| 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 | 51.3 | Low | 65.9 | Low | 220 Ų | 220 | 126.5 Ų | 126.5 | 100% | 1.084 | 61% | 0.61 | S | S | * | * | 0 | 145 | 0 | -74.7 | 73.8 | 174 | 0 | 0 | 107.5 | D5 | M1-D5 VanDerWaalsContact CA-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.38Å; M1-D5 HydrophobicContact CB-CB 4.37Å; M1-D5 WeakPolarHBondContact CB-OD2 3.41Å; M1-D5 WeakPolarHBondContact CG-OD2 3.39Å | |||
| 2 | S | 58.5 | Low | 66.2 | Low | 75 Ų | 75 | 121.7 Ų | 121.7 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | trans | -104.2 | 160.8 | 177 | 41.7 | 0 | 0 | 0 | 0 | 109.6 | F4 D5 | S2-F4 PolarHBondContact O-N 3.16Å; S2-D5 PolarHBondContact N-OD2 3.06Å; S2-D5 VanDerWaalsContact N-OD2 3.16Å; S2-D5 WeakPolarHBondContact O-CB 3.17Å; S2-D5 PolarHBondContact O-N 2.9Å | ||
| 3 | D | 60.7 | Low | 66.3 | Low | 139 Ų | 139 | 122 Ų | 122 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58 | -18.7 | -174.4 | -44.2 | -73.1 | 0 | 0 | 0 | 113.5 | E6 F7 | D3-E6 PolarHBondContact O-N 3.29Å; D3-F7 PolarHBondContact O-N 2.91Å; D3-F7 VanDerWaalsContact O-N 3.1Å |
| 4 | F | 64 | Low | 66.2 | Low | 132 Ų | 132 | 121.8 Ų | 121.8 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.3 | -40.4 | 171.5 | -167.1 | -90.3 | 0 | 0 | 0 | 113.2 | S2 E6 F7 E8 | S2-F4 PolarHBondContact O-N 3.16Å; F4-E6 PolarHBondContact O-N 3.1Å; F4-F7 PolarHBondContact O-N 3.29Å; F4-E8 HydrophobicContact CD1-CG 4.3Å; F4-E8 HydrophobicContact CE1-CG 3.84Å; F4-E8 HydrophobicContact CZ-CG 4.29Å; F4-E8 PolarHBondContact O-N 3.35Å |
| 5 | D | 68.6 | Low | 66.2 | Low | 82 Ų | 82 | 124.6 Ų | 124.6 | 44% | 0.439 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.8 | -36.3 | 176.9 | -69.9 | -56.4 | 0 | 0 | 0 | 111.2 | M1 S2 R9 | M1-D5 VanDerWaalsContact CA-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.38Å; M1-D5 HydrophobicContact CB-CB 4.37Å; M1-D5 WeakPolarHBondContact CB-OD2 3.41Å; M1-D5 WeakPolarHBondContact CG-OD2 3.39Å; S2-D5 PolarHBondContact N-OD2 3.06Å; S2-D5 VanDerWaalsContact N-OD2 3.16Å; S2-D5 WeakPolarHBondContact O-CB 3.17Å; S2-D5 PolarHBondContact O-N 2.9Å; D5-R9 WeakPolarHBondContact O-CB 3.29Å; D5-R9 PolarHBondContact O-N 3.31Å |
| 6 | E | 69.8 | Low | 65.7 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 58% | 0.575 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.9 | -34.8 | -179.6 | -169.4 | 162.3 | -168.8 | 0 | 0 | 111.9 | D3 F4 R9 Q10 | D3-E6 PolarHBondContact O-N 3.29Å; F4-E6 PolarHBondContact O-N 3.1Å; E6-R9 PolarHBondContact O-N 3.38Å; E6-Q10 WeakPolarHBondContact O-CG 3.47Å; E6-Q10 PolarHBondContact O-N 3.09Å |
| 7 | F | 72.1 | Confident | 65.3 | Low | 126 Ų | 126 | 119.1 Ų | 119.1 | 55% | 0.553 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.9 | -45.2 | 175.2 | -172.2 | -107.1 | 0 | 0 | 0 | 112.9 | D3 F4 R9 Q10 L11 | D3-F7 PolarHBondContact O-N 2.91Å; D3-F7 VanDerWaalsContact O-N 3.1Å; F4-F7 PolarHBondContact O-N 3.29Å; F7-R9 VanDerWaalsContact C-N 3.26Å; F7-R9 PolarHBondContact O-N 3Å; F7-Q10 PolarHBondContact O-N 2.67Å; F7-L11 HydrophobicContact CD1-CD1 3.84Å; F7-L11 HydrophobicContact CE1-CD1 3.5Å; F7-L11 VanDerWaalsContact CE1-CD1 3.5Å; F7-L11 HydrophobicContact CE1-CG 4.47Å; F7-L11 HydrophobicContact CZ-CD1 4.02Å; F7-L11 PolarHBondContact O-N 3.39Å |
| 8 | E | 73.2 | Confident | 64.8 | Low | 117 Ų | 117 | 120.4 Ų | 120.4 | 55% | 0.547 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.3 | -35.6 | 173.4 | -72.9 | -153.6 | 127.9 | 0 | 0 | 111.8 | F4 L11 S12 | F4-E8 HydrophobicContact CD1-CG 4.3Å; F4-E8 HydrophobicContact CE1-CG 3.84Å; F4-E8 HydrophobicContact CZ-CG 4.29Å; F4-E8 PolarHBondContact O-N 3.35Å; E8-L11 PolarHBondContact O-N 3.34Å; E8-S12 PolarHBondContact O-N 2.96Å |
| 9 | R | 71.6 | Confident | 64.3 | Low | 171 Ų | 171 | 120.8 Ų | 120.8 | 65% | 0.645 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -47.3 | 177.2 | -166.9 | 172.7 | -177.7 | 173.7 | -0 | 112.2 | D5 E6 F7 L11 S12 E13 | D5-R9 WeakPolarHBondContact O-CB 3.29Å; D5-R9 PolarHBondContact O-N 3.31Å; E6-R9 PolarHBondContact O-N 3.38Å; F7-R9 VanDerWaalsContact C-N 3.26Å; F7-R9 PolarHBondContact O-N 3Å; R9-L11 VanDerWaalsContact C-N 3.31Å; R9-L11 PolarHBondContact O-N 3.41Å; R9-S12 WeakPolarHBondContact O-CB 3.49Å; R9-S12 PolarHBondContact O-N 3.06Å; R9-S12 VanDerWaalsContact O-N 3.07Å; R9-S12 PolarHBondContact O-OG 3.31Å; R9-E13 PolarHBondContact O-N 3.5Å; R9-E13 VanDerWaalsContact O-N 3.09Å |
| 10 | Q | 68.3 | Low | 63.9 | Low | 108 Ų | 108 | 119.6 Ų | 119.6 | 51% | 0.505 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.2 | -35.4 | 175.4 | -70.9 | -176.4 | 12.4 | 0 | 0 | 112.8 | E6 F7 S12 N14 | E6-Q10 WeakPolarHBondContact O-CG 3.47Å; E6-Q10 PolarHBondContact O-N 3.09Å; F7-Q10 PolarHBondContact O-N 2.67Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-N14 PolarHBondContact O-N 3.39Å; Q10-N14 PolarHBondContact O-ND2 3.17Å |
| 11 | L | 67.3 | Low | 63.6 | Low | 98 Ų | 98 | 121 Ų | 121 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.8 | -37.1 | 171.6 | -84.5 | 166 | 0 | 0 | 0 | 112.2 | F7 E8 R9 K15 | F7-L11 HydrophobicContact CD1-CD1 3.84Å; F7-L11 HydrophobicContact CE1-CD1 3.5Å; F7-L11 VanDerWaalsContact CE1-CD1 3.5Å; F7-L11 HydrophobicContact CE1-CG 4.47Å; F7-L11 HydrophobicContact CZ-CD1 4.02Å; F7-L11 PolarHBondContact O-N 3.39Å; E8-L11 PolarHBondContact O-N 3.34Å; R9-L11 VanDerWaalsContact C-N 3.31Å; R9-L11 PolarHBondContact O-N 3.41Å; L11-K15 WeakPolarHBondContact O-CB 3.38Å; L11-K15 PolarHBondContact O-N 3.38Å |
| 12 | S | 68.6 | Low | 63.5 | Low | 69 Ų | 69 | 117.9 Ų | 117.9 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.1 | -42.6 | 177.5 | 79.8 | 0 | 0 | 0 | 0 | 112.9 | E8 R9 Q10 K15 Q16 | E8-S12 PolarHBondContact O-N 2.96Å; R9-S12 WeakPolarHBondContact O-CB 3.49Å; R9-S12 PolarHBondContact O-N 3.06Å; R9-S12 VanDerWaalsContact O-N 3.07Å; R9-S12 PolarHBondContact O-OG 3.31Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; S12-K15 PolarHBondContact O-N 3.42Å; S12-Q16 PolarHBondContact O-N 3.07Å; S12-Q16 VanDerWaalsContact O-N 3.17Å |
| 13 | E | 68.3 | Low | 62.9 | Low | 126 Ų | 126 | 120.6 Ų | 120.6 | 59% | 0.589 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.9 | -44.7 | -179.5 | -74 | -175.6 | 127.3 | 0 | 0 | 112.2 | R9 K15 Q16 A17 | R9-E13 PolarHBondContact O-N 3.5Å; R9-E13 VanDerWaalsContact O-N 3.09Å; E13-K15 VanDerWaalsContact C-N 3.28Å; E13-K15 PolarHBondContact O-N 3.28Å; E13-Q16 PolarHBondContact O-N 3.25Å; E13-A17 PolarHBondContact O-N 3.31Å |
| 14 | N | 65.3 | Low | 62.3 | Low | 119 Ų | 119 | 124.5 Ų | 124.5 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.3 | -39 | 175.6 | -89.8 | -45.7 | 0 | 0 | 0 | 112.3 | Q10 Q16 A17 E18 | Q10-N14 PolarHBondContact O-N 3.39Å; Q10-N14 PolarHBondContact O-ND2 3.17Å; N14-Q16 VanDerWaalsContact C-N 3.3Å; N14-Q16 PolarHBondContact O-N 2.99Å; N14-A17 PolarHBondContact O-N 3.21Å; N14-E18 PolarHBondContact O-N 3.2Å |
| 15 | K | 66 | Low | 61.5 | Low | 164 Ų | 164 | 126 Ų | 126 | 71% | 0.713 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.3 | -23.7 | -179.3 | -152.4 | 168.3 | -166.3 | 170.2 | 0 | 113.2 | L11 S12 E13 | L11-K15 WeakPolarHBondContact O-CB 3.38Å; L11-K15 PolarHBondContact O-N 3.38Å; S12-K15 PolarHBondContact O-N 3.42Å; E13-K15 VanDerWaalsContact C-N 3.28Å; E13-K15 PolarHBondContact O-N 3.28Å |
| 16 | Q | 57.6 | Low | 60.4 | Low | 110 Ų | 110 | 130.5 Ų | 130.5 | 51% | 0.514 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -77.6 | -40.2 | 169.7 | -165.5 | 66.8 | 14.1 | 0 | 0 | 111.2 | S12 E13 N14 E18 K19 D20 | S12-Q16 PolarHBondContact O-N 3.07Å; S12-Q16 VanDerWaalsContact O-N 3.17Å; E13-Q16 PolarHBondContact O-N 3.25Å; N14-Q16 VanDerWaalsContact C-N 3.3Å; N14-Q16 PolarHBondContact O-N 2.99Å; Q16-E18 VanDerWaalsContact C-N 3.29Å; Q16-E18 PolarHBondContact O-N 3.44Å; Q16-K19 PolarHBondContact O-N 3.18Å; Q16-D20 PolarHBondContact O-N 3.33Å |
| 17 | A | 58.6 | Low | 59 | Low | 45 Ų | 45 | 136 Ų | 136 | 37% | 0.372 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.8 | -22 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | E13 N14 | E13-A17 PolarHBondContact O-N 3.31Å; N14-A17 PolarHBondContact O-N 3.21Å |
| 18 | E | 56.3 | Low | 57.3 | Low | 143 Ų | 143 | 142 Ų | 142 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.9 | -44.1 | 169.7 | -72 | -150.6 | 118 | 0 | 0 | 113 | N14 Q16 D20 K21 E22 | N14-E18 PolarHBondContact O-N 3.2Å; Q16-E18 VanDerWaalsContact C-N 3.29Å; Q16-E18 PolarHBondContact O-N 3.44Å; E18-D20 PolarHBondContact O-N 3.48Å; E18-K21 WeakPolarHBondContact O-CB 3.41Å; E18-K21 PolarHBondContact O-N 3.09Å; E18-E22 PolarHBondContact O-N 3.25Å |
| 19 | K | 55.5 | Low | 55.7 | Low | 128 Ų | 128 | 142.1 Ų | 142.1 | 56% | 0.557 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60 | -33.9 | -178.8 | -78.4 | -177 | 170.6 | -179.3 | 0 | 113.2 | Q16 K21 N23 | Q16-K19 PolarHBondContact O-N 3.18Å; K19-K21 VanDerWaalsContact C-N 3.29Å; K19-K21 PolarHBondContact O-N 3.24Å; K19-N23 PolarHBondContact O-N 3.3Å |
| 20 | D | 56.8 | Low | 54.6 | Low | 97 Ų | 97 | 139.1 Ų | 139.1 | 52% | 0.519 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -76.5 | -13.9 | 177.5 | -74.3 | -14.7 | 0 | 0 | 0 | 113.7 | Q16 E18 | Q16-D20 PolarHBondContact O-N 3.33Å; E18-D20 PolarHBondContact O-N 3.48Å |
| 21 | K | 56.6 | Low | 53 | Low | 148 Ų | 148 | 139 Ų | 139 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -82.3 | -46.7 | 169.3 | -68.1 | 171.9 | -176.2 | 169.4 | 0 | 111.1 | E18 K19 N23 R24 | E18-K21 WeakPolarHBondContact O-CB 3.41Å; E18-K21 PolarHBondContact O-N 3.09Å; K19-K21 VanDerWaalsContact C-N 3.29Å; K19-K21 PolarHBondContact O-N 3.24Å; K21-N23 VanDerWaalsContact C-N 3.34Å; K21-N23 PolarHBondContact O-N 2.99Å; K21-R24 PolarHBondContact O-N 2.89Å |
| 22 | E | 49.5 | Very low | 51.4 | Low | 156 Ų | 156 | 146.3 Ų | 146.3 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -58.5 | -44.4 | -178.5 | -168.3 | 174.3 | -153.9 | 0 | 0 | 111.8 | E18 R24 H25 | E18-E22 PolarHBondContact O-N 3.25Å; E22-R24 PolarHBondContact O-N 3.39Å; E22-H25 PolarHBondContact O-N 3.11Å |
| 23 | N | 46.2 | Very low | 49.9 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -62.2 | -14.2 | 179.8 | -100.7 | -51 | 0 | 0 | 0 | 115.6 | K19 K21 | K19-N23 PolarHBondContact O-N 3.3Å; K21-N23 VanDerWaalsContact C-N 3.34Å; K21-N23 PolarHBondContact O-N 2.99Å |
| 24 | R | 49.1 | Very low | 48.1 | Very low | 220 Ų | 220 | 153.3 Ų | 153.3 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -76.4 | -21 | 179.7 | -72.3 | -172.4 | 179.3 | -162.9 | -0.4 | 114 | K21 E22 H26 | K21-R24 PolarHBondContact O-N 2.89Å; E22-R24 PolarHBondContact O-N 3.39Å; R24-H26 PolarHBondContact O-N 3.04Å |
| 25 | H | 46.7 | Very low | 46.7 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -91.6 | 13.6 | -168.3 | -79.3 | -87.4 | 0 | 0 | 0 | 115.6 | E22 | E22-H25 PolarHBondContact O-N 3.11Š|
| 26 | H | 44.3 | Very low | 45.1 | Very low | 178 Ų | 178 | 154.6 Ų | 154.6 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -127.3 | 19 | -170.9 | -101.3 | 37.9 | 0 | 0 | 0 | 117 | R24 | R24-H26 PolarHBondContact O-N 3.04Š|
| 27 | R | 41.3 | Very low | 43.9 | Very low | 238 Ų | 238 | 155 Ų | 155 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | trans | -142.5 | 86.8 | 174.4 | -65.7 | -170.6 | -178.5 | -166.5 | 0.6 | 114.8 | ||||
| 28 | R | 35.5 | Very low | 42.7 | Very low | 252 Ų | 252 | 162.2 Ų | 162.2 | 95% | 0.951 | 75% | 0.747 | S | S | * | * | trans | -162.8 | 99.3 | 144.5 | -112.4 | 163.8 | -169.7 | -170.8 | 2.5 | 115.4 | ||||
| 29 | S | 41.2 | Very low | 41.6 | Very low | 119 Ų | 119 | 164 Ų | 164 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -156.2 | 164.1 | 155.2 | -85.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 30 | P | 47 | Very low | 40.8 | Very low | 108 Ų | 108 | 169.3 Ų | 169.3 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -137.9 | -176.9 | 14.7 | 42.6 | -25.4 | 0 | 0 | 0 | 116.1 | ||||
| 31 | S | 34.7 | Very low | 39.6 | Very low | 106 Ų | 106 | 176.7 Ų | 176.7 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 77 | 130.9 | 143.3 | 77.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 32 | R | 33.5 | Very low | 38.7 | Very low | 251 Ų | 251 | 175 Ų | 175 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | -157.1 | 152.1 | 121 | -111.2 | 171.3 | -175.8 | 176.3 | 1.9 | 110.6 | |||||
| 33 | S | 37.1 | Very low | 38 | Very low | 106 Ų | 106 | 178.7 Ų | 178.7 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -130.8 | 167.2 | -174.6 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 34 | R | 32.1 | Very low | 37.6 | Very low | 237 Ų | 237 | 179.4 Ų | 179.4 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | 111.1 | 148 | 175.1 | -67 | 160.5 | -179 | -179.2 | 0 | 113.3 | ||||
| 35 | S | 34.8 | Very low | 37.1 | Very low | 86 Ų | 86 | 178.3 Ų | 178.3 | 60% | 0.601 | 81% | 0.808 | S | S | * | * | cis | 170.5 | 160.3 | -26.9 | 54.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 36 | R | 32.8 | Very low | 36.6 | Very low | 223 Ų | 223 | 175.8 Ų | 175.8 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | 78.1 | 157.6 | 164.6 | -64.4 | -178.2 | 179.9 | 146.1 | -0.8 | 117.5 | ||||
| 37 | E | 33.2 | Very low | 36.2 | Very low | 120 Ų | 120 | 177.1 Ų | 177.1 | 56% | 0.561 | 80% | 0.798 | S | S | * | * | cis | -176 | 132.1 | -24.3 | -179.8 | 178.5 | 142.6 | 0 | 0 | 113.4 | ||||
| 38 | R | 31.7 | Very low | 35.8 | Very low | 195 Ų | 195 | 177.8 Ų | 177.8 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | 67 | 152.1 | 152.6 | -77.7 | 173.6 | -178.3 | 155.9 | -8.4 | 123.7 | ||||
| 39 | K | 34.6 | Very low | 35.8 | Very low | 180 Ų | 180 | 170.5 Ų | 170.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 74.5 | 117.7 | 155.4 | -71.8 | 154 | -177.5 | 174.6 | 0 | 116 | ||||
| 40 | R | 38.3 | Very low | 35.6 | Very low | 240 Ų | 240 | 176.6 Ų | 176.6 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | 57.6 | 109.6 | 56.5 | -68.8 | -168.5 | 175.5 | -175.6 | -0.3 | 114.6 | |||||
| 41 | R | 32.7 | Very low | 35.1 | Very low | 253 Ų | 253 | 177.8 Ų | 177.8 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | trans | -160.7 | 124.7 | 137.1 | -113.9 | 166.5 | -176.7 | 164.8 | -0.1 | 111.6 | ||||
| 42 | S | 37.6 | Very low | 35.2 | Very low | 111 Ų | 111 | 183.3 Ų | 183.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -81.7 | 158.8 | 167.3 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 43 | R | 34.6 | Very low | 35.3 | Very low | 235 Ų | 235 | 182.7 Ų | 182.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -156.5 | 86.4 | 163.7 | -150.1 | 175.1 | -155 | 175.9 | 6.2 | 114.1 | ||||
| 44 | D | 38.1 | Very low | 35 | Very low | 147 Ų | 147 | 181.2 Ų | 181.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -57.1 | 145.3 | 156.8 | -80 | -77.2 | 0 | 0 | 0 | 111.7 | ||||
| 45 | K | 37.6 | Very low | 35.2 | Very low | 196 Ų | 196 | 177.5 Ų | 177.5 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | -155.1 | 68.8 | 154.1 | -123.3 | -178.6 | -177.4 | -167.3 | 0 | 114.7 | ||||
| 46 | D | 36.2 | Very low | 35.2 | Very low | 110 Ų | 110 | 178 Ų | 178 | 59% | 0.588 | 80% | 0.798 | S | S | * | * | trans | -16.4 | 152.8 | 148.8 | -173.2 | 20.9 | 0 | 0 | 0 | 118 | ||||
| 47 | R | 34.8 | Very low | 35.3 | Very low | 206 Ų | 206 | 176.4 Ų | 176.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | 81.5 | 119.4 | 164.3 | -44.1 | -174 | -171.4 | 168.7 | 8.9 | 120.4 | ||||
| 48 | R | 33 | Very low | 35.4 | Very low | 253 Ų | 253 | 177.4 Ų | 177.4 | 96% | 0.955 | 80% | 0.803 | S | S | * | * | -160 | 139.6 | 91.7 | -102.7 | 169.9 | -178 | -174.3 | -0.2 | 113.4 | |||||
| 49 | S | 35.4 | Very low | 35.5 | Very low | 99 Ų | 99 | 178.2 Ų | 178.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -88 | 157.7 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 50 | R | 37.1 | Very low | 35.5 | Very low | 247 Ų | 247 | 180.9 Ų | 180.9 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -149.4 | 125.3 | 147 | -129.8 | 176.2 | -168.6 | 173 | 3.9 | 111.6 | ||||
| 51 | D | 37.6 | Very low | 36 | Very low | 133 Ų | 133 | 174.5 Ų | 174.5 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -80.1 | 163 | -173.2 | -37.7 | -99.2 | 0 | 0 | 0 | 113.7 | ||||
| 52 | R | 35.7 | Very low | 36 | Very low | 221 Ų | 221 | 173.6 Ų | 173.6 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | 177 | 121.7 | 116.4 | -94 | 153.8 | -175.4 | -157 | -0.1 | 114.3 | |||||
| 53 | R | 35.7 | Very low | 35.7 | Very low | 238 Ų | 238 | 179.1 Ų | 179.1 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | 62.6 | 135.6 | 146.6 | -56.1 | 173.8 | 179.4 | -177.4 | -4 | 115.8 | ||||
| 54 | G | 32.1 | Very low | 35.5 | Very low | 76 Ų | 76 | 173.1 Ų | 173.1 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | cis | 102.2 | 135.1 | 45.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 55 | D | 35.3 | Very low | 35.1 | Very low | 159 Ų | 159 | 171.6 Ų | 171.6 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | cis | -137.4 | -148.8 | 16.6 | -158.1 | -94.3 | 0 | 0 | 0 | 112.5 | ||||
| 56 | S | 34.9 | Very low | 35.6 | Very low | 95 Ų | 95 | 168 Ų | 168 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -128.5 | 178.3 | -156.6 | -54.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 57 | K | 35.3 | Very low | 35.5 | Very low | 191 Ų | 191 | 167.2 Ų | 167.2 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 85.4 | 104.3 | 158 | -69.4 | -178.9 | 175.7 | 175.5 | 0 | 120.9 | ||||
| 58 | E | 36.2 | Very low | 35.5 | Very low | 141 Ų | 141 | 165.8 Ų | 165.8 | 66% | 0.659 | 80% | 0.798 | S | S | * | * | 52.6 | 133.6 | 111.1 | -84.4 | -155.2 | 118.4 | 0 | 0 | 123.9 | |||||
| 59 | R | 33.7 | Very low | 35.5 | Very low | 212 Ų | 212 | 162.4 Ų | 162.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 87.3 | 127.8 | 143.8 | -70.3 | 172.5 | -162 | -159.8 | 8.5 | 121.2 | ||||
| 60 | R | 34.7 | Very low | 35.4 | Very low | 235 Ų | 235 | 166.5 Ų | 166.5 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -71.6 | 174.5 | 161.7 | -65.6 | 175.2 | 169.8 | 179.3 | -4 | 109.9 | ||||
| 61 | P | 47.8 | Very low | 35.6 | Very low | 106 Ų | 106 | 159.6 Ų | 159.6 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | cis | -148.2 | -179.5 | 21.4 | 45.1 | -25.2 | 0 | 0 | 0 | 118.7 | ||||
| 62 | R | 33 | Very low | 35.3 | Very low | 235 Ų | 235 | 162.7 Ų | 162.7 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 40.5 | 143.8 | 138.2 | -70.2 | 172.9 | -179.6 | -179.4 | 0.2 | 119.7 | ||||
| 63 | R | 32.1 | Very low | 35 | Very low | 227 Ų | 227 | 160.7 Ų | 160.7 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | cis | -167.8 | 178.4 | 13.4 | -144.2 | -174.5 | -178.6 | -179.6 | -1 | 110.7 | ||||
| 64 | S | 28.8 | Very low | 34.7 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 104.8 | 141 | 150.4 | -57.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 65 | S | 30.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -117.2 | -154.8 | -171.2 | -26.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 66 | P | 48.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 157.1 Ų | 157.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | cis | -116.1 | -149.3 | 2.2 | 23.5 | 4.4 | 0 | 0 | 0 | 110.8 | ||||
| 67 | S | 33.3 | Very low | 34.4 | Very low | 94 Ų | 94 | 157.3 Ų | 157.3 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | cis | -161.7 | 169.2 | 15.8 | -40.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 68 | Q | 34.5 | Very low | 34.4 | Very low | 175 Ų | 175 | 159.9 Ų | 159.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 70.5 | 140.9 | 167.1 | -57.9 | -167.6 | 23.8 | 0 | 0 | 116.7 | ||||
| 69 | Q | 32.8 | Very low | 34.1 | Very low | 183 Ų | 183 | 158.3 Ų | 158.3 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | cis | -118.3 | -170.9 | 6.5 | -118 | 161 | 37.2 | 0 | 0 | 113.2 | ||||
| 70 | Q | 33.1 | Very low | 34.2 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -132.2 | -172.7 | -158.8 | -134 | -165.3 | 29.7 | 0 | 0 | 112.4 | ||||
| 71 | P | 42.6 | Very low | 34.2 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | -122.5 | 170.4 | -112.1 | 42.1 | -27.2 | 0 | 0 | 0 | 116 | |||||
| 72 | Q | 31.7 | Very low | 33.6 | Very low | 198 Ų | 198 | 156.7 Ų | 156.7 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -138 | 138.6 | 148.1 | -75.1 | -168.1 | -26.8 | 0 | 0 | 110.2 | ||||
| 73 | E | 29.1 | Very low | 33.9 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -86.3 | 156.2 | 166.5 | -58.8 | 179.2 | 145.8 | 0 | 0 | 107.8 | ||||
| 74 | I | 29.8 | Very low | 34 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -165 | 160.4 | 65.2 | -81.9 | 172.1 | 0 | 0 | 0 | 109.3 | |||||
| 75 | A | 31 | Very low | 34.4 | Very low | 87 Ų | 87 | 149.9 Ų | 149.9 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 67.6 | 101.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | S77 | A75-S77 PolarHBondContact O-N 3.13Å; A75-S77 VanDerWaalsContact O-N 3.07Å | ||
| 76 | V | 30.4 | Very low | 34.7 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 96.7 | 164.9 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 77 | S | 33 | Very low | 34 | Very low | 100 Ų | 100 | 157.3 Ų | 157.3 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -76 | 140.3 | 168.9 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | A75 S79 | A75-S77 PolarHBondContact O-N 3.13Å; A75-S77 VanDerWaalsContact O-N 3.07Å; S77-S79 PolarHBondContact O-N 3.3Å | ||
| 78 | R | 35.9 | Very low | 34.5 | Very low | 244 Ų | 244 | 160.1 Ų | 160.1 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -66.8 | 105.9 | 179.2 | -72.4 | 175.9 | 172.8 | 168.6 | -4 | 109.8 | ||||
| 79 | S | 30.7 | Very low | 35 | Very low | 109 Ų | 109 | 159.4 Ų | 159.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -56.8 | 135.3 | 166.8 | -56.2 | 0 | 0 | 0 | 0 | 109.7 | S77 H81 | S77-S79 PolarHBondContact O-N 3.3Å; S79-H81 PolarHBondContact O-N 3.34Å | ||
| 80 | P | 35.2 | Very low | 35.7 | Very low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -61.5 | 133.8 | -174 | -23.7 | 33.7 | 0 | 0 | 0 | 111.7 | R82 | P80-R82 PolarHBondContact O-N 3.31Š| ||
| 81 | H | 34.3 | Very low | 36.7 | Very low | 168 Ų | 168 | 151 Ų | 151 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | -59.7 | 113.7 | 161.9 | -173.5 | 60.9 | 0 | 0 | 0 | 106.8 | S79 E83 | S79-H81 PolarHBondContact O-N 3.34Å; H81-E83 PolarHBondContact O-N 3.25Å | ||
| 82 | R | 35.8 | Very low | 37.6 | Very low | 228 Ų | 228 | 152.2 Ų | 152.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -74.4 | 76 | 177.7 | -171.5 | -178 | -177.5 | -179.7 | 1.8 | 108.3 | P80 T84 | P80-R82 PolarHBondContact O-N 3.31Å; R82-T84 PolarHBondContact O-N 3.18Å | ||
| 83 | E | 37.8 | Very low | 38.9 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | trans | -48.3 | 111.7 | 163.3 | -69.9 | -174.7 | 156.2 | 0 | 0 | 107.6 | H81 K85 | H81-E83 PolarHBondContact O-N 3.25Å; E83-K85 HydrophobicContact CB-CG 4.49Å; E83-K85 PolarHBondContact O-N 2.82Å | ||
| 84 | T | 34.8 | Very low | 40.5 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -70.5 | 75.1 | 161.9 | 37.4 | 0 | 0 | 0 | 0 | 107 | R82 K86 | R82-T84 PolarHBondContact O-N 3.18Å; T84-K86 PolarHBondContact O-N 3.45Å | ||
| 85 | K | 36.9 | Very low | 42 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -45.7 | 106.9 | 168 | -75.2 | -171.4 | 175.2 | -174.9 | 0 | 106.5 | E83 K87 | E83-K85 HydrophobicContact CB-CG 4.49Å; E83-K85 PolarHBondContact O-N 2.82Å; K85-K87 PolarHBondContact O-N 3.47Å | ||
| 86 | K | 37.4 | Very low | 43.4 | Very low | 193 Ų | 193 | 131.3 Ų | 131.3 | 84% | 0.839 | 65% | 0.652 | S | S | * | * | trans | -52.9 | 115.2 | 171.3 | -77.1 | -173.3 | 172.9 | -172.2 | 0 | 104.5 | T84 N88 | T84-K86 PolarHBondContact O-N 3.45Å; K86-N88 PolarHBondContact O-N 3.18Å | ||
| 87 | K | 34.8 | Very low | 44.5 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 86% | 0.861 | 62% | 0.624 | S | S | * | * | trans | -53.4 | 129.7 | 169.2 | -66.3 | -178.5 | 179.5 | -179 | 0 | 105.1 | K85 K89 | K85-K87 PolarHBondContact O-N 3.47Å; K87-K89 PolarHBondContact O-N 3.2Å | ||
| 88 | N | 42.1 | Very low | 45.5 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 82% | 0.824 | 61% | 0.606 | S | S | * | * | trans | -57.3 | 106.8 | 169.5 | -80.7 | -5.9 | 0 | 0 | 0 | 106.4 | K86 V90 | K86-N88 PolarHBondContact O-N 3.18Å; N88-V90 PolarHBondContact O-N 3.05Å | ||
| 89 | K | 45.5 | Very low | 46.1 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | trans | -54.4 | 113.4 | 160.9 | -92 | -173.6 | 169.7 | -175.2 | 0 | 103.7 | K87 K91 E405 | K87-K89 PolarHBondContact O-N 3.2Å; K89-K91 PolarHBondContact O-N 3.39Å; K89-E405 IonicContact NZ-OE2 3.76Å | ||
| 90 | V | 47.9 | Very low | 47.2 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 79% | 0.794 | 59% | 0.589 | S | S | * | * | trans | -59.3 | 115.8 | 167.2 | 176.7 | 0 | 0 | 0 | 0 | 104.7 | N88 K92 | N88-V90 PolarHBondContact O-N 3.05Å; V90-K92 PolarHBondContact O-N 3.32Å | ||
| 91 | K | 54 | Low | 48.1 | Very low | 61 Ų | 61 | 112.6 Ų | 112.6 | 27% | 0.265 | 56% | 0.564 | S | S | . | * | trans | -66.4 | 103.1 | -173.3 | -81.4 | 179.4 | 160.5 | -85.7 | 0 | 108.5 | K89 Y93 W94 V96 D406 E410 | K89-K91 PolarHBondContact O-N 3.39Å; K91-Y93 PolarHBondContact O-N 3.21Å; K91-Y93 VanDerWaalsContact O-N 3.14Å; K91-W94 HydrophobicContact CB-CB 4.05Å; K91-W94 HydrophobicContact CD-CB 4.05Å; K91-W94 HydrophobicContact CD-CG 4.47Å; K91-V96 WeakPolarHBondContact O-CG2 3.4Å; K91-D406 IonicContact NZ-OD1 2.73Å; K91-D406 PolarHBondContact NZ-OD1 2.88Å; K91-E410 WeakPolarHBondContact CE-OE2 3.42Å; K91-E410 IonicContact NZ-OE2 3.83Å; K91-E410 PolarHBondContact NZ-OE2 2.97Å | ||
| 92 | K | 60.7 | Low | 49.3 | Very low | 125 Ų | 125 | 111.5 Ų | 111.5 | 54% | 0.543 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -54.1 | -32.1 | -176.2 | -176.1 | 177.9 | 167.9 | -161.3 | 0 | 111.9 | V90 E402 | V90-K92 PolarHBondContact O-N 3.32Å; K92-E402 IonicContact NZ-OE1 2.76Å; K92-E402 IonicContact NZ-OE2 2.73Å; K92-E402 PolarHBondContact NZ-OE2 3.15Å |
| 93 | Y | 59 | Low | 50 | Low | 24 Ų | 24 | 108 Ų | 108 | 9% | 0.094 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -114.3 | -25.2 | -172.4 | -54.3 | -71.5 | 0 | 0 | 0 | 115.4 | K91 E399 E402 F459 A460 | K91-Y93 PolarHBondContact O-N 3.21Å; K91-Y93 VanDerWaalsContact O-N 3.14Å; Y93-E399 PolarHBondContact OH-OE1 3.09Å; Y93-E402 HydrophobicContact CE2-CB 4.48Å; Y93-E402 WeakPolarHBondContact CE2-OE2 3.5Å; Y93-E402 PolarHBondContact OH-OE2 2.81Å; Y93-E402 VanDerWaalsContact OH-OE2 3.13Å; Y93-F459 HydrophobicContact CD1-CZ 4.46Å; Y93-F459 HydrophobicContact CD2-CE2 4.48Å; Y93-F459 HydrophobicContact CD2-CZ 4.21Å; Y93-F459 HydrophobicContact CG-CE1 4.35Å; Y93-F459 HydrophobicContact CG-CE2 4.17Å; Y93-F459 AromaticContact CG-CZ 3.89Å; Y93-F459 HydrophobicContact CG-CZ 3.89Å; Y93-F459 CarbonylContact O-C 3.58Å; Y93-F459 VanDerWaalsContact O-CA 3.31Å; Y93-F459 WeakPolarHBondContact O-CA 3.23Å; Y93-A460 HydrophobicContact CD1-CB 4.07Å; Y93-A460 PolarHBondContact O-N 3.48Å |
| 94 | W | 64 | Low | 50.6 | Low | 12 Ų | 12 | 103.4 Ų | 103.4 | 5% | 0.045 | 53% | 0.531 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 129.8 | -174.1 | -72.1 | 101.8 | 0 | 0 | 0 | 113.6 | K91 V96 M388 D406 E410 L454 R457 K458 F459 V464 | K91-W94 HydrophobicContact CB-CB 4.05Å; K91-W94 HydrophobicContact CD-CB 4.05Å; K91-W94 HydrophobicContact CD-CG 4.47Å; W94-V96 VanDerWaalsContact C-N 3.26Å; W94-V96 PolarHBondContact O-N 2.77Å; W94-M388 HydrophobicContact CH2-CE 3.72Å; W94-M388 HydrophobicContact CZ2-CE 3.68Å; W94-D406 PolarHBondContact NE1-O 3.27Å; W94-E410 HydrophobicContact CD2-CG 4.21Å; W94-E410 HydrophobicContact CH2-CG 4.24Å; W94-E410 HydrophobicContact CZ2-CB 3.89Å; W94-E410 HydrophobicContact CZ2-CG 3.78Å; W94-L454 HydrophobicContact CH2-CD2 3.92Å; W94-R457 HydrophobicContact CE3-CB 4.44Å; W94-R457 HydrophobicContact CZ3-CB 3.83Å; W94-K458 VanDerWaalsContact CE3-O 3.29Å; W94-F459 HydrophobicContact CD2-CD2 4.02Å; W94-F459 AromaticContact CE2-CD2 3.6Å; W94-F459 HydrophobicContact CG-CD2 4.36Å; W94-F459 HydrophobicContact CH2-CD2 4.46Å; W94-F459 AromaticContact CZ2-CD2 3.86Å; W94-F459 HydrophobicContact CZ2-CD2 3.86Å; W94-F459 HydrophobicContact CZ3-CB 4.47Å; W94-F459 AromaticContact NE1-CD2 3.7Å; W94-F459 AromaticContact NE1-CE2 3.86Å; W94-V464 HydrophobicContact CH2-CG2 4.15Å; W94-V464 HydrophobicContact CZ3-CG2 4.05Å |
| 95 | D | 60.3 | Low | 51.6 | Low | 52 Ų | 52 | 100.4 Ų | 100.4 | 28% | 0.278 | 52% | 0.515 | S | S | . | . | trans | 48.4 | 34.9 | 161.5 | -66.3 | -35.9 | 0 | 0 | 0 | 116.8 | P97 V106 R457 | D95-P97 WeakPolarHBondContact O-CD 3.23Å; D95-V106 HydrophobicContact CB-CG2 3.84Å; D95-V106 WeakPolarHBondContact O-CG2 3.25Å; D95-R457 IonicContact OD2-NH1 3.09Å | ||
| 96 | V | 60.8 | Low | 52.1 | Low | 96 Ų | 96 | 94 Ų | 94 | 58% | 0.582 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 120.1 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | K91 W94 | K91-V96 WeakPolarHBondContact O-CG2 3.4Å; W94-V96 VanDerWaalsContact C-N 3.26Å; W94-V96 PolarHBondContact O-N 2.77Å |
| 97 | P | 54.2 | Low | 52.8 | Low | 53 Ų | 53 | 92.2 Ų | 92.2 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 154.1 | -177 | 33.3 | -35.1 | 0 | 0 | 0 | 112.7 | D95 E102 | D95-P97 WeakPolarHBondContact O-CD 3.23Å; P97-E102 HydrophobicContact CG-CG 4.45Å |
| 98 | P | 53.3 | Low | 53.7 | Low | 49 Ų | 49 | 87.9 Ų | 87.9 | 32% | 0.318 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 153.4 | 172.6 | 30.4 | -32.5 | 0 | 0 | 0 | 111.9 | G100 F101 Y109 | P98-G100 PolarHBondContact O-N 2.8Å; P98-F101 HydrophobicContact CG-CB 4.33Å; P98-F101 PolarHBondContact O-N 3.14Å; P98-Y109 HydrophobicContact CG-CD2 4.39Å; P98-Y109 HydrophobicContact CG-CE1 4.01Å; P98-Y109 HydrophobicContact CG-CE2 3.85Å |
| 99 | P | 48 | Very low | 54.3 | Low | 119 Ų | 119 | 82.7 Ų | 82.7 | 77% | 0.773 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 136.3 | -177.9 | -27.9 | 35.5 | 0 | 0 | 0 | 113.5 | F101 | P99-F101 VanDerWaalsContact C-N 3.3Å; P99-F101 PolarHBondContact O-N 3.22Å |
| 100 | G | 53.7 | Low | 54.8 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -14.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.7 | P98 H103 | P98-G100 PolarHBondContact O-N 2.8Å; G100-H103 PolarHBondContact O-CE1 2.87Å |
| 101 | F | 54.1 | Low | 55.1 | Low | 61 Ų | 61 | 76.1 Ų | 76.1 | 27% | 0.268 | 41% | 0.41 | S | S | . | . | trans | -108.8 | 18.8 | 177.8 | -70.9 | -95.8 | 0 | 0 | 0 | 113.2 | P98 P99 H103 I104 Y109 I118 | P98-F101 HydrophobicContact CG-CB 4.33Å; P98-F101 PolarHBondContact O-N 3.14Å; P99-F101 VanDerWaalsContact C-N 3.3Å; P99-F101 PolarHBondContact O-N 3.22Å; F101-H103 PolarHBondContact O-N 3.45Å; F101-I104 HydrophobicContact CD1-CD1 3.89Å; F101-I104 PolarHBondContact O-N 2.85Å; F101-Y109 HydrophobicContact CB-CD2 3.83Å; F101-Y109 HydrophobicContact CB-CE2 3.92Å; F101-Y109 AromaticContact CD1-CD2 3.52Å; F101-Y109 HydrophobicContact CD1-CD2 3.52Å; F101-Y109 AromaticContact CD1-CE2 3.54Å; F101-Y109 HydrophobicContact CD1-CE2 3.54Å; F101-Y109 HydrophobicContact CD2-CD2 4.38Å; F101-Y109 AromaticContact CD2-CE2 3.69Å; F101-Y109 HydrophobicContact CD2-CE2 3.69Å; F101-Y109 HydrophobicContact CE1-CD2 4.15Å; F101-Y109 AromaticContact CE1-CE2 3.9Å; F101-Y109 HydrophobicContact CE1-CE2 3.9Å; F101-Y109 HydrophobicContact CE2-CE2 4.04Å; F101-Y109 AromaticContact CG-CD2 3.65Å; F101-Y109 HydrophobicContact CG-CD2 3.65Å; F101-Y109 AromaticContact CG-CE2 3.42Å; F101-Y109 HydrophobicContact CG-CE2 3.42Å; F101-Y109 VanDerWaalsContact CG-CE2 3.42Å; F101-Y109 HydrophobicContact CZ-CE2 4.14Å; F101-I118 HydrophobicContact CD1-CD1 4.38Å; F101-I118 HydrophobicContact CE1-CD1 3.78Å; F101-I118 HydrophobicContact CE1-CG1 4.21Å; F101-I118 HydrophobicContact CZ-CD1 4.2Å; F101-I118 HydrophobicContact CZ-CG1 4.44Å; F101-I118 HydrophobicContact CZ-CG2 4.2Å | ||
| 102 | E | 59.1 | Low | 55.3 | Low | 145 Ų | 145 | 75.3 Ų | 75.3 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -15.2 | -174.6 | -65.6 | 162.8 | -144.6 | 0 | 0 | 115.4 | P97 | P97-E102 HydrophobicContact CG-CG 4.45Š|
| 103 | H | 51.1 | Low | 54.9 | Low | 154 Ų | 154 | 74.5 Ų | 74.5 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 4.2 | -178.9 | 54.3 | -83.8 | 0 | 0 | 0 | 113.6 | G100 F101 | G100-H103 PolarHBondContact O-CE1 2.87Å; F101-H103 PolarHBondContact O-N 3.45Å |
| 104 | I | 50.9 | Low | 54.5 | Low | 34 Ų | 34 | 77.2 Ų | 77.2 | 17% | 0.174 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -119.4 | 135.4 | -178.2 | -68.1 | 161.1 | 0 | 0 | 0 | 109.4 | F101 Q108 M112 | F101-I104 HydrophobicContact CD1-CD1 3.89Å; F101-I104 PolarHBondContact O-N 2.85Å; I104-Q108 HydrophobicContact CG2-CB 3.92Å; I104-Q108 HydrophobicContact CG2-CG 3.94Å; I104-M112 HydrophobicContact CD1-SD 4.42Å; I104-M112 HydrophobicContact CG2-SD 4.26Å |
| 105 | S | 55.7 | Low | 54 | Low | 63 Ų | 63 | 78.6 Ų | 78.6 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | trans | -68.2 | 148.5 | -178.4 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | M107 Q108 Y109 | S105-M107 PolarHBondContact O-N 3.14Å; S105-M107 VanDerWaalsContact O-N 3.15Å; S105-Q108 CarbonylContact O-C 3.57Å; S105-Q108 WeakPolarHBondContact O-CA 3.06Å; S105-Q108 WeakPolarHBondContact O-CB 3.47Å; S105-Q108 PolarHBondContact O-N 3.35Å; S105-Q108 WeakPolarHBondContact OG-CB 3.35Å; S105-Q108 PolarHBondContact OG-N 2.6Å; S105-Y109 PolarHBondContact O-N 3.34Å | ||
| 106 | V | 47.6 | Very low | 53.6 | Low | 36 Ų | 36 | 78.2 Ų | 78.2 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -56.4 | -35 | -178.3 | 176.3 | 0 | 0 | 0 | 0 | 112.8 | D95 K110 | D95-V106 HydrophobicContact CB-CG2 3.84Å; D95-V106 WeakPolarHBondContact O-CG2 3.25Å; V106-K110 WeakPolarHBondContact O-CB 3.47Å; V106-K110 WeakPolarHBondContact O-CG 3.49Å; V106-K110 PolarHBondContact O-N 2.84Å |
| 107 | M | 52.5 | Low | 52.7 | Low | 157 Ų | 157 | 79.8 Ų | 79.8 | 77% | 0.773 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -68.3 | -42.4 | 176.2 | -167.5 | 173.5 | -172.3 | 0 | 0 | 111.8 | S105 K110 A111 | S105-M107 PolarHBondContact O-N 3.14Å; S105-M107 VanDerWaalsContact O-N 3.15Å; M107-K110 PolarHBondContact O-N 2.78Å; M107-A111 WeakPolarHBondContact O-CB 3.35Å; M107-A111 PolarHBondContact O-N 3.3Å |
| 108 | Q | 53.3 | Low | 52.4 | Low | 107 Ų | 107 | 78.4 Ų | 78.4 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 177.7 | -170.5 | 174.7 | 10.6 | 0 | 0 | 111.8 | I104 S105 A111 M112 | I104-Q108 HydrophobicContact CG2-CB 3.92Å; I104-Q108 HydrophobicContact CG2-CG 3.94Å; S105-Q108 CarbonylContact O-C 3.57Å; S105-Q108 WeakPolarHBondContact O-CA 3.06Å; S105-Q108 WeakPolarHBondContact O-CB 3.47Å; S105-Q108 PolarHBondContact O-N 3.35Å; S105-Q108 WeakPolarHBondContact OG-CB 3.35Å; S105-Q108 PolarHBondContact OG-N 2.6Å; Q108-A111 PolarHBondContact O-N 3.38Å; Q108-M112 HydrophobicContact CG-SD 4.4Å; Q108-M112 WeakPolarHBondContact O-CB 3.14Å; Q108-M112 VanDerWaalsContact O-CG 3.24Å; Q108-M112 WeakPolarHBondContact O-CG 3.25Å; Q108-M112 PolarHBondContact O-N 2.82Å |
| 109 | Y | 54.7 | Low | 51.8 | Low | 45 Ų | 45 | 79.2 Ų | 79.2 | 18% | 0.176 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 172.5 | -178.5 | -92.4 | 0 | 0 | 0 | 111.7 | P98 F101 S105 A111 M112 Q113 I118 | P98-Y109 HydrophobicContact CG-CD2 4.39Å; P98-Y109 HydrophobicContact CG-CE1 4.01Å; P98-Y109 HydrophobicContact CG-CE2 3.85Å; F101-Y109 HydrophobicContact CB-CD2 3.83Å; F101-Y109 HydrophobicContact CB-CE2 3.92Å; F101-Y109 AromaticContact CD1-CD2 3.52Å; F101-Y109 HydrophobicContact CD1-CD2 3.52Å; F101-Y109 AromaticContact CD1-CE2 3.54Å; F101-Y109 HydrophobicContact CD1-CE2 3.54Å; F101-Y109 HydrophobicContact CD2-CD2 4.38Å; F101-Y109 AromaticContact CD2-CE2 3.69Å; F101-Y109 HydrophobicContact CD2-CE2 3.69Å; F101-Y109 HydrophobicContact CE1-CD2 4.15Å; F101-Y109 AromaticContact CE1-CE2 3.9Å; F101-Y109 HydrophobicContact CE1-CE2 3.9Å; F101-Y109 HydrophobicContact CE2-CE2 4.04Å; F101-Y109 AromaticContact CG-CD2 3.65Å; F101-Y109 HydrophobicContact CG-CD2 3.65Å; F101-Y109 AromaticContact CG-CE2 3.42Å; F101-Y109 HydrophobicContact CG-CE2 3.42Å; F101-Y109 VanDerWaalsContact CG-CE2 3.42Å; F101-Y109 HydrophobicContact CZ-CE2 4.14Å; S105-Y109 PolarHBondContact O-N 3.34Å; Y109-A111 PolarHBondContact O-N 3.31Å; Y109-M112 PolarHBondContact O-N 3.32Å; Y109-Q113 WeakPolarHBondContact O-CB 3.36Å; Y109-Q113 PolarHBondContact O-N 3.13Å; Y109-Q113 PolarHBondContact OH-NE2 3.35Å; Y109-I118 HydrophobicContact CD2-CD1 3.6Å; Y109-I118 HydrophobicContact CE2-CD1 3.47Å; Y109-I118 VanDerWaalsContact CE2-CD1 3.47Å; Y109-I118 HydrophobicContact CG-CD1 4.28Å |
| 110 | K | 55.7 | Low | 51.6 | Low | 96 Ų | 96 | 76.4 Ų | 76.4 | 42% | 0.417 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 173 | -78.1 | 178.5 | 178.9 | 178.5 | 0 | 111.9 | V106 M107 Q113 A114 | V106-K110 WeakPolarHBondContact O-CB 3.47Å; V106-K110 WeakPolarHBondContact O-CG 3.49Å; V106-K110 PolarHBondContact O-N 2.84Å; M107-K110 PolarHBondContact O-N 2.78Å; K110-Q113 PolarHBondContact O-N 3.3Å; K110-A114 VanDerWaalsContact O-CB 3.31Å; K110-A114 WeakPolarHBondContact O-CB 3.47Å; K110-A114 PolarHBondContact O-N 3.06Å |
| 111 | A | 54.8 | Low | 51.1 | Low | 57 Ų | 57 | 78.3 Ų | 78.3 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M107 Q108 Y109 Q113 A114 A115 | M107-A111 WeakPolarHBondContact O-CB 3.35Å; M107-A111 PolarHBondContact O-N 3.3Å; Q108-A111 PolarHBondContact O-N 3.38Å; Y109-A111 PolarHBondContact O-N 3.31Å; A111-Q113 VanDerWaalsContact C-N 3.32Å; A111-Q113 PolarHBondContact O-N 2.86Å; A111-A114 PolarHBondContact O-N 3.42Å; A111-A115 VanDerWaalsContact O-CB 3.22Å; A111-A115 WeakPolarHBondContact O-CB 3.31Å; A111-A115 PolarHBondContact O-N 2.88Å |
| 112 | M | 56.9 | Low | 50.6 | Low | 44 Ų | 44 | 76.9 Ų | 76.9 | 22% | 0.217 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 175.9 | -68.8 | 173.1 | 70 | 0 | 0 | 112.3 | I104 Q108 Y109 G116 Q117 I118 | I104-M112 HydrophobicContact CD1-SD 4.42Å; I104-M112 HydrophobicContact CG2-SD 4.26Å; Q108-M112 HydrophobicContact CG-SD 4.4Å; Q108-M112 WeakPolarHBondContact O-CB 3.14Å; Q108-M112 VanDerWaalsContact O-CG 3.24Å; Q108-M112 WeakPolarHBondContact O-CG 3.25Å; Q108-M112 PolarHBondContact O-N 2.82Å; Y109-M112 PolarHBondContact O-N 3.32Å; M112-G116 PolarHBondContact O-N 3.39Å; M112-Q117 HydrophobicContact CB-CB 4.2Å; M112-Q117 WeakPolarHBondContact O-CB 3.21Å; M112-Q117 PolarHBondContact O-N 3.08Å; M112-I118 HydrophobicContact CB-CD1 3.84Å; M112-I118 HydrophobicContact CB-CG1 3.89Å; M112-I118 HydrophobicContact CE-CG1 4.37Å; M112-I118 PolarHBondContact O-N 2.95Å |
| 113 | Q | 53.7 | Low | 49.8 | Very low | 108 Ų | 108 | 75.8 Ų | 75.8 | 51% | 0.505 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.1 | -38.4 | 176.6 | -166.7 | 168.1 | 95 | 0 | 0 | 112.3 | Y109 K110 A111 G116 I118 | Y109-Q113 WeakPolarHBondContact O-CB 3.36Å; Y109-Q113 PolarHBondContact O-N 3.13Å; Y109-Q113 PolarHBondContact OH-NE2 3.35Å; K110-Q113 PolarHBondContact O-N 3.3Å; A111-Q113 VanDerWaalsContact C-N 3.32Å; A111-Q113 PolarHBondContact O-N 2.86Å; Q113-G116 PolarHBondContact O-N 3.1Å; Q113-I118 HydrophobicContact CB-CD1 4.37Å |
| 114 | A | 50.5 | Low | 49.2 | Very low | 81 Ų | 81 | 73.2 Ų | 73.2 | 67% | 0.669 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.8 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K110 A111 G116 | K110-A114 VanDerWaalsContact O-CB 3.31Å; K110-A114 WeakPolarHBondContact O-CB 3.47Å; K110-A114 PolarHBondContact O-N 3.06Å; A111-A114 PolarHBondContact O-N 3.42Å; A114-G116 PolarHBondContact O-N 2.75Å |
| 115 | A | 52.3 | Low | 48.7 | Very low | 40 Ų | 40 | 75.6 Ų | 75.6 | 33% | 0.331 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A111 Q117 | A111-A115 VanDerWaalsContact O-CB 3.22Å; A111-A115 WeakPolarHBondContact O-CB 3.31Å; A111-A115 PolarHBondContact O-N 2.88Å; A115-Q117 VanDerWaalsContact C-N 3.26Å; A115-Q117 HydrophobicContact CB-CG 4.43Å; A115-Q117 PolarHBondContact O-N 3.42Å |
| 116 | G | 52.8 | Low | 48.1 | Very low | 45 Ų | 45 | 75.4 Ų | 75.4 | 46% | 0.464 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 10.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | M112 Q113 A114 I118 | M112-G116 PolarHBondContact O-N 3.39Å; Q113-G116 PolarHBondContact O-N 3.1Å; A114-G116 PolarHBondContact O-N 2.75Å; G116-I118 VanDerWaalsContact C-N 3.29Å; G116-I118 PolarHBondContact O-N 2.88Å |
| 117 | Q | 42.5 | Very low | 47.6 | Very low | 129 Ų | 129 | 80.3 Ų | 80.3 | 60% | 0.603 | 46% | 0.464 | S | S | * | . | trans | -74.5 | -17.6 | 178.6 | -63.4 | -175.4 | -9.6 | 0 | 0 | 113.3 | M112 A115 | M112-Q117 HydrophobicContact CB-CB 4.2Å; M112-Q117 WeakPolarHBondContact O-CB 3.21Å; M112-Q117 PolarHBondContact O-N 3.08Å; A115-Q117 VanDerWaalsContact C-N 3.26Å; A115-Q117 HydrophobicContact CB-CG 4.43Å; A115-Q117 PolarHBondContact O-N 3.42Å | ||
| 118 | I | 47.6 | Very low | 47.4 | Very low | 24 Ų | 24 | 75.9 Ų | 75.9 | 12% | 0.123 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -105 | 106.8 | 171.2 | -57.1 | 176.8 | 0 | 0 | 0 | 107.4 | F101 Y109 M112 Q113 G116 | F101-I118 HydrophobicContact CD1-CD1 4.38Å; F101-I118 HydrophobicContact CE1-CD1 3.78Å; F101-I118 HydrophobicContact CE1-CG1 4.21Å; F101-I118 HydrophobicContact CZ-CD1 4.2Å; F101-I118 HydrophobicContact CZ-CG1 4.44Å; F101-I118 HydrophobicContact CZ-CG2 4.2Å; Y109-I118 HydrophobicContact CD2-CD1 3.6Å; Y109-I118 HydrophobicContact CE2-CD1 3.47Å; Y109-I118 VanDerWaalsContact CE2-CD1 3.47Å; Y109-I118 HydrophobicContact CG-CD1 4.28Å; M112-I118 HydrophobicContact CB-CD1 3.84Å; M112-I118 HydrophobicContact CB-CG1 3.89Å; M112-I118 HydrophobicContact CE-CG1 4.37Å; M112-I118 PolarHBondContact O-N 2.95Å; Q113-I118 HydrophobicContact CB-CD1 4.37Å; G116-I118 VanDerWaalsContact C-N 3.29Å; G116-I118 PolarHBondContact O-N 2.88Å |
| 119 | P | 40.1 | Very low | 46.9 | Very low | 65 Ų | 65 | 77.3 Ų | 77.3 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | trans | -66.7 | 136.6 | -178 | 26.9 | -33.8 | 0 | 0 | 0 | 110.8 | T121 P138 | P119-T121 PolarHBondContact O-N 3.34Å; P119-P138 HydrophobicContact CB-CB 3.87Å; P119-P138 HydrophobicContact CG-CB 4.06Å | ||
| 120 | A | 44.6 | Very low | 46.5 | Very low | 60 Ų | 60 | 82.9 Ų | 82.9 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 117.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A122 V141 | A120-A122 PolarHBondContact O-N 2.94Å; A120-V141 HydrophobicContact CB-CG2 4.14Å |
| 121 | T | 41.8 | Very low | 46.2 | Very low | 93 Ų | 93 | 79.9 Ų | 79.9 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 97.7 | -179.1 | -45 | 0 | 0 | 0 | 0 | 110.5 | P119 L123 P136 | P119-T121 PolarHBondContact O-N 3.34Å; T121-L123 PolarHBondContact O-N 3.1Å; T121-P136 HydrophobicContact CG2-CB 3.31Å |
| 122 | A | 45 | Very low | 45.4 | Very low | 32 Ų | 32 | 83.2 Ų | 83.2 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 122.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A120 L124 T137 V139 | A120-A122 PolarHBondContact O-N 2.94Å; A122-L124 HydrophobicContact CB-CG 4.39Å; A122-L124 PolarHBondContact O-N 2.83Å; A122-T137 PolarHBondContact N-O 3.14Å; A122-T137 VanDerWaalsContact N-O 3.09Å; A122-T137 PolarHBondContact O-N 3.48Å; A122-T137 VanDerWaalsContact O-N 3.07Å; A122-T137 PolarHBondContact O-OG1 2.95Å; A122-V139 HydrophobicContact CB-CG2 3.75Å |
| 123 | L | 42.1 | Very low | 44.9 | Very low | 122 Ų | 122 | 82.6 Ų | 82.6 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 82.8 | 172.6 | -68.4 | -178.8 | 0 | 0 | 0 | 108.9 | T121 V134 P136 | T121-L123 PolarHBondContact O-N 3.1Å; L123-V134 HydrophobicContact CB-CG1 3.65Å; L123-V134 HydrophobicContact CD2-CG1 4.02Å; L123-V134 HydrophobicContact CG-CG1 4.28Å; L123-P136 HydrophobicContact CD2-CB 4.22Å |
| 124 | L | 38.3 | Very low | 44.5 | Very low | 100 Ų | 100 | 81.7 Ų | 81.7 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.2 | 176.4 | -72.1 | 170.3 | 0 | 0 | 0 | 110.1 | A122 T126 T135 | A122-L124 HydrophobicContact CB-CG 4.39Å; A122-L124 PolarHBondContact O-N 2.83Å; L124-T126 PolarHBondContact O-N 3.41Å; L124-T135 PolarHBondContact O-N 3.25Å |
| 125 | P | 39.8 | Very low | 44.1 | Very low | 83 Ų | 83 | 80.6 Ų | 80.6 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.6 | 170.8 | 29.8 | -31.9 | 0 | 0 | 0 | 109.3 | L132 | P125-L132 HydrophobicContact CB-CD2 4.23Å |
| 126 | T | 42.6 | Very low | 43.6 | Very low | 59 Ų | 59 | 82.9 Ų | 82.9 | 36% | 0.362 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.9 | 171.6 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | L124 A133 T135 | L124-T126 PolarHBondContact O-N 3.41Å; T126-A133 HydrophobicContact CG2-CB 4.2Å; T126-A133 WeakPolarHBondContact CG2-O 3.2Å; T126-A133 PolarHBondContact N-O 2.87Å; T126-A133 PolarHBondContact O-N 2.93Å; T126-A133 VanDerWaalsContact O-O 3.09Å; T126-T135 HydrophobicContact CG2-CG2 3.86Å |
| 127 | M | 39 | Very low | 43.1 | Very low | 139 Ų | 139 | 83.1 Ų | 83.1 | 69% | 0.685 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 113.6 | 179.2 | -63.7 | -66.8 | 177.2 | 0 | 0 | 108.9 | L132 | M127-L132 HydrophobicContact CE-CD1 3.77Å; M127-L132 HydrophobicContact CE-CD2 4.4Å; M127-L132 HydrophobicContact CE-CG 3.87Å; M127-L132 HydrophobicContact SD-CD1 3.76Å; M127-L132 HydrophobicContact SD-CG 3.86Å |
| 128 | T | 46.4 | Very low | 42.8 | Very low | 64 Ų | 64 | 81.6 Ų | 81.6 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 166.6 | 168.3 | 68.8 | 0 | 0 | 0 | 0 | 109.5 | D130 G131 A133 | T128-D130 PolarHBondContact O-N 3.23Å; T128-D130 VanDerWaalsContact O-N 3.07Å; T128-G131 PolarHBondContact N-O 2.74Å; T128-G131 PolarHBondContact O-N 3.24Å; T128-G131 PolarHBondContact OG1-O 2.8Å; T128-A133 HydrophobicContact CG2-CB 4.04Å |
| 129 | P | 44.5 | Very low | 42.4 | Very low | 137 Ų | 137 | 83.5 Ų | 83.5 | 89% | 0.89 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22 | 179.4 | -27.5 | 37.2 | 0 | 0 | 0 | 115 | ||
| 130 | D | 45.8 | Very low | 42.5 | Very low | 163 Ų | 163 | 85.4 Ų | 85.4 | 87% | 0.872 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 4.6 | 179.3 | -69.7 | -77.3 | 0 | 0 | 0 | 114.1 | T128 | T128-D130 PolarHBondContact O-N 3.23Å; T128-D130 VanDerWaalsContact O-N 3.07Å |
| 131 | G | 49 | Very low | 42.6 | Very low | 32 Ų | 32 | 87 Ų | 87 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.7 | -160.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T128 A133 | T128-G131 PolarHBondContact N-O 2.74Å; T128-G131 PolarHBondContact O-N 3.24Å; T128-G131 PolarHBondContact OG1-O 2.8Å; G131-A133 PolarHBondContact O-N 2.84Å |
| 132 | L | 38.2 | Very low | 42.6 | Very low | 127 Ų | 127 | 89 Ų | 89 | 67% | 0.665 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 113.7 | 173.4 | -85.2 | 84.8 | 0 | 0 | 0 | 110.2 | P125 M127 | P125-L132 HydrophobicContact CB-CD2 4.23Å; M127-L132 HydrophobicContact CE-CD1 3.77Å; M127-L132 HydrophobicContact CE-CD2 4.4Å; M127-L132 HydrophobicContact CE-CG 3.87Å; M127-L132 HydrophobicContact SD-CD1 3.76Å; M127-L132 HydrophobicContact SD-CG 3.86Å |
| 133 | A | 47.2 | Very low | 42.7 | Very low | 31 Ų | 31 | 88.9 Ų | 88.9 | 26% | 0.256 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T126 T128 G131 | T126-A133 HydrophobicContact CG2-CB 4.2Å; T126-A133 WeakPolarHBondContact CG2-O 3.2Å; T126-A133 PolarHBondContact N-O 2.87Å; T126-A133 PolarHBondContact O-N 2.93Å; T126-A133 VanDerWaalsContact O-O 3.09Å; T128-A133 HydrophobicContact CG2-CB 4.04Å; G131-A133 PolarHBondContact O-N 2.84Å |
| 134 | V | 45.4 | Very low | 43.1 | Very low | 89 Ų | 89 | 86.5 Ų | 86.5 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 108.4 | 174 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | L123 | L123-V134 HydrophobicContact CB-CG1 3.65Å; L123-V134 HydrophobicContact CD2-CG1 4.02Å; L123-V134 HydrophobicContact CG-CG1 4.28Å |
| 135 | T | 41.5 | Very low | 43.7 | Very low | 59 Ų | 59 | 88.8 Ų | 88.8 | 36% | 0.362 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.5 | -176.8 | 52 | 0 | 0 | 0 | 0 | 111.5 | L124 T126 T137 | L124-T135 PolarHBondContact O-N 3.25Å; T126-T135 HydrophobicContact CG2-CG2 3.86Å; T135-T137 PolarHBondContact O-N 2.87Å; T135-T137 VanDerWaalsContact O-N 3.15Å |
| 136 | P | 41 | Very low | 44.2 | Very low | 87 Ų | 87 | 93 Ų | 93 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 109.2 | 175.3 | 27.7 | -32.4 | 0 | 0 | 0 | 109.8 | T121 L123 | T121-P136 HydrophobicContact CG2-CB 3.31Å; L123-P136 HydrophobicContact CD2-CB 4.22Å |
| 137 | T | 42.1 | Very low | 45.3 | Very low | 50 Ų | 50 | 92.2 Ų | 92.2 | 31% | 0.307 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.6 | 177.3 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | A122 T135 V139 | A122-T137 PolarHBondContact N-O 3.14Å; A122-T137 VanDerWaalsContact N-O 3.09Å; A122-T137 PolarHBondContact O-N 3.48Å; A122-T137 VanDerWaalsContact O-N 3.07Å; A122-T137 PolarHBondContact O-OG1 2.95Å; T135-T137 PolarHBondContact O-N 2.87Å; T135-T137 VanDerWaalsContact O-N 3.15Å; T137-V139 PolarHBondContact O-N 2.83Å |
| 138 | P | 37.5 | Very low | 46.9 | Very low | 97 Ų | 97 | 89.9 Ų | 89.9 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 102.7 | 175.2 | 30.5 | -31.8 | 0 | 0 | 0 | 109.2 | P119 | P119-P138 HydrophobicContact CB-CB 3.87Å; P119-P138 HydrophobicContact CG-CB 4.06Å |
| 139 | V | 38.8 | Very low | 48.4 | Very low | 64 Ų | 64 | 90.6 Ų | 90.6 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | A122 T137 V141 | A122-V139 HydrophobicContact CB-CG2 3.75Å; T137-V139 PolarHBondContact O-N 2.83Å; V139-V141 PolarHBondContact O-N 3.47Å |
| 140 | P | 41.6 | Very low | 50.2 | Low | 106 Ų | 106 | 84.4 Ų | 84.4 | 69% | 0.688 | 49% | 0.493 | S | S | * | . | trans | -62.2 | 132.8 | 172.5 | 26.6 | -33.5 | 0 | 0 | 0 | 109.4 | V142 | P140-V142 PolarHBondContact O-N 2.92Š| ||
| 141 | V | 47.1 | Very low | 52.3 | Low | 93 Ų | 93 | 77.2 Ų | 77.2 | 56% | 0.564 | 45% | 0.453 | S | S | * | . | trans | -71.9 | 91.2 | -173.4 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | A120 V139 G143 | A120-V141 HydrophobicContact CB-CG2 4.14Å; V139-V141 PolarHBondContact O-N 3.47Å; V141-G143 PolarHBondContact O-N 2.69Å | ||
| 142 | V | 40.9 | Very low | 54.3 | Low | 136 Ų | 136 | 77.1 Ų | 77.1 | 82% | 0.824 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 120.6 | 164.9 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | P140 S144 | P140-V142 PolarHBondContact O-N 2.92Å; V142-S144 PolarHBondContact O-N 3.27Å |
| 143 | G | 48.1 | Very low | 57 | Low | 29 Ų | 29 | 71 Ų | 71 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 126.2 | -156.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V141 | V141-G143 PolarHBondContact O-N 2.69Š|
| 144 | S | 49.5 | Very low | 59.3 | Low | 71 Ų | 71 | 73 Ų | 73 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 144.2 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | V142 M146 T147 | V142-S144 PolarHBondContact O-N 3.27Å; S144-M146 PolarHBondContact O-N 3.47Å; S144-M146 VanDerWaalsContact O-N 3.07Å; S144-M146 PolarHBondContact OG-N 3.2Å; S144-T147 PolarHBondContact O-N 2.84Å; S144-T147 PolarHBondContact O-OG1 3.36Å |
| 145 | Q | 52.8 | Low | 61.6 | Low | 149 Ų | 149 | 68.8 Ų | 68.8 | 70% | 0.696 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -52.3 | -31.1 | 172.2 | -68.9 | -68.7 | -10.9 | 0 | 0 | 111.6 | T147 R148 | Q145-T147 PolarHBondContact O-N 2.88Å; Q145-R148 VanDerWaalsContact O-CB 3.23Å; Q145-R148 WeakPolarHBondContact O-CB 3.28Å; Q145-R148 PolarHBondContact O-N 3.28Å; Q145-R148 VanDerWaalsContact O-N 3.08Å |
| 146 | M | 48.8 | Very low | 64 | Low | 170 Ų | 170 | 66.1 Ų | 66.1 | 84% | 0.837 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -60.6 | -26.6 | 179 | -156.1 | 73 | 102.1 | 0 | 0 | 114 | S144 | S144-M146 PolarHBondContact O-N 3.47Å; S144-M146 VanDerWaalsContact O-N 3.07Å; S144-M146 PolarHBondContact OG-N 3.2Å |
| 147 | T | 66.6 | Low | 66.3 | Low | 44 Ų | 44 | 65.1 Ų | 65.1 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -99.2 | -0.6 | 177.2 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | S144 Q145 Q149 A150 R151 | S144-T147 PolarHBondContact O-N 2.84Å; S144-T147 PolarHBondContact O-OG1 3.36Å; Q145-T147 PolarHBondContact O-N 2.88Å; T147-Q149 VanDerWaalsContact C-N 3.3Å; T147-Q149 PolarHBondContact O-N 3.41Å; T147-A150 PolarHBondContact O-N 3.47Å; T147-R151 WeakPolarHBondContact O-CG 3.49Å; T147-R151 PolarHBondContact O-N 3.16Å; T147-R151 PolarHBondContact OG1-NE 2.86Å |
| 148 | R | 72.5 | Confident | 68.7 | Low | 89 Ų | 89 | 63 Ų | 63 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -36 | -172.1 | -171.9 | 172.2 | -174.7 | -125.4 | -13.5 | 113.5 | Q145 R151 R152 E203 | Q145-R148 VanDerWaalsContact O-CB 3.23Å; Q145-R148 WeakPolarHBondContact O-CB 3.28Å; Q145-R148 PolarHBondContact O-N 3.28Å; Q145-R148 VanDerWaalsContact O-N 3.08Å; R148-R151 PolarHBondContact O-N 2.84Å; R148-R152 WeakPolarHBondContact O-CD 3.4Å; R148-R152 VanDerWaalsContact O-CG 3.28Å; R148-R152 WeakPolarHBondContact O-CG 3.26Å; R148-E203 IonicContact CZ-OE2 3.54Å; R148-E203 IonicContact NE-OE1 3.21Å; R148-E203 IonicContact NE-OE2 3.5Å; R148-E203 PolarHBondContact NE-OE2 2.9Å; R148-E203 IonicContact NH2-OE2 2.74Å; R148-E203 PolarHBondContact NH2-OE2 3.16Å |
| 149 | Q | 78.3 | Confident | 71.2 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -40.4 | 175.6 | -61.7 | 179.3 | -62.6 | 0 | 0 | 111.8 | T147 R151 R152 D233 | T147-Q149 VanDerWaalsContact C-N 3.3Å; T147-Q149 PolarHBondContact O-N 3.41Å; Q149-R151 VanDerWaalsContact C-N 3.26Å; Q149-R151 PolarHBondContact O-N 3.11Å; Q149-R152 PolarHBondContact O-N 3.11Å; Q149-D233 WeakPolarHBondContact CG-OD2 3.49Å; Q149-D233 PolarHBondContact NE2-O 2.92Å; Q149-D233 VanDerWaalsContact NE2-O 3.17Å; Q149-D233 PolarHBondContact NE2-OD2 2.76Å |
| 150 | A | 82.4 | Confident | 73.5 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T147 R152 V207 R230 Y234 L237 | T147-A150 PolarHBondContact O-N 3.47Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-V207 HydrophobicContact CB-CG1 3.99Å; A150-V207 HydrophobicContact CB-CG2 3.74Å; A150-R230 PolarHBondContact O-NH1 3.15Å; A150-Y234 HydrophobicContact CB-CE2 4.13Å; A150-L237 HydrophobicContact CB-CD1 3.94Å; A150-L237 HydrophobicContact CB-CG 4.25Å |
| 151 | R | 88.9 | Confident | 75.6 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 5% | 0.045 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 8.4 | 175.5 | -68.8 | -170.4 | -64.5 | 97.7 | -1.2 | 114.9 | T147 R148 Q149 E203 F204 R205 V207 T210 | T147-R151 WeakPolarHBondContact O-CG 3.49Å; T147-R151 PolarHBondContact O-N 3.16Å; T147-R151 PolarHBondContact OG1-NE 2.86Å; R148-R151 PolarHBondContact O-N 2.84Å; Q149-R151 VanDerWaalsContact C-N 3.26Å; Q149-R151 PolarHBondContact O-N 3.11Å; R151-E203 IonicContact CZ-OE1 3.9Å; R151-E203 IonicContact NH1-OE1 2.73Å; R151-E203 PolarHBondContact NH1-OE1 3.39Å; R151-E203 IonicContact NH2-OE1 3.8Å; R151-E203 PolarHBondContact NH2-OE1 3.42Å; R151-E203 WeakPolarHBondContact O-CA 3.5Å; R151-F204 WeakPolarHBondContact CB-O 3.21Å; R151-F204 WeakPolarHBondContact CD-O 3.47Å; R151-F204 PolarHBondContact NH1-O 2.81Å; R151-F204 PolarHBondContact O-N 2.67Å; R151-R205 VanDerWaalsContact CD-O 3.25Å; R151-R205 WeakPolarHBondContact CD-O 3.13Å; R151-V207 HydrophobicContact CG-CG2 3.66Å; R151-T210 WeakPolarHBondContact CA-OG1 3.23Å; R151-T210 PolarHBondContact O-OG1 3.07Å |
| 152 | R | 92.3 | Very high | 77.7 | Confident | 30 Ų | 30 | 57 Ų | 57 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 145.9 | -177.9 | -76 | 167.6 | 74.3 | -125.3 | 3.7 | 113 | R148 Q149 A150 L202 E203 P231 D233 | R148-R152 WeakPolarHBondContact O-CD 3.4Å; R148-R152 VanDerWaalsContact O-CG 3.28Å; R148-R152 WeakPolarHBondContact O-CG 3.26Å; Q149-R152 PolarHBondContact O-N 3.11Å; A150-R152 VanDerWaalsContact C-N 3.34Å; R152-L202 CarbonylContact C-O 3.53Å; R152-L202 WeakPolarHBondContact CA-O 3.25Å; R152-E203 HydrophobicContact CG-CB 3.97Å; R152-E203 HydrophobicContact CG-CG 4.03Å; R152-P231 HydrophobicContact CB-CG 3.88Å; R152-P231 WeakPolarHBondContact O-CD 3.39Å; R152-D233 IonicContact NH1-OD1 3.11Å; R152-D233 IonicContact NH1-OD2 3.82Å |
| 153 | L | 94.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.1 | 167.2 | -66.2 | -178.3 | 0 | 0 | 0 | 110.8 | F201 L202 F204 T210 A213 M214 I228 | L153-F201 CarbonylContact O-C 3.49Å; L153-F201 VanDerWaalsContact O-CA 3.3Å; L153-F201 WeakPolarHBondContact O-CA 3.48Å; L153-L202 PolarHBondContact N-O 2.9Å; L153-L202 PolarHBondContact O-N 2.82Å; L153-F204 HydrophobicContact CB-CE2 4.3Å; L153-F204 HydrophobicContact CD1-CE2 3.71Å; L153-F204 HydrophobicContact CD1-CZ 4.01Å; L153-F204 HydrophobicContact CG-CE2 3.9Å; L153-T210 HydrophobicContact CD1-CG2 4.37Å; L153-T210 HydrophobicContact CD2-CG2 3.69Å; L153-T210 HydrophobicContact CG-CG2 3.61Å; L153-A213 HydrophobicContact CD1-CB 3.7Å; L153-M214 HydrophobicContact CD2-CG 4.02Å; L153-M214 HydrophobicContact CD2-SD 3.54Å; L153-M214 VanDerWaalsContact CD2-SD 3.54Å; L153-I228 HydrophobicContact CB-CG2 4.36Å; L153-I228 HydrophobicContact CD1-CG2 3.7Å; L153-I228 HydrophobicContact CG-CG2 4.41Å |
| 154 | Y | 94.6 | Very high | 82.2 | Confident | 73 Ų | 73 | 57 Ų | 57 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.2 | 163.4 | 171.9 | -88.4 | 0 | 0 | 0 | 108.8 | F199 F201 I228 R229 | Y154-F199 HydrophobicContact CD2-CB 4.44Å; Y154-F199 HydrophobicContact CD2-CD2 4.22Å; Y154-F199 HydrophobicContact CD2-CG 4.39Å; Y154-F199 HydrophobicContact CE2-CB 3.56Å; Y154-F199 AromaticContact CE2-CD1 3.98Å; Y154-F199 HydrophobicContact CE2-CD1 3.98Å; Y154-F199 AromaticContact CE2-CD2 3.73Å; Y154-F199 HydrophobicContact CE2-CD2 3.73Å; Y154-F199 HydrophobicContact CE2-CE2 4.43Å; Y154-F199 AromaticContact CE2-CG 3.5Å; Y154-F199 HydrophobicContact CE2-CG 3.5Å; Y154-F199 VanDerWaalsContact CE2-CG 3.5Å; Y154-F199 WeakPolarHBondContact OH-CB 3.28Å; Y154-F201 AromaticContact CD2-CE1 3.89Å; Y154-F201 HydrophobicContact CD2-CE1 3.89Å; Y154-F201 HydrophobicContact CD2-CZ 4.03Å; Y154-F201 HydrophobicContact CG-CE1 4.46Å; Y154-I228 CarbonylContact O-C 3.59Å; Y154-I228 WeakPolarHBondContact O-CA 3.46Å; Y154-R229 HydrophobicContact CD1-CB 4.25Å; Y154-R229 PolarHBondContact N-O 3.11Å; Y154-R229 PolarHBondContact O-N 2.7Å |
| 155 | V | 94.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 101.2 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | I158 F171 F199 A200 L202 L226 K227 I228 | V155-I158 HydrophobicContact CG1-CG2 4.22Å; V155-I158 WeakPolarHBondContact O-CG2 3.49Å; V155-F171 HydrophobicContact CG1-CZ 4.45Å; V155-F171 HydrophobicContact CG2-CZ 4.4Å; V155-F199 CarbonylContact O-C 3.59Å; V155-F199 VanDerWaalsContact O-CA 3.26Å; V155-F199 WeakPolarHBondContact O-CA 3.47Å; V155-A200 HydrophobicContact CB-CB 4.48Å; V155-A200 PolarHBondContact N-O 2.82Å; V155-A200 PolarHBondContact O-N 3.3Å; V155-L202 HydrophobicContact CB-CD1 4.15Å; V155-L202 HydrophobicContact CG2-CD1 3.65Å; V155-L202 HydrophobicContact CG2-CD2 4.3Å; V155-L226 HydrophobicContact CG1-CB 4.02Å; V155-L226 HydrophobicContact CG1-CD1 4.04Å; V155-L226 HydrophobicContact CG1-CD2 4.4Å; V155-L226 HydrophobicContact CG1-CG 4.39Å; V155-K227 WeakPolarHBondContact CA-O 3.24Å; V155-I228 HydrophobicContact CG2-CG1 4.18Å; V155-I228 HydrophobicContact CG2-CG2 4.4Å |
| 156 | G | 91.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 172.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K227 | G156-K227 PolarHBondContact N-O 3.33Å; G156-K227 PolarHBondContact O-N 3.24Å |
| 157 | N | 89.9 | Confident | 88.4 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 61.6 | 47.5 | -179.4 | -159.6 | 100.6 | 0 | 0 | 0 | 111.7 | N198 Q224 S225 L226 K227 | N157-N198 PolarHBondContact N-O 3.27Å; N157-Q224 PolarHBondContact O-OE1 3.41Å; N157-S225 PolarHBondContact ND2-O 3.26Å; N157-L226 WeakPolarHBondContact O-CD2 3.24Å; N157-K227 HydrophobicContact CB-CD 4.14Å; N157-K227 HydrophobicContact CB-CG 4.07Å |
| 158 | I | 92.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 149.9 | 176.6 | 78.6 | -174.9 | 0 | 0 | 0 | 110.6 | V155 I162 M167 I193 N198 Q224 L226 | V155-I158 HydrophobicContact CG1-CG2 4.22Å; V155-I158 WeakPolarHBondContact O-CG2 3.49Å; I158-I162 HydrophobicContact CB-CG2 4.43Å; I158-I162 HydrophobicContact CD1-CG2 3.85Å; I158-I162 HydrophobicContact CG1-CG2 4.08Å; I158-M167 HydrophobicContact CB-CE 4.14Å; I158-M167 HydrophobicContact CG2-CE 3.86Å; I158-I193 HydrophobicContact CD1-CG2 3.68Å; I158-N198 HydrophobicContact CG1-CB 4.2Å; I158-N198 PolarHBondContact N-O 2.73Å; I158-Q224 VanDerWaalsContact C-OE1 3.3Å; I158-Q224 PolarHBondContact O-OE1 3.17Å; I158-L226 HydrophobicContact CG2-CD2 4.33Å |
| 159 | P | 88.6 | Confident | 90.7 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 148.4 | 172.9 | 26.8 | -34.4 | 0 | 0 | 0 | 112.1 | I162 F221 Q222 | P159-I162 HydrophobicContact CG-CB 4.2Å; P159-I162 HydrophobicContact CG-CD1 4.42Å; P159-I162 HydrophobicContact CG-CG1 4.38Å; P159-I162 WeakPolarHBondContact O-CB 3.14Å; P159-I162 WeakPolarHBondContact O-CG2 3.2Å; P159-F221 HydrophobicContact CG-CD1 4.28Å; P159-Q222 HydrophobicContact CB-CB 4.36Å; P159-Q222 HydrophobicContact CG-CB 4.12Å; P159-Q222 HydrophobicContact CG-CG 4.47Å |
| 160 | F | 87.5 | Confident | 91.4 | Very high | 171 Ų | 171 | 45.1 Ų | 45.1 | 75% | 0.75 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 145.2 | 177.5 | 179.3 | -97 | 0 | 0 | 0 | 111.8 | I162 | F160-I162 VanDerWaalsContact C-N 3.29Å; F160-I162 PolarHBondContact O-N 3.16Å |
| 161 | G | 86.1 | Confident | 92 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 52% | 0.515 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 10.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 162 | I | 90.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | trans | -72.6 | 144.2 | -178.5 | -171.6 | 66.7 | 0 | 0 | 0 | 113.2 | I158 P159 F160 S166 M167 I193 F221 | I158-I162 HydrophobicContact CB-CG2 4.43Å; I158-I162 HydrophobicContact CD1-CG2 3.85Å; I158-I162 HydrophobicContact CG1-CG2 4.08Å; P159-I162 HydrophobicContact CG-CB 4.2Å; P159-I162 HydrophobicContact CG-CD1 4.42Å; P159-I162 HydrophobicContact CG-CG1 4.38Å; P159-I162 WeakPolarHBondContact O-CB 3.14Å; P159-I162 WeakPolarHBondContact O-CG2 3.2Å; F160-I162 VanDerWaalsContact C-N 3.29Å; F160-I162 PolarHBondContact O-N 3.16Å; I162-S166 VanDerWaalsContact CD1-OG 3.24Å; I162-S166 WeakPolarHBondContact CD1-OG 3.1Å; I162-M167 HydrophobicContact CG1-CE 4.33Å; I162-I193 HydrophobicContact CG2-CD1 4.19Å; I162-F221 HydrophobicContact CD1-CD1 4.48Å; I162-F221 HydrophobicContact CD1-CE1 3.43Å; I162-F221 VanDerWaalsContact CD1-CE1 3.43Å; I162-F221 HydrophobicContact CD1-CZ 3.62Å; I162-F221 HydrophobicContact CG1-CE1 3.81Å; I162-F221 HydrophobicContact CG1-CZ 4.41Å | ||
| 163 | T | 92.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | trans | -99.1 | 151.7 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 112.5 | E165 S166 M167 | T163-E165 VanDerWaalsContact C-N 3.3Å; T163-E165 PolarHBondContact O-N 2.86Å; T163-S166 PolarHBondContact N-OG 3.29Å; T163-S166 PolarHBondContact O-N 2.91Å; T163-S166 PolarHBondContact O-OG 2.9Å; T163-S166 VanDerWaalsContact O-OG 3.1Å; T163-S166 WeakPolarHBondContact OG1-CB 3.4Å; T163-S166 PolarHBondContact OG1-N 2.88Å; T163-S166 PolarHBondContact OG1-OG 2.82Å; T163-M167 PolarHBondContact O-N 2.85Å; T163-M167 VanDerWaalsContact O-N 3.13Å | ||
| 164 | E | 92.2 | Very high | 92 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 177.7 | -73 | 176 | 165.7 | 0 | 0 | 112 | M168 V191 Q192 I193 | E164-M168 VanDerWaalsContact O-CB 3.24Å; E164-M168 WeakPolarHBondContact O-CB 3.45Å; E164-M168 PolarHBondContact O-N 2.86Å; E164-V191 HydrophobicContact CB-CB 4.16Å; E164-V191 VanDerWaalsContact CD-O 3.29Å; E164-V191 HydrophobicContact CG-CB 4.33Å; E164-V191 HydrophobicContact CG-CG1 4.34Å; E164-Q192 VanDerWaalsContact OE1-CA 3.28Å; E164-Q192 WeakPolarHBondContact OE1-CA 3.32Å; E164-I193 HydrophobicContact CB-CD1 4.31Å; E164-I193 HydrophobicContact CG-CB 4.09Å; E164-I193 HydrophobicContact CG-CD1 3.61Å; E164-I193 HydrophobicContact CG-CG1 3.71Å; E164-I193 PolarHBondContact OE1-N 2.82Å |
| 165 | E | 92.9 | Very high | 91.8 | Very high | 144 Ų | 144 | 44.4 Ų | 44.4 | 67% | 0.673 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.3 | -52 | 174.8 | -176.2 | 176 | -144.7 | 0 | 0 | 112.3 | T163 M167 M168 D169 | T163-E165 VanDerWaalsContact C-N 3.3Å; T163-E165 PolarHBondContact O-N 2.86Å; E165-M167 VanDerWaalsContact C-N 3.31Å; E165-M167 PolarHBondContact O-N 2.88Å; E165-M168 WeakPolarHBondContact O-CB 3.3Å; E165-M168 PolarHBondContact O-N 3.46Å; E165-M168 VanDerWaalsContact O-N 3.11Å; E165-D169 PolarHBondContact O-N 3.01Å |
| 166 | S | 93.6 | Very high | 91.5 | Very high | 39 Ų | 39 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -31.9 | -178.5 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | I162 T163 F170 | I162-S166 VanDerWaalsContact CD1-OG 3.24Å; I162-S166 WeakPolarHBondContact CD1-OG 3.1Å; T163-S166 PolarHBondContact N-OG 3.29Å; T163-S166 PolarHBondContact O-N 2.91Å; T163-S166 PolarHBondContact O-OG 2.9Å; T163-S166 VanDerWaalsContact O-OG 3.1Å; T163-S166 WeakPolarHBondContact OG1-CB 3.4Å; T163-S166 PolarHBondContact OG1-N 2.88Å; T163-S166 PolarHBondContact OG1-OG 2.82Å; S166-F170 VanDerWaalsContact O-CB 3.32Å; S166-F170 WeakPolarHBondContact O-CB 3.39Å; S166-F170 PolarHBondContact O-N 2.81Å; S166-F170 VanDerWaalsContact O-N 3.16Å |
| 167 | M | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -40.2 | 170.6 | -177.9 | 163.2 | -71.5 | 0 | 0 | 112 | I158 I162 T163 E165 F170 F171 V191 A200 L202 F221 | I158-M167 HydrophobicContact CB-CE 4.14Å; I158-M167 HydrophobicContact CG2-CE 3.86Å; I162-M167 HydrophobicContact CG1-CE 4.33Å; T163-M167 PolarHBondContact O-N 2.85Å; T163-M167 VanDerWaalsContact O-N 3.13Å; E165-M167 VanDerWaalsContact C-N 3.31Å; E165-M167 PolarHBondContact O-N 2.88Å; M167-F170 PolarHBondContact O-N 3.25Å; M167-F171 HydrophobicContact CG-CD2 3.93Å; M167-F171 HydrophobicContact CG-CE2 4.08Å; M167-F171 WeakPolarHBondContact O-CD2 3.34Å; M167-F171 PolarHBondContact O-N 2.83Å; M167-F171 VanDerWaalsContact O-N 3.11Å; M167-V191 HydrophobicContact CB-CG1 4.33Å; M167-V191 HydrophobicContact CG-CG1 4.16Å; M167-V191 HydrophobicContact SD-CG1 4.04Å; M167-A200 HydrophobicContact SD-CB 3.65Å; M167-L202 HydrophobicContact SD-CD1 4.04Å; M167-F221 HydrophobicContact CB-CE1 4.27Å; M167-F221 HydrophobicContact CE-CD1 4.08Å; M167-F221 HydrophobicContact CE-CE1 3.85Å |
| 168 | M | 94.2 | Very high | 90.9 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 176.9 | -175.2 | 178 | -62.5 | 0 | 0 | 111.2 | E164 E165 F171 N172 V188 V191 | E164-M168 VanDerWaalsContact O-CB 3.24Å; E164-M168 WeakPolarHBondContact O-CB 3.45Å; E164-M168 PolarHBondContact O-N 2.86Å; E165-M168 WeakPolarHBondContact O-CB 3.3Å; E165-M168 PolarHBondContact O-N 3.46Å; E165-M168 VanDerWaalsContact O-N 3.11Å; M168-F171 PolarHBondContact O-N 3.15Å; M168-N172 WeakPolarHBondContact CG-ND2 3.41Å; M168-N172 VanDerWaalsContact O-CB 3.3Å; M168-N172 WeakPolarHBondContact O-CB 3.43Å; M168-N172 VanDerWaalsContact O-CG 3.25Å; M168-N172 PolarHBondContact O-N 2.82Å; M168-N172 PolarHBondContact O-ND2 2.82Å; M168-N172 VanDerWaalsContact O-ND2 3.16Å; M168-V188 HydrophobicContact CG-CB 4.19Å; M168-V188 HydrophobicContact CG-CG1 3.99Å; M168-V191 HydrophobicContact CB-CG2 3.72Å; M168-V191 HydrophobicContact CE-CG2 4.1Å; M168-V191 HydrophobicContact CG-CG2 4.32Å |
| 169 | D | 93.9 | Very high | 90.5 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 180 | -83.8 | -13.2 | 0 | 0 | 0 | 112.4 | E165 N172 A173 | E165-D169 PolarHBondContact O-N 3.01Å; D169-N172 PolarHBondContact O-N 3.08Å; D169-A173 VanDerWaalsContact O-CB 3.22Å; D169-A173 WeakPolarHBondContact O-CB 3.24Å; D169-A173 PolarHBondContact O-N 3.4Å |
| 170 | F | 94.1 | Very high | 90.2 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -53 | 173.8 | 177.6 | -104.3 | 0 | 0 | 0 | 111.8 | S166 M167 N172 A173 Q174 I219 I220 F221 L226 | S166-F170 VanDerWaalsContact O-CB 3.32Å; S166-F170 WeakPolarHBondContact O-CB 3.39Å; S166-F170 PolarHBondContact O-N 2.81Å; S166-F170 VanDerWaalsContact O-N 3.16Å; M167-F170 PolarHBondContact O-N 3.25Å; F170-N172 PolarHBondContact O-N 3.08Å; F170-A173 PolarHBondContact O-N 2.85Å; F170-Q174 HydrophobicContact CD1-CG 4.47Å; F170-Q174 HydrophobicContact CD2-CG 4.31Å; F170-Q174 HydrophobicContact CE1-CG 4.19Å; F170-Q174 HydrophobicContact CE2-CG 4.03Å; F170-Q174 HydrophobicContact CZ-CG 3.97Å; F170-Q174 VanDerWaalsContact O-CG 3.27Å; F170-Q174 WeakPolarHBondContact O-CG 3.38Å; F170-Q174 PolarHBondContact O-N 2.8Å; F170-I219 HydrophobicContact CE1-CD1 3.96Å; F170-I219 HydrophobicContact CE1-CG1 4.38Å; F170-I219 HydrophobicContact CE1-CG2 4.03Å; F170-I219 HydrophobicContact CZ-CD1 3.67Å; F170-I219 HydrophobicContact CZ-CG1 3.98Å; F170-I219 HydrophobicContact CZ-CG2 4.41Å; F170-I220 WeakPolarHBondContact CZ-O 3.36Å; F170-F221 HydrophobicContact CB-CD2 4.04Å; F170-F221 HydrophobicContact CB-CE2 3.48Å; F170-F221 VanDerWaalsContact CB-CE2 3.48Å; F170-F221 HydrophobicContact CB-CZ 3.91Å; F170-F221 HydrophobicContact CD1-CB 4.38Å; F170-F221 AromaticContact CD1-CD2 3.62Å; F170-F221 HydrophobicContact CD1-CD2 3.62Å; F170-F221 AromaticContact CD1-CE2 3.95Å; F170-F221 HydrophobicContact CD1-CE2 3.95Å; F170-F221 AromaticContact CD1-CG 3.96Å; F170-F221 HydrophobicContact CD1-CG 3.96Å; F170-F221 AromaticContact CD2-CD2 3.44Å; F170-F221 HydrophobicContact CD2-CD2 3.44Å; F170-F221 VanDerWaalsContact CD2-CD2 3.44Å; F170-F221 AromaticContact CD2-CE2 3.63Å; F170-F221 HydrophobicContact CD2-CE2 3.63Å; F170-F221 HydrophobicContact CD2-CG 4.48Å; F170-F221 HydrophobicContact CE1-CB 3.88Å; F170-F221 AromaticContact CE1-CD2 3.83Å; F170-F221 HydrophobicContact CE1-CD2 3.83Å; F170-F221 AromaticContact CE1-CG 3.97Å; F170-F221 HydrophobicContact CE1-CG 3.97Å; F170-F221 AromaticContact CE2-CD2 3.65Å; F170-F221 HydrophobicContact CE2-CD2 3.65Å; F170-F221 HydrophobicContact CE2-CE2 4.31Å; F170-F221 HydrophobicContact CE2-CG 4.48Å; F170-F221 AromaticContact CG-CD2 3.41Å; F170-F221 HydrophobicContact CG-CD2 3.41Å; F170-F221 VanDerWaalsContact CG-CD2 3.41Å; F170-F221 AromaticContact CG-CE2 3.4Å; F170-F221 HydrophobicContact CG-CE2 3.4Å; F170-F221 VanDerWaalsContact CG-CE2 3.4Å; F170-F221 HydrophobicContact CG-CG 4.22Å; F170-F221 HydrophobicContact CG-CZ 4.17Å; F170-F221 HydrophobicContact CZ-CB 3.97Å; F170-F221 AromaticContact CZ-CD2 3.84Å; F170-F221 HydrophobicContact CZ-CD2 3.84Å; F170-F221 HydrophobicContact CZ-CG 4.23Å; F170-L226 HydrophobicContact CE1-CD1 4.46Å |
| 171 | F | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 179.6 | -84.3 | -81.5 | 0 | 0 | 0 | 112.8 | V155 M167 M168 M175 V188 L202 F216 L226 I228 | V155-F171 HydrophobicContact CG1-CZ 4.45Å; V155-F171 HydrophobicContact CG2-CZ 4.4Å; M167-F171 HydrophobicContact CG-CD2 3.93Å; M167-F171 HydrophobicContact CG-CE2 4.08Å; M167-F171 WeakPolarHBondContact O-CD2 3.34Å; M167-F171 PolarHBondContact O-N 2.83Å; M167-F171 VanDerWaalsContact O-N 3.11Å; M168-F171 PolarHBondContact O-N 3.15Å; F171-M175 VanDerWaalsContact O-CB 3.31Å; F171-M175 WeakPolarHBondContact O-CB 3.37Å; F171-M175 WeakPolarHBondContact O-CG 3.48Å; F171-M175 PolarHBondContact O-N 3.45Å; F171-V188 HydrophobicContact CB-CG2 3.88Å; F171-L202 HydrophobicContact CB-CD2 4.14Å; F171-L202 HydrophobicContact CD1-CD2 4.04Å; F171-L202 HydrophobicContact CD2-CD2 3.59Å; F171-L202 HydrophobicContact CE1-CD2 4.35Å; F171-L202 HydrophobicContact CE2-CD2 3.92Å; F171-L202 HydrophobicContact CG-CD2 3.64Å; F171-L202 HydrophobicContact CZ-CD2 4.28Å; F171-F216 HydrophobicContact CD1-CD2 4.41Å; F171-F216 HydrophobicContact CE1-CB 4.21Å; F171-F216 HydrophobicContact CE1-CD2 4.5Å; F171-L226 HydrophobicContact CE2-CD1 3.72Å; F171-L226 HydrophobicContact CZ-CD1 3.69Å; F171-I228 HydrophobicContact CE1-CD1 3.55Å; F171-I228 HydrophobicContact CZ-CD1 3.7Å |
| 172 | N | 93.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 172.8 | -77.4 | -33.7 | 0 | 0 | 0 | 112.1 | M168 D169 F170 R176 N186 P187 V188 | M168-N172 WeakPolarHBondContact CG-ND2 3.41Å; M168-N172 VanDerWaalsContact O-CB 3.3Å; M168-N172 WeakPolarHBondContact O-CB 3.43Å; M168-N172 VanDerWaalsContact O-CG 3.25Å; M168-N172 PolarHBondContact O-N 2.82Å; M168-N172 PolarHBondContact O-ND2 2.82Å; M168-N172 VanDerWaalsContact O-ND2 3.16Å; D169-N172 PolarHBondContact O-N 3.08Å; F170-N172 PolarHBondContact O-N 3.08Å; N172-R176 WeakPolarHBondContact O-CD 3.37Å; N172-R176 WeakPolarHBondContact O-CG 3.33Å; N172-R176 PolarHBondContact O-N 3.22Å; N172-R176 VanDerWaalsContact O-N 3.15Å; N172-N186 PolarHBondContact ND2-ND2 2.8Å; N172-P187 WeakPolarHBondContact OD1-CD 3.43Å; N172-P187 WeakPolarHBondContact OD1-CG 3.43Å; N172-V188 WeakPolarHBondContact OD1-CB 3.3Å; N172-V188 PolarHBondContact OD1-N 3.22Å |
| 173 | A | 92.1 | Very high | 89.2 | Confident | 55 Ų | 55 | 59 Ų | 59 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D169 F170 R176 L177 | D169-A173 VanDerWaalsContact O-CB 3.22Å; D169-A173 WeakPolarHBondContact O-CB 3.24Å; D169-A173 PolarHBondContact O-N 3.4Å; F170-A173 PolarHBondContact O-N 2.85Å; A173-R176 PolarHBondContact O-N 2.81Å; A173-L177 WeakPolarHBondContact O-CB 3.44Å; A173-L177 PolarHBondContact O-N 3.16Å |
| 174 | Q | 90.6 | Very high | 88.4 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 178.7 | -66.1 | -65.3 | -13.9 | 0 | 0 | 112.1 | F170 R176 L177 G178 F216 I219 | F170-Q174 HydrophobicContact CD1-CG 4.47Å; F170-Q174 HydrophobicContact CD2-CG 4.31Å; F170-Q174 HydrophobicContact CE1-CG 4.19Å; F170-Q174 HydrophobicContact CE2-CG 4.03Å; F170-Q174 HydrophobicContact CZ-CG 3.97Å; F170-Q174 VanDerWaalsContact O-CG 3.27Å; F170-Q174 WeakPolarHBondContact O-CG 3.38Å; F170-Q174 PolarHBondContact O-N 2.8Å; Q174-R176 VanDerWaalsContact C-N 3.3Å; Q174-R176 PolarHBondContact O-N 3.29Å; Q174-L177 PolarHBondContact O-N 3.24Å; Q174-G178 PolarHBondContact O-N 3.45Å; Q174-F216 HydrophobicContact CB-CE1 3.97Å; Q174-F216 HydrophobicContact CB-CE2 4.16Å; Q174-F216 HydrophobicContact CB-CZ 3.77Å; Q174-F216 WeakPolarHBondContact O-CZ 3.19Å; Q174-I219 HydrophobicContact CB-CD1 4.34Å; Q174-I219 HydrophobicContact CG-CD1 3.72Å |
| 175 | M | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 174.1 | -76.7 | -73.5 | -75.1 | 0 | 0 | 112.5 | F171 G179 L180 T181 P187 F204 E209 A213 F216 | F171-M175 VanDerWaalsContact O-CB 3.31Å; F171-M175 WeakPolarHBondContact O-CB 3.37Å; F171-M175 WeakPolarHBondContact O-CG 3.48Å; F171-M175 PolarHBondContact O-N 3.45Å; M175-G179 PolarHBondContact O-N 2.95Å; M175-L180 HydrophobicContact CE-CB 3.88Å; M175-L180 PolarHBondContact O-N 3.18Å; M175-L180 HydrophobicContact SD-CB 3.71Å; M175-L180 HydrophobicContact SD-CD1 3.96Å; M175-L180 HydrophobicContact SD-CG 4.48Å; M175-T181 HydrophobicContact CB-CG2 4.11Å; M175-P187 HydrophobicContact CB-CG 3.68Å; M175-P187 HydrophobicContact CE-CB 4.04Å; M175-P187 HydrophobicContact CE-CG 4.35Å; M175-P187 HydrophobicContact CG-CG 3.95Å; M175-F204 HydrophobicContact CE-CE1 4.46Å; M175-E209 HydrophobicContact CE-CB 3.68Å; M175-E209 HydrophobicContact CE-CG 4.07Å; M175-E209 WeakPolarHBondContact CE-O 3.29Å; M175-A213 HydrophobicContact SD-CB 3.9Å; M175-F216 HydrophobicContact CG-CE2 3.96Å; M175-F216 HydrophobicContact SD-CE2 3.72Å |
| 176 | R | 88.8 | Confident | 87.8 | Confident | 138 Ų | 138 | 55.2 Ų | 55.2 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.4 | -45.3 | 175.4 | -71.6 | 169.1 | -179.3 | -150 | 9.4 | 111.8 | N172 A173 Q174 G178 G179 T181 N186 | N172-R176 WeakPolarHBondContact O-CD 3.37Å; N172-R176 WeakPolarHBondContact O-CG 3.33Å; N172-R176 PolarHBondContact O-N 3.22Å; N172-R176 VanDerWaalsContact O-N 3.15Å; A173-R176 PolarHBondContact O-N 2.81Å; Q174-R176 VanDerWaalsContact C-N 3.3Å; Q174-R176 PolarHBondContact O-N 3.29Å; R176-G178 PolarHBondContact O-N 3.2Å; R176-G179 PolarHBondContact O-N 3.38Å; R176-G179 VanDerWaalsContact O-N 3.12Å; R176-T181 HydrophobicContact CG-CG2 3.96Å; R176-N186 PolarHBondContact NH2-OD1 2.76Å |
| 177 | L | 87.9 | Confident | 87.6 | Confident | 148 Ų | 148 | 53.4 Ų | 53.4 | 78% | 0.775 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | -179.3 | -171.3 | 71.7 | 0 | 0 | 0 | 112 | A173 Q174 G179 | A173-L177 WeakPolarHBondContact O-CB 3.44Å; A173-L177 PolarHBondContact O-N 3.16Å; Q174-L177 PolarHBondContact O-N 3.24Å; L177-G179 VanDerWaalsContact C-N 3.26Å; L177-G179 PolarHBondContact O-N 3.25Å |
| 178 | G | 81.4 | Confident | 87.5 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q174 R176 L180 | Q174-G178 PolarHBondContact O-N 3.45Å; R176-G178 PolarHBondContact O-N 3.2Å; G178-L180 PolarHBondContact O-N 3.42Å |
| 179 | G | 83.7 | Confident | 87.4 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 20.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M175 R176 L177 | M175-G179 PolarHBondContact O-N 2.95Å; R176-G179 PolarHBondContact O-N 3.38Å; R176-G179 VanDerWaalsContact O-N 3.12Å; L177-G179 VanDerWaalsContact C-N 3.26Å; L177-G179 PolarHBondContact O-N 3.25Å |
| 180 | L | 82.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | trans | -86.3 | -4.8 | -171.9 | -55.2 | -179.3 | 0 | 0 | 0 | 113.6 | M175 G178 Q212 F216 V246 | M175-L180 HydrophobicContact CE-CB 3.88Å; M175-L180 PolarHBondContact O-N 3.18Å; M175-L180 HydrophobicContact SD-CB 3.71Å; M175-L180 HydrophobicContact SD-CD1 3.96Å; M175-L180 HydrophobicContact SD-CG 4.48Å; G178-L180 PolarHBondContact O-N 3.42Å; L180-Q212 HydrophobicContact CB-CB 4.2Å; L180-Q212 HydrophobicContact CD1-CB 4.17Å; L180-Q212 HydrophobicContact CD2-CB 4.24Å; L180-Q212 HydrophobicContact CG-CB 4.43Å; L180-F216 HydrophobicContact CD1-CE2 3.75Å; L180-F216 HydrophobicContact CD1-CZ 3.64Å; L180-V246 HydrophobicContact CD2-CB 4.1Å; L180-V246 HydrophobicContact CD2-CG1 4.15Å; L180-V246 HydrophobicContact CD2-CG2 3.91Å | ||
| 181 | T | 84.4 | Confident | 87.2 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | trans | -78 | 124.4 | 178.4 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | M175 R176 P187 E209 | M175-T181 HydrophobicContact CB-CG2 4.11Å; R176-T181 HydrophobicContact CG-CG2 3.96Å; T181-P187 HydrophobicContact CG2-CB 4.35Å; T181-P187 HydrophobicContact CG2-CG 3.86Å; T181-E209 WeakPolarHBondContact CA-OE1 3.5Å | ||
| 182 | Q | 78.8 | Confident | 87.1 | Confident | 128 Ų | 128 | 57 Ų | 57 | 60% | 0.598 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -81.9 | -18 | -179.1 | -67.8 | -64.6 | -51.2 | 0 | 0 | 114.3 | E209 | Q182-E209 HydrophobicContact CB-CG 4.27Å; Q182-E209 HydrophobicContact CG-CG 3.88Å; Q182-E209 PolarHBondContact N-OE1 3.01Å |
| 183 | A | 78.4 | Confident | 87.1 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -149.5 | 160.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R205 | A183-R205 PolarHBondContact O-NH1 3.14Å; A183-R205 PolarHBondContact O-NH2 3.16Å |
| 184 | P | 77.6 | Confident | 87.1 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 83% | 0.831 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -58.6 | 150.4 | 169.8 | 25.4 | -35.1 | 0 | 0 | 0 | 111.9 | R205 | P184-R205 PolarHBondContact O-NH1 2.65Š|
| 185 | G | 84.4 | Confident | 86.9 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 99 | -173.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 186 | N | 87.8 | Confident | 86.6 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 33% | 0.326 | 39% | 0.391 | S | S | . | . | trans | -84.6 | 129.5 | -178.7 | -75.6 | -4.1 | 0 | 0 | 0 | 111.5 | N172 R176 R205 | N172-N186 PolarHBondContact ND2-ND2 2.8Å; R176-N186 PolarHBondContact NH2-OD1 2.76Å; N186-R205 WeakPolarHBondContact O-CD 3.43Å | ||
| 187 | P | 87.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -71 | -37.3 | 173.6 | 28.1 | -36.7 | 0 | 0 | 0 | 113.3 | N172 M175 T181 F204 R205 | N172-P187 WeakPolarHBondContact OD1-CD 3.43Å; N172-P187 WeakPolarHBondContact OD1-CG 3.43Å; M175-P187 HydrophobicContact CB-CG 3.68Å; M175-P187 HydrophobicContact CE-CB 4.04Å; M175-P187 HydrophobicContact CE-CG 4.35Å; M175-P187 HydrophobicContact CG-CG 3.95Å; T181-P187 HydrophobicContact CG2-CB 4.35Å; T181-P187 HydrophobicContact CG2-CG 3.86Å; P187-F204 HydrophobicContact CB-CD1 4.31Å; P187-F204 CarbonylContact O-C 3.53Å; P187-F204 WeakPolarHBondContact O-CA 3.23Å; P187-R205 PolarHBondContact O-N 2.85Å |
| 188 | V | 92.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.8 | 173 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | M168 F171 N172 V191 F204 | M168-V188 HydrophobicContact CG-CB 4.19Å; M168-V188 HydrophobicContact CG-CG1 3.99Å; F171-V188 HydrophobicContact CB-CG2 3.88Å; N172-V188 WeakPolarHBondContact OD1-CB 3.3Å; N172-V188 PolarHBondContact OD1-N 3.22Å; V188-V191 HydrophobicContact CG1-CG2 3.95Å; V188-F204 HydrophobicContact CG2-CD1 4.03Å; V188-F204 HydrophobicContact CG2-CE1 3.62Å; V188-F204 HydrophobicContact CG2-CZ 3.97Å |
| 189 | L | 90.2 | Very high | 87.1 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 52% | 0.524 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -34.5 | 179.6 | -64 | -178.3 | 0 | 0 | 0 | 112.8 | E203 R205 | L189-E203 PolarHBondContact N-O 3.15Å; L189-R205 HydrophobicContact CD1-CB 3.75Å; L189-R205 HydrophobicContact CD2-CB 4.11Å; L189-R205 HydrophobicContact CG-CB 3.91Å |
| 190 | A | 90.1 | Very high | 87.6 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 31% | 0.314 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 150.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111 | E203 | A190-E203 HydrophobicContact CB-CB 4.28Å; A190-E203 PolarHBondContact N-O 2.98Å; A190-E203 PolarHBondContact O-N 2.76Å |
| 191 | V | 94.2 | Very high | 88.1 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.5 | 168.2 | -173.3 | 0 | 0 | 0 | 0 | 106.5 | E164 M167 M168 V188 I193 A200 F201 L202 | E164-V191 HydrophobicContact CB-CB 4.16Å; E164-V191 VanDerWaalsContact CD-O 3.29Å; E164-V191 HydrophobicContact CG-CB 4.33Å; E164-V191 HydrophobicContact CG-CG1 4.34Å; M167-V191 HydrophobicContact CB-CG1 4.33Å; M167-V191 HydrophobicContact CG-CG1 4.16Å; M167-V191 HydrophobicContact SD-CG1 4.04Å; M168-V191 HydrophobicContact CB-CG2 3.72Å; M168-V191 HydrophobicContact CE-CG2 4.1Å; M168-V191 HydrophobicContact CG-CG2 4.32Å; V188-V191 HydrophobicContact CG1-CG2 3.95Å; V191-I193 HydrophobicContact CG1-CD1 4.22Å; V191-I193 HydrophobicContact CG1-CG1 3.92Å; V191-A200 HydrophobicContact CG1-CB 4.25Å; V191-F201 CarbonylContact C-O 3.53Å; V191-F201 WeakPolarHBondContact CA-O 3.29Å; V191-L202 HydrophobicContact CG1-CD1 4.12Å; V191-L202 HydrophobicContact CG2-CG 4.27Å |
| 192 | Q | 92.8 | Very high | 88.6 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 112.3 | 175.8 | -61.8 | -171.2 | -55.1 | 0 | 0 | 108.8 | E164 A200 F201 | E164-Q192 VanDerWaalsContact OE1-CA 3.28Å; E164-Q192 WeakPolarHBondContact OE1-CA 3.32Å; Q192-A200 CarbonylContact O-C 3.5Å; Q192-A200 VanDerWaalsContact O-CA 3.25Å; Q192-A200 WeakPolarHBondContact O-CA 3.49Å; Q192-F201 HydrophobicContact CB-CB 4.47Å; Q192-F201 PolarHBondContact N-O 2.83Å; Q192-F201 PolarHBondContact O-N 2.85Å |
| 193 | I | 93.4 | Very high | 89.3 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.5 | -172.6 | -67.1 | 173.7 | 0 | 0 | 0 | 111.7 | I158 I162 E164 V191 Q195 A200 | I158-I193 HydrophobicContact CD1-CG2 3.68Å; I162-I193 HydrophobicContact CG2-CD1 4.19Å; E164-I193 HydrophobicContact CB-CD1 4.31Å; E164-I193 HydrophobicContact CG-CB 4.09Å; E164-I193 HydrophobicContact CG-CD1 3.61Å; E164-I193 HydrophobicContact CG-CG1 3.71Å; E164-I193 PolarHBondContact OE1-N 2.82Å; V191-I193 HydrophobicContact CG1-CD1 4.22Å; V191-I193 HydrophobicContact CG1-CG1 3.92Å; I193-Q195 HydrophobicContact CG2-CG 3.81Å; I193-A200 HydrophobicContact CG1-CB 3.84Å |
| 194 | N | 91.3 | Very high | 89.9 | Confident | 46 Ų | 46 | 54 Ų | 54 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 99 | 166.4 | -172.6 | -90.3 | 0 | 0 | 0 | 109.4 | K197 N198 F199 | N194-K197 VanDerWaalsContact OD1-CB 3.23Å; N194-K197 WeakPolarHBondContact OD1-CB 3.47Å; N194-K197 WeakPolarHBondContact OD1-CG 3.36Å; N194-K197 PolarHBondContact OD1-N 3.47Å; N194-N198 PolarHBondContact O-N 3.49Å; N194-F199 HydrophobicContact CB-CD1 4.45Å; N194-F199 HydrophobicContact CB-CD2 4.03Å; N194-F199 HydrophobicContact CB-CE1 4.13Å; N194-F199 HydrophobicContact CB-CE2 3.63Å; N194-F199 HydrophobicContact CB-CG 4.4Å; N194-F199 HydrophobicContact CB-CZ 3.69Å; N194-F199 PolarHBondContact N-O 3.24Å; N194-F199 PolarHBondContact O-N 2.95Å |
| 195 | Q | 86.1 | Confident | 90.4 | Very high | 104 Ų | 104 | 50.7 Ų | 50.7 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -68.2 | -35.7 | -178.2 | -60.2 | -173.1 | 10.2 | 0 | 0 | 111.9 | I193 K197 N198 | I193-Q195 HydrophobicContact CG2-CG 3.81Å; Q195-K197 PolarHBondContact O-N 2.94Å; Q195-K197 VanDerWaalsContact O-N 3.13Å; Q195-N198 PolarHBondContact O-N 2.91Å; Q195-N198 PolarHBondContact O-OD1 3.43Å |
| 196 | D | 84.5 | Confident | 90.5 | Very high | 144 Ų | 144 | 50 Ų | 50 | 77% | 0.77 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -58.2 | -30 | -179 | -44.5 | -54.6 | 0 | 0 | 0 | 113.6 | ||
| 197 | K | 84.8 | Confident | 90.3 | Very high | 150 Ų | 150 | 47.7 Ų | 47.7 | 65% | 0.652 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -121 | 10.7 | -174.6 | -59.7 | 174.3 | -179.8 | 176.8 | 0 | 113.2 | N194 Q195 F199 | N194-K197 VanDerWaalsContact OD1-CB 3.23Å; N194-K197 WeakPolarHBondContact OD1-CB 3.47Å; N194-K197 WeakPolarHBondContact OD1-CG 3.36Å; N194-K197 PolarHBondContact OD1-N 3.47Å; Q195-K197 PolarHBondContact O-N 2.94Å; Q195-K197 VanDerWaalsContact O-N 3.13Å; K197-F199 VanDerWaalsContact C-N 3.33Å; K197-F199 HydrophobicContact CB-CD1 3.58Å; K197-F199 HydrophobicContact CB-CE1 3.53Å; K197-F199 HydrophobicContact CD-CE1 3.8Å; K197-F199 HydrophobicContact CG-CE1 4.28Å; K197-F199 PolarHBondContact O-N 2.93Å |
| 198 | N | 89 | Confident | 90.2 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 49.6 | 178.9 | -61.7 | -49.8 | 0 | 0 | 0 | 113.8 | N157 I158 N194 Q195 | N157-N198 PolarHBondContact N-O 3.27Å; I158-N198 HydrophobicContact CG1-CB 4.2Å; I158-N198 PolarHBondContact N-O 2.73Å; N194-N198 PolarHBondContact O-N 3.49Å; Q195-N198 PolarHBondContact O-N 2.91Å; Q195-N198 PolarHBondContact O-OD1 3.43Å |
| 199 | F | 93.3 | Very high | 89.9 | Confident | 38 Ų | 38 | 50.1 Ų | 50.1 | 17% | 0.167 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 159.1 | 171 | 72.3 | -108.1 | 0 | 0 | 0 | 113.1 | Y154 V155 N194 K197 F201 | Y154-F199 HydrophobicContact CD2-CB 4.44Å; Y154-F199 HydrophobicContact CD2-CD2 4.22Å; Y154-F199 HydrophobicContact CD2-CG 4.39Å; Y154-F199 HydrophobicContact CE2-CB 3.56Å; Y154-F199 AromaticContact CE2-CD1 3.98Å; Y154-F199 HydrophobicContact CE2-CD1 3.98Å; Y154-F199 AromaticContact CE2-CD2 3.73Å; Y154-F199 HydrophobicContact CE2-CD2 3.73Å; Y154-F199 HydrophobicContact CE2-CE2 4.43Å; Y154-F199 AromaticContact CE2-CG 3.5Å; Y154-F199 HydrophobicContact CE2-CG 3.5Å; Y154-F199 VanDerWaalsContact CE2-CG 3.5Å; Y154-F199 WeakPolarHBondContact OH-CB 3.28Å; V155-F199 CarbonylContact O-C 3.59Å; V155-F199 VanDerWaalsContact O-CA 3.26Å; V155-F199 WeakPolarHBondContact O-CA 3.47Å; N194-F199 HydrophobicContact CB-CD1 4.45Å; N194-F199 HydrophobicContact CB-CD2 4.03Å; N194-F199 HydrophobicContact CB-CE1 4.13Å; N194-F199 HydrophobicContact CB-CE2 3.63Å; N194-F199 HydrophobicContact CB-CG 4.4Å; N194-F199 HydrophobicContact CB-CZ 3.69Å; N194-F199 PolarHBondContact N-O 3.24Å; N194-F199 PolarHBondContact O-N 2.95Å; K197-F199 VanDerWaalsContact C-N 3.33Å; K197-F199 HydrophobicContact CB-CD1 3.58Å; K197-F199 HydrophobicContact CB-CE1 3.53Å; K197-F199 HydrophobicContact CD-CE1 3.8Å; K197-F199 HydrophobicContact CG-CE1 4.28Å; K197-F199 PolarHBondContact O-N 2.93Å; F199-F201 HydrophobicContact CD2-CD2 4.46Å; F199-F201 HydrophobicContact CD2-CE2 4.25Å; F199-F201 HydrophobicContact CE2-CD2 4.09Å; F199-F201 AromaticContact CE2-CE2 3.65Å; F199-F201 HydrophobicContact CE2-CE2 3.65Å; F199-F201 HydrophobicContact CE2-CZ 4.42Å |
| 200 | A | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V155 M167 V191 Q192 I193 L202 | V155-A200 HydrophobicContact CB-CB 4.48Å; V155-A200 PolarHBondContact N-O 2.82Å; V155-A200 PolarHBondContact O-N 3.3Å; M167-A200 HydrophobicContact SD-CB 3.65Å; V191-A200 HydrophobicContact CG1-CB 4.25Å; Q192-A200 CarbonylContact O-C 3.5Å; Q192-A200 VanDerWaalsContact O-CA 3.25Å; Q192-A200 WeakPolarHBondContact O-CA 3.49Å; I193-A200 HydrophobicContact CG1-CB 3.84Å; A200-L202 HydrophobicContact CB-CD1 4.13Å |
| 201 | F | 94.8 | Very high | 89.9 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130 | 159.5 | -71.9 | -75.2 | 0 | 0 | 0 | 109.8 | L153 Y154 V191 Q192 F199 P231 | L153-F201 CarbonylContact O-C 3.49Å; L153-F201 VanDerWaalsContact O-CA 3.3Å; L153-F201 WeakPolarHBondContact O-CA 3.48Å; Y154-F201 AromaticContact CD2-CE1 3.89Å; Y154-F201 HydrophobicContact CD2-CE1 3.89Å; Y154-F201 HydrophobicContact CD2-CZ 4.03Å; Y154-F201 HydrophobicContact CG-CE1 4.46Å; V191-F201 CarbonylContact C-O 3.53Å; V191-F201 WeakPolarHBondContact CA-O 3.29Å; Q192-F201 HydrophobicContact CB-CB 4.47Å; Q192-F201 PolarHBondContact N-O 2.83Å; Q192-F201 PolarHBondContact O-N 2.85Å; F199-F201 HydrophobicContact CD2-CD2 4.46Å; F199-F201 HydrophobicContact CD2-CE2 4.25Å; F199-F201 HydrophobicContact CE2-CD2 4.09Å; F199-F201 AromaticContact CE2-CE2 3.65Å; F199-F201 HydrophobicContact CE2-CE2 3.65Å; F199-F201 HydrophobicContact CE2-CZ 4.42Å; F201-P231 HydrophobicContact CD1-CG 4.32Å; F201-P231 HydrophobicContact CE1-CB 4.09Å; F201-P231 HydrophobicContact CE1-CG 4.21Å |
| 202 | L | 94.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.4 | 171.7 | -78.6 | 60.8 | 0 | 0 | 0 | 108.4 | R152 L153 V155 M167 F171 V191 A200 F204 | R152-L202 CarbonylContact C-O 3.53Å; R152-L202 WeakPolarHBondContact CA-O 3.25Å; L153-L202 PolarHBondContact N-O 2.9Å; L153-L202 PolarHBondContact O-N 2.82Å; V155-L202 HydrophobicContact CB-CD1 4.15Å; V155-L202 HydrophobicContact CG2-CD1 3.65Å; V155-L202 HydrophobicContact CG2-CD2 4.3Å; M167-L202 HydrophobicContact SD-CD1 4.04Å; F171-L202 HydrophobicContact CB-CD2 4.14Å; F171-L202 HydrophobicContact CD1-CD2 4.04Å; F171-L202 HydrophobicContact CD2-CD2 3.59Å; F171-L202 HydrophobicContact CE1-CD2 4.35Å; F171-L202 HydrophobicContact CE2-CD2 3.92Å; F171-L202 HydrophobicContact CG-CD2 3.64Å; F171-L202 HydrophobicContact CZ-CD2 4.28Å; V191-L202 HydrophobicContact CG1-CD1 4.12Å; V191-L202 HydrophobicContact CG2-CG 4.27Å; A200-L202 HydrophobicContact CB-CD1 4.13Å; L202-F204 HydrophobicContact CB-CD2 4.42Å; L202-F204 HydrophobicContact CB-CE2 3.75Å; L202-F204 HydrophobicContact CB-CZ 4.42Å; L202-F204 HydrophobicContact CD2-CE2 4.25Å; L202-F204 HydrophobicContact CD2-CZ 4.12Å |
| 203 | E | 91.8 | Very high | 89.5 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.1 | 168.8 | -173.6 | 172.1 | 160.5 | 0 | 0 | 110 | R148 R151 R152 L189 A190 | R148-E203 IonicContact CZ-OE2 3.54Å; R148-E203 IonicContact NE-OE1 3.21Å; R148-E203 IonicContact NE-OE2 3.5Å; R148-E203 PolarHBondContact NE-OE2 2.9Å; R148-E203 IonicContact NH2-OE2 2.74Å; R148-E203 PolarHBondContact NH2-OE2 3.16Å; R151-E203 IonicContact CZ-OE1 3.9Å; R151-E203 IonicContact NH1-OE1 2.73Å; R151-E203 PolarHBondContact NH1-OE1 3.39Å; R151-E203 IonicContact NH2-OE1 3.8Å; R151-E203 PolarHBondContact NH2-OE1 3.42Å; R151-E203 WeakPolarHBondContact O-CA 3.5Å; R152-E203 HydrophobicContact CG-CB 3.97Å; R152-E203 HydrophobicContact CG-CG 4.03Å; L189-E203 PolarHBondContact N-O 3.15Å; A190-E203 HydrophobicContact CB-CB 4.28Å; A190-E203 PolarHBondContact N-O 2.98Å; A190-E203 PolarHBondContact O-N 2.76Å |
| 204 | F | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 163.5 | 179.8 | -65.8 | -104.5 | 0 | 0 | 0 | 111.2 | R151 L153 M175 P187 V188 L202 E209 T210 A213 | R151-F204 WeakPolarHBondContact CB-O 3.21Å; R151-F204 WeakPolarHBondContact CD-O 3.47Å; R151-F204 PolarHBondContact NH1-O 2.81Å; R151-F204 PolarHBondContact O-N 2.67Å; L153-F204 HydrophobicContact CB-CE2 4.3Å; L153-F204 HydrophobicContact CD1-CE2 3.71Å; L153-F204 HydrophobicContact CD1-CZ 4.01Å; L153-F204 HydrophobicContact CG-CE2 3.9Å; M175-F204 HydrophobicContact CE-CE1 4.46Å; P187-F204 HydrophobicContact CB-CD1 4.31Å; P187-F204 CarbonylContact O-C 3.53Å; P187-F204 WeakPolarHBondContact O-CA 3.23Å; V188-F204 HydrophobicContact CG2-CD1 4.03Å; V188-F204 HydrophobicContact CG2-CE1 3.62Å; V188-F204 HydrophobicContact CG2-CZ 3.97Å; L202-F204 HydrophobicContact CB-CD2 4.42Å; L202-F204 HydrophobicContact CB-CE2 3.75Å; L202-F204 HydrophobicContact CB-CZ 4.42Å; L202-F204 HydrophobicContact CD2-CE2 4.25Å; L202-F204 HydrophobicContact CD2-CZ 4.12Å; F204-E209 HydrophobicContact CD1-CB 4.39Å; F204-T210 WeakPolarHBondContact CB-OG1 3.35Å; F204-T210 HydrophobicContact CD2-CG2 3.99Å; F204-T210 HydrophobicContact CE2-CG2 4.45Å; F204-A213 HydrophobicContact CE1-CB 3.61Å; F204-A213 HydrophobicContact CE2-CB 4.26Å; F204-A213 HydrophobicContact CZ-CB 3.4Å |
| 205 | R | 88 | Confident | 89.2 | Confident | 59 Ų | 59 | 39 Ų | 39 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -74.6 | -30 | 173.5 | 66.1 | -175.4 | 175.5 | -175.4 | -5.6 | 113.9 | R151 A183 P184 N186 P187 L189 E209 | R151-R205 VanDerWaalsContact CD-O 3.25Å; R151-R205 WeakPolarHBondContact CD-O 3.13Å; A183-R205 PolarHBondContact O-NH1 3.14Å; A183-R205 PolarHBondContact O-NH2 3.16Å; P184-R205 PolarHBondContact O-NH1 2.65Å; N186-R205 WeakPolarHBondContact O-CD 3.43Å; P187-R205 PolarHBondContact O-N 2.85Å; L189-R205 HydrophobicContact CD1-CB 3.75Å; L189-R205 HydrophobicContact CD2-CB 4.11Å; L189-R205 HydrophobicContact CG-CB 3.91Å; R205-E209 WeakPolarHBondContact CG-OE2 3.19Å; R205-E209 IonicContact CZ-OE1 2.61Å; R205-E209 IonicContact CZ-OE2 3.73Å; R205-E209 IonicContact NE-OE1 2.76Å; R205-E209 PolarHBondContact NE-OE1 2.85Å; R205-E209 IonicContact NE-OE2 3.51Å; R205-E209 PolarHBondContact NE-OE2 3.47Å; R205-E209 IonicContact NH2-OE1 3.82Å; R205-E209 PolarHBondContact NH2-OE1 2.87Å; R205-E209 IonicContact NH2-OE2 2.67Å |
| 206 | S | 85.6 | Confident | 89.4 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 21% | 0.21 | 17% | 0.169 | C | C | . | . | trans | -129.8 | 148.7 | -179 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | D208 T210 | S206-D208 PolarHBondContact OG-N 2.87Å; S206-D208 PolarHBondContact OG-OD2 3.14Å; S206-T210 PolarHBondContact O-N 2.75Å; S206-T210 VanDerWaalsContact O-N 3.11Å; S206-T210 PolarHBondContact O-OG1 2.95Å | ||
| 207 | V | 84.3 | Confident | 89.7 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | A150 R151 E209 T210 T211 L237 M240 | A150-V207 HydrophobicContact CB-CG1 3.99Å; A150-V207 HydrophobicContact CB-CG2 3.74Å; R151-V207 HydrophobicContact CG-CG2 3.66Å; V207-E209 VanDerWaalsContact C-N 3.35Å; V207-E209 PolarHBondContact O-N 2.99Å; V207-T210 CarbonylContact O-C 3.51Å; V207-T210 WeakPolarHBondContact O-CA 3.47Å; V207-T210 WeakPolarHBondContact O-CB 3.23Å; V207-T210 PolarHBondContact O-N 3.43Å; V207-T210 VanDerWaalsContact O-N 3.07Å; V207-T211 PolarHBondContact O-N 3.11Å; V207-T211 PolarHBondContact O-OG1 3.07Å; V207-L237 HydrophobicContact CG1-CD1 4.21Å; V207-L237 HydrophobicContact CG2-CD1 4.2Å; V207-M240 HydrophobicContact CB-CE 4.3Å; V207-M240 HydrophobicContact CB-SD 4.03Å; V207-M240 HydrophobicContact CG1-SD 3.62Å |
| 208 | D | 85 | Confident | 89.9 | Confident | 52 Ų | 52 | 20.7 Ų | 20.7 | 28% | 0.278 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.5 | -57.4 | -89.5 | 0 | 0 | 0 | 111.8 | S206 T210 T211 Q212 M240 | S206-D208 PolarHBondContact OG-N 2.87Å; S206-D208 PolarHBondContact OG-OD2 3.14Å; D208-T210 VanDerWaalsContact C-N 3.28Å; D208-T210 PolarHBondContact O-N 2.83Å; D208-T211 WeakPolarHBondContact O-CB 3.28Å; D208-T211 PolarHBondContact O-N 3.1Å; D208-T211 VanDerWaalsContact O-N 3.13Å; D208-Q212 WeakPolarHBondContact O-CG 3.42Å; D208-Q212 PolarHBondContact O-N 3.24Å; D208-M240 WeakPolarHBondContact OD1-CE 3.41Å; D208-M240 VanDerWaalsContact OD2-CE 3.3Å; D208-M240 WeakPolarHBondContact OD2-CE 2.99Å |
| 209 | E | 88.5 | Confident | 90 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.8 | -33 | 174.9 | -68.8 | -177.4 | 140.7 | 0 | 0 | 111.8 | M175 T181 Q182 F204 R205 V207 A213 | M175-E209 HydrophobicContact CE-CB 3.68Å; M175-E209 HydrophobicContact CE-CG 4.07Å; M175-E209 WeakPolarHBondContact CE-O 3.29Å; T181-E209 WeakPolarHBondContact CA-OE1 3.5Å; Q182-E209 HydrophobicContact CB-CG 4.27Å; Q182-E209 HydrophobicContact CG-CG 3.88Å; Q182-E209 PolarHBondContact N-OE1 3.01Å; F204-E209 HydrophobicContact CD1-CB 4.39Å; R205-E209 WeakPolarHBondContact CG-OE2 3.19Å; R205-E209 IonicContact CZ-OE1 2.61Å; R205-E209 IonicContact CZ-OE2 3.73Å; R205-E209 IonicContact NE-OE1 2.76Å; R205-E209 PolarHBondContact NE-OE1 2.85Å; R205-E209 IonicContact NE-OE2 3.51Å; R205-E209 PolarHBondContact NE-OE2 3.47Å; R205-E209 IonicContact NH2-OE1 3.82Å; R205-E209 PolarHBondContact NH2-OE1 2.87Å; R205-E209 IonicContact NH2-OE2 2.67Å; V207-E209 VanDerWaalsContact C-N 3.35Å; V207-E209 PolarHBondContact O-N 2.99Å; E209-A213 VanDerWaalsContact O-CB 3.27Å; E209-A213 WeakPolarHBondContact O-CB 3.39Å; E209-A213 PolarHBondContact O-N 2.96Å |
| 210 | T | 90.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 171.6 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | R151 L153 F204 S206 V207 D208 | R151-T210 WeakPolarHBondContact CA-OG1 3.23Å; R151-T210 PolarHBondContact O-OG1 3.07Å; L153-T210 HydrophobicContact CD1-CG2 4.37Å; L153-T210 HydrophobicContact CD2-CG2 3.69Å; L153-T210 HydrophobicContact CG-CG2 3.61Å; F204-T210 WeakPolarHBondContact CB-OG1 3.35Å; F204-T210 HydrophobicContact CD2-CG2 3.99Å; F204-T210 HydrophobicContact CE2-CG2 4.45Å; S206-T210 PolarHBondContact O-N 2.75Å; S206-T210 VanDerWaalsContact O-N 3.11Å; S206-T210 PolarHBondContact O-OG1 2.95Å; V207-T210 CarbonylContact O-C 3.51Å; V207-T210 WeakPolarHBondContact O-CA 3.47Å; V207-T210 WeakPolarHBondContact O-CB 3.23Å; V207-T210 PolarHBondContact O-N 3.43Å; V207-T210 VanDerWaalsContact O-N 3.07Å; D208-T210 VanDerWaalsContact C-N 3.28Å; D208-T210 PolarHBondContact O-N 2.83Å |
| 211 | T | 88.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67 | -47.2 | 175 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | V207 D208 A213 M214 R230 S241 N243 | V207-T211 PolarHBondContact O-N 3.11Å; V207-T211 PolarHBondContact O-OG1 3.07Å; D208-T211 WeakPolarHBondContact O-CB 3.28Å; D208-T211 PolarHBondContact O-N 3.1Å; D208-T211 VanDerWaalsContact O-N 3.13Å; T211-A213 VanDerWaalsContact C-N 3.32Å; T211-A213 PolarHBondContact O-N 3.27Å; T211-M214 VanDerWaalsContact O-CB 3.28Å; T211-M214 WeakPolarHBondContact O-CB 3.17Å; T211-M214 PolarHBondContact O-N 3.04Å; T211-R230 PolarHBondContact OG1-NH2 3.34Å; T211-S241 VanDerWaalsContact CG2-O 3.23Å; T211-S241 WeakPolarHBondContact CG2-O 3.26Å; T211-N243 WeakPolarHBondContact CG2-O 3.38Å |
| 212 | Q | 88.6 | Confident | 89.4 | Confident | 29 Ų | 29 | 25.5 Ų | 25.5 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.9 | -32.4 | 179.4 | -59.3 | -57.9 | -10.3 | 0 | 0 | 112.1 | L180 D208 M214 A215 S245 | L180-Q212 HydrophobicContact CB-CB 4.2Å; L180-Q212 HydrophobicContact CD1-CB 4.17Å; L180-Q212 HydrophobicContact CD2-CB 4.24Å; L180-Q212 HydrophobicContact CG-CB 4.43Å; D208-Q212 WeakPolarHBondContact O-CG 3.42Å; D208-Q212 PolarHBondContact O-N 3.24Å; Q212-M214 PolarHBondContact O-N 2.8Å; Q212-A215 WeakPolarHBondContact O-CB 3.2Å; Q212-A215 PolarHBondContact O-N 3.18Å; Q212-S245 PolarHBondContact NE2-OG 3.22Å; Q212-S245 VanDerWaalsContact OE1-N 3.17Å; Q212-S245 PolarHBondContact OE1-OG 3.03Å |
| 213 | A | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -64.3 | -16.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L153 M175 F204 E209 T211 A215 F216 | L153-A213 HydrophobicContact CD1-CB 3.7Å; M175-A213 HydrophobicContact SD-CB 3.9Å; F204-A213 HydrophobicContact CE1-CB 3.61Å; F204-A213 HydrophobicContact CE2-CB 4.26Å; F204-A213 HydrophobicContact CZ-CB 3.4Å; E209-A213 VanDerWaalsContact O-CB 3.27Å; E209-A213 WeakPolarHBondContact O-CB 3.39Å; E209-A213 PolarHBondContact O-N 2.96Å; T211-A213 VanDerWaalsContact C-N 3.32Å; T211-A213 PolarHBondContact O-N 3.27Å; A213-A215 PolarHBondContact O-N 3.17Å; A213-F216 HydrophobicContact CB-CD2 4.47Å; A213-F216 PolarHBondContact O-N 3.13Å |
| 214 | M | 90.1 | Very high | 88.7 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -63.3 | -21.7 | 167.6 | -69.3 | -75.4 | -59.3 | 0 | 0 | 112.7 | L153 T211 Q212 F216 D217 I228 P244 | L153-M214 HydrophobicContact CD2-CG 4.02Å; L153-M214 HydrophobicContact CD2-SD 3.54Å; L153-M214 VanDerWaalsContact CD2-SD 3.54Å; T211-M214 VanDerWaalsContact O-CB 3.28Å; T211-M214 WeakPolarHBondContact O-CB 3.17Å; T211-M214 PolarHBondContact O-N 3.04Å; Q212-M214 PolarHBondContact O-N 2.8Å; M214-F216 PolarHBondContact O-N 3.2Å; M214-D217 PolarHBondContact O-N 2.84Å; M214-D217 VanDerWaalsContact O-N 3.16Å; M214-I228 HydrophobicContact SD-CG2 4.04Å; M214-P244 HydrophobicContact CB-CG 4.28Å |
| 215 | A | 87.4 | Confident | 88.5 | Confident | 14 Ų | 14 | 31 Ų | 31 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -65.5 | -15.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q212 A213 D217 P244 V246 V248 V251 | Q212-A215 WeakPolarHBondContact O-CB 3.2Å; Q212-A215 PolarHBondContact O-N 3.18Å; A213-A215 PolarHBondContact O-N 3.17Å; A215-D217 VanDerWaalsContact C-N 3.31Å; A215-P244 HydrophobicContact CB-CB 3.78Å; A215-P244 HydrophobicContact CB-CG 4.13Å; A215-V246 WeakPolarHBondContact CB-O 3.32Å; A215-V248 HydrophobicContact CB-CG2 3.83Å; A215-V251 WeakPolarHBondContact O-CG1 3.27Å |
| 216 | F | 90.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -87.6 | 10.2 | 174.8 | -60.6 | -56.3 | 0 | 0 | 0 | 113.5 | F171 Q174 M175 L180 A213 M214 G218 I219 I228 V248 | F171-F216 HydrophobicContact CD1-CD2 4.41Å; F171-F216 HydrophobicContact CE1-CB 4.21Å; F171-F216 HydrophobicContact CE1-CD2 4.5Å; Q174-F216 HydrophobicContact CB-CE1 3.97Å; Q174-F216 HydrophobicContact CB-CE2 4.16Å; Q174-F216 HydrophobicContact CB-CZ 3.77Å; Q174-F216 WeakPolarHBondContact O-CZ 3.19Å; M175-F216 HydrophobicContact CG-CE2 3.96Å; M175-F216 HydrophobicContact SD-CE2 3.72Å; L180-F216 HydrophobicContact CD1-CE2 3.75Å; L180-F216 HydrophobicContact CD1-CZ 3.64Å; A213-F216 HydrophobicContact CB-CD2 4.47Å; A213-F216 PolarHBondContact O-N 3.13Å; M214-F216 PolarHBondContact O-N 3.2Å; F216-G218 PolarHBondContact O-N 3.31Å; F216-I219 HydrophobicContact CB-CB 4.17Å; F216-I219 HydrophobicContact CB-CD1 4.39Å; F216-I219 HydrophobicContact CB-CG2 4.07Å; F216-I219 HydrophobicContact CD1-CD1 3.78Å; F216-I219 HydrophobicContact CE1-CD1 4.41Å; F216-I219 HydrophobicContact CG-CD1 4.29Å; F216-I219 VanDerWaalsContact O-CB 3.24Å; F216-I219 WeakPolarHBondContact O-CB 3.18Å; F216-I219 WeakPolarHBondContact O-CG2 3.24Å; F216-I219 PolarHBondContact O-N 2.94Å; F216-I228 VanDerWaalsContact C-CD1 3.47Å; F216-I228 HydrophobicContact CB-CD1 3.75Å; F216-I228 VanDerWaalsContact O-CD1 3.3Å; F216-I228 WeakPolarHBondContact O-CD1 3.22Å; F216-V248 HydrophobicContact CD1-CB 4.5Å; F216-V248 HydrophobicContact CD1-CG1 4.23Å; F216-V248 HydrophobicContact CD1-CG2 4.04Å; F216-V248 HydrophobicContact CE1-CB 4.4Å; F216-V248 HydrophobicContact CE1-CG1 3.92Å; F216-V248 HydrophobicContact CE1-CG2 3.76Å; F216-V248 HydrophobicContact CZ-CG2 4.47Å |
| 217 | D | 91.2 | Very high | 89 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 121.7 | 173.7 | -175.1 | 40.5 | 0 | 0 | 0 | 111.2 | M214 A215 K227 I228 R229 V251 V252 S253 T254 V255 | M214-D217 PolarHBondContact O-N 2.84Å; M214-D217 VanDerWaalsContact O-N 3.16Å; A215-D217 VanDerWaalsContact C-N 3.31Å; D217-K227 WeakPolarHBondContact OD1-CA 3.46Å; D217-I228 HydrophobicContact CB-CB 4.13Å; D217-I228 PolarHBondContact OD1-N 3.2Å; D217-R229 IonicContact OD1-CZ 2.69Å; D217-R229 IonicContact OD1-NH1 3.72Å; D217-R229 PolarHBondContact OD1-NH1 3.42Å; D217-R229 IonicContact OD2-CZ 4Å; D217-R229 IonicContact OD2-NH1 2.88Å; D217-R229 PolarHBondContact OD2-NH1 2.96Å; D217-R229 IonicContact OD2-NH2 2.83Å; D217-V251 WeakPolarHBondContact O-CG1 3.5Å; D217-V252 CarbonylContact O-C 3.59Å; D217-S253 WeakPolarHBondContact O-CA 3.3Å; D217-T254 VanDerWaalsContact CG-OG1 3.23Å; D217-T254 PolarHBondContact OD1-OG1 3.48Å; D217-T254 WeakPolarHBondContact OD2-CA 3.44Å; D217-T254 PolarHBondContact OD2-N 3.26Å; D217-T254 PolarHBondContact OD2-OG1 2.87Å; D217-V255 PolarHBondContact OD2-N 2.9Å |
| 218 | G | 87.7 | Confident | 89.5 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 2.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F216 S225 L226 | F216-G218 PolarHBondContact O-N 3.31Å; G218-S225 WeakPolarHBondContact O-CB 3.27Å; G218-L226 VanDerWaalsContact CA-O 3.24Å; G218-L226 WeakPolarHBondContact CA-O 3.11Å; G218-L226 PolarHBondContact N-O 3.11Å |
| 219 | I | 91.8 | Very high | 89.8 | Confident | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | trans | -58.6 | 138.3 | 175.6 | -163.8 | 171.5 | 0 | 0 | 0 | 111.1 | F170 Q174 F216 S225 L226 V251 | F170-I219 HydrophobicContact CE1-CD1 3.96Å; F170-I219 HydrophobicContact CE1-CG1 4.38Å; F170-I219 HydrophobicContact CE1-CG2 4.03Å; F170-I219 HydrophobicContact CZ-CD1 3.67Å; F170-I219 HydrophobicContact CZ-CG1 3.98Å; F170-I219 HydrophobicContact CZ-CG2 4.41Å; Q174-I219 HydrophobicContact CB-CD1 4.34Å; Q174-I219 HydrophobicContact CG-CD1 3.72Å; F216-I219 HydrophobicContact CB-CB 4.17Å; F216-I219 HydrophobicContact CB-CD1 4.39Å; F216-I219 HydrophobicContact CB-CG2 4.07Å; F216-I219 HydrophobicContact CD1-CD1 3.78Å; F216-I219 HydrophobicContact CE1-CD1 4.41Å; F216-I219 HydrophobicContact CG-CD1 4.29Å; F216-I219 VanDerWaalsContact O-CB 3.24Å; F216-I219 WeakPolarHBondContact O-CB 3.18Å; F216-I219 WeakPolarHBondContact O-CG2 3.24Å; F216-I219 PolarHBondContact O-N 2.94Å; I219-S225 WeakPolarHBondContact O-CA 3.31Å; I219-L226 HydrophobicContact CG2-CB 4.32Å; I219-L226 HydrophobicContact CG2-CD1 4.11Å; I219-L226 HydrophobicContact CG2-CG 4.41Å; I219-L226 PolarHBondContact O-N 3.14Å; I219-V251 HydrophobicContact CB-CG1 4.44Å; I219-V251 HydrophobicContact CB-CG2 4.21Å; I219-V251 HydrophobicContact CG1-CG2 4.11Å | ||
| 220 | I | 90.1 | Very high | 89.8 | Confident | 107 Ų | 107 | 32.2 Ų | 32.2 | 55% | 0.549 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 122.4 | 179.1 | -58.9 | 172.4 | 0 | 0 | 0 | 109.4 | F170 Q224 | F170-I220 WeakPolarHBondContact CZ-O 3.36Å; I220-Q224 WeakPolarHBondContact CA-O 3.22Å |
| 221 | F | 91.3 | Very high | 89.7 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 122.4 | 174.3 | -174.8 | -133.9 | 0 | 0 | 0 | 109.6 | P159 I162 M167 F170 G223 Q224 L226 | P159-F221 HydrophobicContact CG-CD1 4.28Å; I162-F221 HydrophobicContact CD1-CD1 4.48Å; I162-F221 HydrophobicContact CD1-CE1 3.43Å; I162-F221 VanDerWaalsContact CD1-CE1 3.43Å; I162-F221 HydrophobicContact CD1-CZ 3.62Å; I162-F221 HydrophobicContact CG1-CE1 3.81Å; I162-F221 HydrophobicContact CG1-CZ 4.41Å; M167-F221 HydrophobicContact CB-CE1 4.27Å; M167-F221 HydrophobicContact CE-CD1 4.08Å; M167-F221 HydrophobicContact CE-CE1 3.85Å; F170-F221 HydrophobicContact CB-CD2 4.04Å; F170-F221 HydrophobicContact CB-CE2 3.48Å; F170-F221 VanDerWaalsContact CB-CE2 3.48Å; F170-F221 HydrophobicContact CB-CZ 3.91Å; F170-F221 HydrophobicContact CD1-CB 4.38Å; F170-F221 AromaticContact CD1-CD2 3.62Å; F170-F221 HydrophobicContact CD1-CD2 3.62Å; F170-F221 AromaticContact CD1-CE2 3.95Å; F170-F221 HydrophobicContact CD1-CE2 3.95Å; F170-F221 AromaticContact CD1-CG 3.96Å; F170-F221 HydrophobicContact CD1-CG 3.96Å; F170-F221 AromaticContact CD2-CD2 3.44Å; F170-F221 HydrophobicContact CD2-CD2 3.44Å; F170-F221 VanDerWaalsContact CD2-CD2 3.44Å; F170-F221 AromaticContact CD2-CE2 3.63Å; F170-F221 HydrophobicContact CD2-CE2 3.63Å; F170-F221 HydrophobicContact CD2-CG 4.48Å; F170-F221 HydrophobicContact CE1-CB 3.88Å; F170-F221 AromaticContact CE1-CD2 3.83Å; F170-F221 HydrophobicContact CE1-CD2 3.83Å; F170-F221 AromaticContact CE1-CG 3.97Å; F170-F221 HydrophobicContact CE1-CG 3.97Å; F170-F221 AromaticContact CE2-CD2 3.65Å; F170-F221 HydrophobicContact CE2-CD2 3.65Å; F170-F221 HydrophobicContact CE2-CE2 4.31Å; F170-F221 HydrophobicContact CE2-CG 4.48Å; F170-F221 AromaticContact CG-CD2 3.41Å; F170-F221 HydrophobicContact CG-CD2 3.41Å; F170-F221 VanDerWaalsContact CG-CD2 3.41Å; F170-F221 AromaticContact CG-CE2 3.4Å; F170-F221 HydrophobicContact CG-CE2 3.4Å; F170-F221 VanDerWaalsContact CG-CE2 3.4Å; F170-F221 HydrophobicContact CG-CG 4.22Å; F170-F221 HydrophobicContact CG-CZ 4.17Å; F170-F221 HydrophobicContact CZ-CB 3.97Å; F170-F221 AromaticContact CZ-CD2 3.84Å; F170-F221 HydrophobicContact CZ-CD2 3.84Å; F170-F221 HydrophobicContact CZ-CG 4.23Å; F221-G223 PolarHBondContact O-N 3.2Å; F221-G223 VanDerWaalsContact O-N 3.08Å; F221-Q224 PolarHBondContact N-O 3.47Å; F221-Q224 PolarHBondContact O-N 3.07Å; F221-L226 HydrophobicContact CB-CD1 3.73Å; F221-L226 HydrophobicContact CB-CD2 4.21Å; F221-L226 HydrophobicContact CB-CG 3.89Å; F221-L226 HydrophobicContact CD1-CD1 4.1Å; F221-L226 HydrophobicContact CD1-CD2 4.4Å; F221-L226 HydrophobicContact CG-CD1 4.25Å |
| 222 | Q | 87.9 | Confident | 89.4 | Confident | 123 Ų | 123 | 41.9 Ų | 41.9 | 58% | 0.575 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 34.6 | -173.6 | -55.2 | -174.8 | -18.6 | 0 | 0 | 114.2 | P159 | P159-Q222 HydrophobicContact CB-CB 4.36Å; P159-Q222 HydrophobicContact CG-CB 4.12Å; P159-Q222 HydrophobicContact CG-CG 4.47Å |
| 223 | G | 84.6 | Confident | 89 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 62% | 0.619 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 3.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F221 | F221-G223 PolarHBondContact O-N 3.2Å; F221-G223 VanDerWaalsContact O-N 3.08Å |
| 224 | Q | 86.8 | Confident | 88.5 | Confident | 73 Ų | 73 | 45 Ų | 45 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.1 | 171.8 | -62.9 | -165.9 | 3.6 | 0 | 0 | 111.6 | N157 I158 I220 F221 L226 | N157-Q224 PolarHBondContact O-OE1 3.41Å; I158-Q224 VanDerWaalsContact C-OE1 3.3Å; I158-Q224 PolarHBondContact O-OE1 3.17Å; I220-Q224 WeakPolarHBondContact CA-O 3.22Å; F221-Q224 PolarHBondContact N-O 3.47Å; F221-Q224 PolarHBondContact O-N 3.07Å; Q224-L226 PolarHBondContact O-N 3.16Å |
| 225 | S | 89.4 | Confident | 87.6 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 114.5 | 171.6 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | N157 G218 I219 K278 | N157-S225 PolarHBondContact ND2-O 3.26Å; G218-S225 WeakPolarHBondContact O-CB 3.27Å; I219-S225 WeakPolarHBondContact O-CA 3.31Å; S225-K278 PolarHBondContact OG-NZ 3.41Å |
| 226 | L | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -71.2 | 147.9 | -178.2 | -58.5 | -177.9 | 0 | 0 | 0 | 112 | V155 N157 I158 F170 F171 G218 I219 F221 Q224 | V155-L226 HydrophobicContact CG1-CB 4.02Å; V155-L226 HydrophobicContact CG1-CD1 4.04Å; V155-L226 HydrophobicContact CG1-CD2 4.4Å; V155-L226 HydrophobicContact CG1-CG 4.39Å; N157-L226 WeakPolarHBondContact O-CD2 3.24Å; I158-L226 HydrophobicContact CG2-CD2 4.33Å; F170-L226 HydrophobicContact CE1-CD1 4.46Å; F171-L226 HydrophobicContact CE2-CD1 3.72Å; F171-L226 HydrophobicContact CZ-CD1 3.69Å; G218-L226 VanDerWaalsContact CA-O 3.24Å; G218-L226 WeakPolarHBondContact CA-O 3.11Å; G218-L226 PolarHBondContact N-O 3.11Å; I219-L226 HydrophobicContact CG2-CB 4.32Å; I219-L226 HydrophobicContact CG2-CD1 4.11Å; I219-L226 HydrophobicContact CG2-CG 4.41Å; I219-L226 PolarHBondContact O-N 3.14Å; F221-L226 HydrophobicContact CB-CD1 3.73Å; F221-L226 HydrophobicContact CB-CD2 4.21Å; F221-L226 HydrophobicContact CB-CG 3.89Å; F221-L226 HydrophobicContact CD1-CD1 4.1Å; F221-L226 HydrophobicContact CD1-CD2 4.4Å; F221-L226 HydrophobicContact CG-CD1 4.25Å; Q224-L226 PolarHBondContact O-N 3.16Å | ||
| 227 | K | 91.2 | Very high | 85.7 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 103.6 | 179.6 | -66.8 | -176.2 | 178.7 | 178.5 | 0 | 111.2 | V155 G156 N157 D217 T254 | V155-K227 WeakPolarHBondContact CA-O 3.24Å; G156-K227 PolarHBondContact N-O 3.33Å; G156-K227 PolarHBondContact O-N 3.24Å; N157-K227 HydrophobicContact CB-CD 4.14Å; N157-K227 HydrophobicContact CB-CG 4.07Å; D217-K227 WeakPolarHBondContact OD1-CA 3.46Å; K227-T254 HydrophobicContact CG-CG2 4.16Å |
| 228 | I | 93.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.9 | -170.1 | -52.2 | -169.4 | 0 | 0 | 0 | 111.1 | L153 Y154 V155 F171 M214 F216 D217 | L153-I228 HydrophobicContact CB-CG2 4.36Å; L153-I228 HydrophobicContact CD1-CG2 3.7Å; L153-I228 HydrophobicContact CG-CG2 4.41Å; Y154-I228 CarbonylContact O-C 3.59Å; Y154-I228 WeakPolarHBondContact O-CA 3.46Å; V155-I228 HydrophobicContact CG2-CG1 4.18Å; V155-I228 HydrophobicContact CG2-CG2 4.4Å; F171-I228 HydrophobicContact CE1-CD1 3.55Å; F171-I228 HydrophobicContact CZ-CD1 3.7Å; M214-I228 HydrophobicContact SD-CG2 4.04Å; F216-I228 VanDerWaalsContact C-CD1 3.47Å; F216-I228 HydrophobicContact CB-CD1 3.75Å; F216-I228 VanDerWaalsContact O-CD1 3.3Å; F216-I228 WeakPolarHBondContact O-CD1 3.22Å; D217-I228 HydrophobicContact CB-CB 4.13Å; D217-I228 PolarHBondContact OD1-N 3.2Å |
| 229 | R | 91.4 | Very high | 83.1 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 28% | 0.275 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162.2 | -178 | -60.2 | -66.5 | 179.2 | -87.1 | -2.7 | 111.3 | Y154 D217 T254 V255 | Y154-R229 HydrophobicContact CD1-CB 4.25Å; Y154-R229 PolarHBondContact N-O 3.11Å; Y154-R229 PolarHBondContact O-N 2.7Å; D217-R229 IonicContact OD1-CZ 2.69Å; D217-R229 IonicContact OD1-NH1 3.72Å; D217-R229 PolarHBondContact OD1-NH1 3.42Å; D217-R229 IonicContact OD2-CZ 4Å; D217-R229 IonicContact OD2-NH1 2.88Å; D217-R229 PolarHBondContact OD2-NH1 2.96Å; D217-R229 IonicContact OD2-NH2 2.83Å; R229-T254 PolarHBondContact NH1-OG1 3.22Å; R229-T254 PolarHBondContact NH2-OG1 3.41Å; R229-V255 VanDerWaalsContact NH2-CG2 3.27Å |
| 230 | R | 89.9 | Confident | 81.7 | Confident | 40 Ų | 40 | 68 Ų | 68 | 15% | 0.151 | 38% | 0.375 | C | S | . | . | trans | -65.2 | 143.4 | 160.1 | -64.8 | -63.4 | -177.5 | 169 | 0.7 | 109.8 | A150 T211 Y234 | A150-R230 PolarHBondContact O-NH1 3.15Å; T211-R230 PolarHBondContact OG1-NH2 3.34Å; R230-Y234 HydrophobicContact CB-CD1 3.92Å; R230-Y234 HydrophobicContact CB-CG 3.9Å; R230-Y234 HydrophobicContact CG-CD1 3.89Å; R230-Y234 HydrophobicContact CG-CD2 4.41Å; R230-Y234 HydrophobicContact CG-CE1 4.02Å; R230-Y234 HydrophobicContact CG-CG 4.1Å | ||
| 231 | P | 87.4 | Confident | 80.5 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | trans | -56.8 | 156 | 169.2 | -25.9 | 35.9 | 0 | 0 | 0 | 112.4 | R152 F201 D233 Y234 | R152-P231 HydrophobicContact CB-CG 3.88Å; R152-P231 WeakPolarHBondContact O-CD 3.39Å; F201-P231 HydrophobicContact CD1-CG 4.32Å; F201-P231 HydrophobicContact CE1-CB 4.09Å; F201-P231 HydrophobicContact CE1-CG 4.21Å; P231-D233 WeakPolarHBondContact CB-OD1 3.36Å; P231-D233 PolarHBondContact O-N 2.85Å; P231-Y234 WeakPolarHBondContact O-CB 3.22Å; P231-Y234 PolarHBondContact O-N 3.32Å; P231-Y234 VanDerWaalsContact O-N 3.16Å | ||
| 232 | H | 81.5 | Confident | 79.4 | Confident | 201 Ų | 201 | 70.5 Ų | 70.5 | 93% | 0.931 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.1 | 180 | -168.9 | 60.9 | 0 | 0 | 0 | 113.3 | ||
| 233 | D | 80.4 | Confident | 78.8 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 34% | 0.342 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 6 | 175.9 | 64.5 | -55.5 | 0 | 0 | 0 | 113.8 | Q149 R152 P231 | Q149-D233 WeakPolarHBondContact CG-OD2 3.49Å; Q149-D233 PolarHBondContact NE2-O 2.92Å; Q149-D233 VanDerWaalsContact NE2-O 3.17Å; Q149-D233 PolarHBondContact NE2-OD2 2.76Å; R152-D233 IonicContact NH1-OD1 3.11Å; R152-D233 IonicContact NH1-OD2 3.82Å; P231-D233 WeakPolarHBondContact CB-OD1 3.36Å; P231-D233 PolarHBondContact O-N 2.85Å |
| 234 | Y | 81.8 | Confident | 78.3 | Confident | 30 Ų | 30 | 70 Ų | 70 | 12% | 0.118 | 38% | 0.383 | C | S | . | . | trans | -71.5 | 135.9 | 177.9 | 173 | -95.4 | 0 | 0 | 0 | 112.4 | A150 R230 P231 P236 E242 | A150-Y234 HydrophobicContact CB-CE2 4.13Å; R230-Y234 HydrophobicContact CB-CD1 3.92Å; R230-Y234 HydrophobicContact CB-CG 3.9Å; R230-Y234 HydrophobicContact CG-CD1 3.89Å; R230-Y234 HydrophobicContact CG-CD2 4.41Å; R230-Y234 HydrophobicContact CG-CE1 4.02Å; R230-Y234 HydrophobicContact CG-CG 4.1Å; P231-Y234 WeakPolarHBondContact O-CB 3.22Å; P231-Y234 PolarHBondContact O-N 3.32Å; P231-Y234 VanDerWaalsContact O-N 3.16Å; Y234-P236 HydrophobicContact CE1-CB 4.17Å; Y234-E242 WeakPolarHBondContact CE1-OE1 3.3Å | ||
| 235 | Q | 71.4 | Confident | 77.3 | Confident | 144 Ų | 144 | 71.1 Ų | 71.1 | 67% | 0.673 | 40% | 0.399 | S | S | * | . | trans | -117.3 | 129.3 | 171.3 | -62.2 | -177.2 | 1.5 | 0 | 0 | 109.3 | L237 | Q235-L237 PolarHBondContact O-N 2.91Š| ||
| 236 | P | 69.1 | Low | 76.4 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 130.8 | -179.4 | 26.3 | -33.4 | 0 | 0 | 0 | 111.7 | Y234 E242 | Y234-P236 HydrophobicContact CE1-CB 4.17Å; P236-E242 HydrophobicContact CB-CG 4.3Å |
| 237 | L | 69.1 | Low | 75.3 | Confident | 63 Ų | 63 | 78.6 Ų | 78.6 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 125.5 | 178 | -65.4 | -179.4 | 0 | 0 | 0 | 110.7 | A150 V207 Q235 G239 M240 | A150-L237 HydrophobicContact CB-CD1 3.94Å; A150-L237 HydrophobicContact CB-CG 4.25Å; V207-L237 HydrophobicContact CG1-CD1 4.21Å; V207-L237 HydrophobicContact CG2-CD1 4.2Å; Q235-L237 PolarHBondContact O-N 2.91Å; L237-G239 PolarHBondContact O-N 3.38Å; L237-G239 VanDerWaalsContact O-N 3.15Å; L237-M240 HydrophobicContact CB-SD 4.45Å; L237-M240 HydrophobicContact CD1-SD 4.06Å; L237-M240 PolarHBondContact O-N 3.28Å; L237-M240 VanDerWaalsContact O-N 3.15Å |
| 238 | P | 61.7 | Low | 74.5 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 89% | 0.89 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 119 | -179.2 | -26.6 | 35.1 | 0 | 0 | 0 | 112.8 | ||
| 239 | G | 61.5 | Low | 73.6 | Confident | 81 Ų | 81 | 81.9 Ų | 81.9 | 84% | 0.835 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -4.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L237 | L237-G239 PolarHBondContact O-N 3.38Å; L237-G239 VanDerWaalsContact O-N 3.15Å |
| 240 | M | 63.6 | Low | 73 | Confident | 57 Ų | 57 | 81.7 Ų | 81.7 | 28% | 0.281 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -93.1 | 144.9 | 166.1 | -80.2 | -176 | 162 | 0 | 0 | 111.2 | V207 D208 L237 | V207-M240 HydrophobicContact CB-CE 4.3Å; V207-M240 HydrophobicContact CB-SD 4.03Å; V207-M240 HydrophobicContact CG1-SD 3.62Å; D208-M240 WeakPolarHBondContact OD1-CE 3.41Å; D208-M240 VanDerWaalsContact OD2-CE 3.3Å; D208-M240 WeakPolarHBondContact OD2-CE 2.99Å; L237-M240 HydrophobicContact CB-SD 4.45Å; L237-M240 HydrophobicContact CD1-SD 4.06Å; L237-M240 PolarHBondContact O-N 3.28Å; L237-M240 VanDerWaalsContact O-N 3.15Å |
| 241 | S | 63.9 | Low | 72.6 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | trans | -77.4 | 131.4 | 170.7 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | T211 | T211-S241 VanDerWaalsContact CG2-O 3.23Å; T211-S241 WeakPolarHBondContact CG2-O 3.26Å | ||
| 242 | E | 69.3 | Low | 72.6 | Confident | 100 Ų | 100 | 81.3 Ų | 81.3 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -77.5 | -29.6 | 176.8 | -61.2 | -168.1 | 88.2 | 0 | 0 | 113.2 | Y234 P236 | Y234-E242 WeakPolarHBondContact CE1-OE1 3.3Å; P236-E242 HydrophobicContact CB-CG 4.3Å |
| 243 | N | 74.1 | Confident | 72.8 | Confident | 129 Ų | 129 | 73.5 Ų | 73.5 | 69% | 0.69 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -81.2 | 144.5 | 178.9 | -63.3 | -36.6 | 0 | 0 | 0 | 110.9 | T211 | T211-N243 WeakPolarHBondContact CG2-O 3.38Š|
| 244 | P | 75.4 | Confident | 73.1 | Confident | 44 Ų | 44 | 71 Ų | 71 | 29% | 0.286 | 44% | 0.438 | S | S | . | . | trans | -63.5 | 144.3 | 168.6 | 28.3 | -33.7 | 0 | 0 | 0 | 110.5 | M214 A215 | M214-P244 HydrophobicContact CB-CG 4.28Å; A215-P244 HydrophobicContact CB-CB 3.78Å; A215-P244 HydrophobicContact CB-CG 4.13Å | ||
| 245 | S | 65.5 | Low | 73.3 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 67% | 0.671 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -93.4 | 1.3 | 177.7 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | Q212 | Q212-S245 PolarHBondContact NE2-OG 3.22Å; Q212-S245 VanDerWaalsContact OE1-N 3.17Å; Q212-S245 PolarHBondContact OE1-OG 3.03Å |
| 246 | V | 69.8 | Low | 73.9 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 37% | 0.37 | 42% | 0.423 | S | S | . | . | trans | -124.4 | 134.5 | -176 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | L180 A215 | L180-V246 HydrophobicContact CD2-CB 4.1Å; L180-V246 HydrophobicContact CD2-CG1 4.15Å; L180-V246 HydrophobicContact CD2-CG2 3.91Å; A215-V246 WeakPolarHBondContact CB-O 3.32Å | ||
| 247 | Y | 69.2 | Low | 74.5 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -94 | 127.4 | 167 | 173.9 | -104 | 0 | 0 | 0 | 109.2 | P249 L287 V310 | Y247-P249 WeakPolarHBondContact O-CD 3.22Å; Y247-L287 PolarHBondContact OH-O 3.07Å; Y247-V310 HydrophobicContact CE1-CG2 4.23Å; Y247-V310 HydrophobicContact CE2-CG2 4.29Å; Y247-V310 VanDerWaalsContact OH-CG2 3.29Å; Y247-V310 WeakPolarHBondContact OH-CG2 3.4Å |
| 248 | V | 75.8 | Confident | 75 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 13% | 0.127 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 116.7 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | A215 F216 G250 V251 | A215-V248 HydrophobicContact CB-CG2 3.83Å; F216-V248 HydrophobicContact CD1-CB 4.5Å; F216-V248 HydrophobicContact CD1-CG1 4.23Å; F216-V248 HydrophobicContact CD1-CG2 4.04Å; F216-V248 HydrophobicContact CE1-CB 4.4Å; F216-V248 HydrophobicContact CE1-CG1 3.92Å; F216-V248 HydrophobicContact CE1-CG2 3.76Å; F216-V248 HydrophobicContact CZ-CG2 4.47Å; V248-G250 PolarHBondContact O-N 2.79Å; V248-V251 HydrophobicContact CB-CB 4.17Å; V248-V251 HydrophobicContact CB-CG2 3.99Å; V248-V251 HydrophobicContact CG1-CB 4.32Å; V248-V251 HydrophobicContact CG1-CG2 3.63Å; V248-V251 PolarHBondContact O-N 2.73Å; V248-V251 VanDerWaalsContact O-N 3.15Å |
| 249 | P | 74.8 | Confident | 75.9 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 73% | 0.727 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 131 | 179.9 | -25.7 | 35.4 | 0 | 0 | 0 | 112.4 | Y247 V251 | Y247-P249 WeakPolarHBondContact O-CD 3.22Å; P249-V251 VanDerWaalsContact C-N 3.33Å |
| 250 | G | 76.9 | Confident | 76.9 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 72% | 0.722 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -4.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V248 | V248-G250 PolarHBondContact O-N 2.79Š|
| 251 | V | 83.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 9% | 0.085 | 38% | 0.381 | C | S | . | . | trans | -96 | 130.2 | 171.6 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | A215 D217 I219 V248 P249 | A215-V251 WeakPolarHBondContact O-CG1 3.27Å; D217-V251 WeakPolarHBondContact O-CG1 3.5Å; I219-V251 HydrophobicContact CB-CG1 4.44Å; I219-V251 HydrophobicContact CB-CG2 4.21Å; I219-V251 HydrophobicContact CG1-CG2 4.11Å; V248-V251 HydrophobicContact CB-CB 4.17Å; V248-V251 HydrophobicContact CB-CG2 3.99Å; V248-V251 HydrophobicContact CG1-CB 4.32Å; V248-V251 HydrophobicContact CG1-CG2 3.63Å; V248-V251 PolarHBondContact O-N 2.73Å; V248-V251 VanDerWaalsContact O-N 3.15Å; P249-V251 VanDerWaalsContact C-N 3.33Å | ||
| 252 | V | 86.1 | Confident | 79 | Confident | 25 Ų | 25 | 59 Ų | 59 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | trans | -115.4 | 109.5 | -177.2 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | D217 T254 L287 F290 | D217-V252 CarbonylContact O-C 3.59Å; V252-T254 PolarHBondContact O-N 3.29Å; V252-L287 HydrophobicContact CG1-CB 3.64Å; V252-L287 HydrophobicContact CG2-CB 4.05Å; V252-F290 HydrophobicContact CG1-CB 3.67Å | ||
| 253 | S | 86.7 | Confident | 80 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -51.4 | 134.2 | -177.8 | 169.7 | 0 | 0 | 0 | 0 | 112.2 | D217 V255 K288 A289 F290 | D217-S253 WeakPolarHBondContact O-CA 3.3Å; S253-V255 VanDerWaalsContact C-N 3.27Å; S253-V255 PolarHBondContact OG-N 2.98Å; S253-V255 VanDerWaalsContact OG-N 3.15Å; S253-V255 PolarHBondContact OG-O 3.21Å; S253-K288 WeakPolarHBondContact CB-O 3.33Å; S253-K288 PolarHBondContact N-O 3.27Å; S253-K288 VanDerWaalsContact N-O 3.07Å; S253-A289 CarbonylContact O-C 3.53Å; S253-A289 VanDerWaalsContact O-CA 3.27Å; S253-A289 WeakPolarHBondContact O-CA 3.03Å; S253-F290 PolarHBondContact O-N 3.12Å |
| 254 | T | 86.6 | Confident | 80.9 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -85 | -2.4 | 175.7 | 72.3 | 0 | 0 | 0 | 0 | 112.8 | D217 K227 R229 V252 F290 | D217-T254 VanDerWaalsContact CG-OG1 3.23Å; D217-T254 PolarHBondContact OD1-OG1 3.48Å; D217-T254 WeakPolarHBondContact OD2-CA 3.44Å; D217-T254 PolarHBondContact OD2-N 3.26Å; D217-T254 PolarHBondContact OD2-OG1 2.87Å; K227-T254 HydrophobicContact CG-CG2 4.16Å; R229-T254 PolarHBondContact NH1-OG1 3.22Å; R229-T254 PolarHBondContact NH2-OG1 3.41Å; V252-T254 PolarHBondContact O-N 3.29Å; T254-F290 WeakPolarHBondContact CA-O 3.19Å |
| 255 | V | 85.1 | Confident | 81.7 | Confident | 69 Ų | 69 | 48.3 Ų | 48.3 | 42% | 0.418 | 30% | 0.302 | S | S | . | . | trans | -101.9 | 121.7 | 162.8 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | D217 R229 S253 P257 A289 | D217-V255 PolarHBondContact OD2-N 2.9Å; R229-V255 VanDerWaalsContact NH2-CG2 3.27Å; S253-V255 VanDerWaalsContact C-N 3.27Å; S253-V255 PolarHBondContact OG-N 2.98Å; S253-V255 VanDerWaalsContact OG-N 3.15Å; S253-V255 PolarHBondContact OG-O 3.21Å; V255-P257 WeakPolarHBondContact O-CD 3.44Å; V255-A289 VanDerWaalsContact O-CB 3.3Å; V255-A289 WeakPolarHBondContact O-CB 3.28Å | ||
| 256 | V | 85.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | trans | -96.6 | 105.9 | 166.8 | -171.5 | 0 | 0 | 0 | 0 | 108 | K262 A289 N291 F306 E308 | V256-K262 HydrophobicContact CG1-CD 4.23Å; V256-K262 HydrophobicContact CG1-CG 3.83Å; V256-K262 PolarHBondContact O-NZ 3.49Å; V256-A289 HydrophobicContact CB-CB 4.24Å; V256-A289 HydrophobicContact CG1-CB 4.37Å; V256-A289 HydrophobicContact CG2-CB 3.85Å; V256-N291 HydrophobicContact CG2-CB 3.92Å; V256-F306 HydrophobicContact CB-CB 4.12Å; V256-F306 HydrophobicContact CG1-CB 4.2Å; V256-F306 HydrophobicContact CG2-CB 4.04Å; V256-E308 HydrophobicContact CG1-CB 4.18Å | ||
| 257 | P | 81.1 | Confident | 83.8 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | trans | -62.7 | 159.5 | -179.5 | 29.2 | -35.6 | 0 | 0 | 0 | 111.1 | V255 S259 K262 | V255-P257 WeakPolarHBondContact O-CD 3.44Å; P257-S259 PolarHBondContact O-N 3.28Å; P257-K262 WeakPolarHBondContact O-CD 3.42Å | ||
| 258 | D | 79 | Confident | 84.9 | Confident | 119 Ų | 119 | 37.4 Ų | 37.4 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | trans | -79 | 103.2 | 173.1 | -70.4 | -29.6 | 0 | 0 | 0 | 109.5 | K262 | D258-K262 IonicContact OD1-NZ 3.22Å; D258-K262 PolarHBondContact OD1-NZ 2.88Å | ||
| 259 | S | 82 | Confident | 85.6 | Confident | 28 Ų | 28 | 36.5 Ų | 36.5 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | trans | -133.1 | 168.5 | -177.7 | 81.9 | 0 | 0 | 0 | 0 | 111.3 | P257 H261 K262 E308 | P257-S259 PolarHBondContact O-N 3.28Å; S259-H261 PolarHBondContact O-N 3.4Å; S259-H261 PolarHBondContact OG-N 2.81Å; S259-H261 VanDerWaalsContact OG-N 3.17Å; S259-K262 WeakPolarHBondContact O-CB 3.35Å; S259-K262 PolarHBondContact O-N 3.26Å; S259-K262 PolarHBondContact OG-N 2.57Å; S259-K262 VanDerWaalsContact OG-N 3.14Å; S259-E308 VanDerWaalsContact CB-OE2 3.32Å; S259-E308 WeakPolarHBondContact CB-OE2 3.49Å; S259-E308 PolarHBondContact OG-OE2 3.04Å | ||
| 260 | A | 81 | Confident | 86.2 | Confident | 67 Ų | 67 | 35.4 Ų | 35.4 | 55% | 0.554 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R342 | A260-R342 PolarHBondContact O-NH1 3.17Š|
| 261 | H | 82.8 | Confident | 86.7 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 5 | -178.7 | -55 | -67.3 | 0 | 0 | 0 | 112.6 | S259 L263 E308 Q317 E321 | S259-H261 PolarHBondContact O-N 3.4Å; S259-H261 PolarHBondContact OG-N 2.81Å; S259-H261 VanDerWaalsContact OG-N 3.17Å; H261-L263 PolarHBondContact O-N 2.89Å; H261-E308 HydrophobicContact CB-CG 4.3Å; H261-Q317 PolarHBondContact CD2-OE1 3.14Å; H261-E321 IonicContact ND1-OE2 2.67Å; H261-E321 PolarHBondContact ND1-OE2 3.34Å; H261-E321 VanDerWaalsContact ND1-OE2 3.09Å |
| 262 | K | 88.9 | Confident | 87 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | trans | -69.3 | 118 | 173.7 | -179.1 | 177.4 | -162.6 | 146.9 | 0 | 109.4 | V256 P257 D258 S259 F306 A343 | V256-K262 HydrophobicContact CG1-CD 4.23Å; V256-K262 HydrophobicContact CG1-CG 3.83Å; V256-K262 PolarHBondContact O-NZ 3.49Å; P257-K262 WeakPolarHBondContact O-CD 3.42Å; D258-K262 IonicContact OD1-NZ 3.22Å; D258-K262 PolarHBondContact OD1-NZ 2.88Å; S259-K262 WeakPolarHBondContact O-CB 3.35Å; S259-K262 PolarHBondContact O-N 3.26Å; S259-K262 PolarHBondContact OG-N 2.57Å; S259-K262 VanDerWaalsContact OG-N 3.14Å; K262-F306 HydrophobicContact CD-CD1 4.26Å; K262-F306 VanDerWaalsContact CE-CD1 3.48Å; K262-F306 HydrophobicContact CG-CD1 4.24Å; K262-A343 HydrophobicContact CB-CB 4.19Å; K262-A343 HydrophobicContact CD-CB 3.96Å; K262-A343 HydrophobicContact CG-CB 3.79Å; K262-A343 WeakPolarHBondContact O-CB 3.46Å; K262-A343 PolarHBondContact O-N 3.42Å | ||
| 263 | L | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 144.6 | 171.6 | -66.3 | -179.6 | 0 | 0 | 0 | 111.2 | H261 I265 F306 C307 Y309 E321 A324 I325 R342 | H261-L263 PolarHBondContact O-N 2.89Å; L263-I265 HydrophobicContact CB-CD1 4.11Å; L263-F306 VanDerWaalsContact O-CA 3.23Å; L263-F306 WeakPolarHBondContact O-CA 3.23Å; L263-F306 WeakPolarHBondContact O-CD1 3.46Å; L263-C307 PolarHBondContact N-O 3.39Å; L263-C307 PolarHBondContact O-N 2.84Å; L263-C307 VanDerWaalsContact O-N 3.14Å; L263-Y309 HydrophobicContact CD1-CD2 4.26Å; L263-Y309 HydrophobicContact CD1-CE2 3.73Å; L263-E321 HydrophobicContact CD1-CG 4.35Å; L263-E321 HydrophobicContact CD2-CG 3.72Å; L263-E321 HydrophobicContact CG-CG 4.17Å; L263-A324 HydrophobicContact CD1-CB 4.21Å; L263-I325 HydrophobicContact CD2-CD1 3.71Å; L263-I325 HydrophobicContact CD2-CG1 3.73Å; L263-R342 HydrophobicContact CD2-CG 4.45Å |
| 264 | F | 92.8 | Very high | 87.2 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 21% | 0.211 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.2 | 163.5 | 169 | -93.4 | 0 | 0 | 0 | 108.8 | Y304 F306 L339 V340 Q341 A343 | F264-Y304 HydrophobicContact CD2-CD2 4.29Å; F264-Y304 AromaticContact CE2-CD2 3.63Å; F264-Y304 HydrophobicContact CE2-CD2 3.63Å; F264-Y304 HydrophobicContact CE2-CE2 4.47Å; F264-Y304 AromaticContact CE2-CG 3.91Å; F264-Y304 HydrophobicContact CE2-CG 3.91Å; F264-Y304 HydrophobicContact CZ-CG 4.45Å; F264-F306 HydrophobicContact CB-CD1 4.23Å; F264-F306 HydrophobicContact CB-CE1 4.1Å; F264-F306 HydrophobicContact CD2-CD1 4.35Å; F264-F306 AromaticContact CD2-CE1 3.76Å; F264-F306 HydrophobicContact CD2-CE1 3.76Å; F264-F306 HydrophobicContact CD2-CZ 4.04Å; F264-F306 HydrophobicContact CG-CE1 4.43Å; F264-L339 HydrophobicContact CE1-CD2 4.32Å; F264-V340 WeakPolarHBondContact O-CA 3.25Å; F264-Q341 HydrophobicContact CB-CG 4.41Å; F264-Q341 HydrophobicContact CD1-CG 4.04Å; F264-Q341 PolarHBondContact N-O 3.38Å; F264-Q341 PolarHBondContact O-N 2.88Å; F264-Q341 VanDerWaalsContact O-N 3.14Å; F264-A343 HydrophobicContact CB-CB 4.37Å |
| 265 | I | 92.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 93.6 | 178.4 | -57.7 | 92.7 | 0 | 0 | 0 | 107.4 | L263 L268 L281 Y304 A305 C307 L339 V340 | L263-I265 HydrophobicContact CB-CD1 4.11Å; I265-L268 HydrophobicContact CG2-CD1 4.12Å; I265-L268 HydrophobicContact CG2-CD2 4.07Å; I265-L268 HydrophobicContact CG2-CG 4.07Å; I265-L281 HydrophobicContact CD1-CD1 4.36Å; I265-L281 HydrophobicContact CD1-CD2 4.37Å; I265-L281 HydrophobicContact CG1-CD2 4.18Å; I265-Y304 CarbonylContact O-C 3.55Å; I265-Y304 WeakPolarHBondContact O-CA 3.41Å; I265-Y304 WeakPolarHBondContact O-CB 3.48Å; I265-A305 HydrophobicContact CB-CB 4.47Å; I265-A305 PolarHBondContact N-O 3.15Å; I265-A305 PolarHBondContact O-N 3.15Å; I265-C307 HydrophobicContact CD1-CB 4.31Å; I265-L339 CarbonylContact C-O 3.51Å; I265-L339 WeakPolarHBondContact CA-O 3.29Å; I265-V340 HydrophobicContact CB-CG2 4.37Å; I265-V340 HydrophobicContact CG1-CG1 4.32Å; I265-V340 HydrophobicContact CG1-CG2 4.08Å; I265-V340 HydrophobicContact CG2-CG2 4.02Å |
| 266 | G | 91.8 | Very high | 87.5 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 171.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L268 L338 L339 | G266-L268 VanDerWaalsContact C-N 3.3Å; G266-L268 PolarHBondContact O-N 2.99Å; G266-L338 WeakPolarHBondContact O-CA 3.48Å; G266-L339 PolarHBondContact N-O 3.3Å; G266-L339 PolarHBondContact O-N 3.46Å |
| 267 | G | 88.4 | Confident | 87.8 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | trans | 79.1 | 6.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G303 K336 | G267-G303 PolarHBondContact N-O 3.34Å; G267-G303 VanDerWaalsContact N-O 3.1Å; G267-K336 WeakPolarHBondContact O-CB 3.41Å; G267-K336 WeakPolarHBondContact O-CD 3.46Å | ||
| 268 | L | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -62 | 139.4 | 177.4 | -66.1 | 165.5 | 0 | 0 | 0 | 110.7 | I265 G266 L272 V277 L292 G303 A305 K336 L338 | I265-L268 HydrophobicContact CG2-CD1 4.12Å; I265-L268 HydrophobicContact CG2-CD2 4.07Å; I265-L268 HydrophobicContact CG2-CG 4.07Å; G266-L268 VanDerWaalsContact C-N 3.3Å; G266-L268 PolarHBondContact O-N 2.99Å; L268-L272 HydrophobicContact CD2-CD1 4.48Å; L268-V277 HydrophobicContact CD1-CG1 3.97Å; L268-V277 HydrophobicContact CD1-CG2 4.32Å; L268-V277 HydrophobicContact CD2-CG1 4.08Å; L268-V277 HydrophobicContact CD2-CG2 4.15Å; L268-L292 HydrophobicContact CD1-CD1 3.81Å; L268-G303 PolarHBondContact N-O 3Å; L268-G303 WeakPolarHBondContact O-CA 3.3Å; L268-A305 HydrophobicContact CD1-CB 3.77Å; L268-K336 PolarHBondContact O-NZ 2.84Å; L268-L338 HydrophobicContact CD2-CD1 4.43Å; L268-L338 HydrophobicContact CD2-CD2 3.79Å; L268-L338 HydrophobicContact CG-CD2 4.28Å | ||
| 269 | P | 89.3 | Confident | 88.7 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | trans | -59.3 | 141.5 | 164.1 | -22.4 | 31.7 | 0 | 0 | 0 | 111.5 | Y271 L272 L333 | P269-Y271 VanDerWaalsContact C-N 3.25Å; P269-Y271 HydrophobicContact CB-CD1 3.85Å; P269-Y271 HydrophobicContact CB-CD2 4.19Å; P269-Y271 HydrophobicContact CB-CE1 3.4Å; P269-Y271 HydrophobicContact CB-CE2 3.76Å; P269-Y271 HydrophobicContact CB-CG 4.22Å; P269-Y271 HydrophobicContact CG-CE1 4.31Å; P269-Y271 HydrophobicContact CG-CE2 4.36Å; P269-Y271 PolarHBondContact O-N 2.92Å; P269-L272 HydrophobicContact CB-CD1 4.42Å; P269-L272 HydrophobicContact CB-CG 4.22Å; P269-L272 HydrophobicContact CG-CD1 4.16Å; P269-L272 HydrophobicContact CG-CG 4.44Å; P269-L272 PolarHBondContact O-N 2.67Å; P269-L333 HydrophobicContact CG-CG 4.22Å; P269-L333 VanDerWaalsContact CG-O 3.31Å; P269-L333 WeakPolarHBondContact CG-O 3.5Å | ||
| 270 | N | 88.5 | Confident | 89 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13.6 | -175.9 | 58.3 | -33.3 | 0 | 0 | 0 | 113.6 | S301 | N270-S301 WeakPolarHBondContact CB-O 3.3Š|
| 271 | Y | 87.7 | Confident | 89.4 | Confident | 147 Ų | 147 | 43.5 Ų | 43.5 | 58% | 0.576 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -4.6 | 174 | 58.7 | -107.3 | 0 | 0 | 0 | 113.9 | P269 | P269-Y271 VanDerWaalsContact C-N 3.25Å; P269-Y271 HydrophobicContact CB-CD1 3.85Å; P269-Y271 HydrophobicContact CB-CD2 4.19Å; P269-Y271 HydrophobicContact CB-CE1 3.4Å; P269-Y271 HydrophobicContact CB-CE2 3.76Å; P269-Y271 HydrophobicContact CB-CG 4.22Å; P269-Y271 HydrophobicContact CG-CE1 4.31Å; P269-Y271 HydrophobicContact CG-CE2 4.36Å; P269-Y271 PolarHBondContact O-N 2.92Å |
| 272 | L | 88.8 | Confident | 89.7 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | trans | -82.1 | 131.7 | 176 | -66.3 | -179.2 | 0 | 0 | 0 | 111.2 | L268 P269 V277 L333 | L268-L272 HydrophobicContact CD2-CD1 4.48Å; P269-L272 HydrophobicContact CB-CD1 4.42Å; P269-L272 HydrophobicContact CB-CG 4.22Å; P269-L272 HydrophobicContact CG-CD1 4.16Å; P269-L272 HydrophobicContact CG-CG 4.44Å; P269-L272 PolarHBondContact O-N 2.67Å; L272-V277 HydrophobicContact CB-CG2 3.94Å; L272-V277 HydrophobicContact CD1-CG2 4.29Å; L272-L333 HydrophobicContact CD1-CD2 3.56Å; L272-L333 HydrophobicContact CD1-CG 4.29Å | ||
| 273 | N | 88.6 | Confident | 89.6 | Confident | 97 Ų | 97 | 48.5 Ų | 48.5 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | trans | -86.4 | 164.2 | 175.8 | -71.8 | -22 | 0 | 0 | 0 | 111.8 | D275 Q276 V277 | N273-D275 VanDerWaalsContact C-N 3.27Å; N273-D275 PolarHBondContact O-N 3.41Å; N273-Q276 PolarHBondContact O-N 2.85Å; N273-V277 PolarHBondContact O-N 2.89Å | ||
| 274 | D | 88.6 | Confident | 89.3 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -53.2 | -46.4 | -174.4 | -42.4 | -106.3 | 0 | 0 | 0 | 111.1 | V277 K278 F290 L292 K294 | D274-V277 PolarHBondContact O-N 3.47Å; D274-K278 WeakPolarHBondContact O-CG 3.5Å; D274-K278 PolarHBondContact O-N 2.83Å; D274-F290 HydrophobicContact CB-CE1 4.14Å; D274-L292 HydrophobicContact CB-CD2 4.43Å; D274-K294 VanDerWaalsContact CG-NZ 3.35Å; D274-K294 VanDerWaalsContact OD1-CE 3.23Å; D274-K294 WeakPolarHBondContact OD1-CE 3.46Å; D274-K294 IonicContact OD1-NZ 3.32Å; D274-K294 PolarHBondContact OD1-NZ 2.98Å; D274-K294 VanDerWaalsContact OD2-CE 3.28Å; D274-K294 WeakPolarHBondContact OD2-CE 3.38Å; D274-K294 IonicContact OD2-NZ 2.6Å; D274-K294 PolarHBondContact OD2-NZ 3.07Å |
| 275 | D | 88.1 | Confident | 89 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.5 | -32.1 | -174 | -52.8 | -63.3 | 0 | 0 | 0 | 113.2 | N273 V277 K278 E279 | N273-D275 VanDerWaalsContact C-N 3.27Å; N273-D275 PolarHBondContact O-N 3.41Å; D275-V277 VanDerWaalsContact C-N 3.31Å; D275-V277 PolarHBondContact O-N 3.44Å; D275-K278 PolarHBondContact O-N 3.33Å; D275-K278 WeakPolarHBondContact OD1-CE 3.39Å; D275-K278 IonicContact OD1-NZ 2.8Å; D275-K278 PolarHBondContact OD1-NZ 3.42Å; D275-E279 WeakPolarHBondContact O-CB 3.46Å; D275-E279 PolarHBondContact O-N 2.88Å |
| 276 | Q | 90.2 | Very high | 88.7 | Confident | 96 Ų | 96 | 51.5 Ų | 51.5 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 172.3 | -65.6 | 173.4 | -46.7 | 0 | 0 | 111.5 | N273 L280 | N273-Q276 PolarHBondContact O-N 2.85Å; Q276-L280 PolarHBondContact O-N 3.16Å |
| 277 | V | 90.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -76.7 | -36.7 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | L268 L272 N273 D274 D275 L281 F290 | L268-V277 HydrophobicContact CD1-CG1 3.97Å; L268-V277 HydrophobicContact CD1-CG2 4.32Å; L268-V277 HydrophobicContact CD2-CG1 4.08Å; L268-V277 HydrophobicContact CD2-CG2 4.15Å; L272-V277 HydrophobicContact CB-CG2 3.94Å; L272-V277 HydrophobicContact CD1-CG2 4.29Å; N273-V277 PolarHBondContact O-N 2.89Å; D274-V277 PolarHBondContact O-N 3.47Å; D275-V277 VanDerWaalsContact C-N 3.31Å; D275-V277 PolarHBondContact O-N 3.44Å; V277-L281 HydrophobicContact CG1-CD1 4.09Å; V277-L281 WeakPolarHBondContact O-CB 3.13Å; V277-L281 VanDerWaalsContact O-CG 3.29Å; V277-L281 WeakPolarHBondContact O-CG 3.49Å; V277-L281 PolarHBondContact O-N 3.07Å; V277-L281 VanDerWaalsContact O-N 3.08Å; V277-F290 HydrophobicContact CB-CE2 4.21Å; V277-F290 HydrophobicContact CB-CZ 3.79Å; V277-F290 HydrophobicContact CG1-CE2 3.66Å; V277-F290 HydrophobicContact CG1-CZ 3.69Å |
| 278 | K | 89.8 | Confident | 88.5 | Confident | 26 Ų | 26 | 54 Ų | 54 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 169.8 | -70 | 172.1 | -160 | 163.8 | 0 | 111.2 | S225 D274 D275 L281 T282 L287 F290 | S225-K278 PolarHBondContact OG-NZ 3.41Å; D274-K278 WeakPolarHBondContact O-CG 3.5Å; D274-K278 PolarHBondContact O-N 2.83Å; D275-K278 PolarHBondContact O-N 3.33Å; D275-K278 WeakPolarHBondContact OD1-CE 3.39Å; D275-K278 IonicContact OD1-NZ 2.8Å; D275-K278 PolarHBondContact OD1-NZ 3.42Å; K278-L281 PolarHBondContact O-N 2.81Å; K278-T282 VanDerWaalsContact O-CB 3.32Å; K278-T282 WeakPolarHBondContact O-CB 3.27Å; K278-T282 PolarHBondContact O-N 3.44Å; K278-T282 PolarHBondContact O-OG1 2.91Å; K278-L287 HydrophobicContact CB-CD1 4.29Å; K278-L287 HydrophobicContact CG-CD1 4.46Å; K278-F290 HydrophobicContact CD-CD1 4.19Å; K278-F290 HydrophobicContact CG-CB 4.29Å; K278-F290 HydrophobicContact CG-CD1 3.5Å; K278-F290 VanDerWaalsContact CG-CD1 3.5Å; K278-F290 HydrophobicContact CG-CD2 4.35Å; K278-F290 HydrophobicContact CG-CE1 3.85Å; K278-F290 HydrophobicContact CG-CG 3.77Å; K278-F290 HydrophobicContact CG-CZ 4.43Å |
| 279 | E | 89.6 | Confident | 88.4 | Confident | 146 Ų | 146 | 54.1 Ų | 54.1 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.2 | -49.2 | -179.6 | -175 | 176.9 | -168 | 0 | 0 | 111.3 | D275 L281 T282 S283 | D275-E279 WeakPolarHBondContact O-CB 3.46Å; D275-E279 PolarHBondContact O-N 2.88Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 2.71Å; E279-T282 PolarHBondContact O-N 2.88Å; E279-S283 PolarHBondContact O-N 3.45Å |
| 280 | L | 88.8 | Confident | 88.5 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.9 | -46.1 | 174.7 | 175 | 60.8 | 0 | 0 | 0 | 112.2 | Q276 S283 L328 M331 L333 L338 | Q276-L280 PolarHBondContact O-N 3.16Å; L280-S283 PolarHBondContact O-OG 3.4Å; L280-L328 HydrophobicContact CD1-CD2 4Å; L280-L328 HydrophobicContact CD2-CD2 4.27Å; L280-L328 HydrophobicContact CG-CD2 4.09Å; L280-M331 HydrophobicContact CD1-CE 4.02Å; L280-M331 HydrophobicContact CD2-CE 3.91Å; L280-L333 HydrophobicContact CD2-CD2 4.15Å; L280-L338 HydrophobicContact CD2-CD1 4.18Å |
| 281 | L | 89.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.2 | -33.1 | 179.4 | -69.6 | 168.3 | 0 | 0 | 0 | 112.6 | I265 V277 K278 E279 S283 F284 L287 F290 C307 Y309 L328 | I265-L281 HydrophobicContact CD1-CD1 4.36Å; I265-L281 HydrophobicContact CD1-CD2 4.37Å; I265-L281 HydrophobicContact CG1-CD2 4.18Å; V277-L281 HydrophobicContact CG1-CD1 4.09Å; V277-L281 WeakPolarHBondContact O-CB 3.13Å; V277-L281 VanDerWaalsContact O-CG 3.29Å; V277-L281 WeakPolarHBondContact O-CG 3.49Å; V277-L281 PolarHBondContact O-N 3.07Å; V277-L281 VanDerWaalsContact O-N 3.08Å; K278-L281 PolarHBondContact O-N 2.81Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 2.71Å; L281-S283 PolarHBondContact O-N 2.88Å; L281-F284 PolarHBondContact O-N 3.3Å; L281-F284 VanDerWaalsContact O-N 3.11Å; L281-L287 HydrophobicContact CB-CD1 3.9Å; L281-L287 HydrophobicContact CB-CD2 4.15Å; L281-L287 HydrophobicContact CB-CG 4.44Å; L281-F290 HydrophobicContact CD1-CD2 3.67Å; L281-F290 HydrophobicContact CD1-CE2 3.56Å; L281-C307 HydrophobicContact CD1-CB 4.15Å; L281-Y309 PolarHBondContact O-OH 3.42Å; L281-Y309 VanDerWaalsContact O-OH 3.1Å; L281-L328 HydrophobicContact CD2-CD1 3.62Å |
| 282 | T | 88.7 | Confident | 88.9 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.3 | -23.7 | -177.8 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | K278 E279 F284 G285 | K278-T282 VanDerWaalsContact O-CB 3.32Å; K278-T282 WeakPolarHBondContact O-CB 3.27Å; K278-T282 PolarHBondContact O-N 3.44Å; K278-T282 PolarHBondContact O-OG1 2.91Å; E279-T282 PolarHBondContact O-N 2.88Å; T282-F284 PolarHBondContact O-N 3.35Å; T282-F284 VanDerWaalsContact O-N 3.16Å; T282-G285 WeakPolarHBondContact CA-O 3.5Å; T282-G285 PolarHBondContact O-N 3.38Å; T282-G285 VanDerWaalsContact O-N 3.14Å |
| 283 | S | 86.6 | Confident | 88.9 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 63% | 0.629 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.5 | 174.3 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | E279 L280 L281 | E279-S283 PolarHBondContact O-N 3.45Å; L280-S283 PolarHBondContact O-OG 3.4Å; L281-S283 PolarHBondContact O-N 2.88Å |
| 284 | F | 84.8 | Confident | 88.9 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 18% | 0.184 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -11.6 | 175.6 | -62.3 | -92.9 | 0 | 0 | 0 | 113.5 | L281 T282 Y309 Q323 A324 L328 | L281-F284 PolarHBondContact O-N 3.3Å; L281-F284 VanDerWaalsContact O-N 3.11Å; T282-F284 PolarHBondContact O-N 3.35Å; T282-F284 VanDerWaalsContact O-N 3.16Å; F284-Y309 HydrophobicContact CB-CE1 4.44Å; F284-Q323 HydrophobicContact CD1-CG 4.4Å; F284-A324 HydrophobicContact CB-CB 4.02Å; F284-A324 HydrophobicContact CD1-CB 4.29Å; F284-A324 HydrophobicContact CG-CB 4.15Å; F284-L328 HydrophobicContact CD2-CD1 4.03Å; F284-L328 HydrophobicContact CD2-CG 4.3Å; F284-L328 HydrophobicContact CE1-CG 4.44Å; F284-L328 HydrophobicContact CE2-CD1 3.85Å; F284-L328 HydrophobicContact CE2-CD2 3.61Å; F284-L328 HydrophobicContact CE2-CG 3.64Å; F284-L328 HydrophobicContact CZ-CD1 4.34Å; F284-L328 HydrophobicContact CZ-CD2 3.85Å; F284-L328 HydrophobicContact CZ-CG 3.72Å |
| 285 | G | 85.2 | Confident | 88.7 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 156.5 | 163.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T282 L287 Y309 | T282-G285 WeakPolarHBondContact CA-O 3.5Å; T282-G285 PolarHBondContact O-N 3.38Å; T282-G285 VanDerWaalsContact O-N 3.14Å; G285-L287 PolarHBondContact O-N 3.28Å; G285-Y309 WeakPolarHBondContact O-CE1 3.35Å |
| 286 | P | 86.8 | Confident | 88.2 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | trans | -65.5 | 128.4 | 176 | 27.1 | -33.9 | 0 | 0 | 0 | 111.4 | V310 | P286-V310 HydrophobicContact CB-CB 4.44Å; P286-V310 HydrophobicContact CB-CG2 4Å; P286-V310 HydrophobicContact CG-CB 4.11Å; P286-V310 HydrophobicContact CG-CG2 4.23Å; P286-V310 WeakPolarHBondContact O-CG2 3.47Å; P286-V310 PolarHBondContact O-N 3.36Å | ||
| 287 | L | 88.9 | Confident | 87.8 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.7 | 177.3 | -66.9 | 174.4 | 0 | 0 | 0 | 111.3 | Y247 V252 K278 L281 G285 F290 C307 Y309 | Y247-L287 PolarHBondContact OH-O 3.07Å; V252-L287 HydrophobicContact CG1-CB 3.64Å; V252-L287 HydrophobicContact CG2-CB 4.05Å; K278-L287 HydrophobicContact CB-CD1 4.29Å; K278-L287 HydrophobicContact CG-CD1 4.46Å; L281-L287 HydrophobicContact CB-CD1 3.9Å; L281-L287 HydrophobicContact CB-CD2 4.15Å; L281-L287 HydrophobicContact CB-CG 4.44Å; G285-L287 PolarHBondContact O-N 3.28Å; L287-F290 HydrophobicContact CD1-CB 4.35Å; L287-C307 HydrophobicContact CD2-CB 3.96Å; L287-Y309 HydrophobicContact CD2-CD1 3.79Å; L287-Y309 HydrophobicContact CD2-CE1 3.52Å; L287-Y309 HydrophobicContact CD2-CG 4.47Å; L287-Y309 HydrophobicContact CG-CE1 4.36Å |
| 288 | K | 87.3 | Confident | 87.5 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -39.1 | 170.4 | 174.7 | -179.8 | 171.5 | -168.1 | 0 | 111 | S253 E308 V310 | S253-K288 WeakPolarHBondContact CB-O 3.33Å; S253-K288 PolarHBondContact N-O 3.27Å; S253-K288 VanDerWaalsContact N-O 3.07Å; K288-E308 WeakPolarHBondContact CB-O 3.29Å; K288-E308 HydrophobicContact CD-CG 4.48Å; K288-E308 WeakPolarHBondContact CD-OE1 3.43Å; K288-E308 VanDerWaalsContact CE-OE1 3.27Å; K288-E308 WeakPolarHBondContact CE-OE1 3.41Å; K288-E308 PolarHBondContact N-O 3.04Å; K288-E308 IonicContact NZ-OE1 3.78Å; K288-E308 PolarHBondContact NZ-OE1 3.16Å; K288-V310 HydrophobicContact CB-CG2 3.92Å |
| 289 | A | 88.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 147.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S253 V255 V256 C307 E308 | S253-A289 CarbonylContact O-C 3.53Å; S253-A289 VanDerWaalsContact O-CA 3.27Å; S253-A289 WeakPolarHBondContact O-CA 3.03Å; V255-A289 VanDerWaalsContact O-CB 3.3Å; V255-A289 WeakPolarHBondContact O-CB 3.28Å; V256-A289 HydrophobicContact CB-CB 4.24Å; V256-A289 HydrophobicContact CG1-CB 4.37Å; V256-A289 HydrophobicContact CG2-CB 3.85Å; A289-C307 CarbonylContact O-C 3.57Å; A289-C307 VanDerWaalsContact O-CA 3.22Å; A289-C307 WeakPolarHBondContact O-CA 3.36Å; A289-C307 WeakPolarHBondContact O-CB 3.45Å; A289-E308 HydrophobicContact CB-CB 4.41Å; A289-E308 PolarHBondContact N-O 3.21Å; A289-E308 VanDerWaalsContact N-O 3.11Å; A289-E308 PolarHBondContact O-N 3.41Å |
| 290 | F | 92.9 | Very high | 86.9 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 136.4 | 177.1 | 175.4 | -96 | 0 | 0 | 0 | 111.4 | V252 S253 T254 D274 V277 K278 L281 L287 L292 A305 F306 C307 | V252-F290 HydrophobicContact CG1-CB 3.67Å; S253-F290 PolarHBondContact O-N 3.12Å; T254-F290 WeakPolarHBondContact CA-O 3.19Å; D274-F290 HydrophobicContact CB-CE1 4.14Å; V277-F290 HydrophobicContact CB-CE2 4.21Å; V277-F290 HydrophobicContact CB-CZ 3.79Å; V277-F290 HydrophobicContact CG1-CE2 3.66Å; V277-F290 HydrophobicContact CG1-CZ 3.69Å; K278-F290 HydrophobicContact CD-CD1 4.19Å; K278-F290 HydrophobicContact CG-CB 4.29Å; K278-F290 HydrophobicContact CG-CD1 3.5Å; K278-F290 VanDerWaalsContact CG-CD1 3.5Å; K278-F290 HydrophobicContact CG-CD2 4.35Å; K278-F290 HydrophobicContact CG-CE1 3.85Å; K278-F290 HydrophobicContact CG-CG 3.77Å; K278-F290 HydrophobicContact CG-CZ 4.43Å; L281-F290 HydrophobicContact CD1-CD2 3.67Å; L281-F290 HydrophobicContact CD1-CE2 3.56Å; L287-F290 HydrophobicContact CD1-CB 4.35Å; F290-L292 HydrophobicContact CE1-CB 3.77Å; F290-L292 HydrophobicContact CZ-CB 3.77Å; F290-A305 HydrophobicContact CE2-CB 3.8Å; F290-A305 HydrophobicContact CZ-CB 4.04Å; F290-F306 WeakPolarHBondContact CA-O 3.38Å; F290-C307 HydrophobicContact CD2-CB 4.12Å |
| 291 | N | 92.2 | Very high | 86.9 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 105.4 | 174.1 | -178.9 | 31.9 | 0 | 0 | 0 | 111.1 | V256 V293 A305 F306 | V256-N291 HydrophobicContact CG2-CB 3.92Å; N291-V293 PolarHBondContact O-N 2.96Å; N291-A305 CarbonylContact O-C 3.48Å; N291-A305 VanDerWaalsContact O-CA 3.29Å; N291-A305 WeakPolarHBondContact O-CA 3.35Å; N291-F306 PolarHBondContact N-O 3.42Å; N291-F306 PolarHBondContact O-N 3.32Å |
| 292 | L | 91.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 117.6 | 167.5 | -177.3 | 61.4 | 0 | 0 | 0 | 109 | L268 D274 F290 K294 A305 | L268-L292 HydrophobicContact CD1-CD1 3.81Å; D274-L292 HydrophobicContact CB-CD2 4.43Å; F290-L292 HydrophobicContact CE1-CB 3.77Å; F290-L292 HydrophobicContact CZ-CB 3.77Å; L292-K294 PolarHBondContact O-N 3.27Å; L292-K294 VanDerWaalsContact O-N 3.14Å; L292-A305 HydrophobicContact CD1-CB 3.95Å |
| 293 | V | 89.2 | Confident | 87 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 108.2 | -176.3 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | N291 K302 Y304 F306 | N291-V293 PolarHBondContact O-N 2.96Å; V293-K302 HydrophobicContact CG1-CD 4.33Å; V293-K302 WeakPolarHBondContact O-CB 3.27Å; V293-K302 WeakPolarHBondContact O-CG 3.36Å; V293-K302 PolarHBondContact O-N 3.37Å; V293-Y304 HydrophobicContact CB-CD2 4.01Å; V293-Y304 HydrophobicContact CB-CE1 4.33Å; V293-Y304 HydrophobicContact CB-CE2 3.65Å; V293-Y304 HydrophobicContact CG1-CE1 4.33Å; V293-Y304 HydrophobicContact CG1-CE2 3.95Å; V293-Y304 HydrophobicContact CG2-CD2 3.88Å; V293-Y304 HydrophobicContact CG2-CE2 3.53Å; V293-Y304 PolarHBondContact N-O 2.82Å; V293-F306 HydrophobicContact CG2-CD2 3.95Å; V293-F306 HydrophobicContact CG2-CE2 3.92Å |
| 294 | K | 88.1 | Confident | 87.2 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 160.2 | 175.6 | -68.2 | 173.6 | 175.5 | -171.2 | 0 | 111.3 | D274 L292 G299 L300 K302 | D274-K294 VanDerWaalsContact CG-NZ 3.35Å; D274-K294 VanDerWaalsContact OD1-CE 3.23Å; D274-K294 WeakPolarHBondContact OD1-CE 3.46Å; D274-K294 IonicContact OD1-NZ 3.32Å; D274-K294 PolarHBondContact OD1-NZ 2.98Å; D274-K294 VanDerWaalsContact OD2-CE 3.28Å; D274-K294 WeakPolarHBondContact OD2-CE 3.38Å; D274-K294 IonicContact OD2-NZ 2.6Å; D274-K294 PolarHBondContact OD2-NZ 3.07Å; L292-K294 PolarHBondContact O-N 3.27Å; L292-K294 VanDerWaalsContact O-N 3.14Å; K294-G299 WeakPolarHBondContact CD-O 3.32Å; K294-L300 CarbonylContact C-O 3.49Å; K294-L300 VanDerWaalsContact CA-O 3.25Å; K294-L300 WeakPolarHBondContact CA-O 3.29Å; K294-K302 WeakPolarHBondContact O-CE 3.44Å |
| 295 | D | 84.9 | Confident | 87.6 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | trans | -78.1 | 137.6 | 168.6 | -172.1 | -102.1 | 0 | 0 | 0 | 112.1 | A297 T298 G299 L300 K302 | D295-A297 PolarHBondContact OD1-N 3.38Å; D295-T298 WeakPolarHBondContact CB-OG1 3.38Å; D295-T298 PolarHBondContact OD1-N 3.2Å; D295-T298 VanDerWaalsContact OD1-N 3.09Å; D295-T298 PolarHBondContact OD1-OG1 3.3Å; D295-G299 VanDerWaalsContact O-CA 3.23Å; D295-G299 WeakPolarHBondContact O-CA 3.47Å; D295-G299 PolarHBondContact O-N 3.09Å; D295-L300 PolarHBondContact N-O 3.07Å; D295-K302 HydrophobicContact CB-CG 4.41Å; D295-K302 VanDerWaalsContact OD2-CE 3.25Å; D295-K302 WeakPolarHBondContact OD2-CE 3.3Å; D295-K302 IonicContact OD2-NZ 2.77Å; D295-K302 PolarHBondContact OD2-NZ 2.83Å | ||
| 296 | S | 78.4 | Confident | 88 | Confident | 128 Ų | 128 | 50.4 Ų | 50.4 | 90% | 0.895 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12.7 | -172.9 | -166.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 297 | A | 81.3 | Confident | 88.3 | Confident | 96 Ų | 96 | 47.6 Ų | 47.6 | 79% | 0.793 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D295 | D295-A297 PolarHBondContact OD1-N 3.38Š|
| 298 | T | 84.3 | Confident | 88.3 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 56% | 0.558 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -13.5 | -176.2 | 60.8 | 0 | 0 | 0 | 0 | 114.8 | D295 L300 | D295-T298 WeakPolarHBondContact CB-OG1 3.38Å; D295-T298 PolarHBondContact OD1-N 3.2Å; D295-T298 VanDerWaalsContact OD1-N 3.09Å; D295-T298 PolarHBondContact OD1-OG1 3.3Å; T298-L300 PolarHBondContact O-N 3.42Å; T298-L300 VanDerWaalsContact O-N 3.11Å |
| 299 | G | 80.1 | Confident | 88.4 | Confident | 43 Ų | 43 | 44 Ų | 44 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | trans | 70.5 | -4.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | K294 D295 | K294-G299 WeakPolarHBondContact CD-O 3.32Å; D295-G299 VanDerWaalsContact O-CA 3.23Å; D295-G299 WeakPolarHBondContact O-CA 3.47Å; D295-G299 PolarHBondContact O-N 3.09Å | ||
| 300 | L | 85.4 | Confident | 88.1 | Confident | 103 Ų | 103 | 45 Ų | 45 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | trans | -74.3 | 146.9 | -176.7 | -63.4 | 175.2 | 0 | 0 | 0 | 111.9 | K294 D295 T298 K302 | K294-L300 CarbonylContact C-O 3.49Å; K294-L300 VanDerWaalsContact CA-O 3.25Å; K294-L300 WeakPolarHBondContact CA-O 3.29Å; D295-L300 PolarHBondContact N-O 3.07Å; T298-L300 PolarHBondContact O-N 3.42Å; T298-L300 VanDerWaalsContact O-N 3.11Å; L300-K302 PolarHBondContact O-N 2.88Å | ||
| 301 | S | 89.8 | Confident | 87 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 130.5 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | N270 G303 | N270-S301 WeakPolarHBondContact CB-O 3.3Å; S301-G303 PolarHBondContact O-N 2.77Å; S301-G303 PolarHBondContact OG-N 3.12Å; S301-G303 VanDerWaalsContact OG-N 3.14Å |
| 302 | K | 89.7 | Confident | 85.5 | Confident | 107 Ų | 107 | 49.8 Ų | 49.8 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 3.6 | 172.8 | -58 | -159.6 | -178.9 | -146.4 | 0 | 113 | V293 K294 D295 L300 Y304 | V293-K302 HydrophobicContact CG1-CD 4.33Å; V293-K302 WeakPolarHBondContact O-CB 3.27Å; V293-K302 WeakPolarHBondContact O-CG 3.36Å; V293-K302 PolarHBondContact O-N 3.37Å; K294-K302 WeakPolarHBondContact O-CE 3.44Å; D295-K302 HydrophobicContact CB-CG 4.41Å; D295-K302 VanDerWaalsContact OD2-CE 3.25Å; D295-K302 WeakPolarHBondContact OD2-CE 3.3Å; D295-K302 IonicContact OD2-NZ 2.77Å; D295-K302 PolarHBondContact OD2-NZ 2.83Å; L300-K302 PolarHBondContact O-N 2.88Å; K302-Y304 HydrophobicContact CB-CD1 3.81Å; K302-Y304 HydrophobicContact CB-CE1 3.53Å; K302-Y304 HydrophobicContact CD-CE1 4.28Å; K302-Y304 HydrophobicContact CG-CE1 4.46Å |
| 303 | G | 90 | Very high | 84.4 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | 20.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G267 L268 S301 | G267-G303 PolarHBondContact N-O 3.34Å; G267-G303 VanDerWaalsContact N-O 3.1Å; L268-G303 PolarHBondContact N-O 3Å; L268-G303 WeakPolarHBondContact O-CA 3.3Å; S301-G303 PolarHBondContact O-N 2.77Å; S301-G303 PolarHBondContact OG-N 3.12Å; S301-G303 VanDerWaalsContact OG-N 3.14Å |
| 304 | Y | 92.4 | Very high | 83 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 28% | 0.275 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 151.5 | 170 | 68.7 | -83.7 | 0 | 0 | 0 | 113.2 | F264 I265 V293 K302 F306 | F264-Y304 HydrophobicContact CD2-CD2 4.29Å; F264-Y304 AromaticContact CE2-CD2 3.63Å; F264-Y304 HydrophobicContact CE2-CD2 3.63Å; F264-Y304 HydrophobicContact CE2-CE2 4.47Å; F264-Y304 AromaticContact CE2-CG 3.91Å; F264-Y304 HydrophobicContact CE2-CG 3.91Å; F264-Y304 HydrophobicContact CZ-CG 4.45Å; I265-Y304 CarbonylContact O-C 3.55Å; I265-Y304 WeakPolarHBondContact O-CA 3.41Å; I265-Y304 WeakPolarHBondContact O-CB 3.48Å; V293-Y304 HydrophobicContact CB-CD2 4.01Å; V293-Y304 HydrophobicContact CB-CE1 4.33Å; V293-Y304 HydrophobicContact CB-CE2 3.65Å; V293-Y304 HydrophobicContact CG1-CE1 4.33Å; V293-Y304 HydrophobicContact CG1-CE2 3.95Å; V293-Y304 HydrophobicContact CG2-CD2 3.88Å; V293-Y304 HydrophobicContact CG2-CE2 3.53Å; V293-Y304 PolarHBondContact N-O 2.82Å; K302-Y304 HydrophobicContact CB-CD1 3.81Å; K302-Y304 HydrophobicContact CB-CE1 3.53Å; K302-Y304 HydrophobicContact CD-CE1 4.28Å; K302-Y304 HydrophobicContact CG-CE1 4.46Å; Y304-F306 HydrophobicContact CD2-CE2 4.18Å; Y304-F306 AromaticContact CE2-CE2 3.96Å; Y304-F306 HydrophobicContact CE2-CE2 3.96Å; Y304-F306 HydrophobicContact CE2-CZ 4.38Å |
| 305 | A | 93.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 166.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I265 L268 F290 N291 L292 | I265-A305 HydrophobicContact CB-CB 4.47Å; I265-A305 PolarHBondContact N-O 3.15Å; I265-A305 PolarHBondContact O-N 3.15Å; L268-A305 HydrophobicContact CD1-CB 3.77Å; F290-A305 HydrophobicContact CE2-CB 3.8Å; F290-A305 HydrophobicContact CZ-CB 4.04Å; N291-A305 CarbonylContact O-C 3.48Å; N291-A305 VanDerWaalsContact O-CA 3.29Å; N291-A305 WeakPolarHBondContact O-CA 3.35Å; L292-A305 HydrophobicContact CD1-CB 3.95Å |
| 306 | F | 93.9 | Very high | 80.7 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.9 | 164.1 | -61.7 | -84.7 | 0 | 0 | 0 | 110.1 | V256 K262 L263 F264 F290 N291 V293 Y304 A343 | V256-F306 HydrophobicContact CB-CB 4.12Å; V256-F306 HydrophobicContact CG1-CB 4.2Å; V256-F306 HydrophobicContact CG2-CB 4.04Å; K262-F306 HydrophobicContact CD-CD1 4.26Å; K262-F306 VanDerWaalsContact CE-CD1 3.48Å; K262-F306 HydrophobicContact CG-CD1 4.24Å; L263-F306 VanDerWaalsContact O-CA 3.23Å; L263-F306 WeakPolarHBondContact O-CA 3.23Å; L263-F306 WeakPolarHBondContact O-CD1 3.46Å; F264-F306 HydrophobicContact CB-CD1 4.23Å; F264-F306 HydrophobicContact CB-CE1 4.1Å; F264-F306 HydrophobicContact CD2-CD1 4.35Å; F264-F306 AromaticContact CD2-CE1 3.76Å; F264-F306 HydrophobicContact CD2-CE1 3.76Å; F264-F306 HydrophobicContact CD2-CZ 4.04Å; F264-F306 HydrophobicContact CG-CE1 4.43Å; F290-F306 WeakPolarHBondContact CA-O 3.38Å; N291-F306 PolarHBondContact N-O 3.42Å; N291-F306 PolarHBondContact O-N 3.32Å; V293-F306 HydrophobicContact CG2-CD2 3.95Å; V293-F306 HydrophobicContact CG2-CE2 3.92Å; Y304-F306 HydrophobicContact CD2-CE2 4.18Å; Y304-F306 AromaticContact CE2-CE2 3.96Å; Y304-F306 HydrophobicContact CE2-CE2 3.96Å; Y304-F306 HydrophobicContact CE2-CZ 4.38Å; F306-A343 HydrophobicContact CD1-CB 4.42Å; F306-A343 HydrophobicContact CE1-CB 4.28Å |
| 307 | C | 92.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 168.2 | 166.9 | 76.4 | 0 | 0 | 0 | 0 | 112.7 | L263 I265 L281 L287 A289 F290 | L263-C307 PolarHBondContact N-O 3.39Å; L263-C307 PolarHBondContact O-N 2.84Å; L263-C307 VanDerWaalsContact O-N 3.14Å; I265-C307 HydrophobicContact CD1-CB 4.31Å; L281-C307 HydrophobicContact CD1-CB 4.15Å; L287-C307 HydrophobicContact CD2-CB 3.96Å; A289-C307 CarbonylContact O-C 3.57Å; A289-C307 VanDerWaalsContact O-CA 3.22Å; A289-C307 WeakPolarHBondContact O-CA 3.36Å; A289-C307 WeakPolarHBondContact O-CB 3.45Å; F290-C307 HydrophobicContact CD2-CB 4.12Å |
| 308 | E | 89 | Confident | 79.4 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 134.7 | 167.2 | -171.2 | 177.3 | 117.8 | 0 | 0 | 108 | V256 S259 H261 K288 A289 | V256-E308 HydrophobicContact CG1-CB 4.18Å; S259-E308 VanDerWaalsContact CB-OE2 3.32Å; S259-E308 WeakPolarHBondContact CB-OE2 3.49Å; S259-E308 PolarHBondContact OG-OE2 3.04Å; H261-E308 HydrophobicContact CB-CG 4.3Å; K288-E308 WeakPolarHBondContact CB-O 3.29Å; K288-E308 HydrophobicContact CD-CG 4.48Å; K288-E308 WeakPolarHBondContact CD-OE1 3.43Å; K288-E308 VanDerWaalsContact CE-OE1 3.27Å; K288-E308 WeakPolarHBondContact CE-OE1 3.41Å; K288-E308 PolarHBondContact N-O 3.04Å; K288-E308 IonicContact NZ-OE1 3.78Å; K288-E308 PolarHBondContact NZ-OE1 3.16Å; A289-E308 HydrophobicContact CB-CB 4.41Å; A289-E308 PolarHBondContact N-O 3.21Å; A289-E308 VanDerWaalsContact N-O 3.11Å; A289-E308 PolarHBondContact O-N 3.41Å |
| 309 | Y | 88.7 | Confident | 78.8 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 156.2 | 177.1 | -70.3 | -77.8 | 0 | 0 | 0 | 111.6 | L263 L281 F284 G285 L287 D311 Q317 A324 | L263-Y309 HydrophobicContact CD1-CD2 4.26Å; L263-Y309 HydrophobicContact CD1-CE2 3.73Å; L281-Y309 PolarHBondContact O-OH 3.42Å; L281-Y309 VanDerWaalsContact O-OH 3.1Å; F284-Y309 HydrophobicContact CB-CE1 4.44Å; G285-Y309 WeakPolarHBondContact O-CE1 3.35Å; L287-Y309 HydrophobicContact CD2-CD1 3.79Å; L287-Y309 HydrophobicContact CD2-CE1 3.52Å; L287-Y309 HydrophobicContact CD2-CG 4.47Å; L287-Y309 HydrophobicContact CG-CE1 4.36Å; Y309-D311 PolarHBondContact O-N 2.85Å; Y309-Q317 PolarHBondContact O-NE2 3.17Å; Y309-A324 HydrophobicContact CE2-CB 3.7Å |
| 310 | V | 82.9 | Confident | 78.6 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | trans | -62.9 | 129.8 | 176 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | Y247 P286 K288 V312 | Y247-V310 HydrophobicContact CE1-CG2 4.23Å; Y247-V310 HydrophobicContact CE2-CG2 4.29Å; Y247-V310 VanDerWaalsContact OH-CG2 3.29Å; Y247-V310 WeakPolarHBondContact OH-CG2 3.4Å; P286-V310 HydrophobicContact CB-CB 4.44Å; P286-V310 HydrophobicContact CB-CG2 4Å; P286-V310 HydrophobicContact CG-CB 4.11Å; P286-V310 HydrophobicContact CG-CG2 4.23Å; P286-V310 WeakPolarHBondContact O-CG2 3.47Å; P286-V310 PolarHBondContact O-N 3.36Å; K288-V310 HydrophobicContact CB-CG2 3.92Å; V310-V312 HydrophobicContact CG1-CG2 4.11Å; V310-V312 PolarHBondContact O-N 3.25Å; V310-V312 VanDerWaalsContact O-N 3.17Å | ||
| 311 | D | 70.4 | Confident | 78.3 | Confident | 76 Ų | 76 | 48.8 Ų | 48.8 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | trans | -77 | 96.7 | 169.1 | -173.5 | 7.6 | 0 | 0 | 0 | 108.8 | Y309 N313 L314 | Y309-D311 PolarHBondContact O-N 2.85Å; D311-N313 WeakPolarHBondContact OD1-CA 3.19Å; D311-N313 PolarHBondContact OD1-N 3.3Å; D311-L314 PolarHBondContact OD1-N 2.83Å; D311-L314 VanDerWaalsContact OD1-N 3.12Å | ||
| 312 | V | 61.5 | Low | 77.9 | Confident | 88 Ų | 88 | 51.8 Ų | 51.8 | 53% | 0.533 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -86.9 | -40 | 170 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | V310 | V310-V312 HydrophobicContact CG1-CG2 4.11Å; V310-V312 PolarHBondContact O-N 3.25Å; V310-V312 VanDerWaalsContact O-N 3.17Å |
| 313 | N | 66.1 | Low | 77.5 | Confident | 96 Ų | 96 | 52.1 Ų | 52.1 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | trans | -152.3 | 150.2 | 159.8 | -62.3 | -77.2 | 0 | 0 | 0 | 107.7 | D311 N315 D316 Q317 | D311-N313 WeakPolarHBondContact OD1-CA 3.19Å; D311-N313 PolarHBondContact OD1-N 3.3Å; N313-N315 PolarHBondContact O-N 2.84Å; N313-N315 VanDerWaalsContact O-N 3.11Å; N313-D316 HydrophobicContact CB-CB 4.38Å; N313-D316 WeakPolarHBondContact CB-OD2 3.32Å; N313-D316 PolarHBondContact ND2-OD2 2.89Å; N313-D316 WeakPolarHBondContact O-CA 3.38Å; N313-D316 PolarHBondContact O-N 3.41Å; N313-Q317 PolarHBondContact O-N 3.02Å | ||
| 314 | L | 60.6 | Low | 77.2 | Confident | 103 Ų | 103 | 51.8 Ų | 51.8 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -49.7 | -41.2 | 176.9 | -79.6 | 166.9 | 0 | 0 | 0 | 113.7 | D311 I318 | D311-L314 PolarHBondContact OD1-N 2.83Å; D311-L314 VanDerWaalsContact OD1-N 3.12Å; L314-I318 WeakPolarHBondContact O-CB 3.49Å; L314-I318 WeakPolarHBondContact O-CD1 3.49Å; L314-I318 VanDerWaalsContact O-CG1 3.24Å; L314-I318 WeakPolarHBondContact O-CG1 3.31Å; L314-I318 PolarHBondContact O-N 3.09Å |
| 315 | N | 59.4 | Low | 76.9 | Confident | 126 Ų | 126 | 50.1 Ų | 50.1 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.1 | -39.2 | 178.5 | -67.2 | -16.8 | 0 | 0 | 0 | 112.1 | N313 T319 | N313-N315 PolarHBondContact O-N 2.84Å; N313-N315 VanDerWaalsContact O-N 3.11Å; N315-T319 WeakPolarHBondContact O-CB 3.3Å; N315-T319 PolarHBondContact O-N 3.43Å; N315-T319 PolarHBondContact O-OG1 3.41Å |
| 316 | D | 65.4 | Low | 76.6 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74 | -39.7 | -179.9 | -59.2 | -30.1 | 0 | 0 | 0 | 110.3 | N313 T319 M320 | N313-D316 HydrophobicContact CB-CB 4.38Å; N313-D316 WeakPolarHBondContact CB-OD2 3.32Å; N313-D316 PolarHBondContact ND2-OD2 2.89Å; N313-D316 WeakPolarHBondContact O-CA 3.38Å; N313-D316 PolarHBondContact O-N 3.41Å; D316-T319 WeakPolarHBondContact O-CB 3.4Å; D316-T319 PolarHBondContact O-N 3.33Å; D316-T319 VanDerWaalsContact O-N 3.16Å; D316-M320 WeakPolarHBondContact O-CG 3.49Å; D316-M320 PolarHBondContact O-N 3.47Å |
| 317 | Q | 64.9 | Low | 76.1 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.5 | -162.7 | -171 | 34.4 | 0 | 0 | 111.2 | H261 Y309 N313 T319 M320 E321 | H261-Q317 PolarHBondContact CD2-OE1 3.14Å; Y309-Q317 PolarHBondContact O-NE2 3.17Å; N313-Q317 PolarHBondContact O-N 3.02Å; Q317-T319 VanDerWaalsContact C-N 3.26Å; Q317-T319 PolarHBondContact O-N 3.26Å; Q317-M320 PolarHBondContact O-N 3.15Å; Q317-E321 WeakPolarHBondContact O-CB 3.22Å; Q317-E321 PolarHBondContact O-N 2.91Å |
| 318 | I | 67.6 | Low | 75.8 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -35.1 | 175 | -69.8 | 166.9 | 0 | 0 | 0 | 111.2 | L314 N322 | L314-I318 WeakPolarHBondContact O-CB 3.49Å; L314-I318 WeakPolarHBondContact O-CD1 3.49Å; L314-I318 VanDerWaalsContact O-CG1 3.24Å; L314-I318 WeakPolarHBondContact O-CG1 3.31Å; L314-I318 PolarHBondContact O-N 3.09Å; I318-N322 WeakPolarHBondContact O-CB 3.38Å; I318-N322 PolarHBondContact O-N 2.84Å; I318-N322 PolarHBondContact O-ND2 2.71Å; I318-N322 VanDerWaalsContact O-ND2 3.12Å |
| 319 | T | 72.4 | Confident | 75.8 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.8 | -49.1 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | N315 D316 Q317 E321 N322 Q323 | N315-T319 WeakPolarHBondContact O-CB 3.3Å; N315-T319 PolarHBondContact O-N 3.43Å; N315-T319 PolarHBondContact O-OG1 3.41Å; D316-T319 WeakPolarHBondContact O-CB 3.4Å; D316-T319 PolarHBondContact O-N 3.33Å; D316-T319 VanDerWaalsContact O-N 3.16Å; Q317-T319 VanDerWaalsContact C-N 3.26Å; Q317-T319 PolarHBondContact O-N 3.26Å; T319-E321 VanDerWaalsContact C-N 3.35Å; T319-E321 PolarHBondContact O-N 2.7Å; T319-N322 PolarHBondContact O-N 3.32Å; T319-Q323 VanDerWaalsContact O-CB 3.3Å; T319-Q323 WeakPolarHBondContact O-CB 3.44Å; T319-Q323 PolarHBondContact O-N 3.12Å |
| 320 | M | 75.9 | Confident | 75.6 | Confident | 47 Ų | 47 | 59 Ų | 59 | 23% | 0.232 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 174.8 | -68.8 | 178.3 | -171.3 | 0 | 0 | 111.7 | D316 Q317 Q323 A324 | D316-M320 WeakPolarHBondContact O-CG 3.49Å; D316-M320 PolarHBondContact O-N 3.47Å; Q317-M320 PolarHBondContact O-N 3.15Å; M320-Q323 PolarHBondContact O-N 2.72Å; M320-A324 VanDerWaalsContact O-CB 3.3Å; M320-A324 WeakPolarHBondContact O-CB 3.24Å; M320-A324 PolarHBondContact O-N 3.11Å |
| 321 | E | 78.4 | Confident | 75.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.009 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 176.6 | -173.9 | -171.5 | -179.3 | 0 | 0 | 111.5 | H261 L263 Q317 T319 A324 I325 R342 | H261-E321 IonicContact ND1-OE2 2.67Å; H261-E321 PolarHBondContact ND1-OE2 3.34Å; H261-E321 VanDerWaalsContact ND1-OE2 3.09Å; L263-E321 HydrophobicContact CD1-CG 4.35Å; L263-E321 HydrophobicContact CD2-CG 3.72Å; L263-E321 HydrophobicContact CG-CG 4.17Å; Q317-E321 WeakPolarHBondContact O-CB 3.22Å; Q317-E321 PolarHBondContact O-N 2.91Å; T319-E321 VanDerWaalsContact C-N 3.35Å; T319-E321 PolarHBondContact O-N 2.7Å; E321-A324 PolarHBondContact O-N 2.71Å; E321-I325 HydrophobicContact CG-CD1 4.3Å; E321-I325 VanDerWaalsContact O-CG1 3.29Å; E321-I325 WeakPolarHBondContact O-CG1 3.43Å; E321-I325 PolarHBondContact O-N 3.24Å; E321-R342 WeakPolarHBondContact OE1-CD 3.44Å; E321-R342 WeakPolarHBondContact OE1-CG 3.49Å; E321-R342 IonicContact OE1-CZ 2.76Å; E321-R342 IonicContact OE1-NE 3.43Å; E321-R342 PolarHBondContact OE1-NE 3.16Å; E321-R342 IonicContact OE1-NH1 2.69Å; E321-R342 PolarHBondContact OE1-NH1 2.87Å; E321-R342 IonicContact OE1-NH2 3.7Å; E321-R342 PolarHBondContact OE1-NH2 3.05Å; E321-R342 IonicContact OE2-CZ 2.76Å; E321-R342 IonicContact OE2-NH1 3.7Å; E321-R342 PolarHBondContact OE2-NH1 3.18Å; E321-R342 IonicContact OE2-NH2 3.67Å; E321-R342 PolarHBondContact OE2-NH2 3.34Å |
| 322 | N | 80.9 | Confident | 76.7 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 179.1 | -69.2 | -23.7 | 0 | 0 | 0 | 112.3 | I318 T319 A326 R342 | I318-N322 WeakPolarHBondContact O-CB 3.38Å; I318-N322 PolarHBondContact O-N 2.84Å; I318-N322 PolarHBondContact O-ND2 2.71Å; I318-N322 VanDerWaalsContact O-ND2 3.12Å; T319-N322 PolarHBondContact O-N 3.32Å; N322-A326 VanDerWaalsContact O-CB 3.3Å; N322-A326 WeakPolarHBondContact O-CB 3.43Å; N322-A326 PolarHBondContact O-N 3.35Å; N322-R342 PolarHBondContact OD1-NH2 3.21Å |
| 323 | Q | 82.3 | Confident | 77.8 | Confident | 115 Ų | 115 | 60.9 Ų | 60.9 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 176.1 | -173.7 | 175.4 | -15.9 | 0 | 0 | 111.9 | F284 T319 M320 A326 G327 | F284-Q323 HydrophobicContact CD1-CG 4.4Å; T319-Q323 VanDerWaalsContact O-CB 3.3Å; T319-Q323 WeakPolarHBondContact O-CB 3.44Å; T319-Q323 PolarHBondContact O-N 3.12Å; M320-Q323 PolarHBondContact O-N 2.72Å; Q323-A326 PolarHBondContact O-N 2.87Å; Q323-G327 PolarHBondContact O-N 3.05Å |
| 324 | A | 83.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L263 F284 Y309 M320 E321 L328 | L263-A324 HydrophobicContact CD1-CB 4.21Å; F284-A324 HydrophobicContact CB-CB 4.02Å; F284-A324 HydrophobicContact CD1-CB 4.29Å; F284-A324 HydrophobicContact CG-CB 4.15Å; Y309-A324 HydrophobicContact CE2-CB 3.7Å; M320-A324 VanDerWaalsContact O-CB 3.3Å; M320-A324 WeakPolarHBondContact O-CB 3.24Å; M320-A324 PolarHBondContact O-N 3.11Å; E321-A324 PolarHBondContact O-N 2.71Å; A324-L328 VanDerWaalsContact O-CB 3.26Å; A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 PolarHBondContact O-N 3.49Å |
| 325 | I | 86.2 | Confident | 79.8 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58 | -52.8 | 171.3 | -69.8 | 163.7 | 0 | 0 | 0 | 110.2 | L263 E321 G327 N329 V340 R342 | L263-I325 HydrophobicContact CD2-CD1 3.71Å; L263-I325 HydrophobicContact CD2-CG1 3.73Å; E321-I325 HydrophobicContact CG-CD1 4.3Å; E321-I325 VanDerWaalsContact O-CG1 3.29Å; E321-I325 WeakPolarHBondContact O-CG1 3.43Å; E321-I325 PolarHBondContact O-N 3.24Å; I325-G327 PolarHBondContact O-N 2.95Å; I325-N329 WeakPolarHBondContact O-CB 3.42Å; I325-N329 PolarHBondContact O-N 2.92Å; I325-V340 HydrophobicContact CG1-CG1 4.08Å; I325-R342 HydrophobicContact CD1-CG 3.87Å |
| 326 | A | 85.8 | Confident | 81.2 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 69% | 0.694 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.1 | -33.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N322 Q323 | N322-A326 VanDerWaalsContact O-CB 3.3Å; N322-A326 WeakPolarHBondContact O-CB 3.43Å; N322-A326 PolarHBondContact O-N 3.35Å; Q323-A326 PolarHBondContact O-N 2.87Å |
| 327 | G | 84.2 | Confident | 82.3 | Confident | 40 Ų | 40 | 62.5 Ų | 62.5 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -84.8 | -32.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q323 I325 | Q323-G327 PolarHBondContact O-N 3.05Å; I325-G327 PolarHBondContact O-N 2.95Å |
| 328 | L | 87 | Confident | 83.6 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -98.3 | -27 | -176.9 | -65.3 | 167.7 | 0 | 0 | 0 | 113.6 | L280 L281 F284 A324 G330 M331 L338 V340 | L280-L328 HydrophobicContact CD1-CD2 4Å; L280-L328 HydrophobicContact CD2-CD2 4.27Å; L280-L328 HydrophobicContact CG-CD2 4.09Å; L281-L328 HydrophobicContact CD2-CD1 3.62Å; F284-L328 HydrophobicContact CD2-CD1 4.03Å; F284-L328 HydrophobicContact CD2-CG 4.3Å; F284-L328 HydrophobicContact CE1-CG 4.44Å; F284-L328 HydrophobicContact CE2-CD1 3.85Å; F284-L328 HydrophobicContact CE2-CD2 3.61Å; F284-L328 HydrophobicContact CE2-CG 3.64Å; F284-L328 HydrophobicContact CZ-CD1 4.34Å; F284-L328 HydrophobicContact CZ-CD2 3.85Å; F284-L328 HydrophobicContact CZ-CG 3.72Å; A324-L328 VanDerWaalsContact O-CB 3.26Å; A324-L328 WeakPolarHBondContact O-CB 3.37Å; A324-L328 PolarHBondContact O-N 3.49Å; L328-G330 PolarHBondContact O-N 3.44Å; L328-M331 HydrophobicContact CD2-CE 3.86Å; L328-M331 HydrophobicContact CD2-SD 3.98Å; L328-M331 WeakPolarHBondContact O-CB 3.47Å; L328-M331 PolarHBondContact O-N 3.5Å; L328-L338 HydrophobicContact CD2-CD1 4.46Å; L328-V340 HydrophobicContact CB-CB 4.21Å; L328-V340 HydrophobicContact CB-CG2 3.55Å |
| 329 | N | 87.8 | Confident | 84.6 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 42% | 0.417 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 121.1 | -177.7 | -168.1 | 24.3 | 0 | 0 | 0 | 111 | I325 M331 L339 V340 | I325-N329 WeakPolarHBondContact O-CB 3.42Å; I325-N329 PolarHBondContact O-N 2.92Å; N329-M331 VanDerWaalsContact C-N 3.28Å; N329-L339 WeakPolarHBondContact OD1-CA 3.46Å; N329-V340 HydrophobicContact CB-CB 4.16Å; N329-V340 PolarHBondContact OD1-N 3.16Å; N329-V340 VanDerWaalsContact OD1-N 3.16Å |
| 330 | G | 84.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -4.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | L328 Q332 L338 | L328-G330 PolarHBondContact O-N 3.44Å; G330-Q332 PolarHBondContact O-N 2.77Å; G330-L338 WeakPolarHBondContact CA-O 3.48Å; G330-L338 PolarHBondContact N-O 2.98Å |
| 331 | M | 88.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 30% | 0.3 | 34% | 0.344 | S | S | . | . | trans | -60.9 | 131.7 | 176 | -168.5 | -173.4 | 75.3 | 0 | 0 | 109.9 | L280 L328 N329 K337 L338 | L280-M331 HydrophobicContact CD1-CE 4.02Å; L280-M331 HydrophobicContact CD2-CE 3.91Å; L328-M331 HydrophobicContact CD2-CE 3.86Å; L328-M331 HydrophobicContact CD2-SD 3.98Å; L328-M331 WeakPolarHBondContact O-CB 3.47Å; L328-M331 PolarHBondContact O-N 3.5Å; N329-M331 VanDerWaalsContact C-N 3.28Å; M331-K337 WeakPolarHBondContact O-CA 3.24Å; M331-L338 HydrophobicContact CE-CD1 3.79Å; M331-L338 PolarHBondContact O-N 3.44Å | ||
| 332 | Q | 87.1 | Confident | 86.5 | Confident | 118 Ų | 118 | 65.5 Ų | 65.5 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.1 | -178.2 | -174.4 | 152.5 | -12.9 | 0 | 0 | 111.1 | G330 G334 K336 K337 | G330-Q332 PolarHBondContact O-N 2.77Å; Q332-G334 WeakPolarHBondContact CG-O 3.44Å; Q332-G334 PolarHBondContact NE2-O 3.27Å; Q332-G334 VanDerWaalsContact NE2-O 3.14Å; Q332-K336 WeakPolarHBondContact CA-O 3.38Å; Q332-K337 HydrophobicContact CB-CG 4.21Å; Q332-K337 HydrophobicContact CG-CG 4.38Å |
| 333 | L | 85.5 | Confident | 86.6 | Confident | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 91.4 | -175.7 | -168.3 | 56.7 | 0 | 0 | 0 | 108.5 | P269 L272 L280 K336 L338 | P269-L333 HydrophobicContact CG-CG 4.22Å; P269-L333 VanDerWaalsContact CG-O 3.31Å; P269-L333 WeakPolarHBondContact CG-O 3.5Å; L272-L333 HydrophobicContact CD1-CD2 3.56Å; L272-L333 HydrophobicContact CD1-CG 4.29Å; L280-L333 HydrophobicContact CD2-CD2 4.15Å; L333-K336 PolarHBondContact N-O 3.41Å; L333-L338 HydrophobicContact CB-CD2 4.26Å; L333-L338 HydrophobicContact CB-CG 4.42Å; L333-L338 HydrophobicContact CD2-CD1 4.24Å; L333-L338 HydrophobicContact CD2-CD2 4.11Å |
| 334 | G | 83.3 | Confident | 85.8 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -136.2 | -163 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q332 K336 | Q332-G334 WeakPolarHBondContact CG-O 3.44Å; Q332-G334 PolarHBondContact NE2-O 3.27Å; Q332-G334 VanDerWaalsContact NE2-O 3.14Å; G334-K336 PolarHBondContact O-N 2.94Å |
| 335 | D | 85.3 | Confident | 84.3 | Confident | 166 Ų | 166 | 66.2 Ų | 66.2 | 89% | 0.888 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5.1 | -178.4 | -47.4 | -51.9 | 0 | 0 | 0 | 113.5 | ||
| 336 | K | 87.8 | Confident | 82.3 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 35% | 0.352 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 152.9 | -178 | -59.6 | -170.1 | -174.7 | -174.5 | 0 | 111.8 | G267 L268 Q332 L333 G334 | G267-K336 WeakPolarHBondContact O-CB 3.41Å; G267-K336 WeakPolarHBondContact O-CD 3.46Å; L268-K336 PolarHBondContact O-NZ 2.84Å; Q332-K336 WeakPolarHBondContact CA-O 3.38Å; L333-K336 PolarHBondContact N-O 3.41Å; G334-K336 PolarHBondContact O-N 2.94Å |
| 337 | K | 88.8 | Confident | 80 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.5 | 165.3 | -64.1 | -173.4 | 178.5 | -173.2 | 0 | 109.5 | M331 Q332 | M331-K337 WeakPolarHBondContact O-CA 3.24Å; Q332-K337 HydrophobicContact CB-CG 4.21Å; Q332-K337 HydrophobicContact CG-CG 4.38Å |
| 338 | L | 91.6 | Very high | 77.8 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | trans | -73 | 146.9 | 175.8 | -56.2 | -169.4 | 0 | 0 | 0 | 110.4 | G266 L268 L280 L328 G330 M331 L333 | G266-L338 WeakPolarHBondContact O-CA 3.48Å; L268-L338 HydrophobicContact CD2-CD1 4.43Å; L268-L338 HydrophobicContact CD2-CD2 3.79Å; L268-L338 HydrophobicContact CG-CD2 4.28Å; L280-L338 HydrophobicContact CD2-CD1 4.18Å; L328-L338 HydrophobicContact CD2-CD1 4.46Å; G330-L338 WeakPolarHBondContact CA-O 3.48Å; G330-L338 PolarHBondContact N-O 2.98Å; M331-L338 HydrophobicContact CE-CD1 3.79Å; M331-L338 PolarHBondContact O-N 3.44Å; L333-L338 HydrophobicContact CB-CD2 4.26Å; L333-L338 HydrophobicContact CB-CG 4.42Å; L333-L338 HydrophobicContact CD2-CD1 4.24Å; L333-L338 HydrophobicContact CD2-CD2 4.11Å | ||
| 339 | L | 89.3 | Confident | 75.7 | Confident | 77 Ų | 77 | 83.3 Ų | 83.3 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 107.1 | 172.3 | 172.9 | 60.8 | 0 | 0 | 0 | 107.6 | F264 I265 G266 N329 | F264-L339 HydrophobicContact CE1-CD2 4.32Å; I265-L339 CarbonylContact C-O 3.51Å; I265-L339 WeakPolarHBondContact CA-O 3.29Å; G266-L339 PolarHBondContact N-O 3.3Å; G266-L339 PolarHBondContact O-N 3.46Å; N329-L339 WeakPolarHBondContact OD1-CA 3.46Å |
| 340 | V | 90.9 | Very high | 72.9 | Confident | 1 Ų | 1 | 84.1 Ų | 84.1 | 1% | 0.006 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.7 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | F264 I265 I325 L328 N329 | F264-V340 WeakPolarHBondContact O-CA 3.25Å; I265-V340 HydrophobicContact CB-CG2 4.37Å; I265-V340 HydrophobicContact CG1-CG1 4.32Å; I265-V340 HydrophobicContact CG1-CG2 4.08Å; I265-V340 HydrophobicContact CG2-CG2 4.02Å; I325-V340 HydrophobicContact CG1-CG1 4.08Å; L328-V340 HydrophobicContact CB-CB 4.21Å; L328-V340 HydrophobicContact CB-CG2 3.55Å; N329-V340 HydrophobicContact CB-CB 4.16Å; N329-V340 PolarHBondContact OD1-N 3.16Å; N329-V340 VanDerWaalsContact OD1-N 3.16Å |
| 341 | Q | 88.3 | Confident | 70.5 | Confident | 86 Ų | 86 | 88.8 Ų | 88.8 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 163.2 | -176.9 | 57.6 | 174.9 | 66.5 | 0 | 0 | 110.8 | F264 | F264-Q341 HydrophobicContact CB-CG 4.41Å; F264-Q341 HydrophobicContact CD1-CG 4.04Å; F264-Q341 PolarHBondContact N-O 3.38Å; F264-Q341 PolarHBondContact O-N 2.88Å; F264-Q341 VanDerWaalsContact O-N 3.14Å |
| 342 | R | 87.1 | Confident | 67.9 | Low | 94 Ų | 94 | 93.9 Ų | 93.9 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 135.8 | 167.9 | -55.1 | -172.1 | 177.9 | -115.4 | -10 | 109.6 | A260 L263 E321 N322 I325 | A260-R342 PolarHBondContact O-NH1 3.17Å; L263-R342 HydrophobicContact CD2-CG 4.45Å; E321-R342 WeakPolarHBondContact OE1-CD 3.44Å; E321-R342 WeakPolarHBondContact OE1-CG 3.49Å; E321-R342 IonicContact OE1-CZ 2.76Å; E321-R342 IonicContact OE1-NE 3.43Å; E321-R342 PolarHBondContact OE1-NE 3.16Å; E321-R342 IonicContact OE1-NH1 2.69Å; E321-R342 PolarHBondContact OE1-NH1 2.87Å; E321-R342 IonicContact OE1-NH2 3.7Å; E321-R342 PolarHBondContact OE1-NH2 3.05Å; E321-R342 IonicContact OE2-CZ 2.76Å; E321-R342 IonicContact OE2-NH1 3.7Å; E321-R342 PolarHBondContact OE2-NH1 3.18Å; E321-R342 IonicContact OE2-NH2 3.67Å; E321-R342 PolarHBondContact OE2-NH2 3.34Å; N322-R342 PolarHBondContact OD1-NH2 3.21Å; I325-R342 HydrophobicContact CD1-CG 3.87Å |
| 343 | A | 82.5 | Confident | 65.1 | Low | 20 Ų | 20 | 94.4 Ų | 94.4 | 17% | 0.165 | 54% | 0.543 | C | S | . | . | trans | -74.3 | 134.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | K262 F264 F306 V345 | K262-A343 HydrophobicContact CB-CB 4.19Å; K262-A343 HydrophobicContact CD-CB 3.96Å; K262-A343 HydrophobicContact CG-CB 3.79Å; K262-A343 WeakPolarHBondContact O-CB 3.46Å; K262-A343 PolarHBondContact O-N 3.42Å; F264-A343 HydrophobicContact CB-CB 4.37Å; F306-A343 HydrophobicContact CD1-CB 4.42Å; F306-A343 HydrophobicContact CE1-CB 4.28Å; A343-V345 PolarHBondContact O-N 3.48Å | ||
| 344 | S | 65.8 | Low | 62.6 | Low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | trans | -75.2 | 109 | 179 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | G346 S347 | S344-G346 PolarHBondContact O-N 2.62Å; S344-S347 PolarHBondContact O-N 3.38Å; S344-S347 PolarHBondContact OG-OG 2.84Å | ||
| 345 | V | 51.3 | Low | 60.1 | Low | 105 Ų | 105 | 102.2 Ų | 102.2 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 104.2 | 178.3 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | A343 | A343-V345 PolarHBondContact O-N 3.48Š|
| 346 | G | 45.4 | Very low | 57.4 | Low | 70 Ų | 70 | 101.1 Ų | 101.1 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132 | -16.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116 | S344 K348 | S344-G346 PolarHBondContact O-N 2.62Å; G346-K348 VanDerWaalsContact C-N 3.34Å; G346-K348 PolarHBondContact O-N 2.96Å |
| 347 | S | 37.8 | Very low | 54.7 | Low | 88 Ų | 88 | 105.9 Ų | 105.9 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | trans | -79 | 70.2 | -174.7 | -55.1 | 0 | 0 | 0 | 0 | 113.8 | S344 | S344-S347 PolarHBondContact O-N 3.38Å; S344-S347 PolarHBondContact OG-OG 2.84Å | ||
| 348 | K | 38 | Very low | 51.8 | Low | 193 Ų | 193 | 105.7 Ų | 105.7 | 84% | 0.839 | 61% | 0.609 | S | S | * | * | trans | -67.8 | 138.4 | 163.5 | -69.1 | -176.1 | -179.9 | 178.4 | 0 | 109.5 | G346 A350 | G346-K348 VanDerWaalsContact C-N 3.34Å; G346-K348 PolarHBondContact O-N 2.96Å; K348-A350 PolarHBondContact O-N 2.89Å | ||
| 349 | N | 41.8 | Very low | 49.1 | Very low | 168 Ų | 168 | 110.7 Ų | 110.7 | 90% | 0.898 | 64% | 0.642 | S | S | * | * | trans | -44.9 | 108.8 | -169.5 | -67.4 | -18.1 | 0 | 0 | 0 | 114.5 | ||||
| 350 | A | 29.8 | Very low | 46.3 | Very low | 94 Ų | 94 | 112.4 Ų | 112.4 | 78% | 0.777 | 66% | 0.655 | S | S | * | * | trans | -111.5 | 130.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | K348 | K348-A350 PolarHBondContact O-N 2.89Š| ||
| 351 | T | 33.4 | Very low | 43.4 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 85% | 0.847 | 70% | 0.698 | S | S | * | * | trans | -71.8 | 147.6 | -178.5 | 38.1 | 0 | 0 | 0 | 0 | 112.2 | T353 | T351-T353 PolarHBondContact O-N 3.12Š| ||
| 352 | L | 35 | Very low | 40.4 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 88% | 0.88 | 71% | 0.709 | S | S | * | * | trans | -60.3 | 124.1 | 175.3 | -80.8 | 69.2 | 0 | 0 | 0 | 111.4 | ||||
| 353 | T | 29.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | -160.6 | 132.4 | 141.8 | 26.6 | 0 | 0 | 0 | 0 | 111.7 | T351 | T351-T353 PolarHBondContact O-N 3.12Š| ||
| 354 | S | 31.5 | Very low | 34.9 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 49.8 | 93.2 | 148.6 | -55.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 355 | I | 31.2 | Very low | 33.3 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 56.7 | 127.1 | 107.3 | -66.4 | 159.7 | 0 | 0 | 0 | 120.1 | |||||
| 356 | N | 28 | Very low | 32.4 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | 102.9 | 131.2 | 146.9 | -88 | -13.3 | 0 | 0 | 0 | 123 | ||||
| 357 | Q | 32.7 | Very low | 31.9 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | 81.8 | 151.7 | 158.1 | -67 | 178.1 | 5.8 | 0 | 0 | 119.9 | ||||
| 358 | T | 27.8 | Very low | 31.6 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -125.6 | -178 | -154.4 | 52 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 359 | P | 34.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | cis | -134.7 | 153.3 | 2.7 | 35.5 | -15.3 | 0 | 0 | 0 | 117.9 | ||||
| 360 | V | 30.3 | Very low | 31.2 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | trans | 23.6 | 124 | 134.4 | -168.7 | 0 | 0 | 0 | 0 | 120.3 | L362 | V360-L362 HydrophobicContact CG1-CD1 3.4Å; V360-L362 VanDerWaalsContact CG1-CD1 3.4Å | ||
| 361 | T | 28.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -128.9 | 148.7 | 140.5 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 362 | L | 27.1 | Very low | 31.8 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | trans | -106.4 | 134.5 | -164.8 | -118 | 68.5 | 0 | 0 | 0 | 114 | V360 | V360-L362 HydrophobicContact CG1-CD1 3.4Å; V360-L362 VanDerWaalsContact CG1-CD1 3.4Å | ||
| 363 | Q | 26.5 | Very low | 31.9 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 62.1 | 164.4 | 145.6 | -65.2 | 166.3 | -13.1 | 0 | 0 | 117 | ||||
| 364 | V | 27.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | cis | -130.3 | 152.3 | 13.2 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 365 | P | 31 | Very low | 32.8 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -80.4 | 154.3 | -174.8 | -11.7 | 29.2 | 0 | 0 | 0 | 115.3 | ||||
| 366 | G | 33.4 | Very low | 33.7 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | 146.4 | 72.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 367 | L | 33.5 | Very low | 35.1 | Very low | 165 Ų | 165 | 126 Ų | 126 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -150.2 | 149.8 | 152.5 | -158.1 | 57.3 | 0 | 0 | 0 | 112.6 | ||||
| 368 | M | 32.2 | Very low | 36.9 | Very low | 151 Ų | 151 | 124.1 Ų | 124.1 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | -117.3 | 156.9 | -161.9 | 56.9 | -152.3 | 123.5 | 0 | 0 | 113.7 | ||||
| 369 | N | 34.5 | Very low | 39.4 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | trans | 58.2 | 86.2 | 167.9 | -65.9 | 1.2 | 0 | 0 | 0 | 118.4 | ||||
| 370 | S | 37.3 | Very low | 41.9 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -101 | 68.2 | 170 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 371 | S | 34.5 | Very low | 44.6 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -134.7 | 8.4 | -178 | 56.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 372 | M | 40.1 | Very low | 47.4 | Very low | 162 Ų | 162 | 107.2 Ų | 107.2 | 80% | 0.798 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -125.4 | -1 | 172.3 | -80.6 | -165.5 | 144.8 | 0 | 0 | 114.8 | Q374 | M372-Q374 VanDerWaalsContact C-N 3.31Å; M372-Q374 PolarHBondContact O-N 3.43Å |
| 373 | T | 38.7 | Very low | 50.3 | Low | 70 Ų | 70 | 101.3 Ų | 101.3 | 43% | 0.429 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -76 | -7.3 | -164.7 | -22.4 | 0 | 0 | 0 | 0 | 115.3 | M375 | T373-M375 PolarHBondContact O-N 3.43Å |
| 374 | Q | 38.4 | Very low | 53.2 | Low | 198 Ų | 198 | 93.7 Ų | 93.7 | 93% | 0.925 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -80.1 | -5.3 | -170.3 | -73.2 | -159.1 | -28.4 | 0 | 0 | 116.4 | M372 | M372-Q374 VanDerWaalsContact C-N 3.31Å; M372-Q374 PolarHBondContact O-N 3.43Å |
| 375 | M | 41.2 | Very low | 56 | Low | 177 Ų | 177 | 87.6 Ų | 87.6 | 87% | 0.872 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -123.2 | -23.6 | 173.4 | -80.4 | -70.7 | -73.1 | 0 | 0 | 114.5 | T373 | T373-M375 PolarHBondContact O-N 3.43Å |
| 376 | A | 49.3 | Very low | 58.4 | Low | 14 Ų | 14 | 84.9 Ų | 84.9 | 12% | 0.116 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -82.5 | -26.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | M451 Y468 | A376-M451 HydrophobicContact CB-SD 3.73Å; A376-Y468 HydrophobicContact CB-CD2 3.83Å; A376-Y468 HydrophobicContact CB-CE2 3.82Å; A376-Y468 WeakPolarHBondContact O-CD2 3.29Å; A376-Y468 PolarHBondContact O-N 3.44Å |
| 377 | G | 57.7 | Low | 60.4 | Low | 37 Ų | 37 | 85.5 Ų | 85.5 | 38% | 0.381 | 47% | 0.471 | S | S | . | . | trans | 89.1 | -174.7 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 378 | L | 69.9 | Low | 62.4 | Low | 142 Ų | 142 | 77.7 Ų | 77.7 | 74% | 0.743 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -70.6 | 143.2 | 169.3 | -66.9 | 175.3 | 0 | 0 | 0 | 109.6 | T380 Y468 | L378-T380 PolarHBondContact O-N 2.8Å; L378-Y468 VanDerWaalsContact O-CB 3.25Å; L378-Y468 WeakPolarHBondContact O-CB 3.27Å; L378-Y468 WeakPolarHBondContact O-CD2 3.44Å |
| 379 | P | 80 | Confident | 64.6 | Low | 51 Ų | 51 | 70.9 Ų | 70.9 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | trans | -61.7 | 130.1 | 176.3 | -23.8 | 34.9 | 0 | 0 | 0 | 112.9 | V444 Q448 Y468 | P379-V444 HydrophobicContact CB-CG1 3.58Å; P379-Q448 HydrophobicContact CB-CG 3.92Å; P379-Q448 HydrophobicContact CG-CG 4.39Å; P379-Y468 HydrophobicContact CB-CE1 4.26Å; P379-Y468 HydrophobicContact CB-CE2 4.18Å; P379-Y468 HydrophobicContact CG-CE2 4.19Å | ||
| 380 | T | 88 | Confident | 66.6 | Low | 27 Ų | 27 | 65.3 Ų | 65.3 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | trans | -134.1 | 166.7 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 111 | L378 V382 S447 C469 | L378-T380 PolarHBondContact O-N 2.8Å; T380-V382 PolarHBondContact O-N 2.95Å; T380-V382 PolarHBondContact OG1-O 2.78Å; T380-V382 VanDerWaalsContact OG1-O 3.12Å; T380-S447 WeakPolarHBondContact O-CB 3.26Å; T380-S447 PolarHBondContact O-OG 3.37Å; T380-C469 VanDerWaalsContact CB-O 3.29Å; T380-C469 WeakPolarHBondContact CB-O 3.36Å; T380-C469 PolarHBondContact OG1-O 3.49Å | ||
| 381 | E | 86.5 | Confident | 68.1 | Low | 65 Ų | 65 | 62.8 Ų | 62.8 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -68.4 | -15.2 | 178.2 | -58.1 | -169.9 | 155.2 | 0 | 0 | 113.8 | F441 V444 | E381-F441 PolarHBondContact O-N 2.67Å; E381-V444 HydrophobicContact CG-CG2 3.57Å |
| 382 | V | 87.7 | Confident | 70 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.5 | -177.2 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | T380 V439 E440 C469 P471 Y474 | T380-V382 PolarHBondContact O-N 2.95Å; T380-V382 PolarHBondContact OG1-O 2.78Å; T380-V382 VanDerWaalsContact OG1-O 3.12Å; V382-V439 WeakPolarHBondContact CA-O 3.42Å; V382-E440 HydrophobicContact CG2-CB 4.2Å; V382-E440 HydrophobicContact CG2-CG 4.08Å; V382-C469 HydrophobicContact CB-CB 4.13Å; V382-C469 HydrophobicContact CG1-CB 3.85Å; V382-C469 PolarHBondContact O-N 3.07Å; V382-P471 HydrophobicContact CG2-CB 4.24Å; V382-P471 HydrophobicContact CG2-CG 4.3Å; V382-Y474 HydrophobicContact CB-CG 4.42Å; V382-Y474 HydrophobicContact CG1-CD1 4.17Å; V382-Y474 HydrophobicContact CG1-CD2 3.8Å; V382-Y474 HydrophobicContact CG1-CE2 4.34Å; V382-Y474 HydrophobicContact CG1-CG 3.71Å; V382-Y474 HydrophobicContact CG2-CD1 3.69Å; V382-Y474 HydrophobicContact CG2-CE1 4.4Å; V382-Y474 HydrophobicContact CG2-CG 3.9Å |
| 383 | L | 89 | Confident | 71.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.9 | 175.2 | -170.6 | 64.6 | 0 | 0 | 0 | 110 | L385 V439 F441 A450 M451 L454 Y468 | L383-L385 HydrophobicContact CD2-CD2 3.69Å; L383-L385 HydrophobicContact CG-CD2 3.88Å; L383-V439 PolarHBondContact N-O 3.2Å; L383-V439 PolarHBondContact O-N 3.46Å; L383-F441 HydrophobicContact CB-CE2 4.15Å; L383-F441 HydrophobicContact CD2-CE2 4.49Å; L383-A450 HydrophobicContact CD2-CB 3.98Å; L383-M451 HydrophobicContact CD1-CB 3.87Å; L383-M451 HydrophobicContact CD1-CG 3.94Å; L383-M451 HydrophobicContact CD2-CB 4.26Å; L383-L454 HydrophobicContact CD2-CD1 4.36Å; L383-Y468 HydrophobicContact CD1-CD1 4.4Å; L383-Y468 HydrophobicContact CD1-CE1 4.47Å |
| 384 | C | 85.9 | Confident | 73.5 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.7 | 167.6 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | F438 T466 K467 C469 | C384-F438 HydrophobicContact CB-CD1 3.94Å; C384-F438 HydrophobicContact CB-CE1 3.89Å; C384-F438 VanDerWaalsContact SG-CE1 3.56Å; C384-T466 CarbonylContact O-C 3.48Å; C384-T466 VanDerWaalsContact O-CA 3.26Å; C384-T466 WeakPolarHBondContact O-CA 3.41Å; C384-K467 WeakPolarHBondContact CB-O 3.5Å; C384-K467 PolarHBondContact N-O 2.72Å; C384-K467 PolarHBondContact O-N 2.91Å; C384-C469 HydrophobicContact CB-CB 4.41Å |
| 385 | L | 86.6 | Confident | 75.3 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.9 | 169.1 | -44.6 | 174.8 | 0 | 0 | 0 | 108.4 | L383 M388 V407 K436 I437 V439 L454 T466 | L383-L385 HydrophobicContact CD2-CD2 3.69Å; L383-L385 HydrophobicContact CG-CD2 3.88Å; L385-M388 HydrophobicContact CB-CG 4.39Å; L385-M388 HydrophobicContact CB-SD 3.53Å; L385-M388 VanDerWaalsContact CB-SD 3.53Å; L385-M388 HydrophobicContact CD1-SD 3.66Å; L385-M388 HydrophobicContact CG-SD 4.2Å; L385-V407 HydrophobicContact CD1-CG1 4.38Å; L385-K436 WeakPolarHBondContact O-CA 3.36Å; L385-I437 HydrophobicContact CB-CB 4.24Å; L385-I437 HydrophobicContact CD1-CG2 4.24Å; L385-I437 PolarHBondContact N-O 3.42Å; L385-I437 PolarHBondContact O-N 2.99Å; L385-V439 HydrophobicContact CD1-CG2 4.07Å; L385-L454 HydrophobicContact CD1-CD1 4.35Å; L385-L454 HydrophobicContact CD2-CD1 3.99Å; L385-T466 HydrophobicContact CD2-CG2 3.48Å; L385-T466 VanDerWaalsContact CD2-CG2 3.48Å |
| 386 | M | 81.1 | Confident | 77.1 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 154.5 | -172.4 | -61.3 | 178.7 | 69.1 | 0 | 0 | 109.8 | M388 K436 V465 | M386-M388 VanDerWaalsContact C-N 3.25Å; M386-M388 PolarHBondContact O-N 2.95Å; M386-K436 HydrophobicContact CG-CG 4.43Å; M386-V465 HydrophobicContact CB-CB 4.24Å; M386-V465 PolarHBondContact N-O 3.26Å; M386-V465 PolarHBondContact O-N 2.67Å |
| 387 | N | 75.2 | Confident | 78.4 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 59.1 | 33.6 | 179.6 | -168.4 | 54.2 | 0 | 0 | 0 | 113.6 | R462 V463 | N387-R462 WeakPolarHBondContact O-CB 3.48Å; N387-V463 PolarHBondContact ND2-O 3.14Å |
| 388 | M | 77.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -94.4 | -56.1 | 172.5 | -63 | -169.3 | 67.9 | 0 | 0 | 111.1 | W94 L385 M386 V407 I437 F459 R462 V464 | W94-M388 HydrophobicContact CH2-CE 3.72Å; W94-M388 HydrophobicContact CZ2-CE 3.68Å; L385-M388 HydrophobicContact CB-CG 4.39Å; L385-M388 HydrophobicContact CB-SD 3.53Å; L385-M388 VanDerWaalsContact CB-SD 3.53Å; L385-M388 HydrophobicContact CD1-SD 3.66Å; L385-M388 HydrophobicContact CG-SD 4.2Å; M386-M388 VanDerWaalsContact C-N 3.25Å; M386-M388 PolarHBondContact O-N 2.95Å; M388-V407 HydrophobicContact CE-CG2 4.1Å; M388-I437 HydrophobicContact CB-CD1 4.17Å; M388-I437 HydrophobicContact SD-CD1 4.22Å; M388-F459 HydrophobicContact CB-CB 4.49Å; M388-F459 HydrophobicContact CB-CD1 4.05Å; M388-F459 HydrophobicContact CB-CG 4.4Å; M388-F459 HydrophobicContact CE-CB 3.7Å; M388-F459 HydrophobicContact CE-CD1 4.21Å; M388-F459 HydrophobicContact CE-CD2 3.6Å; M388-F459 HydrophobicContact CE-CE2 4.27Å; M388-F459 HydrophobicContact CE-CG 3.56Å; M388-F459 WeakPolarHBondContact O-CD1 3.25Å; M388-R462 WeakPolarHBondContact O-CD 3.43Å; M388-R462 PolarHBondContact O-NH1 3.06Å; M388-V464 HydrophobicContact CE-CG2 4.21Å; M388-V464 HydrophobicContact CG-CB 4.42Å; M388-V464 HydrophobicContact CG-CG1 4.01Å; M388-V464 HydrophobicContact CG-CG2 4.04Å; M388-V464 HydrophobicContact SD-CG1 3.94Å; M388-V464 HydrophobicContact SD-CG2 4.33Å |
| 389 | V | 78.2 | Confident | 79.8 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | trans | -117.1 | 144 | -169.4 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | E393 L394 I403 I437 F459 | V389-E393 WeakPolarHBondContact CA-OE2 3.37Å; V389-L394 HydrophobicContact CB-CD2 4.44Å; V389-L394 HydrophobicContact CG2-CD1 3.99Å; V389-L394 HydrophobicContact CG2-CD2 4.17Å; V389-L394 HydrophobicContact CG2-CG 4.28Å; V389-I403 HydrophobicContact CG1-CD1 3.82Å; V389-I403 HydrophobicContact CG1-CG1 4.21Å; V389-I403 HydrophobicContact CG1-CG2 3.85Å; V389-I437 HydrophobicContact CG1-CD1 4.02Å; V389-I437 HydrophobicContact CG2-CD1 3.91Å; V389-I437 HydrophobicContact CG2-CG1 4.03Å; V389-F459 HydrophobicContact CG1-CD1 4.5Å; V389-F459 HydrophobicContact CG1-CE1 3.85Å | ||
| 390 | A | 75.1 | Confident | 79.9 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | trans | -82.2 | 161.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E392 E393 | A390-E392 VanDerWaalsContact C-N 3.26Å; A390-E392 PolarHBondContact O-N 2.93Å; A390-E393 HydrophobicContact CB-CG 4.1Å; A390-E393 PolarHBondContact N-OE2 2.76Å; A390-E393 PolarHBondContact O-N 3Å | ||
| 391 | V | 70.4 | Confident | 79.6 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -67.2 | -31.8 | 178.2 | -176 | 0 | 0 | 0 | 0 | 111.4 | L394 P425 | V391-L394 PolarHBondContact O-N 3.34Å; V391-P425 HydrophobicContact CG1-CB 3.67Å; V391-P425 HydrophobicContact CG1-CG 3.71Å |
| 392 | E | 72.9 | Confident | 79.4 | Confident | 167 Ų | 167 | 59.8 Ų | 59.8 | 78% | 0.78 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -65.6 | -42 | 177.7 | -65.9 | 164.4 | -160.9 | 0 | 0 | 112.1 | A390 L394 V395 | A390-E392 VanDerWaalsContact C-N 3.26Å; A390-E392 PolarHBondContact O-N 2.93Å; E392-L394 PolarHBondContact O-N 3.01Å; E392-L394 VanDerWaalsContact O-N 3.08Å; E392-V395 WeakPolarHBondContact O-CB 3.26Å; E392-V395 PolarHBondContact O-N 2.86Å; E392-V395 VanDerWaalsContact O-N 3.11Å |
| 393 | E | 75.6 | Confident | 79.2 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -66.9 | -5.6 | 176.8 | -61.7 | 164.1 | -177.9 | 0 | 0 | 113.3 | V389 A390 I403 R462 | V389-E393 WeakPolarHBondContact CA-OE2 3.37Å; A390-E393 HydrophobicContact CB-CG 4.1Å; A390-E393 PolarHBondContact N-OE2 2.76Å; A390-E393 PolarHBondContact O-N 3Å; E393-I403 HydrophobicContact CB-CD1 4.21Å; E393-R462 VanDerWaalsContact CD-NH1 3.28Å; E393-R462 IonicContact OE1-CZ 3.32Å; E393-R462 VanDerWaalsContact OE1-CZ 3.26Å; E393-R462 IonicContact OE1-NH1 2.67Å; E393-R462 PolarHBondContact OE1-NH1 2.82Å; E393-R462 IonicContact OE1-NH2 3.49Å; E393-R462 PolarHBondContact OE1-NH2 2.61Å; E393-R462 IonicContact OE2-CZ 2.98Å; E393-R462 IonicContact OE2-NH1 3.44Å; E393-R462 PolarHBondContact OE2-NH1 3.13Å; E393-R462 IonicContact OE2-NH2 2.88Å |
| 394 | L | 76.9 | Confident | 79.1 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -108 | 2.7 | 177.5 | -61.1 | 176.5 | 0 | 0 | 0 | 113.1 | V389 V391 E392 Y400 I403 I422 R424 | V389-L394 HydrophobicContact CB-CD2 4.44Å; V389-L394 HydrophobicContact CG2-CD1 3.99Å; V389-L394 HydrophobicContact CG2-CD2 4.17Å; V389-L394 HydrophobicContact CG2-CG 4.28Å; V391-L394 PolarHBondContact O-N 3.34Å; E392-L394 PolarHBondContact O-N 3.01Å; E392-L394 VanDerWaalsContact O-N 3.08Å; L394-Y400 HydrophobicContact CD2-CD2 3.95Å; L394-Y400 HydrophobicContact CD2-CE2 4.46Å; L394-I403 HydrophobicContact CD2-CD1 4.38Å; L394-I422 HydrophobicContact CD1-CG2 3.92Å; L394-I422 HydrophobicContact CD2-CG2 3.62Å; L394-I422 HydrophobicContact CG-CG2 4.43Å; L394-R424 WeakPolarHBondContact O-CD 3.44Å |
| 395 | V | 76.5 | Confident | 79 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 67% | 0.667 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -35.4 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | E392 P425 | E392-V395 WeakPolarHBondContact O-CB 3.26Å; E392-V395 PolarHBondContact O-N 2.86Å; E392-V395 VanDerWaalsContact O-N 3.11Å; V395-P425 HydrophobicContact CG2-CG 3.8Å |
| 396 | D | 78.7 | Confident | 79 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -77.2 | 136.8 | 176.7 | -169.7 | -80.7 | 0 | 0 | 0 | 111.3 | E398 E399 Y400 | D396-E398 WeakPolarHBondContact OD1-CA 3.41Å; D396-E398 WeakPolarHBondContact OD1-CB 3.4Å; D396-E398 PolarHBondContact OD1-N 3.4Å; D396-E399 HydrophobicContact CB-CB 4.19Å; D396-E399 PolarHBondContact OD1-N 2.65Å; D396-Y400 WeakPolarHBondContact O-CB 3.17Å; D396-Y400 PolarHBondContact O-N 3.32Å; D396-Y400 VanDerWaalsContact O-N 3.13Å |
| 397 | E | 76.3 | Confident | 79.3 | Confident | 131 Ų | 131 | 65.2 Ų | 65.2 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -82.8 | -28.4 | -175.1 | -167.7 | 152.3 | -117.4 | 0 | 0 | 112.7 | E401 R424 | E397-E401 PolarHBondContact O-N 2.99Å; E397-R424 IonicContact OE1-NH1 2.95Å |
| 398 | E | 77.9 | Confident | 79.9 | Confident | 153 Ų | 153 | 68 Ų | 68 | 72% | 0.715 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -77.1 | -43 | 176.2 | -172.2 | 172.2 | -174.4 | 0 | 0 | 110.6 | D396 E401 E402 | D396-E398 WeakPolarHBondContact OD1-CA 3.41Å; D396-E398 WeakPolarHBondContact OD1-CB 3.4Å; D396-E398 PolarHBondContact OD1-N 3.4Å; E398-E401 PolarHBondContact O-N 2.87Å; E398-E402 PolarHBondContact O-N 3Å |
| 399 | E | 80.3 | Confident | 80.3 | Confident | 55 Ų | 55 | 73.1 Ų | 73.1 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 174.9 | -172.9 | 154.6 | -126.8 | 0 | 0 | 112.2 | Y93 D396 E401 E402 I403 | Y93-E399 PolarHBondContact OH-OE1 3.09Å; D396-E399 HydrophobicContact CB-CB 4.19Å; D396-E399 PolarHBondContact OD1-N 2.65Å; E399-E401 PolarHBondContact O-N 3.12Å; E399-E402 PolarHBondContact O-N 3.18Å; E399-I403 HydrophobicContact CG-CD1 3.85Å; E399-I403 HydrophobicContact CG-CG1 4.4Å; E399-I403 WeakPolarHBondContact O-CB 3.35Å; E399-I403 WeakPolarHBondContact O-CD1 3.21Å; E399-I403 VanDerWaalsContact O-CG1 3.24Å; E399-I403 WeakPolarHBondContact O-CG1 3.43Å; E399-I403 PolarHBondContact O-N 3.4Å |
| 400 | Y | 81.4 | Confident | 80.7 | Confident | 48 Ų | 48 | 73 Ų | 73 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 172.6 | 178.2 | -91.7 | 0 | 0 | 0 | 112.4 | L394 D396 I403 V404 I422 R424 | L394-Y400 HydrophobicContact CD2-CD2 3.95Å; L394-Y400 HydrophobicContact CD2-CE2 4.46Å; D396-Y400 WeakPolarHBondContact O-CB 3.17Å; D396-Y400 PolarHBondContact O-N 3.32Å; D396-Y400 VanDerWaalsContact O-N 3.13Å; Y400-I403 PolarHBondContact O-N 3.47Å; Y400-V404 HydrophobicContact CD1-CG2 4.26Å; Y400-V404 HydrophobicContact CE1-CG2 3.81Å; Y400-V404 HydrophobicContact CE2-CG2 4.31Å; Y400-V404 WeakPolarHBondContact O-CG2 3.43Å; Y400-V404 PolarHBondContact O-N 2.75Å; Y400-I422 HydrophobicContact CE2-CB 3.95Å; Y400-I422 HydrophobicContact CE2-CG2 4.19Å; Y400-R424 HydrophobicContact CD2-CG 3.79Å; Y400-R424 HydrophobicContact CE2-CG 3.49Å; Y400-R424 VanDerWaalsContact CE2-CG 3.49Å |
| 401 | E | 81.5 | Confident | 81.3 | Confident | 133 Ų | 133 | 71.8 Ų | 71.8 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 176.4 | -73.9 | -166.4 | 166.3 | 0 | 0 | 112.3 | E397 E398 E399 I403 V404 E405 | E397-E401 PolarHBondContact O-N 2.99Å; E398-E401 PolarHBondContact O-N 2.87Å; E399-E401 PolarHBondContact O-N 3.12Å; E401-I403 PolarHBondContact O-N 2.99Å; E401-V404 PolarHBondContact O-N 3.48Å; E401-E405 PolarHBondContact O-N 2.95Å |
| 402 | E | 82.6 | Confident | 82.1 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 172 | -78.8 | -156.8 | 150.9 | 0 | 0 | 112.1 | K92 Y93 E398 E399 E405 D406 | K92-E402 IonicContact NZ-OE1 2.76Å; K92-E402 IonicContact NZ-OE2 2.73Å; K92-E402 PolarHBondContact NZ-OE2 3.15Å; Y93-E402 HydrophobicContact CE2-CB 4.48Å; Y93-E402 WeakPolarHBondContact CE2-OE2 3.5Å; Y93-E402 PolarHBondContact OH-OE2 2.81Å; Y93-E402 VanDerWaalsContact OH-OE2 3.13Å; E398-E402 PolarHBondContact O-N 3Å; E399-E402 PolarHBondContact O-N 3.18Å; E402-E405 PolarHBondContact O-N 3.12Å; E402-D406 WeakPolarHBondContact O-CB 3.46Å; E402-D406 PolarHBondContact O-N 3.36Å |
| 403 | I | 84.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 178.9 | -74.1 | 163.6 | 0 | 0 | 0 | 110.9 | V389 E393 L394 E399 Y400 E401 D406 V407 I422 I437 F459 | V389-I403 HydrophobicContact CG1-CD1 3.82Å; V389-I403 HydrophobicContact CG1-CG1 4.21Å; V389-I403 HydrophobicContact CG1-CG2 3.85Å; E393-I403 HydrophobicContact CB-CD1 4.21Å; L394-I403 HydrophobicContact CD2-CD1 4.38Å; E399-I403 HydrophobicContact CG-CD1 3.85Å; E399-I403 HydrophobicContact CG-CG1 4.4Å; E399-I403 WeakPolarHBondContact O-CB 3.35Å; E399-I403 WeakPolarHBondContact O-CD1 3.21Å; E399-I403 VanDerWaalsContact O-CG1 3.24Å; E399-I403 WeakPolarHBondContact O-CG1 3.43Å; E399-I403 PolarHBondContact O-N 3.4Å; Y400-I403 PolarHBondContact O-N 3.47Å; E401-I403 PolarHBondContact O-N 2.99Å; I403-D406 PolarHBondContact O-N 3.39Å; I403-V407 HydrophobicContact CG2-CG2 4.45Å; I403-V407 WeakPolarHBondContact O-CB 3.35Å; I403-V407 VanDerWaalsContact O-CG2 3.25Å; I403-V407 WeakPolarHBondContact O-CG2 3.46Å; I403-V407 PolarHBondContact O-N 3.41Å; I403-I422 HydrophobicContact CG2-CD1 3.82Å; I403-I437 HydrophobicContact CG2-CD1 4.29Å; I403-F459 HydrophobicContact CG1-CZ 4.3Å |
| 404 | V | 85.4 | Confident | 83.1 | Confident | 40 Ų | 40 | 69 Ų | 69 | 24% | 0.242 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | -179.8 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | Y400 E401 R408 I422 | Y400-V404 HydrophobicContact CD1-CG2 4.26Å; Y400-V404 HydrophobicContact CE1-CG2 3.81Å; Y400-V404 HydrophobicContact CE2-CG2 4.31Å; Y400-V404 WeakPolarHBondContact O-CG2 3.43Å; Y400-V404 PolarHBondContact O-N 2.75Å; E401-V404 PolarHBondContact O-N 3.48Å; V404-R408 WeakPolarHBondContact O-CB 3.32Å; V404-R408 PolarHBondContact O-N 2.96Å; V404-R408 VanDerWaalsContact O-N 3.09Å; V404-I422 HydrophobicContact CG2-CD1 3.73Å; V404-I422 HydrophobicContact CG2-CG1 4.5Å |
| 405 | E | 84.9 | Confident | 83.5 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 58% | 0.575 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.2 | -51.7 | 174.2 | -74.9 | -151.5 | 143.8 | 0 | 0 | 112.1 | K89 E401 E402 V407 R408 D409 | K89-E405 IonicContact NZ-OE2 3.76Å; E401-E405 PolarHBondContact O-N 2.95Å; E402-E405 PolarHBondContact O-N 3.12Å; E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 2.95Å; E405-R408 PolarHBondContact O-N 3.27Å; E405-R408 VanDerWaalsContact O-N 3.11Å; E405-D409 PolarHBondContact O-N 3.33Å |
| 406 | D | 86.3 | Confident | 83.9 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.2 | -26.5 | -171 | -143.2 | 22.6 | 0 | 0 | 0 | 112.4 | K91 W94 E402 I403 E410 | K91-D406 IonicContact NZ-OD1 2.73Å; K91-D406 PolarHBondContact NZ-OD1 2.88Å; W94-D406 PolarHBondContact NE1-O 3.27Å; E402-D406 WeakPolarHBondContact O-CB 3.46Å; E402-D406 PolarHBondContact O-N 3.36Å; I403-D406 PolarHBondContact O-N 3.39Å; D406-E410 WeakPolarHBondContact O-CB 3.41Å; D406-E410 PolarHBondContact O-N 3.31Å |
| 407 | V | 87.7 | Confident | 84.5 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.6 | -44.8 | 167.3 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L385 M388 I403 E405 E410 C411 I420 I437 V439 | L385-V407 HydrophobicContact CD1-CG1 4.38Å; M388-V407 HydrophobicContact CE-CG2 4.1Å; I403-V407 HydrophobicContact CG2-CG2 4.45Å; I403-V407 WeakPolarHBondContact O-CB 3.35Å; I403-V407 VanDerWaalsContact O-CG2 3.25Å; I403-V407 WeakPolarHBondContact O-CG2 3.46Å; I403-V407 PolarHBondContact O-N 3.41Å; E405-V407 VanDerWaalsContact C-N 3.33Å; E405-V407 PolarHBondContact O-N 2.95Å; V407-E410 PolarHBondContact O-N 3.05Å; V407-C411 WeakPolarHBondContact O-CB 3.5Å; V407-C411 PolarHBondContact O-N 3.02Å; V407-C411 PolarHBondContact O-SG 2.89Å; V407-I420 HydrophobicContact CG1-CD1 4.42Å; V407-I437 HydrophobicContact CG1-CG2 3.99Å; V407-I437 HydrophobicContact CG2-CD1 4.04Å; V407-V439 HydrophobicContact CG1-CG2 4.26Å |
| 408 | R | 87.8 | Confident | 85 | Confident | 149 Ų | 149 | 66.5 Ų | 66.5 | 56% | 0.562 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | -179.4 | -171.7 | 179.9 | -174 | -166.5 | 3.8 | 111.8 | V404 E405 E410 C411 S412 I420 | V404-R408 WeakPolarHBondContact O-CB 3.32Å; V404-R408 PolarHBondContact O-N 2.96Å; V404-R408 VanDerWaalsContact O-N 3.09Å; E405-R408 PolarHBondContact O-N 3.27Å; E405-R408 VanDerWaalsContact O-N 3.11Å; R408-E410 VanDerWaalsContact C-N 3.33Å; R408-E410 PolarHBondContact O-N 3.43Å; R408-C411 PolarHBondContact O-N 2.89Å; R408-S412 VanDerWaalsContact O-CB 3.26Å; R408-S412 WeakPolarHBondContact O-CB 3.47Å; R408-S412 PolarHBondContact O-N 2.85Å; R408-S412 PolarHBondContact O-OG 2.9Å; R408-I420 HydrophobicContact CB-CD1 3.58Å; R408-I420 HydrophobicContact CG-CD1 3.85Å |
| 409 | D | 86.3 | Confident | 85.5 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.6 | -33.2 | 178.8 | -103.6 | 23.2 | 0 | 0 | 0 | 112.1 | E405 | E405-D409 PolarHBondContact O-N 3.33Å |
| 410 | E | 86 | Confident | 85.9 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.8 | -41.8 | 175.9 | -156.2 | 65 | -147.7 | 0 | 0 | 112 | K91 W94 D406 V407 R408 S412 K413 Y414 L454 R457 | K91-E410 WeakPolarHBondContact CE-OE2 3.42Å; K91-E410 IonicContact NZ-OE2 3.83Å; K91-E410 PolarHBondContact NZ-OE2 2.97Å; W94-E410 HydrophobicContact CD2-CG 4.21Å; W94-E410 HydrophobicContact CH2-CG 4.24Å; W94-E410 HydrophobicContact CZ2-CB 3.89Å; W94-E410 HydrophobicContact CZ2-CG 3.78Å; D406-E410 WeakPolarHBondContact O-CB 3.41Å; D406-E410 PolarHBondContact O-N 3.31Å; V407-E410 PolarHBondContact O-N 3.05Å; R408-E410 VanDerWaalsContact C-N 3.33Å; R408-E410 PolarHBondContact O-N 3.43Å; E410-S412 PolarHBondContact O-N 3.29Å; E410-K413 WeakPolarHBondContact O-CB 3.41Å; E410-K413 PolarHBondContact O-N 3.36Å; E410-K413 WeakPolarHBondContact OE1-CD 3.38Å; E410-K413 IonicContact OE1-NZ 3.99Å; E410-K413 PolarHBondContact OE1-NZ 3.26Å; E410-K413 WeakPolarHBondContact OE2-CE 3.22Å; E410-K413 IonicContact OE2-NZ 2.74Å; E410-K413 PolarHBondContact OE2-NZ 2.58Å; E410-Y414 VanDerWaalsContact O-CD2 3.25Å; E410-Y414 WeakPolarHBondContact O-CD2 3.4Å; E410-Y414 VanDerWaalsContact O-CE2 3.27Å; E410-Y414 WeakPolarHBondContact O-CE2 3.44Å; E410-L454 HydrophobicContact CG-CD2 4.11Å; E410-R457 IonicContact OE1-CZ 2.71Å; E410-R457 IonicContact OE1-NH1 3.3Å; E410-R457 PolarHBondContact OE1-NH1 3.18Å |
| 411 | C | 87.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -38 | 176.6 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | V407 R408 K413 Y414 V417 V439 F441 | V407-C411 WeakPolarHBondContact O-CB 3.5Å; V407-C411 PolarHBondContact O-N 3.02Å; V407-C411 PolarHBondContact O-SG 2.89Å; R408-C411 PolarHBondContact O-N 2.89Å; C411-K413 PolarHBondContact O-N 2.76Å; C411-Y414 PolarHBondContact O-N 2.94Å; C411-V417 HydrophobicContact CB-CG2 3.63Å; C411-V439 HydrophobicContact CB-CG1 4.21Å; C411-F441 HydrophobicContact CB-CE1 4.25Å; C411-F441 HydrophobicContact CB-CZ 3.99Å |
| 412 | S | 88.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 43% | 0.427 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.2 | -179.2 | -59.4 | 0 | 0 | 0 | 0 | 114.3 | R408 E410 G415 | R408-S412 VanDerWaalsContact O-CB 3.26Å; R408-S412 WeakPolarHBondContact O-CB 3.47Å; R408-S412 PolarHBondContact O-N 2.85Å; R408-S412 PolarHBondContact O-OG 2.9Å; E410-S412 PolarHBondContact O-N 3.29Å; S412-G415 WeakPolarHBondContact CA-O 3.5Å |
| 413 | K | 85.6 | Confident | 86.3 | Confident | 120 Ų | 120 | 51.3 Ų | 51.3 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27.2 | 171.6 | -63.3 | 172.8 | 179 | -179.3 | 0 | 113.1 | E410 C411 | E410-K413 WeakPolarHBondContact O-CB 3.41Å; E410-K413 PolarHBondContact O-N 3.36Å; E410-K413 WeakPolarHBondContact OE1-CD 3.38Å; E410-K413 IonicContact OE1-NZ 3.99Å; E410-K413 PolarHBondContact OE1-NZ 3.26Å; E410-K413 WeakPolarHBondContact OE2-CE 3.22Å; E410-K413 IonicContact OE2-NZ 2.74Å; E410-K413 PolarHBondContact OE2-NZ 2.58Å; C411-K413 PolarHBondContact O-N 2.76Å |
| 414 | Y | 84.4 | Confident | 86.1 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 11% | 0.114 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -39 | -173.2 | -61.4 | -78.6 | 0 | 0 | 0 | 111.2 | E410 C411 K449 A450 G453 L454 R457 | E410-Y414 VanDerWaalsContact O-CD2 3.25Å; E410-Y414 WeakPolarHBondContact O-CD2 3.4Å; E410-Y414 VanDerWaalsContact O-CE2 3.27Å; E410-Y414 WeakPolarHBondContact O-CE2 3.44Å; C411-Y414 PolarHBondContact O-N 2.94Å; Y414-K449 HydrophobicContact CD1-CG 4.29Å; Y414-K449 WeakPolarHBondContact CD1-O 3.31Å; Y414-K449 WeakPolarHBondContact O-CD 3.28Å; Y414-K449 WeakPolarHBondContact O-CE 3.24Å; Y414-K449 PolarHBondContact O-NZ 3.13Å; Y414-A450 HydrophobicContact CD2-CB 4.48Å; Y414-A450 HydrophobicContact CG-CB 4.18Å; Y414-G453 PolarHBondContact OH-O 2.93Å; Y414-L454 HydrophobicContact CD2-CD2 4.43Å; Y414-L454 HydrophobicContact CD2-CG 4.4Å; Y414-L454 HydrophobicContact CE2-CD2 3.76Å; Y414-L454 HydrophobicContact CE2-CG 4.06Å; Y414-R457 PolarHBondContact OH-NH2 2.89Å |
| 415 | G | 84.4 | Confident | 85.5 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -171.5 | -178.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S412 V417 D446 | S412-G415 WeakPolarHBondContact CA-O 3.5Å; G415-V417 PolarHBondContact O-N 3.11Å; G415-D446 VanDerWaalsContact CA-CG 3.42Å; G415-D446 WeakPolarHBondContact CA-OD2 3.49Å |
| 416 | Q | 85.7 | Confident | 84.8 | Confident | 128 Ų | 128 | 54.6 Ų | 54.6 | 60% | 0.598 | 27% | 0.271 | S | S | * | . | trans | -80.8 | 110.4 | -174.6 | -171.9 | 166.7 | -6.5 | 0 | 0 | 111.2 | K418 F441 M442 D446 | Q416-K418 PolarHBondContact O-N 3.08Å; Q416-F441 CarbonylContact O-C 3.59Å; Q416-F441 WeakPolarHBondContact O-CA 3.35Å; Q416-M442 HydrophobicContact CB-CB 4.33Å; Q416-M442 HydrophobicContact CB-CG 4.27Å; Q416-M442 HydrophobicContact CB-SD 4.25Å; Q416-M442 HydrophobicContact CG-CG 4.14Å; Q416-M442 HydrophobicContact CG-SD 3.7Å; Q416-M442 PolarHBondContact O-N 2.62Å; Q416-D446 PolarHBondContact N-OD2 3.29Å | ||
| 417 | V | 90.6 | Very high | 83.5 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.1 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | C411 G415 I420 V439 F441 | C411-V417 HydrophobicContact CB-CG2 3.63Å; G415-V417 PolarHBondContact O-N 3.11Å; V417-I420 HydrophobicContact CG1-CD1 4.02Å; V417-I420 HydrophobicContact CG1-CG1 3.65Å; V417-V439 HydrophobicContact CG1-CG1 3.85Å; V417-V439 HydrophobicContact CG2-CG1 4.14Å; V417-F441 HydrophobicContact CG2-CD1 4.21Å; V417-F441 HydrophobicContact CG2-CE1 3.81Å; V417-F441 HydrophobicContact CG2-CZ 4.41Å |
| 418 | K | 87.1 | Confident | 82 | Confident | 111 Ų | 111 | 65.7 Ų | 65.7 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -44.9 | -177.9 | -178.3 | 179.5 | 157.3 | -156.5 | 0 | 111.4 | Q416 E440 M442 | Q416-K418 PolarHBondContact O-N 3.08Å; K418-E440 HydrophobicContact CB-CB 4.49Å; K418-E440 HydrophobicContact CB-CG 4.15Å; K418-E440 WeakPolarHBondContact CB-O 3.39Å; K418-E440 VanDerWaalsContact CD-CD 3.45Å; K418-E440 HydrophobicContact CD-CG 3.94Å; K418-E440 VanDerWaalsContact CD-OE2 3.31Å; K418-E440 WeakPolarHBondContact CD-OE2 3.38Å; K418-E440 VanDerWaalsContact CE-CD 3.4Å; K418-E440 VanDerWaalsContact CE-OE1 3.24Å; K418-E440 WeakPolarHBondContact CE-OE1 3.26Å; K418-E440 VanDerWaalsContact CE-OE2 3.28Å; K418-E440 WeakPolarHBondContact CE-OE2 3.31Å; K418-E440 HydrophobicContact CG-CG 4.37Å; K418-E440 VanDerWaalsContact CG-OE2 3.28Å; K418-E440 WeakPolarHBondContact CG-OE2 3.28Å; K418-E440 PolarHBondContact N-O 2.95Å; K418-E440 VanDerWaalsContact NZ-CD 3.31Å; K418-E440 IonicContact NZ-OE1 2.97Å; K418-E440 PolarHBondContact NZ-OE1 2.73Å; K418-E440 IonicContact NZ-OE2 2.91Å; K418-M442 HydrophobicContact CB-CG 3.96Å; K418-M442 HydrophobicContact CG-CG 4.44Å |
| 419 | S | 87.9 | Confident | 80.7 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 159.9 | 171.8 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | E440 Y474 | S419-E440 PolarHBondContact N-O 3.37Å; S419-E440 PolarHBondContact O-N 3Å; S419-E440 VanDerWaalsContact OG-CB 3.3Å; S419-E440 WeakPolarHBondContact OG-CB 3.28Å; S419-E440 PolarHBondContact OG-OE2 3.3Å; S419-Y474 WeakPolarHBondContact OG-CE1 3.41Å; S419-Y474 PolarHBondContact OG-OH 3.05Å |
| 420 | I | 88.4 | Confident | 79.2 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.2 | 174.3 | -59.7 | 177.3 | 0 | 0 | 0 | 107.2 | V407 R408 V417 I422 I437 F438 V439 | V407-I420 HydrophobicContact CG1-CD1 4.42Å; R408-I420 HydrophobicContact CB-CD1 3.58Å; R408-I420 HydrophobicContact CG-CD1 3.85Å; V417-I420 HydrophobicContact CG1-CD1 4.02Å; V417-I420 HydrophobicContact CG1-CG1 3.65Å; I420-I422 HydrophobicContact CG2-CG1 4.24Å; I420-I437 HydrophobicContact CG2-CG2 4.49Å; I420-F438 CarbonylContact C-O 3.59Å; I420-F438 WeakPolarHBondContact CA-O 3.36Å; I420-V439 HydrophobicContact CG1-CG1 4.26Å; I420-V439 HydrophobicContact CG1-CG2 4.37Å |
| 421 | E | 85.3 | Confident | 78.2 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134 | 172.5 | -178.8 | 92.8 | 140 | 0 | 0 | 109.6 | F438 Y474 R477 F479 | E421-F438 PolarHBondContact N-O 3.47Å; E421-F438 PolarHBondContact O-N 3.03Å; E421-Y474 HydrophobicContact CB-CE2 3.87Å; E421-R477 IonicContact OE1-CZ 3.05Å; E421-R477 IonicContact OE1-NE 2.88Å; E421-R477 PolarHBondContact OE1-NE 2.94Å; E421-R477 IonicContact OE1-NH2 2.67Å; E421-R477 PolarHBondContact OE1-NH2 2.82Å; E421-R477 IonicContact OE2-NH2 3.64Å; E421-F479 HydrophobicContact CB-CZ 4.48Å; E421-F479 HydrophobicContact CG-CE1 4.46Å; E421-F479 HydrophobicContact CG-CE2 4.03Å; E421-F479 HydrophobicContact CG-CZ 3.64Å |
| 422 | I | 87.8 | Confident | 76.8 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | trans | -127.2 | 106.8 | 173.3 | -54.1 | -174.9 | 0 | 0 | 0 | 108.2 | L394 Y400 I403 V404 I420 R424 I437 | L394-I422 HydrophobicContact CD1-CG2 3.92Å; L394-I422 HydrophobicContact CD2-CG2 3.62Å; L394-I422 HydrophobicContact CG-CG2 4.43Å; Y400-I422 HydrophobicContact CE2-CB 3.95Å; Y400-I422 HydrophobicContact CE2-CG2 4.19Å; I403-I422 HydrophobicContact CG2-CD1 3.82Å; V404-I422 HydrophobicContact CG2-CD1 3.73Å; V404-I422 HydrophobicContact CG2-CG1 4.5Å; I420-I422 HydrophobicContact CG2-CG1 4.24Å; I422-R424 PolarHBondContact O-N 3.03Å; I422-I437 HydrophobicContact CD1-CD1 3.93Å; I422-I437 HydrophobicContact CD1-CG1 3.93Å; I422-I437 HydrophobicContact CD1-CG2 4.18Å; I422-I437 HydrophobicContact CG1-CB 4.34Å; I422-I437 HydrophobicContact CG1-CG1 3.97Å; I422-I437 HydrophobicContact CG1-CG2 4.02Å; I422-I437 HydrophobicContact CG2-CG1 4.18Å | ||
| 423 | P | 81.9 | Confident | 75.6 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | trans | -64.5 | 107.1 | 179.3 | -23.6 | 35.5 | 0 | 0 | 0 | 111.3 | V431 K436 F438 F479 | P423-V431 HydrophobicContact CB-CG1 4.16Å; P423-K436 WeakPolarHBondContact CD-O 3.23Å; P423-F438 HydrophobicContact CG-CD2 4.36Å; P423-F438 HydrophobicContact CG-CE2 4.11Å; P423-F479 HydrophobicContact CB-CD2 4.36Å; P423-F479 HydrophobicContact CG-CB 4.43Å; P423-F479 HydrophobicContact CG-CD2 3.58Å; P423-F479 HydrophobicContact CG-CE2 3.97Å; P423-F479 HydrophobicContact CG-CG 4.06Å | ||
| 424 | R | 79.4 | Confident | 74.7 | Confident | 105 Ų | 105 | 68 Ų | 68 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | trans | -74.1 | 146 | 172.7 | -65.8 | -161.8 | -71.8 | -162.1 | 6 | 110.9 | L394 E397 Y400 I422 | L394-R424 WeakPolarHBondContact O-CD 3.44Å; E397-R424 IonicContact OE1-NH1 2.95Å; Y400-R424 HydrophobicContact CD2-CG 3.79Å; Y400-R424 HydrophobicContact CE2-CG 3.49Å; Y400-R424 VanDerWaalsContact CE2-CG 3.49Å; I422-R424 PolarHBondContact O-N 3.03Å | ||
| 425 | P | 73.1 | Confident | 74 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 25% | 0.247 | 38% | 0.38 | C | S | . | . | trans | -62.8 | 159.2 | 169.3 | 29.9 | -36.7 | 0 | 0 | 0 | 111.4 | V391 V395 T434 | V391-P425 HydrophobicContact CG1-CB 3.67Å; V391-P425 HydrophobicContact CG1-CG 3.71Å; V395-P425 HydrophobicContact CG2-CG 3.8Å; P425-T434 HydrophobicContact CB-CG2 4.32Å | ||
| 426 | V | 70.9 | Confident | 74 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -132.6 | 130.4 | 172.7 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | G428 L429 V431 | V426-G428 PolarHBondContact O-N 3.33Å; V426-G428 VanDerWaalsContact O-N 3.16Å; V426-L429 PolarHBondContact O-N 2.81Å; V426-L429 VanDerWaalsContact O-O 3.12Å; V426-V431 HydrophobicContact CB-CG2 4.2Å; V426-V431 HydrophobicContact CG2-CG2 4.02Å |
| 427 | D | 57.5 | Low | 74 | Confident | 174 Ų | 174 | 62.1 Ų | 62.1 | 93% | 0.93 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 121.1 | -176 | -80.3 | -44.2 | 0 | 0 | 0 | 112.6 | ||
| 428 | G | 56 | Low | 74 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 90% | 0.897 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 9.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V426 | V426-G428 PolarHBondContact O-N 3.33Å; V426-G428 VanDerWaalsContact O-N 3.16Å |
| 429 | L | 61.8 | Low | 74.1 | Confident | 124 Ų | 124 | 56 Ų | 56 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | B | Isolated β-bridge | trans | -136.5 | 122.9 | 177.5 | -147.6 | 77.5 | 0 | 0 | 0 | 112.4 | V426 V431 | V426-L429 PolarHBondContact O-N 2.81Å; V426-L429 VanDerWaalsContact O-O 3.12Å; L429-V431 PolarHBondContact O-N 3.04Å |
| 430 | E | 55.1 | Low | 74.3 | Confident | 194 Ų | 194 | 54.4 Ų | 54.4 | 91% | 0.907 | 31% | 0.312 | S | S | * | . | trans | -68.9 | 111.8 | 169.9 | -67.2 | -175.7 | 138.1 | 0 | 0 | 109.6 | ||||
| 431 | V | 63.2 | Low | 74.4 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | trans | -92.7 | 120 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 108.7 | P423 V426 L429 G433 T434 | P423-V431 HydrophobicContact CB-CG1 4.16Å; V426-V431 HydrophobicContact CB-CG2 4.2Å; V426-V431 HydrophobicContact CG2-CG2 4.02Å; L429-V431 PolarHBondContact O-N 3.04Å; V431-G433 PolarHBondContact O-N 3.11Å; V431-T434 HydrophobicContact CB-CG2 3.86Å; V431-T434 HydrophobicContact CG1-CG2 4.29Å; V431-T434 WeakPolarHBondContact O-CG2 3.47Å; V431-T434 PolarHBondContact O-N 2.87Å; V431-T434 PolarHBondContact O-OG1 3.15Å | ||
| 432 | P | 59.5 | Low | 74.3 | Confident | 83 Ų | 83 | 55.5 Ų | 55.5 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 132.7 | 175.2 | -26.6 | 35.6 | 0 | 0 | 0 | 111.5 | F479 | P432-F479 CarbonylContact C-O 3.56Å; P432-F479 WeakPolarHBondContact O-CB 3.49Å |
| 433 | G | 61.7 | Low | 74.1 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 6.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | V431 G435 K436 F479 | V431-G433 PolarHBondContact O-N 3.11Å; G433-G435 PolarHBondContact O-N 2.84Å; G433-K436 VanDerWaalsContact O-CB 3.26Å; G433-K436 WeakPolarHBondContact O-CB 3.43Å; G433-K436 PolarHBondContact O-N 2.74Å; G433-F479 VanDerWaalsContact CA-O 3.29Å; G433-F479 WeakPolarHBondContact CA-O 3.48Å; G433-F479 PolarHBondContact N-O 3.34Å |
| 434 | T | 68 | Low | 74.2 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 132.9 | 168.4 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | P425 V431 K436 | P425-T434 HydrophobicContact CB-CG2 4.32Å; V431-T434 HydrophobicContact CB-CG2 3.86Å; V431-T434 HydrophobicContact CG1-CG2 4.29Å; V431-T434 WeakPolarHBondContact O-CG2 3.47Å; V431-T434 PolarHBondContact O-N 2.87Å; V431-T434 PolarHBondContact O-OG1 3.15Å; T434-K436 VanDerWaalsContact C-N 3.29Å |
| 435 | G | 69.3 | Low | 74.4 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 16% | 0.155 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -2.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G433 | G433-G435 PolarHBondContact O-N 2.84Š|
| 436 | K | 83.5 | Confident | 75.1 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 153.9 | 164.5 | -52.4 | 176.3 | -168.9 | 161 | 0 | 109.6 | L385 M386 P423 G433 T434 F438 F479 W480 | L385-K436 WeakPolarHBondContact O-CA 3.36Å; M386-K436 HydrophobicContact CG-CG 4.43Å; P423-K436 WeakPolarHBondContact CD-O 3.23Å; G433-K436 VanDerWaalsContact O-CB 3.26Å; G433-K436 WeakPolarHBondContact O-CB 3.43Å; G433-K436 PolarHBondContact O-N 2.74Å; T434-K436 VanDerWaalsContact C-N 3.29Å; K436-F438 HydrophobicContact CB-CD2 4.44Å; K436-F438 HydrophobicContact CB-CE2 3.73Å; K436-F438 HydrophobicContact CB-CZ 4.05Å; K436-F438 HydrophobicContact CD-CE2 4.18Å; K436-F438 HydrophobicContact CD-CZ 3.74Å; K436-F479 PolarHBondContact NZ-O 2.93Å; K436-W480 PolarHBondContact NZ-O 3.37Å; K436-W480 PolarHBondContact NZ-OXT 3.07Å |
| 437 | I | 86.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129 | 175.3 | -64.4 | -178.7 | 0 | 0 | 0 | 107.1 | L385 M388 V389 I403 V407 I420 I422 V439 | L385-I437 HydrophobicContact CB-CB 4.24Å; L385-I437 HydrophobicContact CD1-CG2 4.24Å; L385-I437 PolarHBondContact N-O 3.42Å; L385-I437 PolarHBondContact O-N 2.99Å; M388-I437 HydrophobicContact CB-CD1 4.17Å; M388-I437 HydrophobicContact SD-CD1 4.22Å; V389-I437 HydrophobicContact CG1-CD1 4.02Å; V389-I437 HydrophobicContact CG2-CD1 3.91Å; V389-I437 HydrophobicContact CG2-CG1 4.03Å; I403-I437 HydrophobicContact CG2-CD1 4.29Å; V407-I437 HydrophobicContact CG1-CG2 3.99Å; V407-I437 HydrophobicContact CG2-CD1 4.04Å; I420-I437 HydrophobicContact CG2-CG2 4.49Å; I422-I437 HydrophobicContact CD1-CD1 3.93Å; I422-I437 HydrophobicContact CD1-CG1 3.93Å; I422-I437 HydrophobicContact CD1-CG2 4.18Å; I422-I437 HydrophobicContact CG1-CB 4.34Å; I422-I437 HydrophobicContact CG1-CG1 3.97Å; I422-I437 HydrophobicContact CG1-CG2 4.02Å; I422-I437 HydrophobicContact CG2-CG1 4.18Å; I437-V439 HydrophobicContact CG2-CG2 4.18Å |
| 438 | F | 88.9 | Confident | 77.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.4 | -178 | -62.8 | -92.5 | 0 | 0 | 0 | 110 | C384 I420 E421 P423 K436 C469 Y474 F479 | C384-F438 HydrophobicContact CB-CD1 3.94Å; C384-F438 HydrophobicContact CB-CE1 3.89Å; C384-F438 VanDerWaalsContact SG-CE1 3.56Å; I420-F438 CarbonylContact C-O 3.59Å; I420-F438 WeakPolarHBondContact CA-O 3.36Å; E421-F438 PolarHBondContact N-O 3.47Å; E421-F438 PolarHBondContact O-N 3.03Å; P423-F438 HydrophobicContact CG-CD2 4.36Å; P423-F438 HydrophobicContact CG-CE2 4.11Å; K436-F438 HydrophobicContact CB-CD2 4.44Å; K436-F438 HydrophobicContact CB-CE2 3.73Å; K436-F438 HydrophobicContact CB-CZ 4.05Å; K436-F438 HydrophobicContact CD-CE2 4.18Å; K436-F438 HydrophobicContact CD-CZ 3.74Å; F438-C469 HydrophobicContact CD1-CB 4.41Å; F438-Y474 HydrophobicContact CB-CD2 3.75Å; F438-Y474 HydrophobicContact CB-CE2 3.45Å; F438-Y474 VanDerWaalsContact CB-CE2 3.45Å; F438-Y474 HydrophobicContact CD1-CD2 4.39Å; F438-Y474 HydrophobicContact CG-CD2 4.25Å; F438-Y474 HydrophobicContact CG-CE2 4.35Å; F438-F479 HydrophobicContact CD1-CD1 4.4Å; F438-F479 AromaticContact CD2-CD1 3.88Å; F438-F479 HydrophobicContact CD2-CD1 3.88Å; F438-F479 HydrophobicContact CD2-CE1 4.14Å; F438-F479 HydrophobicContact CD2-CG 4.43Å; F438-F479 HydrophobicContact CE1-CD1 4.09Å; F438-F479 HydrophobicContact CE2-CB 3.86Å; F438-F479 AromaticContact CE2-CD1 3.55Å; F438-F479 HydrophobicContact CE2-CD1 3.55Å; F438-F479 HydrophobicContact CE2-CE1 4.27Å; F438-F479 AromaticContact CE2-CG 3.81Å; F438-F479 HydrophobicContact CE2-CG 3.81Å; F438-F479 HydrophobicContact CG-CD1 4.3Å; F438-F479 HydrophobicContact CG-CE1 4.38Å; F438-F479 HydrophobicContact CZ-CB 3.83Å; F438-F479 AromaticContact CZ-CD1 3.65Å; F438-F479 HydrophobicContact CZ-CD1 3.65Å; F438-F479 HydrophobicContact CZ-CG 4.06Å |
| 439 | V | 91.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 117.3 | -176.5 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | V382 L383 L385 V407 C411 V417 I420 I437 F441 | V382-V439 WeakPolarHBondContact CA-O 3.42Å; L383-V439 PolarHBondContact N-O 3.2Å; L383-V439 PolarHBondContact O-N 3.46Å; L385-V439 HydrophobicContact CD1-CG2 4.07Å; V407-V439 HydrophobicContact CG1-CG2 4.26Å; C411-V439 HydrophobicContact CB-CG1 4.21Å; V417-V439 HydrophobicContact CG1-CG1 3.85Å; V417-V439 HydrophobicContact CG2-CG1 4.14Å; I420-V439 HydrophobicContact CG1-CG1 4.26Å; I420-V439 HydrophobicContact CG1-CG2 4.37Å; I437-V439 HydrophobicContact CG2-CG2 4.18Å; V439-F441 HydrophobicContact CB-CE2 4.02Å; V439-F441 HydrophobicContact CB-CZ 4.5Å; V439-F441 HydrophobicContact CG1-CD2 4.13Å; V439-F441 HydrophobicContact CG1-CE1 4.38Å; V439-F441 HydrophobicContact CG1-CE2 3.51Å; V439-F441 HydrophobicContact CG1-CZ 3.65Å |
| 440 | E | 90.1 | Very high | 79.7 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.7 | 173.5 | -174.5 | -171.1 | -142.7 | 0 | 0 | 109.6 | V382 K418 S419 Y474 H475 | V382-E440 HydrophobicContact CG2-CB 4.2Å; V382-E440 HydrophobicContact CG2-CG 4.08Å; K418-E440 HydrophobicContact CB-CB 4.49Å; K418-E440 HydrophobicContact CB-CG 4.15Å; K418-E440 WeakPolarHBondContact CB-O 3.39Å; K418-E440 VanDerWaalsContact CD-CD 3.45Å; K418-E440 HydrophobicContact CD-CG 3.94Å; K418-E440 VanDerWaalsContact CD-OE2 3.31Å; K418-E440 WeakPolarHBondContact CD-OE2 3.38Å; K418-E440 VanDerWaalsContact CE-CD 3.4Å; K418-E440 VanDerWaalsContact CE-OE1 3.24Å; K418-E440 WeakPolarHBondContact CE-OE1 3.26Å; K418-E440 VanDerWaalsContact CE-OE2 3.28Å; K418-E440 WeakPolarHBondContact CE-OE2 3.31Å; K418-E440 HydrophobicContact CG-CG 4.37Å; K418-E440 VanDerWaalsContact CG-OE2 3.28Å; K418-E440 WeakPolarHBondContact CG-OE2 3.28Å; K418-E440 PolarHBondContact N-O 2.95Å; K418-E440 VanDerWaalsContact NZ-CD 3.31Å; K418-E440 IonicContact NZ-OE1 2.97Å; K418-E440 PolarHBondContact NZ-OE1 2.73Å; K418-E440 IonicContact NZ-OE2 2.91Å; S419-E440 PolarHBondContact N-O 3.37Å; S419-E440 PolarHBondContact O-N 3Å; S419-E440 VanDerWaalsContact OG-CB 3.3Å; S419-E440 WeakPolarHBondContact OG-CB 3.28Å; S419-E440 PolarHBondContact OG-OE2 3.3Å; E440-Y474 HydrophobicContact CB-CD1 4.44Å; E440-Y474 HydrophobicContact CB-CE1 3.73Å; E440-Y474 HydrophobicContact CG-CE1 4.28Å; E440-H475 IonicContact OE1-CD2 2.77Å; E440-H475 IonicContact OE1-CE1 3.26Å; E440-H475 IonicContact OE1-NE2 3.71Å; E440-H475 PolarHBondContact OE1-NE2 3.02Å |
| 441 | F | 91.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 163.8 | 174.6 | -67.4 | -92.3 | 0 | 0 | 0 | 111 | E381 L383 C411 Q416 V417 V439 S443 D446 A450 | E381-F441 PolarHBondContact O-N 2.67Å; L383-F441 HydrophobicContact CB-CE2 4.15Å; L383-F441 HydrophobicContact CD2-CE2 4.49Å; C411-F441 HydrophobicContact CB-CE1 4.25Å; C411-F441 HydrophobicContact CB-CZ 3.99Å; Q416-F441 CarbonylContact O-C 3.59Å; Q416-F441 WeakPolarHBondContact O-CA 3.35Å; V417-F441 HydrophobicContact CG2-CD1 4.21Å; V417-F441 HydrophobicContact CG2-CE1 3.81Å; V417-F441 HydrophobicContact CG2-CZ 4.41Å; V439-F441 HydrophobicContact CB-CE2 4.02Å; V439-F441 HydrophobicContact CB-CZ 4.5Å; V439-F441 HydrophobicContact CG1-CD2 4.13Å; V439-F441 HydrophobicContact CG1-CE1 4.38Å; V439-F441 HydrophobicContact CG1-CE2 3.51Å; V439-F441 HydrophobicContact CG1-CZ 3.65Å; F441-S443 PolarHBondContact O-N 2.97Å; F441-D446 HydrophobicContact CB-CB 3.93Å; F441-D446 HydrophobicContact CD1-CB 4Å; F441-D446 HydrophobicContact CG-CB 4.21Å; F441-A450 HydrophobicContact CE1-CB 3.97Å; F441-A450 HydrophobicContact CE2-CB 3.85Å; F441-A450 HydrophobicContact CZ-CB 3.37Å |
| 442 | M | 83.4 | Confident | 81.9 | Confident | 107 Ų | 107 | 42.7 Ų | 42.7 | 53% | 0.527 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -76.9 | 0.5 | 172.6 | -71 | -164.8 | 59.3 | 0 | 0 | 114.2 | Q416 K418 | Q416-M442 HydrophobicContact CB-CB 4.33Å; Q416-M442 HydrophobicContact CB-CG 4.27Å; Q416-M442 HydrophobicContact CB-SD 4.25Å; Q416-M442 HydrophobicContact CG-CG 4.14Å; Q416-M442 HydrophobicContact CG-SD 3.7Å; Q416-M442 PolarHBondContact O-N 2.62Å; K418-M442 HydrophobicContact CB-CG 3.96Å; K418-M442 HydrophobicContact CG-CG 4.44Å |
| 443 | S | 83 | Confident | 82.7 | Confident | 42 Ų | 42 | 39.7 Ų | 39.7 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | trans | -159.6 | 145.8 | -178.3 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | F441 F445 D446 S447 | F441-S443 PolarHBondContact O-N 2.97Å; S443-F445 PolarHBondContact O-N 2.76Å; S443-F445 PolarHBondContact OG-N 2.89Å; S443-F445 VanDerWaalsContact OG-N 3.1Å; S443-D446 WeakPolarHBondContact O-CB 3.47Å; S443-D446 PolarHBondContact O-N 2.69Å; S443-S447 PolarHBondContact O-N 2.9Å | ||
| 444 | V | 84.1 | Confident | 83.7 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.8 | -28.8 | 169.9 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | P379 E381 S447 Q448 | P379-V444 HydrophobicContact CB-CG1 3.58Å; E381-V444 HydrophobicContact CG-CG2 3.57Å; V444-S447 PolarHBondContact O-OG 3.1Å; V444-Q448 WeakPolarHBondContact O-CB 3.3Å; V444-Q448 VanDerWaalsContact O-CG 3.23Å; V444-Q448 WeakPolarHBondContact O-CG 3.28Å; V444-Q448 PolarHBondContact O-N 2.86Å |
| 445 | F | 83.8 | Confident | 84.2 | Confident | 136 Ų | 136 | 40.5 Ų | 40.5 | 60% | 0.596 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -71.3 | -35.5 | 176.7 | -173.8 | -102.2 | 0 | 0 | 0 | 111.9 | S443 Q448 K449 | S443-F445 PolarHBondContact O-N 2.76Å; S443-F445 PolarHBondContact OG-N 2.89Å; S443-F445 VanDerWaalsContact OG-N 3.1Å; F445-Q448 PolarHBondContact O-N 2.98Å; F445-K449 WeakPolarHBondContact O-CB 3.43Å; F445-K449 PolarHBondContact O-N 3.36Å |
| 446 | D | 88.4 | Confident | 84.2 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -43.5 | 177.6 | -78.8 | 15 | 0 | 0 | 0 | 110.9 | G415 Q416 F441 S443 K449 A450 | G415-D446 VanDerWaalsContact CA-CG 3.42Å; G415-D446 WeakPolarHBondContact CA-OD2 3.49Å; Q416-D446 PolarHBondContact N-OD2 3.29Å; F441-D446 HydrophobicContact CB-CB 3.93Å; F441-D446 HydrophobicContact CD1-CB 4Å; F441-D446 HydrophobicContact CG-CB 4.21Å; S443-D446 WeakPolarHBondContact O-CB 3.47Å; S443-D446 PolarHBondContact O-N 2.69Å; D446-K449 PolarHBondContact O-N 2.87Å; D446-A450 WeakPolarHBondContact O-CB 3.19Å; D446-A450 PolarHBondContact O-N 2.78Å |
| 447 | S | 86.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -36.7 | 175 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | T380 S443 V444 A450 M451 | T380-S447 WeakPolarHBondContact O-CB 3.26Å; T380-S447 PolarHBondContact O-OG 3.37Å; S443-S447 PolarHBondContact O-N 2.9Å; V444-S447 PolarHBondContact O-OG 3.1Å; S447-A450 PolarHBondContact O-N 3.23Å; S447-M451 WeakPolarHBondContact O-CB 3.4Å; S447-M451 PolarHBondContact O-N 3.19Å |
| 448 | Q | 85.1 | Confident | 83.2 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.8 | -47 | 171.9 | -81.3 | 175.2 | -26.1 | 0 | 0 | 111.8 | P379 V444 F445 A450 M451 Q452 Y468 | P379-Q448 HydrophobicContact CB-CG 3.92Å; P379-Q448 HydrophobicContact CG-CG 4.39Å; V444-Q448 WeakPolarHBondContact O-CB 3.3Å; V444-Q448 VanDerWaalsContact O-CG 3.23Å; V444-Q448 WeakPolarHBondContact O-CG 3.28Å; V444-Q448 PolarHBondContact O-N 2.86Å; F445-Q448 PolarHBondContact O-N 2.98Å; Q448-A450 VanDerWaalsContact C-N 3.35Å; Q448-M451 PolarHBondContact O-N 3.01Å; Q448-Q452 WeakPolarHBondContact O-CG 3.46Å; Q448-Q452 PolarHBondContact O-N 2.91Å; Q448-Q452 VanDerWaalsContact O-N 3.09Å; Q448-Y468 WeakPolarHBondContact CA-OH 3.25Å; Q448-Y468 WeakPolarHBondContact CG-OH 3.38Å |
| 449 | K | 86.1 | Confident | 82.5 | Confident | 96 Ų | 96 | 46.1 Ų | 46.1 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.5 | -35.6 | 178.9 | -174.4 | 174.3 | 160.4 | -141.3 | 0 | 111.7 | Y414 F445 D446 G453 | Y414-K449 HydrophobicContact CD1-CG 4.29Å; Y414-K449 WeakPolarHBondContact CD1-O 3.31Å; Y414-K449 WeakPolarHBondContact O-CD 3.28Å; Y414-K449 WeakPolarHBondContact O-CE 3.24Å; Y414-K449 PolarHBondContact O-NZ 3.13Å; F445-K449 WeakPolarHBondContact O-CB 3.43Å; F445-K449 PolarHBondContact O-N 3.36Å; D446-K449 PolarHBondContact O-N 2.87Å; K449-G453 PolarHBondContact O-N 2.8Å; K449-G453 VanDerWaalsContact O-N 3.11Å |
| 450 | A | 85.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L383 Y414 F441 D446 S447 Q448 Q452 G453 L454 | L383-A450 HydrophobicContact CD2-CB 3.98Å; Y414-A450 HydrophobicContact CD2-CB 4.48Å; Y414-A450 HydrophobicContact CG-CB 4.18Å; F441-A450 HydrophobicContact CE1-CB 3.97Å; F441-A450 HydrophobicContact CE2-CB 3.85Å; F441-A450 HydrophobicContact CZ-CB 3.37Å; D446-A450 WeakPolarHBondContact O-CB 3.19Å; D446-A450 PolarHBondContact O-N 2.78Å; S447-A450 PolarHBondContact O-N 3.23Å; Q448-A450 VanDerWaalsContact C-N 3.35Å; A450-Q452 VanDerWaalsContact C-N 3.35Å; A450-Q452 PolarHBondContact O-N 3.37Å; A450-G453 PolarHBondContact O-N 3.35Å; A450-G453 VanDerWaalsContact O-N 3.15Å; A450-L454 HydrophobicContact CB-CD1 4.18Å; A450-L454 VanDerWaalsContact O-CB 3.28Å; A450-L454 WeakPolarHBondContact O-CB 3.48Å; A450-L454 VanDerWaalsContact O-CG 3.26Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å; A450-L454 PolarHBondContact O-N 3.46Å |
| 451 | M | 84.8 | Confident | 80.3 | Confident | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.4 | -48.5 | 177.1 | -170.2 | -160.1 | 69 | 0 | 0 | 111 | A376 L383 S447 Q448 G453 T455 T466 Y468 | A376-M451 HydrophobicContact CB-SD 3.73Å; L383-M451 HydrophobicContact CD1-CB 3.87Å; L383-M451 HydrophobicContact CD1-CG 3.94Å; L383-M451 HydrophobicContact CD2-CB 4.26Å; S447-M451 WeakPolarHBondContact O-CB 3.4Å; S447-M451 PolarHBondContact O-N 3.19Å; Q448-M451 PolarHBondContact O-N 3.01Å; M451-G453 VanDerWaalsContact C-N 3.34Å; M451-G453 PolarHBondContact O-N 3.36Å; M451-T455 VanDerWaalsContact O-CB 3.32Å; M451-T455 WeakPolarHBondContact O-CB 3.46Å; M451-T455 PolarHBondContact O-N 3.11Å; M451-T455 PolarHBondContact O-OG1 3.38Å; M451-T466 WeakPolarHBondContact CG-OG1 3.35Å; M451-Y468 HydrophobicContact CE-CE2 4.34Å; M451-Y468 HydrophobicContact SD-CD2 4.26Å; M451-Y468 HydrophobicContact SD-CE1 4.31Å; M451-Y468 HydrophobicContact SD-CE2 3.41Å; M451-Y468 WeakPolarHBondContact SD-CE2 3.34Å; M451-Y468 PolarHBondContact SD-OH 3.41Å |
| 452 | Q | 78.6 | Confident | 79.1 | Confident | 148 Ų | 148 | 56.6 Ų | 56.6 | 69% | 0.692 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.8 | -37 | 177.6 | -69.1 | 175.2 | 13.9 | 0 | 0 | 112.7 | Q448 A450 | Q448-Q452 WeakPolarHBondContact O-CG 3.46Å; Q448-Q452 PolarHBondContact O-N 2.91Å; Q448-Q452 VanDerWaalsContact O-N 3.09Å; A450-Q452 VanDerWaalsContact C-N 3.35Å; A450-Q452 PolarHBondContact O-N 3.37Å |
| 453 | G | 77 | Confident | 78.5 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -81.3 | -29.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y414 K449 A450 M451 R457 | Y414-G453 PolarHBondContact OH-O 2.93Å; K449-G453 PolarHBondContact O-N 2.8Å; K449-G453 VanDerWaalsContact O-N 3.11Å; A450-G453 PolarHBondContact O-N 3.35Å; A450-G453 VanDerWaalsContact O-N 3.15Å; M451-G453 VanDerWaalsContact C-N 3.34Å; M451-G453 PolarHBondContact O-N 3.36Å; G453-R457 WeakPolarHBondContact O-CD 3.15Å; G453-R457 PolarHBondContact O-NE 3.3Å |
| 454 | L | 82.2 | Confident | 78.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -96.9 | -29.9 | -173.9 | -63.5 | 172.2 | 0 | 0 | 0 | 113.4 | W94 L383 L385 E410 Y414 A450 G456 R457 V464 T466 | W94-L454 HydrophobicContact CH2-CD2 3.92Å; L383-L454 HydrophobicContact CD2-CD1 4.36Å; L385-L454 HydrophobicContact CD1-CD1 4.35Å; L385-L454 HydrophobicContact CD2-CD1 3.99Å; E410-L454 HydrophobicContact CG-CD2 4.11Å; Y414-L454 HydrophobicContact CD2-CD2 4.43Å; Y414-L454 HydrophobicContact CD2-CG 4.4Å; Y414-L454 HydrophobicContact CE2-CD2 3.76Å; Y414-L454 HydrophobicContact CE2-CG 4.06Å; A450-L454 HydrophobicContact CB-CD1 4.18Å; A450-L454 VanDerWaalsContact O-CB 3.28Å; A450-L454 WeakPolarHBondContact O-CB 3.48Å; A450-L454 VanDerWaalsContact O-CG 3.26Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å; A450-L454 PolarHBondContact O-N 3.46Å; L454-G456 PolarHBondContact O-N 3Å; L454-R457 WeakPolarHBondContact O-CB 3.46Å; L454-R457 PolarHBondContact O-N 3.45Å; L454-V464 WeakPolarHBondContact O-CB 3.33Å; L454-T466 HydrophobicContact CB-CG2 4.36Å |
| 455 | T | 79.8 | Confident | 77.8 | Confident | 70 Ų | 70 | 53.5 Ų | 53.5 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 130.4 | -178.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | M451 R457 T466 | M451-T455 VanDerWaalsContact O-CB 3.32Å; M451-T455 WeakPolarHBondContact O-CB 3.46Å; M451-T455 PolarHBondContact O-N 3.11Å; M451-T455 PolarHBondContact O-OG1 3.38Å; T455-R457 VanDerWaalsContact C-N 3.26Å; T455-R457 PolarHBondContact O-N 3.41Å; T455-T466 WeakPolarHBondContact OG1-CG2 3.44Å; T455-T466 PolarHBondContact OG1-OG1 2.73Å |
| 456 | G | 69 | Low | 77.7 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -2.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L454 V464 | L454-G456 PolarHBondContact O-N 3Å; G456-V464 PolarHBondContact N-O 2.73Å |
| 457 | R | 77 | Confident | 77.5 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | trans | -67.3 | 170.9 | 169 | -73.3 | -165.3 | 167.7 | -161.2 | -6.4 | 112.1 | W94 D95 E410 Y414 G453 L454 T455 V463 V464 | W94-R457 HydrophobicContact CE3-CB 4.44Å; W94-R457 HydrophobicContact CZ3-CB 3.83Å; D95-R457 IonicContact OD2-NH1 3.09Å; E410-R457 IonicContact OE1-CZ 2.71Å; E410-R457 IonicContact OE1-NH1 3.3Å; E410-R457 PolarHBondContact OE1-NH1 3.18Å; Y414-R457 PolarHBondContact OH-NH2 2.89Å; G453-R457 WeakPolarHBondContact O-CD 3.15Å; G453-R457 PolarHBondContact O-NE 3.3Å; L454-R457 WeakPolarHBondContact O-CB 3.46Å; L454-R457 PolarHBondContact O-N 3.45Å; T455-R457 VanDerWaalsContact C-N 3.26Å; T455-R457 PolarHBondContact O-N 3.41Å; R457-V463 WeakPolarHBondContact O-CA 3.25Å; R457-V464 HydrophobicContact CB-CG2 4.32Å; R457-V464 PolarHBondContact O-N 2.97Å | ||
| 458 | K | 70.8 | Confident | 77.5 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.1 | 171.3 | -78.8 | -169.6 | 165.1 | -167.3 | 0 | 113.1 | W94 N461 R462 | W94-K458 VanDerWaalsContact CE3-O 3.29Å; K458-N461 WeakPolarHBondContact CE-O 3.35Å; K458-N461 PolarHBondContact NZ-OD1 3.48Å; K458-R462 VanDerWaalsContact CA-O 3.22Å; K458-R462 WeakPolarHBondContact CA-O 3.24Å |
| 459 | F | 75.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.7 | 165.6 | -175.7 | -86.4 | 0 | 0 | 0 | 108.3 | Y93 W94 M388 V389 I403 N461 R462 V464 | Y93-F459 HydrophobicContact CD1-CZ 4.46Å; Y93-F459 HydrophobicContact CD2-CE2 4.48Å; Y93-F459 HydrophobicContact CD2-CZ 4.21Å; Y93-F459 HydrophobicContact CG-CE1 4.35Å; Y93-F459 HydrophobicContact CG-CE2 4.17Å; Y93-F459 AromaticContact CG-CZ 3.89Å; Y93-F459 HydrophobicContact CG-CZ 3.89Å; Y93-F459 CarbonylContact O-C 3.58Å; Y93-F459 VanDerWaalsContact O-CA 3.31Å; Y93-F459 WeakPolarHBondContact O-CA 3.23Å; W94-F459 HydrophobicContact CD2-CD2 4.02Å; W94-F459 AromaticContact CE2-CD2 3.6Å; W94-F459 HydrophobicContact CG-CD2 4.36Å; W94-F459 HydrophobicContact CH2-CD2 4.46Å; W94-F459 AromaticContact CZ2-CD2 3.86Å; W94-F459 HydrophobicContact CZ2-CD2 3.86Å; W94-F459 HydrophobicContact CZ3-CB 4.47Å; W94-F459 AromaticContact NE1-CD2 3.7Å; W94-F459 AromaticContact NE1-CE2 3.86Å; M388-F459 HydrophobicContact CB-CB 4.49Å; M388-F459 HydrophobicContact CB-CD1 4.05Å; M388-F459 HydrophobicContact CB-CG 4.4Å; M388-F459 HydrophobicContact CE-CB 3.7Å; M388-F459 HydrophobicContact CE-CD1 4.21Å; M388-F459 HydrophobicContact CE-CD2 3.6Å; M388-F459 HydrophobicContact CE-CE2 4.27Å; M388-F459 HydrophobicContact CE-CG 3.56Å; M388-F459 WeakPolarHBondContact O-CD1 3.25Å; V389-F459 HydrophobicContact CG1-CD1 4.5Å; V389-F459 HydrophobicContact CG1-CE1 3.85Å; I403-F459 HydrophobicContact CG1-CZ 4.3Å; F459-N461 PolarHBondContact O-N 3.39Å; F459-N461 VanDerWaalsContact O-N 3.12Å; F459-R462 PolarHBondContact N-O 3Å; F459-R462 WeakPolarHBondContact O-CA 3.42Å; F459-R462 WeakPolarHBondContact O-CB 3.44Å; F459-R462 PolarHBondContact O-N 3.37Å; F459-V464 HydrophobicContact CB-CG2 4.01Å |
| 460 | A | 71.5 | Confident | 77.1 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 39.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y93 R462 | Y93-A460 HydrophobicContact CD1-CB 4.07Å; Y93-A460 PolarHBondContact O-N 3.48Å; A460-R462 PolarHBondContact O-N 3.49Å |
| 461 | N | 64.4 | Low | 76.8 | Confident | 122 Ų | 122 | 51.4 Ų | 51.4 | 65% | 0.652 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | -13 | -171.9 | -161.1 | 24.4 | 0 | 0 | 0 | 116.3 | K458 F459 | K458-N461 WeakPolarHBondContact CE-O 3.35Å; K458-N461 PolarHBondContact NZ-OD1 3.48Å; F459-N461 PolarHBondContact O-N 3.39Å; F459-N461 VanDerWaalsContact O-N 3.12Å |
| 462 | R | 64.1 | Low | 76.4 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 156.6 | 171.6 | -50.6 | -172.3 | -175.5 | 98.8 | 6.1 | 110.9 | N387 M388 E393 K458 F459 A460 | N387-R462 WeakPolarHBondContact O-CB 3.48Å; M388-R462 WeakPolarHBondContact O-CD 3.43Å; M388-R462 PolarHBondContact O-NH1 3.06Å; E393-R462 VanDerWaalsContact CD-NH1 3.28Å; E393-R462 IonicContact OE1-CZ 3.32Å; E393-R462 VanDerWaalsContact OE1-CZ 3.26Å; E393-R462 IonicContact OE1-NH1 2.67Å; E393-R462 PolarHBondContact OE1-NH1 2.82Å; E393-R462 IonicContact OE1-NH2 3.49Å; E393-R462 PolarHBondContact OE1-NH2 2.61Å; E393-R462 IonicContact OE2-CZ 2.98Å; E393-R462 IonicContact OE2-NH1 3.44Å; E393-R462 PolarHBondContact OE2-NH1 3.13Å; E393-R462 IonicContact OE2-NH2 2.88Å; K458-R462 VanDerWaalsContact CA-O 3.22Å; K458-R462 WeakPolarHBondContact CA-O 3.24Å; F459-R462 PolarHBondContact N-O 3Å; F459-R462 WeakPolarHBondContact O-CA 3.42Å; F459-R462 WeakPolarHBondContact O-CB 3.44Å; F459-R462 PolarHBondContact O-N 3.37Å; A460-R462 PolarHBondContact O-N 3.49Å |
| 463 | V | 71.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.1 | -178.2 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | N387 R457 V465 | N387-V463 PolarHBondContact ND2-O 3.14Å; R457-V463 WeakPolarHBondContact O-CA 3.25Å; V463-V465 PolarHBondContact O-N 2.91Å |
| 464 | V | 77.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 119.8 | 179.4 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | W94 M388 L454 G456 R457 F459 T466 | W94-V464 HydrophobicContact CH2-CG2 4.15Å; W94-V464 HydrophobicContact CZ3-CG2 4.05Å; M388-V464 HydrophobicContact CE-CG2 4.21Å; M388-V464 HydrophobicContact CG-CB 4.42Å; M388-V464 HydrophobicContact CG-CG1 4.01Å; M388-V464 HydrophobicContact CG-CG2 4.04Å; M388-V464 HydrophobicContact SD-CG1 3.94Å; M388-V464 HydrophobicContact SD-CG2 4.33Å; L454-V464 WeakPolarHBondContact O-CB 3.33Å; G456-V464 PolarHBondContact N-O 2.73Å; R457-V464 HydrophobicContact CB-CG2 4.32Å; R457-V464 PolarHBondContact O-N 2.97Å; F459-V464 HydrophobicContact CB-CG2 4.01Å; V464-T466 HydrophobicContact CG1-CG2 3.98Å |
| 465 | V | 76.1 | Confident | 76.7 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.4 | 169.2 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | M386 V463 | M386-V465 HydrophobicContact CB-CB 4.24Å; M386-V465 PolarHBondContact N-O 3.26Å; M386-V465 PolarHBondContact O-N 2.67Å; V463-V465 PolarHBondContact O-N 2.91Å |
| 466 | T | 81.6 | Confident | 76.7 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.1 | -180 | 81.6 | 0 | 0 | 0 | 0 | 112.5 | C384 L385 M451 L454 T455 V464 | C384-T466 CarbonylContact O-C 3.48Å; C384-T466 VanDerWaalsContact O-CA 3.26Å; C384-T466 WeakPolarHBondContact O-CA 3.41Å; L385-T466 HydrophobicContact CD2-CG2 3.48Å; L385-T466 VanDerWaalsContact CD2-CG2 3.48Å; M451-T466 WeakPolarHBondContact CG-OG1 3.35Å; L454-T466 HydrophobicContact CB-CG2 4.36Å; T455-T466 WeakPolarHBondContact OG1-CG2 3.44Å; T455-T466 PolarHBondContact OG1-OG1 2.73Å; V464-T466 HydrophobicContact CG1-CG2 3.98Å |
| 467 | K | 84.2 | Confident | 76.9 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 144.2 | -179 | -171.8 | -165.7 | 171.1 | -168.8 | 0 | 109.7 | C384 | C384-K467 WeakPolarHBondContact CB-O 3.5Å; C384-K467 PolarHBondContact N-O 2.72Å; C384-K467 PolarHBondContact O-N 2.91Å |
| 468 | Y | 85.7 | Confident | 76.6 | Confident | 20 Ų | 20 | 64.2 Ų | 64.2 | 8% | 0.078 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140.4 | 170.1 | -65.2 | -66 | 0 | 0 | 0 | 111 | A376 L378 P379 L383 Q448 M451 | A376-Y468 HydrophobicContact CB-CD2 3.83Å; A376-Y468 HydrophobicContact CB-CE2 3.82Å; A376-Y468 WeakPolarHBondContact O-CD2 3.29Å; A376-Y468 PolarHBondContact O-N 3.44Å; L378-Y468 VanDerWaalsContact O-CB 3.25Å; L378-Y468 WeakPolarHBondContact O-CB 3.27Å; L378-Y468 WeakPolarHBondContact O-CD2 3.44Å; P379-Y468 HydrophobicContact CB-CE1 4.26Å; P379-Y468 HydrophobicContact CB-CE2 4.18Å; P379-Y468 HydrophobicContact CG-CE2 4.19Å; L383-Y468 HydrophobicContact CD1-CD1 4.4Å; L383-Y468 HydrophobicContact CD1-CE1 4.47Å; Q448-Y468 WeakPolarHBondContact CA-OH 3.25Å; Q448-Y468 WeakPolarHBondContact CG-OH 3.38Å; M451-Y468 HydrophobicContact CE-CE2 4.34Å; M451-Y468 HydrophobicContact SD-CD2 4.26Å; M451-Y468 HydrophobicContact SD-CE1 4.31Å; M451-Y468 HydrophobicContact SD-CE2 3.41Å; M451-Y468 WeakPolarHBondContact SD-CE2 3.34Å; M451-Y468 PolarHBondContact SD-OH 3.41Å |
| 469 | C | 80.5 | Confident | 76.6 | Confident | 22 Ų | 22 | 62 Ų | 62 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146 | 175.4 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | T380 V382 C384 F438 P471 | T380-C469 VanDerWaalsContact CB-O 3.29Å; T380-C469 WeakPolarHBondContact CB-O 3.36Å; T380-C469 PolarHBondContact OG1-O 3.49Å; V382-C469 HydrophobicContact CB-CB 4.13Å; V382-C469 HydrophobicContact CG1-CB 3.85Å; V382-C469 PolarHBondContact O-N 3.07Å; C384-C469 HydrophobicContact CB-CB 4.41Å; F438-C469 HydrophobicContact CD1-CB 4.41Å; C469-P471 WeakPolarHBondContact O-CD 3.5Å |
| 470 | D | 82.1 | Confident | 75.6 | Confident | 88 Ų | 88 | 72.7 Ų | 72.7 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | trans | -68.4 | 123.3 | 174.7 | -173.3 | -31.7 | 0 | 0 | 0 | 109.6 | D472 A473 Y474 | D470-D472 PolarHBondContact O-N 3.39Å; D470-D472 WeakPolarHBondContact OD1-CB 3.37Å; D470-D472 PolarHBondContact OD1-N 2.88Å; D470-A473 HydrophobicContact CB-CB 3.94Å; D470-A473 WeakPolarHBondContact O-CB 3.41Å; D470-A473 PolarHBondContact O-N 3.49Å; D470-Y474 PolarHBondContact O-N 3.3Å | ||
| 471 | P | 79.9 | Confident | 75.8 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 21% | 0.208 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.9 | -37.3 | 177.6 | -24.9 | 35.3 | 0 | 0 | 0 | 113.1 | V382 C469 A473 Y474 H475 | V382-P471 HydrophobicContact CG2-CB 4.24Å; V382-P471 HydrophobicContact CG2-CG 4.3Å; C469-P471 WeakPolarHBondContact O-CD 3.5Å; P471-A473 VanDerWaalsContact C-N 3.31Å; P471-A473 PolarHBondContact O-N 3.09Å; P471-Y474 PolarHBondContact O-N 2.82Å; P471-H475 VanDerWaalsContact O-CG 3.32Å; P471-H475 PolarHBondContact O-N 3.43Å; P471-H475 PolarHBondContact O-ND1 3.22Å |
| 472 | D | 75.6 | Confident | 76.4 | Confident | 109 Ų | 109 | 72.3 Ų | 72.3 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.1 | -30.8 | 178.1 | -77.8 | -37.9 | 0 | 0 | 0 | 111.6 | D470 R476 | D470-D472 PolarHBondContact O-N 3.39Å; D470-D472 WeakPolarHBondContact OD1-CB 3.37Å; D470-D472 PolarHBondContact OD1-N 2.88Å; D472-R476 WeakPolarHBondContact O-CB 3.21Å; D472-R476 VanDerWaalsContact O-CG 3.28Å; D472-R476 WeakPolarHBondContact O-CG 3.43Å; D472-R476 PolarHBondContact O-N 2.95Å; D472-R476 PolarHBondContact O-NE 2.94Å; D472-R476 PolarHBondContact O-NH2 3.02Å |
| 473 | A | 79.5 | Confident | 77 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 7% | 0.066 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.4 | -42.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D470 P471 R476 R477 D478 | D470-A473 HydrophobicContact CB-CB 3.94Å; D470-A473 WeakPolarHBondContact O-CB 3.41Å; D470-A473 PolarHBondContact O-N 3.49Å; P471-A473 VanDerWaalsContact C-N 3.31Å; P471-A473 PolarHBondContact O-N 3.09Å; A473-R476 CarbonylContact O-C 3.56Å; A473-R476 PolarHBondContact O-N 2.88Å; A473-R477 PolarHBondContact O-N 2.83Å; A473-R477 VanDerWaalsContact O-N 3.12Å; A473-D478 HydrophobicContact CB-CB 4.37Å; A473-D478 PolarHBondContact O-N 2.8Å |
| 474 | Y | 83.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 176.5 | 176.3 | -109.6 | 0 | 0 | 0 | 112.4 | V382 S419 E421 F438 E440 D470 P471 R476 R477 F479 | V382-Y474 HydrophobicContact CB-CG 4.42Å; V382-Y474 HydrophobicContact CG1-CD1 4.17Å; V382-Y474 HydrophobicContact CG1-CD2 3.8Å; V382-Y474 HydrophobicContact CG1-CE2 4.34Å; V382-Y474 HydrophobicContact CG1-CG 3.71Å; V382-Y474 HydrophobicContact CG2-CD1 3.69Å; V382-Y474 HydrophobicContact CG2-CE1 4.4Å; V382-Y474 HydrophobicContact CG2-CG 3.9Å; S419-Y474 WeakPolarHBondContact OG-CE1 3.41Å; S419-Y474 PolarHBondContact OG-OH 3.05Å; E421-Y474 HydrophobicContact CB-CE2 3.87Å; F438-Y474 HydrophobicContact CB-CD2 3.75Å; F438-Y474 HydrophobicContact CB-CE2 3.45Å; F438-Y474 VanDerWaalsContact CB-CE2 3.45Å; F438-Y474 HydrophobicContact CD1-CD2 4.39Å; F438-Y474 HydrophobicContact CG-CD2 4.25Å; F438-Y474 HydrophobicContact CG-CE2 4.35Å; E440-Y474 HydrophobicContact CB-CD1 4.44Å; E440-Y474 HydrophobicContact CB-CE1 3.73Å; E440-Y474 HydrophobicContact CG-CE1 4.28Å; D470-Y474 PolarHBondContact O-N 3.3Å; P471-Y474 PolarHBondContact O-N 2.82Å; Y474-R476 VanDerWaalsContact C-N 3.26Å; Y474-R476 PolarHBondContact O-N 2.66Å; Y474-R477 WeakPolarHBondContact O-CA 3.12Å; Y474-R477 PolarHBondContact O-N 3.2Å; Y474-F479 AromaticContact CD2-CE1 3.97Å; Y474-F479 HydrophobicContact CD2-CE1 3.97Å; Y474-F479 HydrophobicContact CE2-CE1 4.43Å |
| 475 | H | 81.1 | Confident | 77.4 | Confident | 102 Ų | 102 | 77.4 Ų | 77.4 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67 | -25.5 | 178 | -61 | 151.1 | 0 | 0 | 0 | 113.2 | E440 P471 R477 | E440-H475 IonicContact OE1-CD2 2.77Å; E440-H475 IonicContact OE1-CE1 3.26Å; E440-H475 IonicContact OE1-NE2 3.71Å; E440-H475 PolarHBondContact OE1-NE2 3.02Å; P471-H475 VanDerWaalsContact O-CG 3.32Å; P471-H475 PolarHBondContact O-N 3.43Å; P471-H475 PolarHBondContact O-ND1 3.22Å; H475-R477 VanDerWaalsContact C-N 3.29Å |
| 476 | R | 79.8 | Confident | 77.4 | Confident | 164 Ų | 164 | 77.6 Ų | 77.6 | 62% | 0.619 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.3 | 170.3 | -75.9 | -179.9 | -72.5 | 145.6 | -0.7 | 114 | D472 A473 Y474 D478 | D472-R476 WeakPolarHBondContact O-CB 3.21Å; D472-R476 VanDerWaalsContact O-CG 3.28Å; D472-R476 WeakPolarHBondContact O-CG 3.43Å; D472-R476 PolarHBondContact O-N 2.95Å; D472-R476 PolarHBondContact O-NE 2.94Å; D472-R476 PolarHBondContact O-NH2 3.02Å; A473-R476 CarbonylContact O-C 3.56Å; A473-R476 PolarHBondContact O-N 2.88Å; Y474-R476 VanDerWaalsContact C-N 3.26Å; Y474-R476 PolarHBondContact O-N 2.66Å; R476-D478 VanDerWaalsContact C-N 3.27Å; R476-D478 HydrophobicContact CB-CB 4.35Å; R476-D478 PolarHBondContact O-N 2.96Å |
| 477 | R | 73 | Confident | 77.1 | Confident | 167 Ų | 167 | 82 Ų | 82 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 35.6 | -174.7 | -54.6 | 176.8 | 87.2 | -172.3 | 9 | 113.2 | E421 A473 Y474 H475 F479 | E421-R477 IonicContact OE1-CZ 3.05Å; E421-R477 IonicContact OE1-NE 2.88Å; E421-R477 PolarHBondContact OE1-NE 2.94Å; E421-R477 IonicContact OE1-NH2 2.67Å; E421-R477 PolarHBondContact OE1-NH2 2.82Å; E421-R477 IonicContact OE2-NH2 3.64Å; A473-R477 PolarHBondContact O-N 2.83Å; A473-R477 VanDerWaalsContact O-N 3.12Å; Y474-R477 WeakPolarHBondContact O-CA 3.12Å; Y474-R477 PolarHBondContact O-N 3.2Å; H475-R477 VanDerWaalsContact C-N 3.29Å; R477-F479 VanDerWaalsContact CA-CZ 3.41Å; R477-F479 HydrophobicContact CB-CD2 4.4Å; R477-F479 HydrophobicContact CB-CE1 4.45Å; R477-F479 HydrophobicContact CB-CE2 3.6Å; R477-F479 HydrophobicContact CB-CZ 3.62Å; R477-F479 HydrophobicContact CG-CE2 4.2Å; R477-F479 HydrophobicContact CG-CZ 3.9Å; R477-F479 WeakPolarHBondContact O-CD2 3.26Å; R477-F479 PolarHBondContact O-N 3.04Å |
| 478 | D | 71.8 | Confident | 76.6 | Confident | 71 Ų | 71 | 80.2 Ų | 80.2 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | trans | -93.2 | 70.7 | -174 | -168.1 | 32.3 | 0 | 0 | 0 | 110.8 | A473 R476 W480 | A473-D478 HydrophobicContact CB-CB 4.37Å; A473-D478 PolarHBondContact O-N 2.8Å; R476-D478 VanDerWaalsContact C-N 3.27Å; R476-D478 HydrophobicContact CB-CB 4.35Å; R476-D478 PolarHBondContact O-N 2.96Å; D478-W480 VanDerWaalsContact O-CD1 3.28Å; D478-W480 PolarHBondContact O-N 2.79Å; D478-W480 VanDerWaalsContact O-N 3.16Å; D478-W480 PolarHBondContact OD2-NE1 3.06Å | ||
| 479 | F | 70.5 | Confident | 75.8 | Confident | 17 Ų | 17 | 85.3 Ų | 85.3 | 8% | 0.075 | 38% | 0.381 | C | S | . | . | trans | -88.2 | 39.9 | -163 | -53.5 | -52 | 0 | 0 | 0 | 116.3 | E421 P423 P432 G433 K436 F438 Y474 R477 | E421-F479 HydrophobicContact CB-CZ 4.48Å; E421-F479 HydrophobicContact CG-CE1 4.46Å; E421-F479 HydrophobicContact CG-CE2 4.03Å; E421-F479 HydrophobicContact CG-CZ 3.64Å; P423-F479 HydrophobicContact CB-CD2 4.36Å; P423-F479 HydrophobicContact CG-CB 4.43Å; P423-F479 HydrophobicContact CG-CD2 3.58Å; P423-F479 HydrophobicContact CG-CE2 3.97Å; P423-F479 HydrophobicContact CG-CG 4.06Å; P432-F479 CarbonylContact C-O 3.56Å; P432-F479 WeakPolarHBondContact O-CB 3.49Å; G433-F479 VanDerWaalsContact CA-O 3.29Å; G433-F479 WeakPolarHBondContact CA-O 3.48Å; G433-F479 PolarHBondContact N-O 3.34Å; K436-F479 PolarHBondContact NZ-O 2.93Å; F438-F479 HydrophobicContact CD1-CD1 4.4Å; F438-F479 AromaticContact CD2-CD1 3.88Å; F438-F479 HydrophobicContact CD2-CD1 3.88Å; F438-F479 HydrophobicContact CD2-CE1 4.14Å; F438-F479 HydrophobicContact CD2-CG 4.43Å; F438-F479 HydrophobicContact CE1-CD1 4.09Å; F438-F479 HydrophobicContact CE2-CB 3.86Å; F438-F479 AromaticContact CE2-CD1 3.55Å; F438-F479 HydrophobicContact CE2-CD1 3.55Å; F438-F479 HydrophobicContact CE2-CE1 4.27Å; F438-F479 AromaticContact CE2-CG 3.81Å; F438-F479 HydrophobicContact CE2-CG 3.81Å; F438-F479 HydrophobicContact CG-CD1 4.3Å; F438-F479 HydrophobicContact CG-CE1 4.38Å; F438-F479 HydrophobicContact CZ-CB 3.83Å; F438-F479 AromaticContact CZ-CD1 3.65Å; F438-F479 HydrophobicContact CZ-CD1 3.65Å; F438-F479 HydrophobicContact CZ-CG 4.06Å; Y474-F479 AromaticContact CD2-CE1 3.97Å; Y474-F479 HydrophobicContact CD2-CE1 3.97Å; Y474-F479 HydrophobicContact CE2-CE1 4.43Å; R477-F479 VanDerWaalsContact CA-CZ 3.41Å; R477-F479 HydrophobicContact CB-CD2 4.4Å; R477-F479 HydrophobicContact CB-CE1 4.45Å; R477-F479 HydrophobicContact CB-CE2 3.6Å; R477-F479 HydrophobicContact CB-CZ 3.62Å; R477-F479 HydrophobicContact CG-CE2 4.2Å; R477-F479 HydrophobicContact CG-CZ 3.9Å; R477-F479 WeakPolarHBondContact O-CD2 3.26Å; R477-F479 PolarHBondContact O-N 3.04Å | ||
| 480 | W | 53.2 | Low | 75.4 | Confident | 227 Ų | 227 | 91 Ų | 91 | 86% | 0.86 | 40% | 0.402 | S | S | * | . | trans | -64.8 | 0 | 180 | 47 | -87.6 | 0 | 0 | 0 | 114.6 | K436 D478 | K436-W480 PolarHBondContact NZ-O 3.37Å; K436-W480 PolarHBondContact NZ-OXT 3.07Å; D478-W480 VanDerWaalsContact O-CD1 3.28Å; D478-W480 PolarHBondContact O-N 2.79Å; D478-W480 VanDerWaalsContact O-N 3.16Å; D478-W480 PolarHBondContact OD2-NE1 3.06Å |
Retrieved 480 of 480 residues in 816.2 ms
(Link to these results)