContact O-CA 3.49Å; G311-A314 WeakPolarHBondContact O-CB 3.29Å; G311-A314 PolarHBondContact O-N 3.03Å; G311-G315 PolarHBondContact O-N 3.34Å | ||
| 312 | F | 71.8 | Confident | 71 | Confident | 167 Ų | 167 | 102.4 Ų | 102.4 | 73% | 0.732 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -49.1 | -42.6 | -178.4 | 177.7 | -97 | 0 | 0 | 0 | 112.8 | A314 G315 F316 | F312-A314 PolarHBondContact O-N 3.19Å; F312-G315 PolarHBondContact O-N 3.01Å; F312-F316 WeakPolarHBondContact O-CB 3.25Å; F312-F316 PolarHBondContact O-N 3.48Å |
| 313 | I | 78.8 | Confident | 72.2 | Confident | 138 Ų | 138 | 103.7 Ų | 103.7 | 71% | 0.708 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -41.1 | 178.2 | -58 | 172.8 | 0 | 0 | 0 | 111.6 | G311 F316 K317 | G311-I313 PolarHBondContact O-N 3.13Å; G311-I313 VanDerWaalsContact O-N 3.13Å; I313-F316 PolarHBondContact O-N 3.36Å; I313-K317 WeakPolarHBondContact O-CB 3.34Å; I313-K317 PolarHBondContact O-N 3.36Å |
| 314 | A | 80.7 | Confident | 73.6 | Confident | 51 Ų | 51 | 107.9 Ų | 107.9 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | G311 F312 F316 K317 E318 | G311-A314 WeakPolarHBondContact O-CA 3.49Å; G311-A314 WeakPolarHBondContact O-CB 3.29Å; G311-A314 PolarHBondContact O-N 3.03Å; F312-A314 PolarHBondContact O-N 3.19Å; A314-F316 PolarHBondContact O-N 3.3Å; A314-K317 PolarHBondContact O-N 2.9Å; A314-E318 VanDerWaalsContact O-CB 3.31Å; A314-E318 WeakPolarHBondContact O-CB 3.24Å; A314-E318 PolarHBondContact O-N 3.17Å |
| 315 | G | 78.8 | Confident | 74.9 | Confident | 31 Ų | 31 | 106.3 Ų | 106.3 | 32% | 0.32 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G311 F312 E318 S319 | G311-G315 PolarHBondContact O-N 3.34Å; F312-G315 PolarHBondContact O-N 3.01Å; G315-E318 PolarHBondContact O-N 3.47Å; G315-S319 WeakPolarHBondContact O-CB 3.29Å; G315-S319 PolarHBondContact O-N 2.84Å |
| 316 | F | 80.7 | Confident | 76.2 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 175.9 | -175.6 | -103.5 | 0 | 0 | 0 | 112.1 | F312 I313 A314 E318 S319 L320 | F312-F316 WeakPolarHBondContact O-CB 3.25Å; F312-F316 PolarHBondContact O-N 3.48Å; I313-F316 PolarHBondContact O-N 3.36Å; A314-F316 PolarHBondContact O-N 3.3Å; F316-E318 VanDerWaalsContact C-N 3.33Å; F316-E318 PolarHBondContact O-N 2.92Å; F316-S319 WeakPolarHBondContact O-CB 3.4Å; F316-S319 PolarHBondContact O-N 2.81Å; F316-L320 HydrophobicContact CD1-CD1 3.9Å; F316-L320 HydrophobicContact CD1-CG 4.39Å; F316-L320 HydrophobicContact CE1-CD1 3.35Å; F316-L320 HydrophobicContact CE1-CG 4.02Å; F316-L320 HydrophobicContact CZ-CD1 3.83Å; F316-L320 HydrophobicContact CZ-CD2 4.37Å; F316-L320 HydrophobicContact CZ-CG 4.13Å; F316-L320 PolarHBondContact O-N 2.85Å |
| 317 | K | 84.9 | Confident | 77.9 | Confident | 134 Ų | 134 | 99.7 Ų | 99.7 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 176.4 | -173.4 | 177.7 | -179.5 | 179.6 | 0 | 111.7 | I313 A314 L320 N321 | I313-K317 WeakPolarHBondContact O-CB 3.34Å; I313-K317 PolarHBondContact O-N 3.36Å; A314-K317 PolarHBondContact O-N 2.9Å; K317-L320 PolarHBondContact O-N 3.5Å; K317-N321 WeakPolarHBondContact O-CB 3.39Å; K317-N321 PolarHBondContact O-N 3.14Å |
| 318 | E | 83.1 | Confident | 79.5 | Confident | 65 Ų | 65 | 98.1 Ų | 98.1 | 30% | 0.304 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 174.1 | -176.2 | 177 | -173.6 | 0 | 0 | 111.5 | R310 A314 G315 F316 L320 N321 N322 | R310-E318 IonicContact CZ-OE1 2.8Å; R310-E318 IonicContact CZ-OE2 3.61Å; R310-E318 IonicContact NE-OE2 2.74Å; R310-E318 IonicContact NH1-OE1 3.65Å; R310-E318 PolarHBondContact NH1-OE1 3.48Å; R310-E318 IonicContact NH1-OE2 3.92Å; R310-E318 PolarHBondContact NH1-OE2 2.9Å; R310-E318 IonicContact NH2-OE1 3.45Å; A314-E318 VanDerWaalsContact O-CB 3.31Å; A314-E318 WeakPolarHBondContact O-CB 3.24Å; A314-E318 PolarHBondContact O-N 3.17Å; G315-E318 PolarHBondContact O-N 3.47Å; F316-E318 VanDerWaalsContact C-N 3.33Å; F316-E318 PolarHBondContact O-N 2.92Å; E318-L320 VanDerWaalsContact C-N 3.34Å; E318-L320 PolarHBondContact O-N 3.38Å; E318-N321 PolarHBondContact O-N 3.1Å; E318-N322 VanDerWaalsContact O-CB 3.27Å; E318-N322 WeakPolarHBondContact O-CB 3.44Å; E318-N322 PolarHBondContact O-N 3.44Å; E318-N322 PolarHBondContact O-ND2 3.35Å |
| 319 | S | 81.2 | Confident | 81 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175.3 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | G315 F316 S323 | G315-S319 WeakPolarHBondContact O-CB 3.29Å; G315-S319 PolarHBondContact O-N 2.84Å; F316-S319 WeakPolarHBondContact O-CB 3.4Å; F316-S319 PolarHBondContact O-N 2.81Å; S319-S323 VanDerWaalsContact O-CB 3.31Å; S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 3.39Å |
| 320 | L | 85.1 | Confident | 82.6 | Confident | 76 Ų | 76 | 86.2 Ų | 86.2 | 40% | 0.398 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 175.6 | -74.6 | 179.9 | 0 | 0 | 0 | 111.8 | F316 K317 E318 S323 R324 | F316-L320 HydrophobicContact CD1-CD1 3.9Å; F316-L320 HydrophobicContact CD1-CG 4.39Å; F316-L320 HydrophobicContact CE1-CD1 3.35Å; F316-L320 HydrophobicContact CE1-CG 4.02Å; F316-L320 HydrophobicContact CZ-CD1 3.83Å; F316-L320 HydrophobicContact CZ-CD2 4.37Å; F316-L320 HydrophobicContact CZ-CG 4.13Å; F316-L320 PolarHBondContact O-N 2.85Å; K317-L320 PolarHBondContact O-N 3.5Å; E318-L320 VanDerWaalsContact C-N 3.34Å; E318-L320 PolarHBondContact O-N 3.38Å; L320-S323 PolarHBondContact O-N 3.45Å; L320-R324 WeakPolarHBondContact O-CG 3.38Å; L320-R324 PolarHBondContact O-N 3.46Å |
| 321 | N | 88.5 | Confident | 84 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 176.8 | -74 | -11 | 0 | 0 | 0 | 111.4 | K317 E318 S323 R324 L325 | K317-N321 WeakPolarHBondContact O-CB 3.39Å; K317-N321 PolarHBondContact O-N 3.14Å; E318-N321 PolarHBondContact O-N 3.1Å; N321-S323 VanDerWaalsContact C-N 3.32Å; N321-S323 PolarHBondContact O-N 3.46Å; N321-R324 PolarHBondContact O-N 3.13Å; N321-L325 WeakPolarHBondContact O-CG 3.36Å; N321-L325 PolarHBondContact O-N 2.82Å |
| 322 | N | 84.4 | Confident | 84.8 | Confident | 42 Ų | 42 | 86 Ų | 86 | 23% | 0.225 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 175.1 | -70.3 | -12.9 | 0 | 0 | 0 | 110.8 | E318 R324 L325 L326 | E318-N322 VanDerWaalsContact O-CB 3.27Å; E318-N322 WeakPolarHBondContact O-CB 3.44Å; E318-N322 PolarHBondContact O-N 3.44Å; E318-N322 PolarHBondContact O-ND2 3.35Å; N322-R324 PolarHBondContact O-N 3.44Å; N322-L325 PolarHBondContact O-N 3.29Å; N322-L326 WeakPolarHBondContact O-CB 3.25Å; N322-L326 WeakPolarHBondContact O-CG 3.22Å; N322-L326 PolarHBondContact O-N 3.35Å |
| 323 | S | 85.5 | Confident | 85.6 | Confident | 73 Ų | 73 | 83.9 Ų | 83.9 | 51% | 0.51 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | S319 L320 N321 A327 | S319-S323 VanDerWaalsContact O-CB 3.31Å; S319-S323 WeakPolarHBondContact O-CB 3.36Å; S319-S323 PolarHBondContact O-N 3.39Å; L320-S323 PolarHBondContact O-N 3.45Å; N321-S323 VanDerWaalsContact C-N 3.32Å; N321-S323 PolarHBondContact O-N 3.46Å; S323-A327 WeakPolarHBondContact O-CB 3.45Å; S323-A327 PolarHBondContact O-N 3.13Å |
| 324 | R | 89.7 | Confident | 86.2 | Confident | 174 Ų | 174 | 84.4 Ų | 84.4 | 66% | 0.657 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.8 | -44.2 | 175.4 | -75.2 | 176.6 | 179.5 | 166.2 | -1.7 | 111.6 | L320 N321 N322 L326 A327 E328 | L320-R324 WeakPolarHBondContact O-CG 3.38Å; L320-R324 PolarHBondContact O-N 3.46Å; N321-R324 PolarHBondContact O-N 3.13Å; N322-R324 PolarHBondContact O-N 3.44Å; R324-L326 VanDerWaalsContact C-N 3.34Å; R324-L326 PolarHBondContact O-N 3.45Å; R324-A327 PolarHBondContact O-N 3.5Å; R324-E328 WeakPolarHBondContact O-CB 3.24Å; R324-E328 PolarHBondContact O-N 3.25Å |
| 325 | L | 87.3 | Confident | 86.8 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 49% | 0.492 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.1 | -73 | 171.4 | 0 | 0 | 0 | 111.4 | L141 N321 N322 E328 L329 | L141-L325 HydrophobicContact CD2-CB 3.88Å; L141-L325 HydrophobicContact CD2-CD1 4.19Å; N321-L325 WeakPolarHBondContact O-CG 3.36Å; N321-L325 PolarHBondContact O-N 2.82Å; N322-L325 PolarHBondContact O-N 3.29Å; L325-E328 PolarHBondContact O-N 2.97Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.34Å; L325-L329 PolarHBondContact O-N 3.46Å |
| 326 | L | 86.2 | Confident | 87.4 | Confident | 51 Ų | 51 | 90.8 Ų | 90.8 | 27% | 0.267 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.2 | -71.8 | 177 | 0 | 0 | 0 | 112.6 | R140 L141 N322 R324 E328 L329 D330 | R140-L326 HydrophobicContact CB-CD2 4.15Å; R140-L326 HydrophobicContact CG-CD2 3.42Å; R140-L326 VanDerWaalsContact CG-CD2 3.42Å; L141-L326 HydrophobicContact CD2-CD2 4.16Å; L141-L326 HydrophobicContact CD2-CG 4.28Å; N322-L326 WeakPolarHBondContact O-CB 3.25Å; N322-L326 WeakPolarHBondContact O-CG 3.22Å; N322-L326 PolarHBondContact O-N 3.35Å; R324-L326 VanDerWaalsContact C-N 3.34Å; R324-L326 PolarHBondContact O-N 3.45Å; L326-E328 VanDerWaalsContact C-N 3.31Å; L326-L329 HydrophobicContact CD2-CD1 4.44Å; L326-L329 PolarHBondContact O-N 3.44Å; L326-D330 WeakPolarHBondContact O-CB 3.04Å; L326-D330 PolarHBondContact O-N 3.35Å |
| 327 | A | 88.9 | Confident | 87.9 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | S323 R324 S331 | S323-A327 WeakPolarHBondContact O-CB 3.45Å; S323-A327 PolarHBondContact O-N 3.13Å; R324-A327 PolarHBondContact O-N 3.5Å; A327-S331 VanDerWaalsContact O-CB 3.32Å; A327-S331 WeakPolarHBondContact O-CB 3.41Å; A327-S331 PolarHBondContact O-N 2.77Å |
| 328 | E | 89.6 | Confident | 88.2 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 40% | 0.402 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 174.3 | 178.8 | 62 | -168.9 | 0 | 0 | 112.2 | R324 L325 L326 S331 R332 | R324-E328 WeakPolarHBondContact O-CB 3.24Å; R324-E328 PolarHBondContact O-N 3.25Å; L325-E328 PolarHBondContact O-N 2.97Å; L326-E328 VanDerWaalsContact C-N 3.31Å; E328-S331 WeakPolarHBondContact CA-OG 3.46Å; E328-S331 PolarHBondContact O-OG 3Å; E328-S331 PolarHBondContact OE2-OG 3.4Å; E328-R332 VanDerWaalsContact O-CG 3.23Å; E328-R332 WeakPolarHBondContact O-CG 3.46Å; E328-R332 PolarHBondContact O-N 3.36Å; E328-R332 VanDerWaalsContact O-N 3.07Å; E328-R332 IonicContact OE1-CZ 3.4Å; E328-R332 VanDerWaalsContact OE1-CZ 3.3Å; E328-R332 IonicContact OE1-NE 3.76Å; E328-R332 PolarHBondContact OE1-NE 2.79Å; E328-R332 IonicContact OE1-NH2 2.68Å; E328-R332 PolarHBondContact OE1-NH2 3.29Å |
| 329 | L | 87.4 | Confident | 88.6 | Confident | 56 Ų | 56 | 87.2 Ų | 87.2 | 29% | 0.293 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 174.3 | -71.4 | 170.2 | 0 | 0 | 0 | 111.6 | R140 L325 L326 S331 R332 E333 | R140-L329 VanDerWaalsContact O-CD1 3.3Å; R140-L329 WeakPolarHBondContact O-CD1 3.36Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.34Å; L325-L329 PolarHBondContact O-N 3.46Å; L326-L329 HydrophobicContact CD2-CD1 4.44Å; L326-L329 PolarHBondContact O-N 3.44Å; L329-S331 VanDerWaalsContact C-N 3.35Å; L329-R332 PolarHBondContact O-N 2.95Å; L329-E333 WeakPolarHBondContact O-CB 3.43Å; L329-E333 PolarHBondContact O-N 2.89Å |
| 330 | D | 87.8 | Confident | 88.9 | Confident | 64 Ų | 64 | 93.5 Ų | 93.5 | 34% | 0.342 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66 | -35.8 | 175.9 | -177.1 | 32.9 | 0 | 0 | 0 | 111.6 | L326 E333 R334 | L326-D330 WeakPolarHBondContact O-CB 3.04Å; L326-D330 PolarHBondContact O-N 3.35Å; D330-E333 PolarHBondContact O-N 3.36Å; D330-R334 WeakPolarHBondContact O-CB 3.17Å; D330-R334 WeakPolarHBondContact O-CG 3.4Å; D330-R334 PolarHBondContact O-N 3.44Å; D330-R334 IonicContact OD1-CZ 2.87Å; D330-R334 IonicContact OD1-NE 3.23Å; D330-R334 PolarHBondContact OD1-NE 3.31Å; D330-R334 IonicContact OD1-NH2 2.77Å; D330-R334 IonicContact OD2-CZ 2.85Å; D330-R334 IonicContact OD2-NE 2.9Å; D330-R334 PolarHBondContact OD2-NE 2.99Å; D330-R334 IonicContact OD2-NH2 3.17Å; D330-R334 PolarHBondContact OD2-NH2 2.9Å |
| 331 | S | 91.7 | Very high | 89.2 | Confident | 43 Ų | 43 | 95.8 Ų | 95.8 | 30% | 0.301 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 175 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | A327 E328 L329 R334 I335 | A327-S331 VanDerWaalsContact O-CB 3.32Å; A327-S331 WeakPolarHBondContact O-CB 3.41Å; A327-S331 PolarHBondContact O-N 2.77Å; E328-S331 WeakPolarHBondContact CA-OG 3.46Å; E328-S331 PolarHBondContact O-OG 3Å; E328-S331 PolarHBondContact OE2-OG 3.4Å; L329-S331 VanDerWaalsContact C-N 3.35Å; S331-R334 PolarHBondContact O-N 3.09Å; S331-I335 VanDerWaalsContact O-CG1 3.28Å; S331-I335 WeakPolarHBondContact O-CG1 3.29Å; S331-I335 PolarHBondContact O-N 3.28Å |
| 332 | R | 89.8 | Confident | 89.2 | Confident | 138 Ų | 138 | 99.2 Ų | 99.2 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 175.2 | -72 | 171.8 | -173.8 | -166.4 | 0.4 | 111.7 | E328 L329 R334 I335 D336 | E328-R332 VanDerWaalsContact O-CG 3.23Å; E328-R332 WeakPolarHBondContact O-CG 3.46Å; E328-R332 PolarHBondContact O-N 3.36Å; E328-R332 VanDerWaalsContact O-N 3.07Å; E328-R332 IonicContact OE1-CZ 3.4Å; E328-R332 VanDerWaalsContact OE1-CZ 3.3Å; E328-R332 IonicContact OE1-NE 3.76Å; E328-R332 PolarHBondContact OE1-NE 2.79Å; E328-R332 IonicContact OE1-NH2 2.68Å; E328-R332 PolarHBondContact OE1-NH2 3.29Å; L329-R332 PolarHBondContact O-N 2.95Å; R332-R334 VanDerWaalsContact C-N 3.28Å; R332-R334 PolarHBondContact O-N 3.32Å; R332-I335 PolarHBondContact O-N 3.3Å; R332-D336 PolarHBondContact O-N 2.8Å |
| 333 | E | 87.6 | Confident | 89.3 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.7 | -41.6 | 177.1 | -172.4 | 177.3 | 177.5 | 0 | 0 | 111.5 | L329 D330 D336 A337 | L329-E333 WeakPolarHBondContact O-CB 3.43Å; L329-E333 PolarHBondContact O-N 2.89Å; D330-E333 PolarHBondContact O-N 3.36Å; E333-D336 PolarHBondContact O-N 2.61Å; E333-A337 VanDerWaalsContact O-CB 3.28Å; E333-A337 WeakPolarHBondContact O-CB 3.37Å; E333-A337 PolarHBondContact O-N 3.06Å |
| 334 | R | 91.3 | Very high | 89.3 | Confident | 149 Ų | 149 | 100.2 Ų | 100.2 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.5 | -37.6 | 175.1 | -71.2 | 172.2 | -168 | -165.5 | 3.2 | 113.2 | D330 S331 R332 K338 | D330-R334 WeakPolarHBondContact O-CB 3.17Å; D330-R334 WeakPolarHBondContact O-CG 3.4Å; D330-R334 PolarHBondContact O-N 3.44Å; D330-R334 IonicContact OD1-CZ 2.87Å; D330-R334 IonicContact OD1-NE 3.23Å; D330-R334 PolarHBondContact OD1-NE 3.31Å; D330-R334 IonicContact OD1-NH2 2.77Å; D330-R334 IonicContact OD2-CZ 2.85Å; D330-R334 IonicContact OD2-NE 2.9Å; D330-R334 PolarHBondContact OD2-NE 2.99Å; D330-R334 IonicContact OD2-NH2 3.17Å; D330-R334 PolarHBondContact OD2-NH2 2.9Å; S331-R334 PolarHBondContact O-N 3.09Å; R332-R334 VanDerWaalsContact C-N 3.28Å; R332-R334 PolarHBondContact O-N 3.32Å; R334-K338 WeakPolarHBondContact O-CB 3.44Å; R334-K338 VanDerWaalsContact O-CG 3.25Å; R334-K338 WeakPolarHBondContact O-CG 3.34Å; R334-K338 PolarHBondContact O-N 3.07Å |
| 335 | I | 93 | Very high | 88.9 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 55% | 0.554 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 176.5 | -70.9 | 165.1 | 0 | 0 | 0 | 109.6 | S331 R332 K338 A339 | S331-I335 VanDerWaalsContact O-CG1 3.28Å; S331-I335 WeakPolarHBondContact O-CG1 3.29Å; S331-I335 PolarHBondContact O-N 3.28Å; R332-I335 PolarHBondContact O-N 3.3Å; I335-K338 PolarHBondContact O-N 3.27Å; I335-A339 WeakPolarHBondContact O-CB 3.5Å; I335-A339 PolarHBondContact O-N 3.01Å |
| 336 | D | 91.6 | Very high | 88.6 | Confident | 109 Ų | 109 | 102 Ų | 102 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 178.5 | -69.6 | -16.5 | 0 | 0 | 0 | 111.3 | R332 E333 K338 A339 W340 | R332-D336 PolarHBondContact O-N 2.8Å; E333-D336 PolarHBondContact O-N 2.61Å; D336-K338 VanDerWaalsContact C-N 3.34Å; D336-K338 PolarHBondContact O-N 3.39Å; D336-A339 PolarHBondContact O-N 3.22Å; D336-W340 VanDerWaalsContact O-CB 3.29Å; D336-W340 WeakPolarHBondContact O-CB 3.4Å; D336-W340 PolarHBondContact O-N 3.15Å |
| 337 | A | 90.7 | Very high | 88.3 | Confident | 58 Ų | 58 | 106 Ų | 106 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | E333 Q341 | E333-A337 VanDerWaalsContact O-CB 3.28Å; E333-A337 WeakPolarHBondContact O-CB 3.37Å; E333-A337 PolarHBondContact O-N 3.06Å; A337-Q341 WeakPolarHBondContact O-CB 3.17Å; A337-Q341 PolarHBondContact O-N 2.94Å |
| 338 | K | 92.4 | Very high | 87.9 | Confident | 133 Ų | 133 | 108.6 Ų | 108.6 | 58% | 0.578 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.5 | -39.1 | 174.7 | -75.8 | 175.6 | -178.4 | -179.4 | 0 | 112.1 | R334 I335 D336 K342 | R334-K338 WeakPolarHBondContact O-CB 3.44Å; R334-K338 VanDerWaalsContact O-CG 3.25Å; R334-K338 WeakPolarHBondContact O-CG 3.34Å; R334-K338 PolarHBondContact O-N 3.07Å; I335-K338 PolarHBondContact O-N 3.27Å; D336-K338 VanDerWaalsContact C-N 3.34Å; D336-K338 PolarHBondContact O-N 3.39Å; K338-K342 WeakPolarHBondContact O-CB 3.31Å; K338-K342 VanDerWaalsContact O-CG 3.26Å; K338-K342 WeakPolarHBondContact O-CG 3.26Å; K338-K342 PolarHBondContact O-N 3.42Å |
| 339 | A | 91.3 | Very high | 87.5 | Confident | 52 Ų | 52 | 109.6 Ų | 109.6 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.1 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I335 D336 K342 S343 | I335-A339 WeakPolarHBondContact O-CB 3.5Å; I335-A339 PolarHBondContact O-N 3.01Å; D336-A339 PolarHBondContact O-N 3.22Å; A339-K342 PolarHBondContact O-N 3.5Å; A339-S343 PolarHBondContact O-N 2.68Å; A339-S343 PolarHBondContact O-OG 3.42Å |
| 340 | W | 87.1 | Confident | 87.2 | Confident | 207 Ų | 207 | 113.2 Ų | 113.2 | 78% | 0.784 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.2 | -48 | 174.4 | -177.4 | -95 | 0 | 0 | 0 | 112.2 | D336 K342 S343 G344 | D336-W340 VanDerWaalsContact O-CB 3.29Å; D336-W340 WeakPolarHBondContact O-CB 3.4Å; D336-W340 PolarHBondContact O-N 3.15Å; W340-K342 VanDerWaalsContact C-N 3.33Å; W340-K342 PolarHBondContact O-N 3.3Å; W340-S343 WeakPolarHBondContact CA-OG 3.48Å; W340-S343 PolarHBondContact O-N 3.46Å; W340-S343 PolarHBondContact O-OG 2.95Å; W340-G344 PolarHBondContact O-N 3.01Å |
| 341 | Q | 90.7 | Very high | 87.1 | Confident | 123 Ų | 123 | 115.9 Ų | 115.9 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.1 | -43.5 | 176.4 | -170.8 | 178.5 | 2.1 | 0 | 0 | 111.2 | A337 G344 H345 | A337-Q341 WeakPolarHBondContact O-CB 3.17Å; A337-Q341 PolarHBondContact O-N 2.94Å; Q341-G344 PolarHBondContact O-N 3.27Å; Q341-H345 PolarHBondContact O-CD2 3.19Å; Q341-H345 PolarHBondContact O-N 3.27Å |
| 342 | K | 90.2 | Very high | 86.8 | Confident | 142 Ų | 142 | 120.9 Ų | 120.9 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.2 | -39.3 | 175.9 | -76.6 | 177.3 | 179.8 | -175.4 | 0 | 112.6 | K338 A339 W340 G344 H345 K346 | K338-K342 WeakPolarHBondContact O-CB 3.31Å; K338-K342 VanDerWaalsContact O-CG 3.26Å; K338-K342 WeakPolarHBondContact O-CG 3.26Å; K338-K342 PolarHBondContact O-N 3.42Å; A339-K342 PolarHBondContact O-N 3.5Å; W340-K342 VanDerWaalsContact C-N 3.33Å; W340-K342 PolarHBondContact O-N 3.3Å; K342-G344 VanDerWaalsContact C-N 3.33Å; K342-H345 PolarHBondContact O-N 2.62Å; K342-K346 WeakPolarHBondContact O-CG 3.39Å; K342-K346 PolarHBondContact O-N 3.16Å |
| 343 | S | 85.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 123.2 Ų | 123.2 | 47% | 0.469 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.6 | -32.9 | 177.2 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | A339 W340 H345 K346 | A339-S343 PolarHBondContact O-N 2.68Å; A339-S343 PolarHBondContact O-OG 3.42Å; W340-S343 WeakPolarHBondContact CA-OG 3.48Å; W340-S343 PolarHBondContact O-N 3.46Å; W340-S343 PolarHBondContact O-OG 2.95Å; S343-H345 PolarHBondContact O-N 3.32Å; S343-K346 PolarHBondContact O-N 2.77Å |
| 344 | G | 85 | Confident | 85.9 | Confident | 69 Ų | 69 | 121.6 Ų | 121.6 | 71% | 0.711 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.8 | -21.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W340 Q341 K342 | W340-G344 PolarHBondContact O-N 3.01Å; Q341-G344 PolarHBondContact O-N 3.27Å; K342-G344 VanDerWaalsContact C-N 3.33Å |
| 345 | H | 81.3 | Confident | 85.4 | Confident | 154 Ų | 154 | 118 Ų | 118 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -95.9 | -9.3 | 177 | -70.2 | -62.4 | 0 | 0 | 0 | 114.3 | Q341 K342 S343 | Q341-H345 PolarHBondContact O-CD2 3.19Å; Q341-H345 PolarHBondContact O-N 3.27Å; K342-H345 PolarHBondContact O-N 2.62Å; S343-H345 PolarHBondContact O-N 3.32Å |
| 346 | K | 82.3 | Confident | 84.4 | Confident | 152 Ų | 152 | 117.1 Ų | 117.1 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -84 | 142.2 | 178.1 | -74.5 | 177.1 | -178.5 | -173.7 | 0 | 110.2 | K342 S343 | K342-K346 WeakPolarHBondContact O-CG 3.39Å; K342-K346 PolarHBondContact O-N 3.16Å; S343-K346 PolarHBondContact O-N 2.77Å |
| 347 | T | 79.9 | Confident | 83.7 | Confident | 135 Ų | 135 | 117.9 Ų | 117.9 | 83% | 0.828 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.1 | 171.3 | -29.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 348 | P | 79.4 | Confident | 82.6 | Confident | 112 Ų | 112 | 122.8 Ų | 122.8 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.7 | -179.8 | -25 | 33.2 | 0 | 0 | 0 | 111.3 | ||
| 349 | P | 81.8 | Confident | 81 | Confident | 107 Ų | 107 | 124.1 Ų | 124.1 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 146.9 | 174.3 | 28.9 | -33.5 | 0 | 0 | 0 | 110.3 | T351 | P349-T351 PolarHBondContact O-N 2.99Š|
| 350 | V | 81.5 | Confident | 79.2 | Confident | 132 Ų | 132 | 127.2 Ų | 127.2 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 118.9 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 351 | T | 85 | Confident | 77.5 | Confident | 120 Ų | 120 | 123.2 Ų | 123.2 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | trans | -111.6 | 138.9 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | P349 | P349-T351 PolarHBondContact O-N 2.99Š| ||
| 352 | F | 85 | Confident | 75.4 | Confident | 149 Ų | 149 | 124.4 Ų | 124.4 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | trans | -94.3 | 145.4 | 176.1 | -60 | -83.2 | 0 | 0 | 0 | 111.1 | S354 P356 | F352-S354 WeakPolarHBondContact CB-O 3.4Å; F352-P356 HydrophobicContact CD2-CG 4.02Å; F352-P356 HydrophobicContact CG-CG 4.48Å | ||
| 353 | I | 80.4 | Confident | 73.5 | Confident | 187 Ų | 187 | 125.4 Ų | 125.4 | 96% | 0.959 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -69.5 | -36.7 | 179.8 | -65.7 | 170.9 | 0 | 0 | 0 | 111.4 | ||
| 354 | S | 78.8 | Confident | 71.5 | Confident | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -106.8 | 146.7 | 174.5 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | F352 P356 | F352-S354 WeakPolarHBondContact CB-O 3.4Å; S354-P356 WeakPolarHBondContact O-CD 3.41Å |
| 355 | D | 80.2 | Confident | 69.3 | Low | 73 Ų | 73 | 136.1 Ų | 136.1 | 39% | 0.39 | 74% | 0.743 | S | S | . | * | trans | -57 | 105.6 | 171.3 | -177.6 | -9.3 | 0 | 0 | 0 | 109.7 | T357 K358 | D355-T357 PolarHBondContact O-N 3.13Å; D355-T357 VanDerWaalsContact O-N 3.11Å; D355-T357 WeakPolarHBondContact OD1-CB 3.26Å; D355-T357 PolarHBondContact OD1-N 3.25Å; D355-T357 PolarHBondContact OD1-OG1 2.79Å; D355-K358 HydrophobicContact CB-CB 4.31Å; D355-K358 HydrophobicContact CB-CD 4.44Å; D355-K358 HydrophobicContact CB-CG 4.4Å; D355-K358 PolarHBondContact O-N 2.77Å; D355-K358 WeakPolarHBondContact OD2-CD 3.41Å; D355-K358 WeakPolarHBondContact OD2-CE 3.28Å; D355-K358 WeakPolarHBondContact OD2-CG 2.95Å | ||
| 356 | P | 73.1 | Confident | 67.6 | Low | 89 Ų | 89 | 134 Ų | 134 | 58% | 0.578 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -13.7 | -175.8 | 29.9 | -34.5 | 0 | 0 | 0 | 112 | F352 S354 | F352-P356 HydrophobicContact CD2-CG 4.02Å; F352-P356 HydrophobicContact CG-CG 4.48Å; S354-P356 WeakPolarHBondContact O-CD 3.41Å |
| 357 | T | 77 | Confident | 65.6 | Low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -11.5 | 175.4 | 25.1 | 0 | 0 | 0 | 0 | 113.7 | D355 | D355-T357 PolarHBondContact O-N 3.13Å; D355-T357 VanDerWaalsContact O-N 3.11Å; D355-T357 WeakPolarHBondContact OD1-CB 3.26Å; D355-T357 PolarHBondContact OD1-N 3.25Å; D355-T357 PolarHBondContact OD1-OG1 2.79Å |
| 358 | K | 66.3 | Low | 63.8 | Low | 160 Ų | 160 | 135 Ų | 135 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -105.1 | 80.5 | 173.6 | -68.6 | -177.3 | -173.5 | -179.5 | 0 | 110.4 | D355 T360 | D355-K358 HydrophobicContact CB-CB 4.31Å; D355-K358 HydrophobicContact CB-CD 4.44Å; D355-K358 HydrophobicContact CB-CG 4.4Å; D355-K358 PolarHBondContact O-N 2.77Å; D355-K358 WeakPolarHBondContact OD2-CD 3.41Å; D355-K358 WeakPolarHBondContact OD2-CE 3.28Å; D355-K358 WeakPolarHBondContact OD2-CG 2.95Å; K358-T360 PolarHBondContact O-N 2.65Å |
| 359 | L | 60.2 | Low | 61.8 | Low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -58.5 | 125.8 | 165.5 | -81.4 | 158.1 | 0 | 0 | 0 | 109.2 | S361 | L359-S361 PolarHBondContact O-N 2.9Š| ||
| 360 | T | 53 | Low | 59.8 | Low | 116 Ų | 116 | 138.4 Ų | 138.4 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | -50 | 109.7 | 176.3 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | K358 N362 | K358-T360 PolarHBondContact O-N 2.65Å; T360-N362 PolarHBondContact O-N 3.33Å | ||
| 361 | S | 51 | Low | 57.6 | Low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 30.7 | 178.5 | 62.9 | 0 | 0 | 0 | 0 | 114 | L359 | L359-S361 PolarHBondContact O-N 2.9Š|
| 362 | N | 47.6 | Very low | 55.6 | Low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 14.9 | -173.4 | -110.3 | 5.2 | 0 | 0 | 0 | 115.2 | T360 | T360-N362 PolarHBondContact O-N 3.33Š|
| 363 | H | 49.2 | Very low | 53.6 | Low | 162 Ų | 162 | 140 Ų | 140 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -138.3 | 87.8 | 171.1 | -97.6 | -77.5 | 0 | 0 | 0 | 109.9 | ||
| 364 | Q | 43.2 | Very low | 51.6 | Low | 190 Ų | 190 | 137.8 Ų | 137.8 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | 175.5 | 79.3 | 150.5 | -97 | 151.6 | 2.2 | 0 | 0 | 110.5 | ||||
| 365 | N | 40.1 | Very low | 49.7 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | trans | -119.9 | 54 | 158.9 | -108.5 | -7.5 | 0 | 0 | 0 | 107.9 | ||||
| 366 | V | 45.1 | Very low | 47.9 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -150.4 | 125.4 | 166.3 | -164.5 | 0 | 0 | 0 | 0 | 106.8 | ||
| 367 | F | 40.6 | Very low | 46.3 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | 99.4 | 120.6 | 175.8 | -64.6 | -79.8 | 0 | 0 | 0 | 117.9 | ||||
| 368 | P | 40.9 | Very low | 44.4 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 165.5 | -176 | 35.9 | -31.6 | 0 | 0 | 0 | 112.2 | ||
| 369 | P | 37.4 | Very low | 43.3 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 133.2 | -160.5 | 33.7 | -31.5 | 0 | 0 | 0 | 111.8 | ||
| 370 | D | 39.7 | Very low | 42.2 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 138.3 | 161.7 | -154.9 | 1.4 | 0 | 0 | 0 | 110.6 | ||
| 371 | K | 37 | Very low | 41.5 | Very low | 181 Ų | 181 | 151.6 Ų | 151.6 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.3 | -170.8 | -65.1 | 166.2 | 177.3 | 172.5 | 0 | 109.1 | ||
| 372 | T | 42.4 | Very low | 40.9 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 164.9 | 131.1 | 124.1 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 373 | T | 43.4 | Very low | 40.8 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | 62.1 | 98.4 | 144.2 | 50.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 374 | N | 36.7 | Very low | 40.4 | Very low | 139 Ų | 139 | 155.3 Ų | 155.3 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | 71.7 | 136.3 | 107.7 | -140.9 | 13.3 | 0 | 0 | 0 | 121.4 | |||||
| 375 | N | 40.1 | Very low | 40.4 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | 81.9 | 115.5 | 160.6 | -62.5 | -21.7 | 0 | 0 | 0 | 119.5 | ||||
| 376 | G | 41 | Very low | 40.8 | Very low | 68 Ų | 68 | 153.2 Ų | 153.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | 154.2 | 75.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 377 | Y | 40.7 | Very low | 40.7 | Very low | 228 Ų | 228 | 153.6 Ų | 153.6 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | 34.4 | 105.5 | 146.8 | -57.9 | -83.6 | 0 | 0 | 0 | 120.2 | ||||
| 378 | Q | 36.4 | Very low | 40.8 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -89 | 124.8 | 155 | -79.1 | -162.5 | -7 | 0 | 0 | 110.5 | ||||
| 379 | V | 44.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 155.7 Ų | 155.7 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -102.3 | 111.8 | 168.6 | 179 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 380 | Q | 36.3 | Very low | 41.7 | Very low | 179 Ų | 179 | 165 Ų | 165 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -84.1 | 118.7 | 174.4 | -121.7 | 164.9 | 11.5 | 0 | 0 | 109 | E382 | Q380-E382 PolarHBondContact O-N 3.28Š| ||
| 381 | L | 39.3 | Very low | 41.8 | Very low | 166 Ų | 166 | 165.2 Ų | 165.2 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -85.5 | 100.7 | 170 | -84.4 | 160.9 | 0 | 0 | 0 | 109.2 | I383 | L381-I383 PolarHBondContact O-N 3.1Š| ||
| 382 | E | 38.2 | Very low | 42.1 | Very low | 171 Ų | 171 | 164.4 Ų | 164.4 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -81.4 | 104.2 | 173.1 | -164.6 | -176.5 | 159 | 0 | 0 | 109.6 | Q380 K384 | Q380-E382 PolarHBondContact O-N 3.28Å; E382-K384 PolarHBondContact O-N 3.07Å | ||
| 383 | I | 43.9 | Very low | 42.1 | Very low | 153 Ų | 153 | 166.4 Ų | 166.4 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -80.7 | 99.1 | 171.6 | -61.2 | 175.8 | 0 | 0 | 0 | 108 | L381 Q385 | L381-I383 PolarHBondContact O-N 3.1Å; I383-Q385 PolarHBondContact O-N 2.99Å | ||
| 384 | K | 42.4 | Very low | 42 | Very low | 187 Ų | 187 | 168.7 Ų | 168.7 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -79.1 | 101.2 | 175.5 | -153.9 | 175.3 | -169 | 174.5 | 0 | 110 | E382 | E382-K384 PolarHBondContact O-N 3.07Š| ||
| 385 | Q | 43 | Very low | 42.3 | Very low | 179 Ų | 179 | 170.6 Ų | 170.6 | 84% | 0.836 | 84% | 0.839 | S | S | * | * | trans | -79.9 | 124 | 166.4 | -77.1 | -174 | -21.6 | 0 | 0 | 110 | I383 | I383-Q385 PolarHBondContact O-N 2.99Š| ||
| 386 | N | 48.6 | Very low | 42.5 | Very low | 139 Ų | 139 | 172.4 Ų | 172.4 | 74% | 0.743 | 84% | 0.844 | S | S | * | * | trans | -92 | 121.5 | 175.7 | -178.3 | 14.9 | 0 | 0 | 0 | 110 | ||||
| 387 | P | 41.8 | Very low | 42.6 | Very low | 118 Ų | 118 | 179.9 Ų | 179.9 | 77% | 0.766 | 85% | 0.854 | S | S | * | * | trans | -99.5 | 86.8 | 178.1 | 35.6 | -26.5 | 0 | 0 | 0 | 110.5 | ||||
| 388 | K | 44.2 | Very low | 42.7 | Very low | 177 Ų | 177 | 176.2 Ų | 176.2 | 77% | 0.77 | 85% | 0.851 | S | S | * | * | trans | -149.3 | 85 | 159.9 | -79.2 | -165.9 | 179.3 | 179.6 | 0 | 108.8 | ||||
| 389 | D | 49.9 | Very low | 43.2 | Very low | 174 Ų | 174 | 174.9 Ų | 174.9 | 93% | 0.93 | 85% | 0.847 | S | S | * | * | trans | -178 | 94.1 | 149.9 | -89.5 | -21.5 | 0 | 0 | 0 | 107.6 | ||||
| 390 | R | 47.2 | Very low | 43.1 | Very low | 325 Ų | 325 | 178.9 Ų | 178.9 | 100% | 1.226 | 85% | 0.852 | S | S | * | * | trans | -132.3 | 0 | 162.2 | -131.4 | -166.3 | -150.8 | -158.9 | 7.4 | 108.2 |
Retrieved 390 of 390 residues in 112.4 ms
(Link to these results)