| 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 | 31.1 | Very low | 41.9 | Very low | 245 Ų | 245 | 146.9 Ų | 146.9 | 100% | 1.207 | 74% | 0.74 | S | S | * | * | 0 | 74 | 0 | -56.9 | 177.4 | -154.8 | 0 | 0 | 108.8 | |||||
| 2 | Y | 34.9 | Very low | 42.4 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -127.6 | 3 | -158.5 | -125.9 | -92.5 | 0 | 0 | 0 | 115.8 | ||||
| 3 | N | 38.3 | Very low | 42.8 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | trans | -115.9 | 16.3 | -166.2 | -68.1 | 4.3 | 0 | 0 | 0 | 114.8 | ||||
| 4 | G | 39.3 | Very low | 43 | Very low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -93.8 | -24.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 5 | H | 40.5 | Very low | 43.1 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 85% | 0.847 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -108.1 | -4.1 | -165.2 | -84.2 | -64.9 | 0 | 0 | 0 | 116.5 | ||
| 6 | L | 44.6 | Very low | 43.2 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.7 | -19.3 | -176.5 | -94.2 | 151.8 | 0 | 0 | 0 | 114.7 | ||
| 7 | T | 48.4 | Very low | 43.2 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 57% | 0.571 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.4 | -39.1 | -175.5 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | L9 W10 V11 | T7-L9 PolarHBondContact O-N 2.76Å; T7-W10 PolarHBondContact O-N 3.25Å; T7-V11 PolarHBondContact O-N 2.94Å |
| 8 | H | 45.8 | Very low | 43.2 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.8 | -32.3 | -179.1 | -94.7 | -74.2 | 0 | 0 | 0 | 113.9 | W10 V12 | H8-W10 VanDerWaalsContact C-N 3.29Å; H8-W10 PolarHBondContact O-N 3.46Å; H8-V12 WeakPolarHBondContact O-CG2 3.29Å; H8-V12 PolarHBondContact O-N 2.71Å |
| 9 | L | 44.1 | Very low | 42.6 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.5 | -34 | 175.8 | -146.5 | 80.8 | 0 | 0 | 0 | 111.5 | T7 V12 L13 | T7-L9 PolarHBondContact O-N 2.76Å; L9-V12 PolarHBondContact O-N 2.86Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 PolarHBondContact O-N 2.62Å |
| 10 | W | 45.9 | Very low | 42.3 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.1 | -38.8 | 178.5 | -115.2 | 83.5 | 0 | 0 | 0 | 113.1 | T7 H8 L13 Q14 | T7-W10 PolarHBondContact O-N 3.25Å; H8-W10 VanDerWaalsContact C-N 3.29Å; H8-W10 PolarHBondContact O-N 3.46Å; W10-L13 PolarHBondContact O-N 2.73Å; W10-Q14 HydrophobicContact CE3-CG 4.14Å; W10-Q14 HydrophobicContact CZ3-CG 4.41Å; W10-Q14 WeakPolarHBondContact O-CB 2.99Å; W10-Q14 WeakPolarHBondContact O-CG 3.06Å; W10-Q14 PolarHBondContact O-N 2.88Å |
| 11 | V | 47.7 | Very low | 41.8 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.4 | -40 | 176.4 | 180 | 0 | 0 | 0 | 0 | 111.2 | T7 Q14 V15 | T7-V11 PolarHBondContact O-N 2.94Å; V11-Q14 PolarHBondContact O-N 3.43Å; V11-V15 HydrophobicContact CG1-CG2 4.48Å; V11-V15 WeakPolarHBondContact O-CG2 2.93Å; V11-V15 PolarHBondContact O-N 3.39Å |
| 12 | V | 48.7 | Very low | 41.8 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.5 | -41.2 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | H8 L9 Q14 V15 V16 | H8-V12 WeakPolarHBondContact O-CG2 3.29Å; H8-V12 PolarHBondContact O-N 2.71Å; L9-V12 PolarHBondContact O-N 2.86Å; V12-Q14 VanDerWaalsContact C-N 3.34Å; V12-Q14 PolarHBondContact O-N 2.82Å; V12-V15 PolarHBondContact O-N 2.83Å; V12-V16 HydrophobicContact CG1-CG2 4.4Å; V12-V16 WeakPolarHBondContact O-CB 3.46Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.39Å; V12-V16 PolarHBondContact O-N 2.72Å |
| 13 | L | 47.5 | Very low | 41.4 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.9 | -35 | 173.7 | -88.3 | 158.4 | 0 | 0 | 0 | 113.2 | L9 W10 R17 | L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 PolarHBondContact O-N 2.62Å; W10-L13 PolarHBondContact O-N 2.73Å; L13-R17 WeakPolarHBondContact O-CB 3.45Å; L13-R17 WeakPolarHBondContact O-CG 3.45Å; L13-R17 PolarHBondContact O-N 2.84Å |
| 14 | Q | 44.8 | Very low | 40.9 | Very low | 79 Ų | 79 | 110.8 Ų | 110.8 | 37% | 0.369 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.1 | -47.6 | 172.4 | -79.9 | -76.2 | -19 | 0 | 0 | 111.9 | W10 V11 V12 V16 R17 I18 | W10-Q14 HydrophobicContact CE3-CG 4.14Å; W10-Q14 HydrophobicContact CZ3-CG 4.41Å; W10-Q14 WeakPolarHBondContact O-CB 2.99Å; W10-Q14 WeakPolarHBondContact O-CG 3.06Å; W10-Q14 PolarHBondContact O-N 2.88Å; V11-Q14 PolarHBondContact O-N 3.43Å; V12-Q14 VanDerWaalsContact C-N 3.34Å; V12-Q14 PolarHBondContact O-N 2.82Å; Q14-V16 VanDerWaalsContact C-N 3.34Å; Q14-V16 PolarHBondContact O-N 2.86Å; Q14-R17 CarbonylContact O-C 3.54Å; Q14-R17 PolarHBondContact O-N 3.21Å; Q14-R17 VanDerWaalsContact O-N 3.15Å; Q14-I18 VanDerWaalsContact O-CG1 3.3Å; Q14-I18 WeakPolarHBondContact O-CG1 3.37Å; Q14-I18 PolarHBondContact O-N 3.18Å |
| 15 | V | 44.6 | Very low | 40.1 | Very low | 73 Ų | 73 | 114 Ų | 114 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -39.4 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | V11 V12 I18 L19 | V11-V15 HydrophobicContact CG1-CG2 4.48Å; V11-V15 WeakPolarHBondContact O-CG2 2.93Å; V11-V15 PolarHBondContact O-N 3.39Å; V12-V15 PolarHBondContact O-N 2.83Å; V15-I18 PolarHBondContact O-N 2.99Å; V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CB 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 3.13Å |
| 16 | V | 45.7 | Very low | 39.4 | Very low | 73 Ų | 73 | 114.7 Ų | 114.7 | 44% | 0.442 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66 | -39.2 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | V12 Q14 I18 L20 | V12-V16 HydrophobicContact CG1-CG2 4.4Å; V12-V16 WeakPolarHBondContact O-CB 3.46Å; V12-V16 VanDerWaalsContact O-CG2 3.3Å; V12-V16 WeakPolarHBondContact O-CG2 3.39Å; V12-V16 PolarHBondContact O-N 2.72Å; Q14-V16 VanDerWaalsContact C-N 3.34Å; Q14-V16 PolarHBondContact O-N 2.86Å; V16-I18 VanDerWaalsContact C-N 3.35Å; V16-I18 PolarHBondContact O-N 3.19Å; V16-L20 HydrophobicContact CG1-CD1 3.78Å; V16-L20 HydrophobicContact CG1-CG 4.4Å; V16-L20 WeakPolarHBondContact O-CB 2.95Å; V16-L20 WeakPolarHBondContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.11Å; V16-L20 PolarHBondContact O-N 2.8Å; V16-L20 VanDerWaalsContact O-N 3.08Å |
| 17 | R | 41.7 | Very low | 38.6 | Very low | 184 Ų | 184 | 113.3 Ų | 113.3 | 69% | 0.694 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66 | -31.2 | 172.9 | -88 | -173.7 | 166.8 | -172.1 | -4 | 114 | L13 Q14 P21 | L13-R17 WeakPolarHBondContact O-CB 3.45Å; L13-R17 WeakPolarHBondContact O-CG 3.45Å; L13-R17 PolarHBondContact O-N 2.84Å; Q14-R17 CarbonylContact O-C 3.54Å; Q14-R17 PolarHBondContact O-N 3.21Å; Q14-R17 VanDerWaalsContact O-N 3.15Å; R17-P21 VanDerWaalsContact O-CD 3.25Å; R17-P21 WeakPolarHBondContact O-CD 3.42Å |
| 18 | I | 44.5 | Very low | 37.7 | Very low | 101 Ų | 101 | 114.7 Ų | 114.7 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -83.3 | -29.3 | 179.6 | -67 | 165.2 | 0 | 0 | 0 | 111.7 | Q14 V15 V16 P21 I22 | Q14-I18 VanDerWaalsContact O-CG1 3.3Å; Q14-I18 WeakPolarHBondContact O-CG1 3.37Å; Q14-I18 PolarHBondContact O-N 3.18Å; V15-I18 PolarHBondContact O-N 2.99Å; V16-I18 VanDerWaalsContact C-N 3.35Å; V16-I18 PolarHBondContact O-N 3.19Å; I18-P21 WeakPolarHBondContact O-CD 3.49Å; I18-I22 WeakPolarHBondContact O-CD1 3.39Å |
| 19 | L | 31.2 | Very low | 37.1 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 55% | 0.55 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -87.4 | -26.8 | 179.5 | -71.4 | 173 | 0 | 0 | 0 | 114.3 | V15 I22 | V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.38Å; V15-L19 WeakPolarHBondContact O-CB 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 3.13Å; L19-I22 PolarHBondContact O-N 3.28Å |
| 20 | L | 35.9 | Very low | 37.1 | Very low | 130 Ų | 130 | 116.5 Ų | 116.5 | 68% | 0.681 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -35.8 | 177.7 | -88.3 | 163.9 | 0 | 0 | 0 | 115 | V16 | V16-L20 HydrophobicContact CG1-CD1 3.78Å; V16-L20 HydrophobicContact CG1-CG 4.4Å; V16-L20 WeakPolarHBondContact O-CB 2.95Å; V16-L20 WeakPolarHBondContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.11Å; V16-L20 PolarHBondContact O-N 2.8Å; V16-L20 VanDerWaalsContact O-N 3.08Å |
| 21 | P | 31.8 | Very low | 37.3 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -21.9 | 177.8 | -19.6 | 33.8 | 0 | 0 | 0 | 115.3 | R17 I18 C23 A24 | R17-P21 VanDerWaalsContact O-CD 3.25Å; R17-P21 WeakPolarHBondContact O-CD 3.42Å; I18-P21 WeakPolarHBondContact O-CD 3.49Å; P21-C23 PolarHBondContact O-N 3.13Å; P21-A24 PolarHBondContact O-N 3.07Å |
| 22 | I | 31.5 | Very low | 38.3 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 62% | 0.615 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -16.8 | -166.3 | -58.7 | 178.8 | 0 | 0 | 0 | 112.5 | I18 L19 | I18-I22 WeakPolarHBondContact O-CD1 3.39Å; L19-I22 PolarHBondContact O-N 3.28Å |
| 23 | C | 26.9 | Very low | 39.6 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -0 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 114.7 | P21 T25 | P21-C23 PolarHBondContact O-N 3.13Å; C23-T25 PolarHBondContact O-N 3.33Å |
| 24 | A | 26.9 | Very low | 41.5 | Very low | 68 Ų | 68 | 107.6 Ų | 107.6 | 56% | 0.562 | 58% | 0.582 | S | S | * | * | trans | -89.9 | 59.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P21 H26 | P21-A24 PolarHBondContact O-N 3.07Å; A24-H26 PolarHBondContact O-N 3.02Å | ||
| 25 | T | 24.1 | Very low | 43.6 | Very low | 126 Ų | 126 | 104.1 Ų | 104.1 | 77% | 0.773 | 57% | 0.566 | S | S | * | * | trans | -76.2 | 114.4 | 170 | 53 | 0 | 0 | 0 | 0 | 110.8 | C23 | C23-T25 PolarHBondContact O-N 3.33Š| ||
| 26 | H | 25 | Very low | 45.6 | Very low | 199 Ų | 199 | 100.6 Ų | 100.6 | 92% | 0.921 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 57.2 | 66.9 | 175.4 | -89.4 | -73.1 | 0 | 0 | 0 | 115.8 | A24 | A24-H26 PolarHBondContact O-N 3.02Š|
| 27 | V | 27.9 | Very low | 47.7 | Very low | 106 Ų | 106 | 97.3 Ų | 97.3 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | trans | -116.3 | 133.6 | 152.1 | -176.6 | 0 | 0 | 0 | 0 | 106.7 | Q29 | V27-Q29 PolarHBondContact O-N 3.21Š| ||
| 28 | D | 30.2 | Very low | 49.5 | Very low | 122 Ų | 122 | 89.8 Ų | 89.8 | 65% | 0.652 | 50% | 0.497 | S | S | * | . | trans | -55.9 | 136.1 | 174.4 | -88 | -31.9 | 0 | 0 | 0 | 109.7 | D30 G31 | D28-D30 PolarHBondContact O-N 3.25Å; D28-G31 PolarHBondContact O-N 2.88Å | ||
| 29 | Q | 31.7 | Very low | 51.3 | Low | 200 Ų | 200 | 85.6 Ų | 85.6 | 94% | 0.935 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -6.4 | -149.3 | -69.5 | -175.6 | -41.6 | 0 | 0 | 117.4 | V27 | V27-Q29 PolarHBondContact O-N 3.21Š|
| 30 | D | 45.2 | Very low | 53.6 | Low | 109 Ų | 109 | 81.1 Ų | 81.1 | 58% | 0.583 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -4.7 | -175.5 | -66.1 | -25.1 | 0 | 0 | 0 | 114.9 | D28 R32 | D28-D30 PolarHBondContact O-N 3.25Å; D30-R32 HydrophobicContact CB-CG 4.03Å; D30-R32 PolarHBondContact O-N 3Å; D30-R32 IonicContact OD2-CZ 3.7Å; D30-R32 IonicContact OD2-NE 2.72Å; D30-R32 PolarHBondContact OD2-NE 3.41Å; D30-R32 IonicContact OD2-NH2 4Å; D30-R32 PolarHBondContact OD2-NH2 2.86Å |
| 31 | G | 50.3 | Low | 55.6 | Low | 62 Ų | 62 | 77.1 Ų | 77.1 | 64% | 0.639 | 43% | 0.431 | S | S | * | . | trans | 64.9 | 7.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D28 | D28-G31 PolarHBondContact O-N 2.88Š| ||
| 32 | R | 68.6 | Low | 58.1 | Low | 50 Ų | 50 | 73 Ų | 73 | 19% | 0.189 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 131.5 | 177 | -63 | -178.9 | -69.6 | 132.9 | 0.3 | 109.9 | D30 D62 Q189 I190 | D30-R32 HydrophobicContact CB-CG 4.03Å; D30-R32 PolarHBondContact O-N 3Å; D30-R32 IonicContact OD2-CZ 3.7Å; D30-R32 IonicContact OD2-NE 2.72Å; D30-R32 PolarHBondContact OD2-NE 3.41Å; D30-R32 IonicContact OD2-NH2 4Å; D30-R32 PolarHBondContact OD2-NH2 2.86Å; R32-D62 IonicContact CZ-OD2 2.74Å; R32-D62 IonicContact NH1-OD2 3.83Å; R32-D62 PolarHBondContact NH1-OD2 3.2Å; R32-D62 IonicContact NH2-OD2 3.79Å; R32-D62 PolarHBondContact NH2-OD2 2.86Å; R32-Q189 HydrophobicContact CB-CG 3.71Å; R32-Q189 PolarHBondContact O-NE2 3.49Å; R32-I190 WeakPolarHBondContact CD-O 3.28Å |
| 33 | E | 76.4 | Confident | 60.7 | Low | 104 Ų | 104 | 70.1 Ų | 70.1 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 139.9 | -178.5 | -65 | -171.8 | 158.6 | 0 | 0 | 113.1 | F35 M212 | E33-F35 HydrophobicContact CB-CE2 3.82Å; E33-F35 HydrophobicContact CB-CZ 4.02Å; E33-F35 WeakPolarHBondContact O-CD2 3.05Å; E33-F35 WeakPolarHBondContact O-CE2 3.46Å; E33-M212 WeakPolarHBondContact OE2-CE 3.38Å |
| 34 | W | 86.6 | Confident | 63.6 | Low | 44 Ų | 44 | 64.4 Ų | 64.4 | 17% | 0.167 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.2 | 167.7 | -81.1 | 98 | 0 | 0 | 0 | 111 | D62 K64 C187 Q189 M212 T213 C214 | W34-D62 HydrophobicContact CH2-CB 3.75Å; W34-D62 HydrophobicContact CZ2-CB 4.17Å; W34-K64 HydrophobicContact CH2-CD 4.13Å; W34-K64 HydrophobicContact CH2-CG 3.79Å; W34-K64 HydrophobicContact CZ3-CD 4.32Å; W34-K64 HydrophobicContact CZ3-CG 3.81Å; W34-C187 HydrophobicContact CE3-CB 3.71Å; W34-C187 HydrophobicContact CZ3-CB 3.85Å; W34-Q189 HydrophobicContact CD2-CB 3.77Å; W34-Q189 VanDerWaalsContact CE2-OE1 3.26Å; W34-Q189 HydrophobicContact CE3-CB 3.8Å; W34-Q189 HydrophobicContact CG-CB 4.26Å; W34-Q189 HydrophobicContact CH2-CB 4.23Å; W34-Q189 HydrophobicContact CZ2-CB 4.23Å; W34-Q189 VanDerWaalsContact CZ2-OE1 3.29Å; W34-Q189 HydrophobicContact CZ3-CB 4.04Å; W34-M212 CarbonylContact O-C 3.6Å; W34-T213 CarbonylContact O-C 3.55Å; W34-T213 WeakPolarHBondContact O-CA 3.46Å; W34-T213 PolarHBondContact O-N 3.31Å; W34-C214 HydrophobicContact CB-CB 4.05Å; W34-C214 HydrophobicContact CD2-CB 4.23Å; W34-C214 HydrophobicContact CE3-CB 4.28Å; W34-C214 HydrophobicContact CG-CB 4.15Å |
| 35 | F | 88.1 | Confident | 66.5 | Low | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.9 | 172.5 | -63.4 | -90.9 | 0 | 0 | 0 | 110.7 | E33 V44 C187 F188 V203 Y211 M212 T213 | E33-F35 HydrophobicContact CB-CE2 3.82Å; E33-F35 HydrophobicContact CB-CZ 4.02Å; E33-F35 WeakPolarHBondContact O-CD2 3.05Å; E33-F35 WeakPolarHBondContact O-CE2 3.46Å; F35-V44 HydrophobicContact CD1-CG2 4.15Å; F35-V44 HydrophobicContact CE1-CG1 4.49Å; F35-V44 HydrophobicContact CG-CG2 4.41Å; F35-C187 CarbonylContact O-C 3.54Å; F35-C187 WeakPolarHBondContact O-CA 3.3Å; F35-F188 HydrophobicContact CB-CD1 3.95Å; F35-F188 HydrophobicContact CB-CE1 3.35Å; F35-F188 HydrophobicContact CB-CE2 4.36Å; F35-F188 HydrophobicContact CB-CZ 3.58Å; F35-F188 HydrophobicContact CD2-CE2 4.15Å; F35-F188 AromaticContact CD2-CZ 3.96Å; F35-F188 HydrophobicContact CD2-CZ 3.96Å; F35-F188 HydrophobicContact CG-CE1 4.17Å; F35-F188 AromaticContact CG-CZ 3.87Å; F35-F188 HydrophobicContact CG-CZ 3.87Å; F35-F188 PolarHBondContact N-O 2.8Å; F35-F188 PolarHBondContact O-N 3.41Å; F35-V203 HydrophobicContact CE1-CG2 3.86Å; F35-V203 HydrophobicContact CE2-CG2 4.42Å; F35-V203 HydrophobicContact CZ-CG2 3.48Å; F35-V203 VanDerWaalsContact CZ-CG2 3.48Å; F35-Y211 CarbonylContact C-O 3.36Å; F35-Y211 WeakPolarHBondContact CA-O 3.5Å; F35-M212 HydrophobicContact CD1-CG 4.06Å; F35-M212 HydrophobicContact CE1-CG 3.6Å; F35-M212 HydrophobicContact CZ-CG 4.49Å; F35-T213 CarbonylContact C-O 3.56Å |
| 36 | T | 88.5 | Confident | 69.5 | Low | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.2 | 169.2 | -55.5 | 0 | 0 | 0 | 0 | 111 | M38 G186 A210 Y211 T213 C214 V215 | T36-M38 HydrophobicContact CG2-CG 4.23Å; T36-M38 HydrophobicContact CG2-SD 3.58Å; T36-M38 VanDerWaalsContact CG2-SD 3.58Å; T36-G186 WeakPolarHBondContact CA-O 3.36Å; T36-A210 CarbonylContact O-C 3.53Å; T36-A210 VanDerWaalsContact O-CA 3.3Å; T36-A210 WeakPolarHBondContact O-CA 3.42Å; T36-Y211 PolarHBondContact N-O 3.35Å; T36-Y211 PolarHBondContact O-N 3.44Å; T36-T213 PolarHBondContact N-O 3.41Å; T36-T213 VanDerWaalsContact N-O 3.1Å; T36-T213 PolarHBondContact OG1-O 3.19Å; T36-C214 WeakPolarHBondContact OG1-CA 3.38Å; T36-V215 HydrophobicContact CG2-CB 4.19Å; T36-V215 HydrophobicContact CG2-CG2 4.31Å; T36-V215 PolarHBondContact OG1-N 3.11Å |
| 37 | L | 88.5 | Confident | 72.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 105.8 | 170.5 | -58.6 | -176.7 | 0 | 0 | 0 | 109 | S42 V44 V185 G186 F188 A210 | L37-S42 WeakPolarHBondContact CD2-O 3.44Å; L37-V44 HydrophobicContact CD2-CG2 4.27Å; L37-V185 WeakPolarHBondContact O-CA 3.37Å; L37-V185 WeakPolarHBondContact O-CG1 3.42Å; L37-G186 PolarHBondContact N-O 2.69Å; L37-G186 PolarHBondContact O-N 3.39Å; L37-F188 HydrophobicContact CD1-CD1 3.92Å; L37-F188 HydrophobicContact CD1-CE1 4.03Å; L37-F188 HydrophobicContact CD2-CD1 4.2Å; L37-F188 HydrophobicContact CD2-CE1 3.59Å; L37-F188 HydrophobicContact CG-CD1 3.76Å; L37-F188 HydrophobicContact CG-CE1 3.69Å; L37-A210 HydrophobicContact CD2-CB 4.12Å |
| 38 | M | 80.5 | Confident | 75.1 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | trans | -85.5 | -7.4 | -173.3 | -60.2 | -73.2 | -76.5 | 0 | 0 | 114 | T36 S42 D209 Y211 Y235 N236 | T36-M38 HydrophobicContact CG2-CG 4.23Å; T36-M38 HydrophobicContact CG2-SD 3.58Å; T36-M38 VanDerWaalsContact CG2-SD 3.58Å; M38-S42 PolarHBondContact N-OG 3.05Å; M38-S42 VanDerWaalsContact N-OG 3.12Å; M38-D209 HydrophobicContact CB-CB 4.32Å; M38-D209 VanDerWaalsContact CB-O 3.25Å; M38-D209 WeakPolarHBondContact CB-O 3.22Å; M38-D209 VanDerWaalsContact CG-O 3.23Å; M38-D209 WeakPolarHBondContact CG-O 3.5Å; M38-D209 PolarHBondContact N-O 3.06Å; M38-D209 VanDerWaalsContact N-O 3.14Å; M38-Y211 HydrophobicContact CG-CD2 3.56Å; M38-Y211 HydrophobicContact CG-CE2 3.86Å; M38-Y211 HydrophobicContact SD-CD2 4.46Å; M38-Y235 WeakPolarHBondContact CE-O 3.46Å; M38-N236 HydrophobicContact CB-CB 4.3Å; M38-N236 WeakPolarHBondContact O-CB 3.37Å; M38-N236 PolarHBondContact O-ND2 3.37Å; M38-N236 VanDerWaalsContact O-ND2 3.14Å | ||
| 39 | S | 81 | Confident | 77.6 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -150.7 | 166.1 | 179.8 | 93.9 | 0 | 0 | 0 | 0 | 111.6 | H41 S42 D209 | S39-H41 PolarHBondContact O-N 3.24Å; S39-H41 PolarHBondContact OG-N 3.02Å; S39-S42 WeakPolarHBondContact CA-OG 3.43Å; S39-S42 PolarHBondContact N-OG 2.96Å; S39-S42 WeakPolarHBondContact O-CB 3.16Å; S39-S42 PolarHBondContact O-N 3.23Å; S39-S42 PolarHBondContact O-OG 3.32Å; S39-S42 PolarHBondContact OG-N 2.92Å; S39-S42 PolarHBondContact OG-OG 2.83Å; S39-D209 VanDerWaalsContact CB-OD2 3.28Å; S39-D209 WeakPolarHBondContact CB-OD2 3.34Å; S39-D209 PolarHBondContact OG-OD2 3.33Å |
| 40 | H | 80.1 | Confident | 80.3 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 0.9 | 173 | -61.4 | -56.8 | 0 | 0 | 0 | 114.2 | G172 L182 A183 R817 Y818 | H40-G172 WeakPolarHBondContact O-CA 3.34Å; H40-L182 HydrophobicContact CB-CB 3.85Å; H40-L182 HydrophobicContact CB-CD2 3.73Å; H40-L182 HydrophobicContact CB-CG 4.21Å; H40-A183 PolarHBondContact ND1-O 3.31Å; H40-A183 WeakPolarHBondContact O-CB 3.41Å; H40-A183 PolarHBondContact O-N 2.96Å; H40-R817 PolarHBondContact CD2-NH2 3.27Å; H40-R817 PolarHBondContact NE2-NH2 3.18Å; H40-R817 VanDerWaalsContact NE2-NH2 3.18Å; H40-Y818 PolarHBondContact CD2-OH 3.03Å |
| 41 | H | 77.2 | Confident | 82.2 | Confident | 46 Ų | 46 | 32.4 Ų | 32.4 | 21% | 0.213 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -4.6 | 173.3 | -48.4 | -91.7 | 0 | 0 | 0 | 112.2 | S39 Y43 E174 Y818 | S39-H41 PolarHBondContact O-N 3.24Å; S39-H41 PolarHBondContact OG-N 3.02Å; H41-Y43 PolarHBondContact O-N 3.31Å; H41-E174 IonicContact CE1-OE1 2.66Å; H41-E174 PolarHBondContact CE1-OE1 2.97Å; H41-E174 IonicContact ND1-OE1 3.72Å; H41-Y818 AromaticContact NE2-CD1 3.65Å; H41-Y818 AromaticContact NE2-CE1 3.92Å |
| 42 | S | 84.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -74.3 | 124.1 | -174.9 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | L37 M38 S39 G170 S207 D209 | L37-S42 WeakPolarHBondContact CD2-O 3.44Å; M38-S42 PolarHBondContact N-OG 3.05Å; M38-S42 VanDerWaalsContact N-OG 3.12Å; S39-S42 WeakPolarHBondContact CA-OG 3.43Å; S39-S42 PolarHBondContact N-OG 2.96Å; S39-S42 WeakPolarHBondContact O-CB 3.16Å; S39-S42 PolarHBondContact O-N 3.23Å; S39-S42 PolarHBondContact O-OG 3.32Å; S39-S42 PolarHBondContact OG-N 2.92Å; S39-S42 PolarHBondContact OG-OG 2.83Å; S42-G170 CarbonylContact C-O 3.48Å; S42-G170 VanDerWaalsContact C-O 3.32Å; S42-G170 CarbonylContact O-C 3.47Å; S42-G170 VanDerWaalsContact O-C 3.3Å; S42-G170 VanDerWaalsContact O-CA 3.28Å; S42-G170 WeakPolarHBondContact O-CA 3.15Å; S42-S207 VanDerWaalsContact CA-OG 3.23Å; S42-S207 WeakPolarHBondContact CA-OG 3.36Å; S42-D209 WeakPolarHBondContact CA-OD1 3.36Å; S42-D209 PolarHBondContact OG-O 3.2Å; S42-D209 PolarHBondContact OG-OD1 2.74Å; S42-D209 PolarHBondContact OG-OD2 3.47Å | ||
| 43 | Y | 87.5 | Confident | 84 | Confident | 59 Ų | 59 | 31.1 Ų | 31.1 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | trans | -133.5 | 155.9 | -179.6 | 68.1 | -90.7 | 0 | 0 | 0 | 113.1 | H41 R168 A169 G170 H205 R206 S207 | H41-Y43 PolarHBondContact O-N 3.31Å; Y43-R168 VanDerWaalsContact CD2-NE 3.27Å; Y43-R168 VanDerWaalsContact CD2-NH2 3.27Å; Y43-A169 WeakPolarHBondContact CA-O 3.43Å; Y43-A169 VanDerWaalsContact CB-O 3.31Å; Y43-A169 WeakPolarHBondContact CB-O 3.37Å; Y43-G170 WeakPolarHBondContact CB-O 3.44Å; Y43-H205 AromaticContact CE2-ND1 3.42Å; Y43-H205 WeakPolarHBondContact CE2-ND1 3.44Å; Y43-H205 AromaticContact CZ-CE1 3.91Å; Y43-H205 AromaticContact CZ-ND1 3.72Å; Y43-H205 PolarHBondContact OH-CE1 2.83Å; Y43-H205 PolarHBondContact OH-ND1 2.97Å; Y43-R206 CarbonylContact O-C 3.54Å; Y43-R206 WeakPolarHBondContact O-CA 3.39Å; Y43-S207 PolarHBondContact N-OG 3.39Å; Y43-S207 PolarHBondContact O-N 2.87Å; Y43-S207 PolarHBondContact O-OG 3.2Å | ||
| 44 | V | 87.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.1 | 169.5 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | F35 L37 F46 R168 A169 F188 V203 R206 A210 | F35-V44 HydrophobicContact CD1-CG2 4.15Å; F35-V44 HydrophobicContact CE1-CG1 4.49Å; F35-V44 HydrophobicContact CG-CG2 4.41Å; L37-V44 HydrophobicContact CD2-CG2 4.27Å; V44-F46 HydrophobicContact CB-CE2 4.27Å; V44-F46 HydrophobicContact CB-CZ 4.29Å; V44-F46 HydrophobicContact CG1-CE1 4.11Å; V44-F46 HydrophobicContact CG1-CE2 3.91Å; V44-F46 HydrophobicContact CG1-CZ 3.63Å; V44-R168 CarbonylContact O-C 3.48Å; V44-R168 VanDerWaalsContact O-CA 3.25Å; V44-R168 WeakPolarHBondContact O-CA 3.37Å; V44-R168 WeakPolarHBondContact O-CG 3.34Å; V44-A169 HydrophobicContact CB-CB 4.49Å; V44-A169 PolarHBondContact N-O 3.09Å; V44-A169 PolarHBondContact O-N 3.43Å; V44-F188 HydrophobicContact CB-CZ 3.88Å; V44-F188 HydrophobicContact CG2-CE1 4.07Å; V44-F188 HydrophobicContact CG2-CZ 3.75Å; V44-V203 HydrophobicContact CG1-CG1 3.81Å; V44-V203 HydrophobicContact CG1-CG2 4.2Å; V44-R206 HydrophobicContact CG1-CB 4.42Å; V44-R206 HydrophobicContact CG2-CB 4.09Å; V44-A210 HydrophobicContact CG2-CB 3.82Å |
| 45 | T | 88 | Confident | 83.5 | Confident | 30 Ų | 30 | 29.9 Ų | 29.9 | 18% | 0.184 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | R168 L204 H205 | T45-R168 WeakPolarHBondContact OG1-CD 3.36Å; T45-L204 HydrophobicContact CG2-CD2 4.39Å; T45-L204 WeakPolarHBondContact O-CB 3.38Å; T45-L204 PolarHBondContact O-N 3.36Å; T45-H205 PolarHBondContact N-O 3.33Å; T45-H205 PolarHBondContact O-N 2.91Å; T45-H205 VanDerWaalsContact O-N 3.07Å |
| 46 | F | 87.7 | Confident | 83.2 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.022 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 160.4 | -178 | -61.9 | -87.4 | 0 | 0 | 0 | 111.4 | V44 V167 A169 F188 I190 E202 V203 | V44-F46 HydrophobicContact CB-CE2 4.27Å; V44-F46 HydrophobicContact CB-CZ 4.29Å; V44-F46 HydrophobicContact CG1-CE1 4.11Å; V44-F46 HydrophobicContact CG1-CE2 3.91Å; V44-F46 HydrophobicContact CG1-CZ 3.63Å; F46-V167 HydrophobicContact CB-CB 4.43Å; F46-V167 HydrophobicContact CD2-CB 4.41Å; F46-V167 HydrophobicContact CD2-CG1 4.13Å; F46-V167 PolarHBondContact N-O 3.01Å; F46-A169 HydrophobicContact CE2-CB 4.41Å; F46-F188 HydrophobicContact CE2-CE2 4.36Å; F46-F188 HydrophobicContact CZ-CE2 4.06Å; F46-F188 HydrophobicContact CZ-CZ 4.42Å; F46-I190 HydrophobicContact CD1-CG2 4.44Å; F46-I190 HydrophobicContact CE1-CG2 3.73Å; F46-I190 HydrophobicContact CE2-CG2 4.07Å; F46-I190 HydrophobicContact CZ-CG2 3.53Å; F46-E202 CarbonylContact C-O 3.48Å; F46-E202 WeakPolarHBondContact CA-O 3.4Å; F46-V203 HydrophobicContact CD1-CG2 4.25Å; F46-V203 HydrophobicContact CE1-CG2 3.9Å |
| 47 | S | 84.6 | Confident | 83.1 | Confident | 37 Ų | 37 | 32.3 Ų | 32.3 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -52.2 | 129.8 | 171.3 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | F49 E202 | S47-F49 PolarHBondContact O-N 3.1Å; S47-E202 PolarHBondContact N-O 3.24Å; S47-E202 PolarHBondContact OG-N 3.14Å; S47-E202 VanDerWaalsContact OG-N 3.12Å; S47-E202 PolarHBondContact OG-O 3.41Å |
| 48 | P | 85.5 | Confident | 83.1 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -59.8 | 134.6 | 178.8 | -22.4 | 32.9 | 0 | 0 | 0 | 111.5 | Q164 L165 K166 | P48-Q164 HydrophobicContact CB-CG 3.81Å; P48-L165 WeakPolarHBondContact CA-O 3.44Å; P48-K166 HydrophobicContact CB-CG 4.25Å; P48-K166 HydrophobicContact CG-CG 4.31Å |
| 49 | F | 82.8 | Confident | 83.5 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 15% | 0.145 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 147.4 | 178.5 | 174.7 | -109.6 | 0 | 0 | 0 | 110.5 | S47 W51 F57 Q164 L165 E194 V199 | S47-F49 PolarHBondContact O-N 3.1Å; F49-W51 HydrophobicContact CD1-CB 4.15Å; F49-W51 HydrophobicContact CE1-CB 3.79Å; F49-F57 HydrophobicContact CD1-CD2 4.36Å; F49-F57 HydrophobicContact CD1-CE2 4.14Å; F49-F57 HydrophobicContact CE1-CD2 4.17Å; F49-F57 HydrophobicContact CE1-CE2 4.36Å; F49-Q164 CarbonylContact O-C 3.55Å; F49-Q164 WeakPolarHBondContact O-CA 3.23Å; F49-L165 HydrophobicContact CD1-CD1 4.19Å; F49-L165 PolarHBondContact N-O 2.99Å; F49-L165 PolarHBondContact O-N 3.41Å; F49-E194 HydrophobicContact CZ-CB 4.27Å; F49-V199 HydrophobicContact CD2-CG1 3.76Å; F49-V199 HydrophobicContact CE2-CB 4.43Å; F49-V199 HydrophobicContact CE2-CG1 3.62Å; F49-V199 HydrophobicContact CE2-CG2 4.01Å; F49-V199 HydrophobicContact CZ-CG1 4.47Å; F49-V199 HydrophobicContact CZ-CG2 4.11Å |
| 50 | L | 87.1 | Confident | 83.9 | Confident | 97 Ų | 97 | 34 Ų | 34 | 51% | 0.508 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.1 | 173.2 | -66.2 | 177.1 | 0 | 0 | 0 | 109.2 | A80 T162 L163 Q164 | L50-A80 HydrophobicContact CD2-CB 3.74Å; L50-T162 HydrophobicContact CB-CG2 4.08Å; L50-T162 HydrophobicContact CD2-CG2 4.08Å; L50-L163 CarbonylContact C-O 3.58Å; L50-L163 WeakPolarHBondContact CA-O 3.26Å; L50-Q164 HydrophobicContact CD2-CB 4.09Å; L50-Q164 HydrophobicContact CD2-CG 4.22Å |
| 51 | W | 85.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.6 | 177.7 | 176.8 | 41.9 | 0 | 0 | 0 | 109.4 | F49 C53 G55 F57 F87 I132 C134 L163 L165 | F49-W51 HydrophobicContact CD1-CB 4.15Å; F49-W51 HydrophobicContact CE1-CB 3.79Å; W51-C53 VanDerWaalsContact C-N 3.26Å; W51-C53 PolarHBondContact O-N 2.81Å; W51-G55 VanDerWaalsContact CZ2-O 3.29Å; W51-G55 WeakPolarHBondContact CZ2-O 3.31Å; W51-G55 PolarHBondContact NE1-O 3.47Å; W51-F57 HydrophobicContact CD2-CB 3.67Å; W51-F57 HydrophobicContact CD2-CG 4.35Å; W51-F57 HydrophobicContact CE3-CB 4.1Å; W51-F57 HydrophobicContact CG-CB 4.14Å; W51-F57 HydrophobicContact CH2-CB 4.01Å; W51-F57 HydrophobicContact CZ2-CB 3.57Å; W51-F57 HydrophobicContact CZ3-CB 4.26Å; W51-F87 HydrophobicContact CZ3-CE1 4.31Å; W51-F87 HydrophobicContact CZ3-CZ 4.32Å; W51-I132 HydrophobicContact CH2-CB 4.36Å; W51-I132 HydrophobicContact CH2-CG2 4.04Å; W51-I132 HydrophobicContact CZ3-CG2 4.47Å; W51-C134 WeakPolarHBondContact CH2-SG 3.46Å; W51-L163 HydrophobicContact CE3-CB 4.48Å; W51-L163 HydrophobicContact CE3-CD1 3.81Å; W51-L163 HydrophobicContact CZ3-CD1 3.95Å; W51-L163 PolarHBondContact N-O 2.87Å; W51-L163 PolarHBondContact O-N 2.81Å; W51-L165 HydrophobicContact CB-CD1 3.87Å; W51-L165 HydrophobicContact CB-CG 4.2Å; W51-L165 HydrophobicContact CD2-CD1 4.41Å; W51-L165 HydrophobicContact CE3-CD1 4.03Å; W51-L165 HydrophobicContact CE3-CD2 4.38Å; W51-L165 HydrophobicContact CG-CD1 4.39Å |
| 52 | N | 80 | Confident | 85.2 | Confident | 79 Ų | 79 | 32 Ų | 32 | 42% | 0.422 | 18% | 0.176 | S | C | . | . | trans | -82.5 | 4.7 | -177 | -76.9 | -29.2 | 0 | 0 | 0 | 114.2 | T54 T162 | N52-T54 HydrophobicContact CB-CG2 4.25Å; N52-T54 PolarHBondContact O-N 3.46Å; N52-T162 WeakPolarHBondContact OD1-CB 3.39Å; N52-T162 VanDerWaalsContact OD1-CG2 3.26Å; N52-T162 WeakPolarHBondContact OD1-CG2 3.39Å; N52-T162 PolarHBondContact OD1-OG1 2.77Å | ||
| 53 | C | 77.6 | Confident | 85.7 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.034 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 59.5 | 13.9 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 114 | W51 G55 C134 I157 | W51-C53 VanDerWaalsContact C-N 3.26Å; W51-C53 PolarHBondContact O-N 2.81Å; C53-G55 VanDerWaalsContact C-N 3.3Å; C53-G55 PolarHBondContact O-N 2.84Å; C53-C134 VanDerWaalsContact CA-SG 3.55Å; C53-C134 HydrophobicContact CB-CB 4.31Å; C53-C134 WeakPolarHBondContact CB-SG 3.25Å; C53-C134 WeakPolarHBondContact SG-CB 3.34Å; C53-C134 CovalentContact SG-SG 2.03Å; C53-C134 PolarHBondContact SG-SG 2.84Å; C53-I157 VanDerWaalsContact SG-CG2 3.55Å |
| 54 | T | 74.9 | Confident | 86.1 | Confident | 109 Ų | 109 | 31.9 Ų | 31.9 | 67% | 0.669 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -84.2 | 1.8 | 178.3 | 49.4 | 0 | 0 | 0 | 0 | 114 | N52 | N52-T54 HydrophobicContact CB-CG2 4.25Å; N52-T54 PolarHBondContact O-N 3.46Å |
| 55 | G | 77.4 | Confident | 86.4 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 175.5 | -173.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111 | W51 C53 N195 | W51-G55 VanDerWaalsContact CZ2-O 3.29Å; W51-G55 WeakPolarHBondContact CZ2-O 3.31Å; W51-G55 PolarHBondContact NE1-O 3.47Å; C53-G55 VanDerWaalsContact C-N 3.3Å; C53-G55 PolarHBondContact O-N 2.84Å; G55-N195 VanDerWaalsContact CA-OD1 3.24Å; G55-N195 WeakPolarHBondContact CA-OD1 3.48Å |
| 56 | D | 81.6 | Confident | 86.5 | Confident | 56 Ų | 56 | 33 Ų | 33 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | trans | -77.4 | 127.5 | -163.1 | -65.7 | -6 | 0 | 0 | 0 | 112.3 | T131 Q133 E194 N195 | D56-T131 HydrophobicContact CB-CG2 4.02Å; D56-Q133 VanDerWaalsContact CG-NE2 3.34Å; D56-Q133 VanDerWaalsContact OD1-CG 3.25Å; D56-Q133 WeakPolarHBondContact OD1-CG 3.34Å; D56-Q133 PolarHBondContact OD1-NE2 2.84Å; D56-Q133 PolarHBondContact OD2-NE2 2.69Å; D56-E194 CarbonylContact O-C 3.56Å; D56-E194 WeakPolarHBondContact O-CA 3.23Å; D56-N195 PolarHBondContact N-OD1 3.08Å; D56-N195 PolarHBondContact O-N 2.81Å | ||
| 57 | F | 86.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.5 | 167.8 | 168.9 | -99.6 | 0 | 0 | 0 | 109.4 | F49 W51 Y59 V75 T131 I132 L165 I192 | F49-F57 HydrophobicContact CD1-CD2 4.36Å; F49-F57 HydrophobicContact CD1-CE2 4.14Å; F49-F57 HydrophobicContact CE1-CD2 4.17Å; F49-F57 HydrophobicContact CE1-CE2 4.36Å; W51-F57 HydrophobicContact CD2-CB 3.67Å; W51-F57 HydrophobicContact CD2-CG 4.35Å; W51-F57 HydrophobicContact CE3-CB 4.1Å; W51-F57 HydrophobicContact CG-CB 4.14Å; W51-F57 HydrophobicContact CH2-CB 4.01Å; W51-F57 HydrophobicContact CZ2-CB 3.57Å; W51-F57 HydrophobicContact CZ3-CB 4.26Å; F57-Y59 AromaticContact CE1-CD1 3.71Å; F57-Y59 HydrophobicContact CE1-CD1 3.71Å; F57-Y59 HydrophobicContact CE1-CE1 4.17Å; F57-Y59 HydrophobicContact CZ-CD1 4.11Å; F57-V75 HydrophobicContact CE1-CG1 4.35Å; F57-T131 CarbonylContact O-C 3.4Å; F57-T131 WeakPolarHBondContact O-CA 3.25Å; F57-I132 HydrophobicContact CD1-CB 4.49Å; F57-I132 HydrophobicContact CD1-CD1 4.3Å; F57-I132 HydrophobicContact CD1-CG1 4.45Å; F57-I132 PolarHBondContact N-O 2.8Å; F57-I132 PolarHBondContact O-N 2.85Å; F57-L165 HydrophobicContact CD1-CD1 3.88Å; F57-L165 HydrophobicContact CD2-CD1 3.55Å; F57-L165 HydrophobicContact CE1-CD1 3.73Å; F57-L165 HydrophobicContact CE2-CD1 3.38Å; F57-L165 HydrophobicContact CG-CD1 3.8Å; F57-L165 HydrophobicContact CZ-CD1 3.49Å; F57-L165 VanDerWaalsContact CZ-CD1 3.49Å; F57-I192 HydrophobicContact CD2-CG2 4.28Å; F57-I192 HydrophobicContact CE2-CG2 3.48Å; F57-I192 VanDerWaalsContact CE2-CG2 3.48Å; F57-I192 HydrophobicContact CZ-CG2 4.19Å |
| 58 | G | 87.5 | Confident | 86.7 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 158.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V130 F193 | G58-V130 CarbonylContact C-O 3.53Å; G58-V130 WeakPolarHBondContact CA-O 3.46Å; G58-F193 PolarHBondContact N-O 2.67Å; G58-F193 PolarHBondContact O-N 3.23Å |
| 59 | Y | 89.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.5 | 168.7 | 56.2 | -94.9 | 0 | 0 | 0 | 111.3 | F57 V61 L73 V75 V91 I129 V130 G191 | F57-Y59 AromaticContact CE1-CD1 3.71Å; F57-Y59 HydrophobicContact CE1-CD1 3.71Å; F57-Y59 HydrophobicContact CE1-CE1 4.17Å; F57-Y59 HydrophobicContact CZ-CD1 4.11Å; Y59-V61 HydrophobicContact CD2-CG2 4.14Å; Y59-L73 HydrophobicContact CD1-CD2 4.44Å; Y59-L73 HydrophobicContact CD2-CD2 3.35Å; Y59-L73 HydrophobicContact CE1-CD2 4.46Å; Y59-L73 HydrophobicContact CE2-CD2 3.36Å; Y59-L73 HydrophobicContact CG-CD2 3.91Å; Y59-V75 HydrophobicContact CD1-CG2 4.08Å; Y59-V75 HydrophobicContact CE1-CG2 3.64Å; Y59-V91 HydrophobicContact CE2-CG2 3.95Å; Y59-V91 WeakPolarHBondContact OH-CG2 3.48Å; Y59-I129 WeakPolarHBondContact O-CA 3.44Å; Y59-V130 HydrophobicContact CD1-CB 4.4Å; Y59-V130 HydrophobicContact CD2-CB 4.13Å; Y59-V130 HydrophobicContact CD2-CG2 4.43Å; Y59-V130 HydrophobicContact CE1-CB 3.88Å; Y59-V130 HydrophobicContact CE1-CG1 3.89Å; Y59-V130 HydrophobicContact CE2-CB 3.58Å; Y59-V130 HydrophobicContact CE2-CG1 4.33Å; Y59-V130 HydrophobicContact CE2-CG2 3.63Å; Y59-V130 VanDerWaalsContact CZ-CB 3.45Å; Y59-V130 PolarHBondContact N-O 2.82Å; Y59-V130 PolarHBondContact O-N 2.85Å; Y59-G191 CarbonylContact C-O 3.56Å; Y59-G191 VanDerWaalsContact CA-O 3.29Å; Y59-G191 WeakPolarHBondContact CA-O 3.49Å |
| 60 | R | 90.8 | Very high | 87 | Confident | 68 Ų | 68 | 29.2 Ų | 29.2 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.2 | 170.4 | 179.2 | 179.3 | 170 | 143.5 | 4.9 | 108.5 | D62 I128 I129 I190 G191 F193 | R60-D62 IonicContact CZ-OD1 3.54Å; R60-D62 IonicContact CZ-OD2 3.91Å; R60-D62 IonicContact NE-OD1 2.65Å; R60-D62 PolarHBondContact NE-OD1 3.26Å; R60-D62 IonicContact NE-OD2 3.9Å; R60-D62 PolarHBondContact NE-OD2 3.22Å; R60-D62 IonicContact NH2-OD1 2.62Å; R60-D62 PolarHBondContact NH2-OD1 2.81Å; R60-D62 IonicContact NH2-OD2 3.17Å; R60-I128 CarbonylContact C-O 3.6Å; R60-I128 VanDerWaalsContact CA-O 3.31Å; R60-I128 WeakPolarHBondContact CA-O 3.31Å; R60-I129 HydrophobicContact CB-CG1 4.23Å; R60-I129 HydrophobicContact CG-CG1 4.17Å; R60-I190 CarbonylContact O-C 3.55Å; R60-I190 WeakPolarHBondContact O-CA 3.24Å; R60-G191 PolarHBondContact N-O 3.06Å; R60-G191 PolarHBondContact O-N 3.37Å; R60-F193 HydrophobicContact CB-CE2 3.69Å; R60-F193 HydrophobicContact CB-CZ 4.33Å |
| 61 | V | 91.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 109.3 | 167.6 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | Y59 I72 L73 Y127 I128 F188 Q189 | Y59-V61 HydrophobicContact CD2-CG2 4.14Å; V61-I72 HydrophobicContact CG1-CG2 3.86Å; V61-L73 HydrophobicContact CG2-CB 4.23Å; V61-L73 HydrophobicContact CG2-CD1 4.42Å; V61-L73 HydrophobicContact CG2-CD2 3.88Å; V61-L73 HydrophobicContact CG2-CG 4.4Å; V61-Y127 WeakPolarHBondContact O-CA 3.35Å; V61-I128 PolarHBondContact N-O 2.95Å; V61-I128 PolarHBondContact O-N 2.81Å; V61-F188 HydrophobicContact CG1-CB 4.19Å; V61-Q189 CarbonylContact C-O 3.57Å; V61-Q189 WeakPolarHBondContact CA-O 3.23Å |
| 62 | D | 92.9 | Very high | 87.5 | Confident | 13 Ų | 13 | 25.8 Ų | 25.8 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 129.6 | 163 | -57.2 | -71.6 | 0 | 0 | 0 | 107.6 | R32 W34 R60 H126 Y127 F188 Q189 | R32-D62 IonicContact CZ-OD2 2.74Å; R32-D62 IonicContact NH1-OD2 3.83Å; R32-D62 PolarHBondContact NH1-OD2 3.2Å; R32-D62 IonicContact NH2-OD2 3.79Å; R32-D62 PolarHBondContact NH2-OD2 2.86Å; W34-D62 HydrophobicContact CH2-CB 3.75Å; W34-D62 HydrophobicContact CZ2-CB 4.17Å; R60-D62 IonicContact CZ-OD1 3.54Å; R60-D62 IonicContact CZ-OD2 3.91Å; R60-D62 IonicContact NE-OD1 2.65Å; R60-D62 PolarHBondContact NE-OD1 3.26Å; R60-D62 IonicContact NE-OD2 3.9Å; R60-D62 PolarHBondContact NE-OD2 3.22Å; R60-D62 IonicContact NH2-OD1 2.62Å; R60-D62 PolarHBondContact NH2-OD1 2.81Å; R60-D62 IonicContact NH2-OD2 3.17Å; D62-H126 CarbonylContact C-O 3.5Å; D62-H126 WeakPolarHBondContact CA-O 3.45Å; D62-Y127 WeakPolarHBondContact OD1-CB 3.49Å; D62-F188 CarbonylContact O-C 3.53Å; D62-F188 WeakPolarHBondContact O-CA 3.44Å; D62-Q189 HydrophobicContact CB-CB 4.26Å; D62-Q189 PolarHBondContact N-O 3.35Å; D62-Q189 PolarHBondContact O-N 2.94Å |
| 63 | L | 94.4 | Very high | 88 | Confident | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.4 | -168.9 | 179.9 | 68.2 | 0 | 0 | 0 | 110.2 | T65 I72 H126 I128 F188 | L63-T65 HydrophobicContact CD1-CG2 4.25Å; L63-T65 HydrophobicContact CD2-CG2 3.83Å; L63-T65 HydrophobicContact CG-CG2 3.94Å; L63-I72 HydrophobicContact CD1-CG2 4.27Å; L63-I72 HydrophobicContact CD2-CD1 3.57Å; L63-I72 HydrophobicContact CD2-CG1 4.02Å; L63-I72 HydrophobicContact CD2-CG2 4.45Å; L63-H126 PolarHBondContact N-O 2.86Å; L63-H126 PolarHBondContact O-N 3.08Å; L63-I128 HydrophobicContact CD2-CD1 4.09Å; L63-F188 HydrophobicContact CD1-CB 4.33Å |
| 64 | K | 94.6 | Very high | 88.5 | Confident | 50 Ų | 50 | 21.9 Ų | 21.9 | 22% | 0.217 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 109.7 | 166.2 | -32.1 | -167.8 | -172 | -151.3 | 0 | 108.7 | W34 Q124 S125 G186 C187 Y235 | W34-K64 HydrophobicContact CH2-CD 4.13Å; W34-K64 HydrophobicContact CH2-CG 3.79Å; W34-K64 HydrophobicContact CZ3-CD 4.32Å; W34-K64 HydrophobicContact CZ3-CG 3.81Å; K64-Q124 VanDerWaalsContact CA-O 3.23Å; K64-Q124 WeakPolarHBondContact CA-O 3.2Å; K64-Q124 VanDerWaalsContact CB-O 3.3Å; K64-Q124 WeakPolarHBondContact CB-O 3.36Å; K64-S125 WeakPolarHBondContact CD-OG 3.18Å; K64-S125 WeakPolarHBondContact CE-OG 3.3Å; K64-S125 PolarHBondContact NZ-OG 2.81Å; K64-G186 CarbonylContact O-C 3.6Å; K64-G186 WeakPolarHBondContact O-CA 3.25Å; K64-C187 HydrophobicContact CB-CB 4.13Å; K64-C187 HydrophobicContact CG-CB 4.14Å; K64-C187 PolarHBondContact N-O 3.34Å; K64-C187 PolarHBondContact O-N 2.84Å; K64-Y235 HydrophobicContact CB-CE1 4.2Å; K64-Y235 VanDerWaalsContact CB-OH 3.28Å; K64-Y235 WeakPolarHBondContact CB-OH 3.3Å; K64-Y235 WeakPolarHBondContact O-CE2 3.24Å |
| 65 | T | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.8 | -175.3 | -173.5 | 0 | 0 | 0 | 0 | 112.5 | L63 S67 L93 L120 A121 G123 V185 | L63-T65 HydrophobicContact CD1-CG2 4.25Å; L63-T65 HydrophobicContact CD2-CG2 3.83Å; L63-T65 HydrophobicContact CG-CG2 3.94Å; T65-S67 WeakPolarHBondContact OG1-CB 3.17Å; T65-S67 PolarHBondContact OG1-N 2.99Å; T65-S67 PolarHBondContact OG1-OG 3.32Å; T65-L93 HydrophobicContact CG2-CD1 3.79Å; T65-L120 WeakPolarHBondContact CG2-O 3.48Å; T65-A121 CarbonylContact O-C 3.59Å; T65-A121 VanDerWaalsContact O-C 3.27Å; T65-A121 WeakPolarHBondContact O-CA 3.34Å; T65-G123 VanDerWaalsContact O-CA 3.28Å; T65-G123 WeakPolarHBondContact O-CA 3.42Å; T65-G123 PolarHBondContact O-N 3.17Å; T65-V185 PolarHBondContact OG1-O 2.88Å |
| 66 | R | 90.5 | Very high | 89.7 | Confident | 55 Ų | 55 | 20.5 Ų | 20.5 | 21% | 0.208 | 10% | 0.101 | C | C | . | . | trans | -119 | 12.1 | 164.7 | -64.8 | -165.9 | 174.8 | -70.7 | -10.5 | 112.4 | N68 A121 D122 I232 N233 F234 Y235 | R66-N68 PolarHBondContact O-N 2.99Å; R66-A121 WeakPolarHBondContact CA-O 3.4Å; R66-D122 PolarHBondContact NH1-O 2.87Å; R66-D122 PolarHBondContact NH2-O 2.91Å; R66-I232 VanDerWaalsContact NE-CG2 3.31Å; R66-N233 VanDerWaalsContact CD-O 3.25Å; R66-N233 WeakPolarHBondContact CD-O 3.44Å; R66-N233 PolarHBondContact NE-O 3.48Å; R66-N233 VanDerWaalsContact NE-O 3.15Å; R66-F234 HydrophobicContact CB-CD1 3.81Å; R66-F234 HydrophobicContact CB-CE1 3.93Å; R66-F234 HydrophobicContact CG-CD1 4.4Å; R66-F234 HydrophobicContact CG-CE1 4.47Å; R66-Y235 HydrophobicContact CG-CE2 4.39Å | ||
| 67 | S | 90.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 18 Ų | 18 | 9% | 0.091 | 9% | 0.087 | C | C | . | . | trans | -80.8 | 118.2 | -177.6 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | T65 T69 V185 | T65-S67 WeakPolarHBondContact OG1-CB 3.17Å; T65-S67 PolarHBondContact OG1-N 2.99Å; T65-S67 PolarHBondContact OG1-OG 3.32Å; S67-T69 PolarHBondContact O-N 3.35Å; S67-V185 WeakPolarHBondContact OG-CA 3.22Å; S67-V185 WeakPolarHBondContact OG-CB 3.26Å; S67-V185 PolarHBondContact OG-N 2.99Å; S67-V185 PolarHBondContact OG-O 3.15Å | ||
| 68 | N | 86.3 | Confident | 90.2 | Very high | 13 Ų | 13 | 18.3 Ų | 18.3 | 7% | 0.07 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -67.2 | -25.1 | 173.7 | -64.9 | -43 | 0 | 0 | 0 | 112.3 | R66 Y95 K96 E274 Q277 | R66-N68 PolarHBondContact O-N 2.99Å; N68-Y95 CarbonylContact O-C 3.54Å; N68-Y95 VanDerWaalsContact O-CA 3.3Å; N68-Y95 WeakPolarHBondContact O-CA 3.36Å; N68-Y95 PolarHBondContact O-N 3.37Å; N68-K96 HydrophobicContact CB-CG 4.33Å; N68-K96 PolarHBondContact O-N 3.15Å; N68-K96 WeakPolarHBondContact OD1-CE 3.48Å; N68-K96 VanDerWaalsContact OD1-CG 3.24Å; N68-K96 WeakPolarHBondContact OD1-CG 3.39Å; N68-E274 PolarHBondContact ND2-O 2.92Å; N68-Q277 HydrophobicContact CB-CB 4.43Å |
| 69 | T | 86.5 | Confident | 90.1 | Very high | 18 Ų | 18 | 19.4 Ų | 19.4 | 11% | 0.11 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -139.4 | 146.7 | -178.3 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | S67 L93 Y95 | S67-T69 PolarHBondContact O-N 3.35Å; T69-L93 CarbonylContact C-O 3.54Å; T69-L93 WeakPolarHBondContact CA-O 3.27Å; T69-Y95 HydrophobicContact CG2-CD1 3.96Å; T69-Y95 HydrophobicContact CG2-CE1 4.11Å; T69-Y95 HydrophobicContact CG2-CG 4.48Å |
| 70 | G | 88.5 | Confident | 90 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 7% | 0.072 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.4 | 154.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S92 L93 L182 | G70-S92 WeakPolarHBondContact O-CA 3.5Å; G70-L93 PolarHBondContact N-O 2.77Å; G70-L93 PolarHBondContact O-N 3.31Å; G70-L182 CarbonylContact C-O 3.54Å; G70-L182 VanDerWaalsContact CA-O 3.22Å; G70-L182 WeakPolarHBondContact CA-O 3.25Å |
| 71 | N | 90.2 | Very high | 89.7 | Confident | 20 Ų | 20 | 24.2 Ų | 24.2 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.3 | 173.1 | -64.7 | -27.5 | 0 | 0 | 0 | 110.7 | F171 L182 A184 | N71-F171 HydrophobicContact CB-CD1 4.29Å; N71-F171 HydrophobicContact CB-CE1 3.69Å; N71-F171 HydrophobicContact CB-CE2 4.05Å; N71-F171 HydrophobicContact CB-CZ 3.54Å; N71-F171 VanDerWaalsContact CG-CZ 3.48Å; N71-F171 WeakPolarHBondContact ND2-CE2 3.2Å; N71-F171 PolarHBondContact ND2-O 2.8Å; N71-L182 PolarHBondContact N-O 2.87Å; N71-A184 PolarHBondContact O-N 3.17Å |
| 72 | I | 92.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -62.3 | 174.4 | -63.4 | 158.3 | 0 | 0 | 0 | 108.8 | V61 L63 V91 L93 L98 I128 A169 G170 A184 | V61-I72 HydrophobicContact CG1-CG2 3.86Å; L63-I72 HydrophobicContact CD1-CG2 4.27Å; L63-I72 HydrophobicContact CD2-CD1 3.57Å; L63-I72 HydrophobicContact CD2-CG1 4.02Å; L63-I72 HydrophobicContact CD2-CG2 4.45Å; I72-V91 HydrophobicContact CB-CB 4.48Å; I72-V91 HydrophobicContact CB-CG1 4.16Å; I72-V91 HydrophobicContact CD1-CG1 3.99Å; I72-V91 PolarHBondContact N-O 3.27Å; I72-L93 HydrophobicContact CD1-CD1 4.03Å; I72-L93 HydrophobicContact CD1-CG 3.81Å; I72-L98 HydrophobicContact CD1-CD1 3.66Å; I72-I128 HydrophobicContact CD1-CD1 4.07Å; I72-A169 CarbonylContact O-C 3.39Å; I72-A169 VanDerWaalsContact O-CA 3.26Å; I72-A169 WeakPolarHBondContact O-CA 3.23Å; I72-G170 PolarHBondContact O-N 2.73Å; I72-A184 HydrophobicContact CG1-CB 4.08Å |
| 73 | L | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.1 | -176.7 | -161 | 80.2 | 0 | 0 | 0 | 111.9 | Y59 V61 V75 Y90 V91 V167 A169 F171 I190 | Y59-L73 HydrophobicContact CD1-CD2 4.44Å; Y59-L73 HydrophobicContact CD2-CD2 3.35Å; Y59-L73 HydrophobicContact CE1-CD2 4.46Å; Y59-L73 HydrophobicContact CE2-CD2 3.36Å; Y59-L73 HydrophobicContact CG-CD2 3.91Å; V61-L73 HydrophobicContact CG2-CB 4.23Å; V61-L73 HydrophobicContact CG2-CD1 4.42Å; V61-L73 HydrophobicContact CG2-CD2 3.88Å; V61-L73 HydrophobicContact CG2-CG 4.4Å; L73-V75 HydrophobicContact CD2-CG2 4.24Å; L73-Y90 CarbonylContact O-C 3.41Å; L73-Y90 WeakPolarHBondContact O-CA 3.28Å; L73-V91 HydrophobicContact CB-CB 4.37Å; L73-V91 PolarHBondContact N-O 3.03Å; L73-V91 VanDerWaalsContact N-O 3.16Å; L73-V91 PolarHBondContact O-N 3.01Å; L73-V167 HydrophobicContact CD1-CG1 3.93Å; L73-V167 HydrophobicContact CD2-CG1 4.15Å; L73-V167 HydrophobicContact CG-CG1 4.22Å; L73-A169 HydrophobicContact CD1-CB 3.92Å; L73-F171 VanDerWaalsContact C-CE1 3.45Å; L73-I190 HydrophobicContact CD1-CD1 3.72Å; L73-I190 HydrophobicContact CD2-CD1 3.92Å; L73-I190 HydrophobicContact CG-CD1 4.49Å |
| 74 | G | 88.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | A89 R168 F171 | G74-A89 CarbonylContact C-O 3.6Å; G74-A89 VanDerWaalsContact CA-O 3.3Å; G74-A89 WeakPolarHBondContact CA-O 2.9Å; G74-R168 PolarHBondContact N-O 2.92Å; G74-R168 PolarHBondContact O-N 2.89Å; G74-F171 VanDerWaalsContact N-CE1 3.27Å |
| 75 | V | 89.1 | Confident | 88 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.2 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | F57 Y59 L73 N88 A89 L165 V167 | F57-V75 HydrophobicContact CE1-CG1 4.35Å; Y59-V75 HydrophobicContact CD1-CG2 4.08Å; Y59-V75 HydrophobicContact CE1-CG2 3.64Å; L73-V75 HydrophobicContact CD2-CG2 4.24Å; V75-N88 WeakPolarHBondContact O-CA 3.38Å; V75-A89 HydrophobicContact CB-CB 4.4Å; V75-A89 PolarHBondContact N-O 2.74Å; V75-A89 PolarHBondContact O-N 3.34Å; V75-L165 HydrophobicContact CG1-CB 4.27Å; V75-L165 HydrophobicContact CG1-CD2 4.44Å; V75-V167 HydrophobicContact CG1-CG2 4.26Å; V75-V167 HydrophobicContact CG2-CG1 4.37Å; V75-V167 HydrophobicContact CG2-CG2 4.14Å |
| 76 | Q | 88.9 | Confident | 87.5 | Confident | 94 Ų | 94 | 42.9 Ų | 42.9 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.2 | 173.5 | -47.9 | -167.5 | -63.4 | 0 | 0 | 108.3 | N88 L165 K166 | Q76-N88 WeakPolarHBondContact CG-OD1 3.41Å; Q76-N88 PolarHBondContact NE2-OD1 2.9Å; Q76-L165 WeakPolarHBondContact O-CA 3.15Å; Q76-K166 HydrophobicContact CB-CB 4.37Å; Q76-K166 PolarHBondContact N-O 2.82Å; Q76-K166 PolarHBondContact O-N 3.16Å |
| 77 | A | 88.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I86 F87 L165 | A77-I86 PolarHBondContact O-N 2.9Å; A77-F87 HydrophobicContact CB-CD1 3.56Å; A77-F87 HydrophobicContact CB-CD2 4Å; A77-F87 HydrophobicContact CB-CE1 3.38Å; A77-F87 HydrophobicContact CB-CE2 3.83Å; A77-F87 HydrophobicContact CB-CG 3.87Å; A77-F87 HydrophobicContact CB-CZ 3.52Å; A77-F87 PolarHBondContact N-O 3.01Å; A77-F87 PolarHBondContact O-N 3.47Å; A77-L165 HydrophobicContact CB-CD2 3.45Å; A77-L165 VanDerWaalsContact CB-CD2 3.45Å |
| 78 | A | 88.6 | Confident | 87 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 155.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A80 R84 L163 Q164 | A78-A80 PolarHBondContact O-N 2.83Å; A78-R84 CarbonylContact C-O 3.52Å; A78-R84 WeakPolarHBondContact CA-O 3.37Å; A78-L163 CarbonylContact O-C 3.45Å; A78-L163 WeakPolarHBondContact O-CA 3.42Å; A78-Q164 PolarHBondContact N-O 2.89Å; A78-Q164 PolarHBondContact O-N 2.86Å |
| 79 | D | 87.2 | Confident | 87.1 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 16% | 0.16 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126 | 169.6 | 174.3 | -76.6 | 0 | 0 | 0 | 109.8 | T81 S82 D83 R84 I86 | D79-T81 PolarHBondContact O-N 2.87Å; D79-T81 WeakPolarHBondContact OD1-CA 3.22Å; D79-T81 PolarHBondContact OD1-N 2.92Å; D79-T81 PolarHBondContact OD1-OG1 3.38Å; D79-S82 WeakPolarHBondContact CB-OG 3.43Å; D79-S82 PolarHBondContact O-N 2.74Å; D79-S82 PolarHBondContact OD1-N 3.45Å; D79-S82 PolarHBondContact OD1-OG 2.83Å; D79-D83 VanDerWaalsContact O-CA 3.26Å; D79-D83 WeakPolarHBondContact O-CA 3.39Å; D79-D83 PolarHBondContact O-N 2.79Å; D79-R84 HydrophobicContact CB-CB 4.44Å; D79-R84 PolarHBondContact N-O 2.91Å; D79-I86 HydrophobicContact CB-CD1 4.36Å |
| 80 | A | 86 | Confident | 87.2 | Confident | 39 Ų | 39 | 41.8 Ų | 41.8 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | L50 A78 T162 Q164 | L50-A80 HydrophobicContact CD2-CB 3.74Å; A78-A80 PolarHBondContact O-N 2.83Å; A80-T162 HydrophobicContact CB-CG2 3.91Å; A80-T162 WeakPolarHBondContact CB-O 3.33Å; A80-T162 PolarHBondContact N-O 2.75Å; A80-Q164 HydrophobicContact CB-CB 4.19Å |
| 81 | T | 84.8 | Confident | 87.3 | Confident | 132 Ų | 132 | 41.5 Ų | 41.5 | 81% | 0.81 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -29 | 180 | 70.5 | 0 | 0 | 0 | 0 | 113.1 | D79 | D79-T81 PolarHBondContact O-N 2.87Å; D79-T81 WeakPolarHBondContact OD1-CA 3.22Å; D79-T81 PolarHBondContact OD1-N 2.92Å; D79-T81 PolarHBondContact OD1-OG1 3.38Å |
| 82 | S | 84.7 | Confident | 87.3 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -5.9 | -173.7 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | D79 R84 | D79-S82 WeakPolarHBondContact CB-OG 3.43Å; D79-S82 PolarHBondContact O-N 2.74Å; D79-S82 PolarHBondContact OD1-N 3.45Å; D79-S82 PolarHBondContact OD1-OG 2.83Å; S82-R84 PolarHBondContact O-N 2.79Å; S82-R84 WeakPolarHBondContact OG-CB 3.18Å |
| 83 | D | 81.1 | Confident | 87.2 | Confident | 92 Ų | 92 | 41.5 Ų | 41.5 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | trans | 50.3 | 20.9 | -170.2 | -153.7 | 24.9 | 0 | 0 | 0 | 113.5 | D79 K166 | D79-D83 VanDerWaalsContact O-CA 3.26Å; D79-D83 WeakPolarHBondContact O-CA 3.39Å; D79-D83 PolarHBondContact O-N 2.79Å; D83-K166 IonicContact OD1-NZ 2.86Å; D83-K166 PolarHBondContact OD1-NZ 3.18Å; D83-K166 IonicContact OD2-NZ 2.72Å; D83-K166 PolarHBondContact OD2-NZ 2.92Å | ||
| 84 | R | 86.1 | Confident | 86.9 | Confident | 180 Ų | 180 | 45.2 Ų | 45.2 | 68% | 0.679 | 24% | 0.242 | S | C | * | . | trans | -71.5 | 125.5 | 178.5 | 179.9 | 179.8 | 174.6 | 173.9 | -1.8 | 109.2 | A78 D79 S82 I86 | A78-R84 CarbonylContact C-O 3.52Å; A78-R84 WeakPolarHBondContact CA-O 3.37Å; D79-R84 HydrophobicContact CB-CB 4.44Å; D79-R84 PolarHBondContact N-O 2.91Å; S82-R84 PolarHBondContact O-N 2.79Å; S82-R84 WeakPolarHBondContact OG-CB 3.18Å; R84-I86 PolarHBondContact O-N 2.87Å | ||
| 85 | P | 84.6 | Confident | 86.6 | Confident | 74 Ų | 74 | 46 Ų | 46 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 135.1 | 179.3 | 27.7 | -35.1 | 0 | 0 | 0 | 111 | S105 | P85-S105 VanDerWaalsContact O-CB 3.27Å; P85-S105 WeakPolarHBondContact O-CB 3.28Å; P85-S105 PolarHBondContact O-OG 2.84Å; P85-S105 VanDerWaalsContact O-OG 3.13Å |
| 86 | I | 84 | Confident | 86.3 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 23% | 0.226 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -60.4 | 178.6 | -54.7 | -55.5 | 0 | 0 | 0 | 109.2 | A77 D79 R84 S105 I157 L163 | A77-I86 PolarHBondContact O-N 2.9Å; D79-I86 HydrophobicContact CB-CD1 4.36Å; R84-I86 PolarHBondContact O-N 2.87Å; I86-S105 VanDerWaalsContact O-CB 3.29Å; I86-S105 WeakPolarHBondContact O-CB 3.33Å; I86-S105 PolarHBondContact O-N 2.85Å; I86-S105 PolarHBondContact O-OG 2.9Å; I86-I157 HydrophobicContact CG2-CD1 4.36Å; I86-I157 HydrophobicContact CG2-CG1 4.34Å; I86-L163 HydrophobicContact CB-CD2 4.45Å; I86-L163 HydrophobicContact CG1-CD2 3.76Å |
| 87 | F | 84.8 | Confident | 86.2 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.9 | 176.8 | 69.4 | -98.3 | 0 | 0 | 0 | 112.8 | W51 A77 A89 A103 L104 I132 I157 L163 L165 | W51-F87 HydrophobicContact CZ3-CE1 4.31Å; W51-F87 HydrophobicContact CZ3-CZ 4.32Å; A77-F87 HydrophobicContact CB-CD1 3.56Å; A77-F87 HydrophobicContact CB-CD2 4Å; A77-F87 HydrophobicContact CB-CE1 3.38Å; A77-F87 HydrophobicContact CB-CE2 3.83Å; A77-F87 HydrophobicContact CB-CG 3.87Å; A77-F87 HydrophobicContact CB-CZ 3.52Å; A77-F87 PolarHBondContact N-O 3.01Å; A77-F87 PolarHBondContact O-N 3.47Å; F87-A89 HydrophobicContact CD2-CB 4.4Å; F87-A89 HydrophobicContact CE2-CB 4.3Å; F87-A103 WeakPolarHBondContact CA-O 3.33Å; F87-L104 HydrophobicContact CB-CD2 3.98Å; F87-I132 HydrophobicContact CE2-CD1 3.82Å; F87-I132 HydrophobicContact CZ-CD1 3.99Å; F87-I157 HydrophobicContact CD1-CD1 3.96Å; F87-I157 HydrophobicContact CE1-CD1 3.87Å; F87-L163 HydrophobicContact CE1-CD1 4.1Å; F87-L165 HydrophobicContact CZ-CD2 4.49Å |
| 88 | N | 86.2 | Confident | 86.3 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.4 | 165.4 | -61.6 | -92.3 | 0 | 0 | 0 | 109.3 | V75 Q76 Y90 I102 A103 | V75-N88 WeakPolarHBondContact O-CA 3.38Å; Q76-N88 WeakPolarHBondContact CG-OD1 3.41Å; Q76-N88 PolarHBondContact NE2-OD1 2.9Å; N88-Y90 HydrophobicContact CB-CD2 4.29Å; N88-Y90 HydrophobicContact CB-CE2 3.46Å; N88-Y90 VanDerWaalsContact CB-CE2 3.46Å; N88-Y90 PolarHBondContact OD1-OH 2.97Å; N88-I102 WeakPolarHBondContact O-CA 3.34Å; N88-A103 PolarHBondContact N-O 2.9Å; N88-A103 PolarHBondContact O-N 2.69Å |
| 89 | A | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | G74 V75 F87 T101 I102 I132 | G74-A89 CarbonylContact C-O 3.6Å; G74-A89 VanDerWaalsContact CA-O 3.3Å; G74-A89 WeakPolarHBondContact CA-O 2.9Å; V75-A89 HydrophobicContact CB-CB 4.4Å; V75-A89 PolarHBondContact N-O 2.74Å; V75-A89 PolarHBondContact O-N 3.34Å; F87-A89 HydrophobicContact CD2-CB 4.4Å; F87-A89 HydrophobicContact CE2-CB 4.3Å; A89-T101 CarbonylContact C-O 3.55Å; A89-T101 WeakPolarHBondContact CA-O 3.27Å; A89-I102 HydrophobicContact CB-CD1 4.11Å; A89-I102 HydrophobicContact CB-CG1 3.68Å; A89-I132 HydrophobicContact CB-CD1 4.43Å |
| 90 | Y | 88.5 | Confident | 86.5 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 121.1 | -177.3 | -61.5 | -65.9 | 0 | 0 | 0 | 110.9 | L73 N88 L100 T101 F171 | L73-Y90 CarbonylContact O-C 3.41Å; L73-Y90 WeakPolarHBondContact O-CA 3.28Å; N88-Y90 HydrophobicContact CB-CD2 4.29Å; N88-Y90 HydrophobicContact CB-CE2 3.46Å; N88-Y90 VanDerWaalsContact CB-CE2 3.46Å; N88-Y90 PolarHBondContact OD1-OH 2.97Å; Y90-L100 WeakPolarHBondContact O-CA 3.28Å; Y90-T101 PolarHBondContact N-O 2.81Å; Y90-T101 PolarHBondContact O-N 2.84Å; Y90-F171 HydrophobicContact CD1-CE1 4.16Å; Y90-F171 AromaticContact CD1-CE2 3.6Å; Y90-F171 HydrophobicContact CD1-CE2 3.6Å; Y90-F171 AromaticContact CD1-CZ 3.26Å; Y90-F171 HydrophobicContact CD1-CZ 3.26Å; Y90-F171 HydrophobicContact CE1-CD2 4.44Å; Y90-F171 AromaticContact CE1-CE2 3.58Å; Y90-F171 HydrophobicContact CE1-CE2 3.58Å; Y90-F171 AromaticContact CE1-CZ 3.71Å; Y90-F171 HydrophobicContact CE1-CZ 3.71Å; Y90-F171 HydrophobicContact CG-CZ 4.25Å |
| 91 | V | 91.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119.6 | 167.3 | -178.2 | 0 | 0 | 0 | 0 | 108 | Y59 I72 L73 L98 F99 L100 I128 V130 | Y59-V91 HydrophobicContact CE2-CG2 3.95Å; Y59-V91 WeakPolarHBondContact OH-CG2 3.48Å; I72-V91 HydrophobicContact CB-CB 4.48Å; I72-V91 HydrophobicContact CB-CG1 4.16Å; I72-V91 HydrophobicContact CD1-CG1 3.99Å; I72-V91 PolarHBondContact N-O 3.27Å; L73-V91 HydrophobicContact CB-CB 4.37Å; L73-V91 PolarHBondContact N-O 3.03Å; L73-V91 VanDerWaalsContact N-O 3.16Å; L73-V91 PolarHBondContact O-N 3.01Å; V91-L98 HydrophobicContact CG1-CD1 3.73Å; V91-L98 HydrophobicContact CG1-CG 4.45Å; V91-F99 WeakPolarHBondContact CA-O 3.38Å; V91-L100 HydrophobicContact CG2-CD1 3.93Å; V91-I128 HydrophobicContact CG1-CD1 4.26Å; V91-I128 HydrophobicContact CG1-CG2 4.38Å; V91-V130 HydrophobicContact CG2-CG2 3.94Å |
| 92 | S | 90.3 | Very high | 86.6 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.9 | -179.1 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | G70 F99 | G70-S92 WeakPolarHBondContact O-CA 3.5Å; S92-F99 PolarHBondContact N-O 3.02Å; S92-F99 PolarHBondContact O-N 3.2Å |
| 93 | L | 89.1 | Confident | 86.5 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.4 | 166.2 | -73.2 | 165.2 | 0 | 0 | 0 | 109.4 | T65 T69 G70 I72 V97 L98 L120 | T65-L93 HydrophobicContact CG2-CD1 3.79Å; T69-L93 CarbonylContact C-O 3.54Å; T69-L93 WeakPolarHBondContact CA-O 3.27Å; G70-L93 PolarHBondContact N-O 2.77Å; G70-L93 PolarHBondContact O-N 3.31Å; I72-L93 HydrophobicContact CD1-CD1 4.03Å; I72-L93 HydrophobicContact CD1-CG 3.81Å; L93-V97 WeakPolarHBondContact CA-O 3.48Å; L93-L98 HydrophobicContact CD2-CB 4.38Å; L93-L98 HydrophobicContact CD2-CD1 4.09Å; L93-L98 HydrophobicContact CG-CD1 4.37Å; L93-L120 HydrophobicContact CD2-CB 4.13Å; L93-L120 HydrophobicContact CD2-CD1 3.99Å |
| 94 | K | 84 | Confident | 86.5 | Confident | 79 Ų | 79 | 31 Ų | 31 | 34% | 0.343 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 110.7 | 168.8 | -172.2 | -177.4 | -173.5 | -177.8 | 0 | 108.7 | K96 V97 F99 E303 | K94-K96 PolarHBondContact O-N 3.19Å; K94-V97 PolarHBondContact N-O 2.99Å; K94-V97 WeakPolarHBondContact O-CB 3.43Å; K94-V97 PolarHBondContact O-N 2.83Å; K94-V97 VanDerWaalsContact O-N 3.09Å; K94-F99 HydrophobicContact CB-CD2 3.89Å; K94-F99 HydrophobicContact CB-CE2 3.81Å; K94-E303 WeakPolarHBondContact CE-OE1 3.46Å; K94-E303 WeakPolarHBondContact CE-OE2 3.37Å; K94-E303 IonicContact NZ-OE1 2.69Å; K94-E303 PolarHBondContact NZ-OE1 3.41Å; K94-E303 IonicContact NZ-OE2 3.65Å |
| 95 | Y | 82 | Confident | 86 | Confident | 17 Ų | 17 | 24.5 Ų | 24.5 | 7% | 0.067 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 48.9 | -178.3 | -55.7 | -57.3 | 0 | 0 | 0 | 113.4 | N68 T69 V97 E273 S276 Q277 I378 I380 | N68-Y95 CarbonylContact O-C 3.54Å; N68-Y95 VanDerWaalsContact O-CA 3.3Å; N68-Y95 WeakPolarHBondContact O-CA 3.36Å; N68-Y95 PolarHBondContact O-N 3.37Å; T69-Y95 HydrophobicContact CG2-CD1 3.96Å; T69-Y95 HydrophobicContact CG2-CE1 4.11Å; T69-Y95 HydrophobicContact CG2-CG 4.48Å; Y95-V97 PolarHBondContact O-N 3.01Å; Y95-V97 VanDerWaalsContact O-N 3.12Å; Y95-E273 HydrophobicContact CE1-CG 3.8Å; Y95-E273 PolarHBondContact OH-OE1 2.82Å; Y95-S276 WeakPolarHBondContact CE1-OG 3.42Å; Y95-Q277 HydrophobicContact CD1-CG 4.19Å; Y95-Q277 HydrophobicContact CG-CG 4.49Å; Y95-I378 HydrophobicContact CD2-CG2 3.87Å; Y95-I378 HydrophobicContact CG-CG2 4.09Å; Y95-I380 HydrophobicContact CD1-CG1 4.29Å; Y95-I380 HydrophobicContact CD1-CG2 4.41Å; Y95-I380 HydrophobicContact CD2-CD1 4.17Å; Y95-I380 HydrophobicContact CD2-CG1 3.99Å; Y95-I380 HydrophobicContact CE1-CD1 4.27Å; Y95-I380 HydrophobicContact CE1-CG1 4.05Å; Y95-I380 HydrophobicContact CE1-CG2 3.86Å; Y95-I380 HydrophobicContact CE2-CD1 3.49Å; Y95-I380 VanDerWaalsContact CE2-CD1 3.49Å; Y95-I380 HydrophobicContact CE2-CG1 3.77Å; Y95-I380 HydrophobicContact CG-CG1 4.26Å |
| 96 | K | 84.2 | Confident | 85.4 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | -5.1 | -173.6 | -59.4 | -175.5 | 157.8 | -148.4 | 0 | 116.3 | N68 K94 D119 A121 Q277 S279 Y352 | N68-K96 HydrophobicContact CB-CG 4.33Å; N68-K96 PolarHBondContact O-N 3.15Å; N68-K96 WeakPolarHBondContact OD1-CE 3.48Å; N68-K96 VanDerWaalsContact OD1-CG 3.24Å; N68-K96 WeakPolarHBondContact OD1-CG 3.39Å; K94-K96 PolarHBondContact O-N 3.19Å; K96-D119 WeakPolarHBondContact CD-OD1 3.37Å; K96-D119 IonicContact NZ-OD1 2.79Å; K96-D119 PolarHBondContact NZ-OD1 2.67Å; K96-D119 IonicContact NZ-OD2 3.75Å; K96-D119 PolarHBondContact NZ-OD2 2.8Å; K96-A121 HydrophobicContact CD-CB 4.44Å; K96-A121 HydrophobicContact CG-CB 4.07Å; K96-Q277 HydrophobicContact CD-CB 4.03Å; K96-Q277 WeakPolarHBondContact CE-O 3.41Å; K96-Q277 HydrophobicContact CG-CB 4.07Å; K96-S279 PolarHBondContact NZ-OG 3.19Å; K96-Y352 HydrophobicContact CD-CD2 3.9Å; K96-Y352 HydrophobicContact CD-CE2 4.35Å |
| 97 | V | 86.2 | Confident | 84.5 | Confident | 16 Ų | 16 | 28.3 Ų | 28.3 | 10% | 0.097 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133 | 174 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | L93 K94 Y95 F99 R114 H115 I378 | L93-V97 WeakPolarHBondContact CA-O 3.48Å; K94-V97 PolarHBondContact N-O 2.99Å; K94-V97 WeakPolarHBondContact O-CB 3.43Å; K94-V97 PolarHBondContact O-N 2.83Å; K94-V97 VanDerWaalsContact O-N 3.09Å; Y95-V97 PolarHBondContact O-N 3.01Å; Y95-V97 VanDerWaalsContact O-N 3.12Å; V97-F99 HydrophobicContact CB-CD2 4.4Å; V97-F99 HydrophobicContact CB-CE2 3.71Å; V97-F99 HydrophobicContact CB-CZ 4.31Å; V97-F99 HydrophobicContact CG1-CD2 4.09Å; V97-F99 HydrophobicContact CG1-CE1 4.49Å; V97-F99 HydrophobicContact CG1-CE2 3.46Å; V97-F99 VanDerWaalsContact CG1-CE2 3.46Å; V97-F99 HydrophobicContact CG1-CZ 3.71Å; V97-R114 HydrophobicContact CG1-CG 3.53Å; V97-H115 WeakPolarHBondContact CG1-O 3.28Å; V97-I378 HydrophobicContact CG2-CD1 4.19Å |
| 98 | L | 90.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.5 | 174.4 | -171.8 | 73 | 0 | 0 | 0 | 110.1 | I72 V91 L93 R114 H115 L120 I128 L141 V143 | I72-L98 HydrophobicContact CD1-CD1 3.66Å; V91-L98 HydrophobicContact CG1-CD1 3.73Å; V91-L98 HydrophobicContact CG1-CG 4.45Å; L93-L98 HydrophobicContact CD2-CB 4.38Å; L93-L98 HydrophobicContact CD2-CD1 4.09Å; L93-L98 HydrophobicContact CG-CD1 4.37Å; L98-R114 WeakPolarHBondContact O-CA 3.37Å; L98-H115 HydrophobicContact CB-CB 4.2Å; L98-H115 HydrophobicContact CD2-CB 4.49Å; L98-H115 PolarHBondContact N-O 2.94Å; L98-H115 PolarHBondContact O-N 3.25Å; L98-L120 HydrophobicContact CB-CD1 3.87Å; L98-L120 HydrophobicContact CD1-CD1 3.81Å; L98-L120 HydrophobicContact CD2-CD1 3.94Å; L98-L120 HydrophobicContact CG-CD1 4.08Å; L98-I128 HydrophobicContact CD1-CD1 3.95Å; L98-I128 HydrophobicContact CD2-CD1 3.95Å; L98-I128 HydrophobicContact CD2-CG1 4.16Å; L98-I128 HydrophobicContact CD2-CG2 4.05Å; L98-L141 HydrophobicContact CD2-CD1 4.11Å; L98-L141 HydrophobicContact CD2-CD2 4.33Å; L98-V143 HydrophobicContact CD2-CG2 3.55Å |
| 99 | F | 89.1 | Confident | 81.7 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.7 | 173.8 | -69.2 | -89.5 | 0 | 0 | 0 | 110 | V91 S92 K94 V97 L113 R114 I378 | V91-F99 WeakPolarHBondContact CA-O 3.38Å; S92-F99 PolarHBondContact N-O 3.02Å; S92-F99 PolarHBondContact O-N 3.2Å; K94-F99 HydrophobicContact CB-CD2 3.89Å; K94-F99 HydrophobicContact CB-CE2 3.81Å; V97-F99 HydrophobicContact CB-CD2 4.4Å; V97-F99 HydrophobicContact CB-CE2 3.71Å; V97-F99 HydrophobicContact CB-CZ 4.31Å; V97-F99 HydrophobicContact CG1-CD2 4.09Å; V97-F99 HydrophobicContact CG1-CE1 4.49Å; V97-F99 HydrophobicContact CG1-CE2 3.46Å; V97-F99 VanDerWaalsContact CG1-CE2 3.46Å; V97-F99 HydrophobicContact CG1-CZ 3.71Å; F99-L113 WeakPolarHBondContact CA-O 3.38Å; F99-R114 HydrophobicContact CD1-CB 4.3Å; F99-R114 HydrophobicContact CD1-CG 4.27Å; F99-R114 HydrophobicContact CE1-CB 4.14Å; F99-R114 HydrophobicContact CE1-CG 3.77Å; F99-R114 HydrophobicContact CZ-CG 4.08Å; F99-I378 HydrophobicContact CE2-CD1 4.32Å; F99-I378 HydrophobicContact CZ-CD1 4.05Å |
| 100 | L | 91.5 | Very high | 80.5 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 109.9 | 160.1 | 170 | 60.7 | 0 | 0 | 0 | 107.7 | Y90 V91 I102 A112 L113 V130 V139 L141 | Y90-L100 WeakPolarHBondContact O-CA 3.28Å; V91-L100 HydrophobicContact CG2-CD1 3.93Å; L100-I102 HydrophobicContact CD1-CD1 4.37Å; L100-I102 HydrophobicContact CD1-CG1 4.3Å; L100-I102 HydrophobicContact CG-CD1 4.46Å; L100-A112 CarbonylContact O-C 3.41Å; L100-A112 VanDerWaalsContact O-CA 3.28Å; L100-A112 WeakPolarHBondContact O-CA 3.38Å; L100-L113 HydrophobicContact CB-CB 4.3Å; L100-L113 HydrophobicContact CD2-CD1 4.43Å; L100-L113 PolarHBondContact N-O 3.15Å; L100-L113 PolarHBondContact O-N 3.46Å; L100-V130 HydrophobicContact CD1-CG1 4.14Å; L100-V130 HydrophobicContact CD1-CG2 4.31Å; L100-V130 HydrophobicContact CD2-CB 4.32Å; L100-V130 HydrophobicContact CD2-CG1 3.52Å; L100-V130 HydrophobicContact CD2-CG2 3.88Å; L100-V139 HydrophobicContact CD2-CG1 3.42Å; L100-V139 VanDerWaalsContact CD2-CG1 3.42Å; L100-V139 HydrophobicContact CG-CG1 4.35Å; L100-L141 HydrophobicContact CB-CD1 4.3Å; L100-L141 HydrophobicContact CB-CD2 4.04Å; L100-L141 HydrophobicContact CD2-CB 4.01Å; L100-L141 HydrophobicContact CD2-CD1 4.43Å |
| 101 | T | 87.2 | Confident | 79.3 | Confident | 36 Ų | 36 | 40.3 Ų | 40.3 | 22% | 0.221 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123 | -174 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | A89 Y90 I110 | A89-T101 CarbonylContact C-O 3.55Å; A89-T101 WeakPolarHBondContact CA-O 3.27Å; Y90-T101 PolarHBondContact N-O 2.81Å; Y90-T101 PolarHBondContact O-N 2.84Å; T101-I110 HydrophobicContact CG2-CG2 3.33Å |
| 102 | I | 85.8 | Confident | 78.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.5 | 177.9 | -65.6 | 172.7 | 0 | 0 | 0 | 110.3 | N88 A89 L100 I110 V111 V139 L153 | N88-I102 WeakPolarHBondContact O-CA 3.34Å; A89-I102 HydrophobicContact CB-CD1 4.11Å; A89-I102 HydrophobicContact CB-CG1 3.68Å; L100-I102 HydrophobicContact CD1-CD1 4.37Å; L100-I102 HydrophobicContact CD1-CG1 4.3Å; L100-I102 HydrophobicContact CG-CD1 4.46Å; I102-I110 WeakPolarHBondContact O-CA 3.41Å; I102-V111 PolarHBondContact N-O 2.86Å; I102-V111 PolarHBondContact O-N 3.03Å; I102-V111 VanDerWaalsContact O-N 3.14Å; I102-V139 HydrophobicContact CD1-CB 3.89Å; I102-V139 HydrophobicContact CD1-CG1 3.49Å; I102-V139 VanDerWaalsContact CD1-CG1 3.49Å; I102-V139 HydrophobicContact CD1-CG2 3.27Å; I102-L153 HydrophobicContact CB-CD1 4.36Å; I102-L153 HydrophobicContact CD1-CD1 4.45Å; I102-L153 HydrophobicContact CG2-CD1 3.78Å; I102-L153 HydrophobicContact CG2-CD2 4.24Å |
| 103 | A | 81.3 | Confident | 78.1 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.5 | 178 | 0 | 0 | 0 | 0 | 0 | 109.6 | F87 N88 | F87-A103 WeakPolarHBondContact CA-O 3.33Å; N88-A103 PolarHBondContact N-O 2.9Å; N88-A103 PolarHBondContact O-N 2.69Å |
| 104 | L | 80.4 | Confident | 78 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 137.8 | 173.6 | -73.8 | 165.7 | 0 | 0 | 0 | 110.3 | F87 G106 H107 L137 L153 P154 | F87-L104 HydrophobicContact CB-CD2 3.98Å; L104-G106 PolarHBondContact O-N 3.3Å; L104-H107 HydrophobicContact CB-CB 4.04Å; L104-H107 PolarHBondContact O-N 3.45Å; L104-L137 HydrophobicContact CD1-CD2 4.32Å; L104-L137 HydrophobicContact CD2-CD2 3.91Å; L104-L153 HydrophobicContact CD1-CB 4.27Å; L104-L153 HydrophobicContact CD1-CD2 3.85Å; L104-L153 HydrophobicContact CG-CD2 4.26Å; L104-P154 WeakPolarHBondContact CD1-O 3.25Å |
| 105 | S | 77 | Confident | 78.2 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 134.9 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | P85 I86 H107 | P85-S105 VanDerWaalsContact O-CB 3.27Å; P85-S105 WeakPolarHBondContact O-CB 3.28Å; P85-S105 PolarHBondContact O-OG 2.84Å; P85-S105 VanDerWaalsContact O-OG 3.13Å; I86-S105 VanDerWaalsContact O-CB 3.29Å; I86-S105 WeakPolarHBondContact O-CB 3.33Å; I86-S105 PolarHBondContact O-N 2.85Å; I86-S105 PolarHBondContact O-OG 2.9Å; S105-H107 PolarHBondContact O-N 3.32Å; S105-H107 PolarHBondContact O-ND1 2.99Å |
| 106 | G | 70.8 | Confident | 78.1 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 93% | 0.928 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | -3.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L104 | L104-G106 PolarHBondContact O-N 3.3Š|
| 107 | H | 66.1 | Low | 78 | Confident | 108 Ų | 108 | 45.6 Ų | 45.6 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | trans | -110.3 | 142.7 | 179 | -65.7 | 77 | 0 | 0 | 0 | 111.1 | L104 S105 N109 | L104-H107 HydrophobicContact CB-CB 4.04Å; L104-H107 PolarHBondContact O-N 3.45Å; S105-H107 PolarHBondContact O-N 3.32Å; S105-H107 PolarHBondContact O-ND1 2.99Å; H107-N109 PolarHBondContact O-N 2.9Å | ||
| 108 | S | 58.2 | Low | 78 | Confident | 110 Ų | 110 | 46 Ų | 46 | 77% | 0.769 | 29% | 0.288 | S | S | * | . | trans | -74.5 | -14.7 | 170.4 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | I110 | S108-I110 PolarHBondContact O-N 2.75Š| ||
| 109 | N | 53.1 | Low | 77.7 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | trans | -78.2 | 116.6 | -170.3 | -66.2 | -13.2 | 0 | 0 | 0 | 110.6 | H107 P154 | H107-N109 PolarHBondContact O-N 2.9Å; N109-P154 HydrophobicContact CB-CG 4.29Å; N109-P154 WeakPolarHBondContact ND2-CG 3.09Å | ||
| 110 | I | 62.4 | Low | 77.7 | Confident | 112 Ų | 112 | 46 Ų | 46 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 112.5 | 170.5 | -61.4 | 175.1 | 0 | 0 | 0 | 106.7 | T101 I102 S108 | T101-I110 HydrophobicContact CG2-CG2 3.33Å; I102-I110 WeakPolarHBondContact O-CA 3.41Å; S108-I110 PolarHBondContact O-N 2.75Å |
| 111 | V | 63.8 | Low | 77.6 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.1 | 166.8 | 171.2 | 0 | 0 | 0 | 0 | 107.5 | I102 A151 L153 | I102-V111 PolarHBondContact N-O 2.86Å; I102-V111 PolarHBondContact O-N 3.03Å; I102-V111 VanDerWaalsContact O-N 3.14Å; V111-A151 HydrophobicContact CG1-CB 3.52Å; V111-L153 HydrophobicContact CB-CD2 3.74Å; V111-L153 HydrophobicContact CB-CG 4.18Å; V111-L153 HydrophobicContact CG2-CD2 3.41Å; V111-L153 VanDerWaalsContact CG2-CD2 3.41Å; V111-L153 HydrophobicContact CG2-CG 3.88Å |
| 112 | A | 69.2 | Low | 77.5 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 105.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L100 | L100-A112 CarbonylContact O-C 3.41Å; L100-A112 VanDerWaalsContact O-CA 3.28Å; L100-A112 WeakPolarHBondContact O-CA 3.38Å |
| 113 | L | 88 | Confident | 77.6 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139 | 164.3 | -72.3 | 177 | 0 | 0 | 0 | 108.6 | F99 L100 V139 L141 Q149 A151 | F99-L113 WeakPolarHBondContact CA-O 3.38Å; L100-L113 HydrophobicContact CB-CB 4.3Å; L100-L113 HydrophobicContact CD2-CD1 4.43Å; L100-L113 PolarHBondContact N-O 3.15Å; L100-L113 PolarHBondContact O-N 3.46Å; L113-V139 HydrophobicContact CD1-CG1 4.35Å; L113-L141 HydrophobicContact CB-CB 4.21Å; L113-L141 HydrophobicContact CB-CD2 3.98Å; L113-L141 HydrophobicContact CD1-CB 3.75Å; L113-Q149 HydrophobicContact CD1-CB 4.33Å; L113-Q149 WeakPolarHBondContact CD1-O 3.17Å; L113-Q149 HydrophobicContact CD2-CB 4.08Å; L113-A151 HydrophobicContact CD1-CB 4.37Å; L113-A151 HydrophobicContact CD2-CB 3.8Å; L113-A151 HydrophobicContact CG-CB 4.07Å |
| 114 | R | 86.3 | Confident | 77.9 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 114.3 | -170.2 | -178.7 | -169.4 | 168.9 | -179.5 | -0.3 | 109.7 | V97 L98 F99 C116 Q149 E376 | V97-R114 HydrophobicContact CG1-CG 3.53Å; L98-R114 WeakPolarHBondContact O-CA 3.37Å; F99-R114 HydrophobicContact CD1-CB 4.3Å; F99-R114 HydrophobicContact CD1-CG 4.27Å; F99-R114 HydrophobicContact CE1-CB 4.14Å; F99-R114 HydrophobicContact CE1-CG 3.77Å; F99-R114 HydrophobicContact CZ-CG 4.08Å; R114-C116 PolarHBondContact NE-SG 3.49Å; R114-Q149 PolarHBondContact O-NE2 2.9Å; R114-Q149 PolarHBondContact O-OE1 3.47Å; R114-E376 PolarHBondContact NH1-O 2.93Å |
| 115 | H | 88.8 | Confident | 78.3 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.8 | 175.8 | 175.8 | 102.4 | 0 | 0 | 0 | 110.5 | V97 L98 S117 T118 L141 V143 E146 | V97-H115 WeakPolarHBondContact CG1-O 3.28Å; L98-H115 HydrophobicContact CB-CB 4.2Å; L98-H115 HydrophobicContact CD2-CB 4.49Å; L98-H115 PolarHBondContact N-O 2.94Å; L98-H115 PolarHBondContact O-N 3.25Å; H115-S117 PolarHBondContact CE1-OG 2.85Å; H115-T118 WeakPolarHBondContact NE2-CB 3.44Å; H115-T118 PolarHBondContact NE2-N 3.23Å; H115-T118 VanDerWaalsContact NE2-N 3.11Å; H115-L141 HydrophobicContact CB-CD2 4.18Å; H115-V143 HydrophobicContact CB-CG2 4.14Å; H115-E146 VanDerWaalsContact CE1-CD 3.43Å; H115-E146 IonicContact CE1-OE1 2.58Å; H115-E146 PolarHBondContact CE1-OE1 3.23Å; H115-E146 IonicContact CE1-OE2 2.69Å; H115-E146 PolarHBondContact CE1-OE2 3.37Å; H115-E146 VanDerWaalsContact CE1-OE2 3.22Å; H115-E146 IonicContact ND1-OE2 3.01Å; H115-E146 IonicContact NE2-OE1 3.62Å |
| 116 | C | 79.6 | Confident | 79.1 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | trans | -130.8 | -11.3 | -172.5 | -46.6 | 0 | 0 | 0 | 0 | 114.2 | R114 H353 | R114-C116 PolarHBondContact NE-SG 3.49Å; C116-H353 VanDerWaalsContact O-CA 3.26Å; C116-H353 WeakPolarHBondContact O-CA 3.37Å; C116-H353 WeakPolarHBondContact O-CB 3.26Å | ||
| 117 | S | 81.5 | Confident | 80.1 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -78.1 | -32.7 | -167.7 | 14.5 | 0 | 0 | 0 | 0 | 112.6 | H115 E146 H353 | H115-S117 PolarHBondContact CE1-OG 2.85Å; S117-E146 WeakPolarHBondContact CB-OE1 3.5Å; S117-E146 WeakPolarHBondContact CB-OE2 3.18Å; S117-E146 PolarHBondContact OG-OE1 3.37Å; S117-E146 PolarHBondContact OG-OE2 2.99Å; S117-H353 WeakPolarHBondContact O-CB 3.36Å |
| 118 | T | 86.2 | Confident | 81.4 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -104.2 | 134.2 | 175.3 | -74.2 | 0 | 0 | 0 | 0 | 112.1 | H115 L120 H126 E146 | H115-T118 WeakPolarHBondContact NE2-CB 3.44Å; H115-T118 PolarHBondContact NE2-N 3.23Å; H115-T118 VanDerWaalsContact NE2-N 3.11Å; T118-L120 HydrophobicContact CG2-CD2 3.95Å; T118-L120 HydrophobicContact CG2-CG 4.35Å; T118-L120 PolarHBondContact O-N 3.1Å; T118-H126 VanDerWaalsContact CG2-CE1 3.43Å; T118-H126 WeakPolarHBondContact CG2-CE1 3.36Å; T118-H126 WeakPolarHBondContact CG2-ND1 3.48Å; T118-E146 PolarHBondContact OG1-OE1 2.62Å |
| 119 | D | 85.3 | Confident | 83.1 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 19% | 0.187 | 24% | 0.236 | C | C | . | . | trans | -87.8 | 84.6 | 175.1 | -176.5 | 4.2 | 0 | 0 | 0 | 110.7 | K96 A121 D122 | K96-D119 WeakPolarHBondContact CD-OD1 3.37Å; K96-D119 IonicContact NZ-OD1 2.79Å; K96-D119 PolarHBondContact NZ-OD1 2.67Å; K96-D119 IonicContact NZ-OD2 3.75Å; K96-D119 PolarHBondContact NZ-OD2 2.8Å; D119-A121 PolarHBondContact O-N 2.96Å; D119-A121 PolarHBondContact OD1-N 2.85Å; D119-D122 WeakPolarHBondContact O-CB 3.33Å; D119-D122 PolarHBondContact O-N 3.09Å | ||
| 120 | L | 89 | Confident | 84.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -8.3 | -180 | -62.7 | 171.6 | 0 | 0 | 0 | 114.5 | T65 L93 L98 T118 H126 I128 V143 | T65-L120 WeakPolarHBondContact CG2-O 3.48Å; L93-L120 HydrophobicContact CD2-CB 4.13Å; L93-L120 HydrophobicContact CD2-CD1 3.99Å; L98-L120 HydrophobicContact CB-CD1 3.87Å; L98-L120 HydrophobicContact CD1-CD1 3.81Å; L98-L120 HydrophobicContact CD2-CD1 3.94Å; L98-L120 HydrophobicContact CG-CD1 4.08Å; T118-L120 HydrophobicContact CG2-CD2 3.95Å; T118-L120 HydrophobicContact CG2-CG 4.35Å; T118-L120 PolarHBondContact O-N 3.1Å; L120-H126 HydrophobicContact CD2-CB 3.35Å; L120-H126 VanDerWaalsContact CD2-CG 3.42Å; L120-I128 HydrophobicContact CD1-CD1 4.16Å; L120-V143 HydrophobicContact CD2-CG1 3.91Å |
| 121 | A | 88.9 | Confident | 86.2 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 16.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | T65 R66 K96 D119 G123 | T65-A121 CarbonylContact O-C 3.59Å; T65-A121 VanDerWaalsContact O-C 3.27Å; T65-A121 WeakPolarHBondContact O-CA 3.34Å; R66-A121 WeakPolarHBondContact CA-O 3.4Å; K96-A121 HydrophobicContact CD-CB 4.44Å; K96-A121 HydrophobicContact CG-CB 4.07Å; D119-A121 PolarHBondContact O-N 2.96Å; D119-A121 PolarHBondContact OD1-N 2.85Å; A121-G123 VanDerWaalsContact C-N 3.32Å |
| 122 | D | 86.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 33.2 Ų | 33.2 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -80.9 | -8.3 | 180 | 82.4 | -16.4 | 0 | 0 | 0 | 114.4 | R66 D119 Q124 H126 | R66-D122 PolarHBondContact NH1-O 2.87Å; R66-D122 PolarHBondContact NH2-O 2.91Å; D119-D122 WeakPolarHBondContact O-CB 3.33Å; D119-D122 PolarHBondContact O-N 3.09Å; D122-Q124 VanDerWaalsContact OD1-CB 3.26Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.5Å; D122-Q124 PolarHBondContact OD1-N 2.67Å; D122-Q124 WeakPolarHBondContact OD2-CG 3.45Å; D122-H126 IonicContact OD1-CD2 3.66Å; D122-H126 IonicContact OD1-NE2 2.74Å; D122-H126 PolarHBondContact OD1-NE2 2.87Å; D122-H126 VanDerWaalsContact OD1-NE2 3.17Å; D122-H126 IonicContact OD2-NE2 3.26Å |
| 123 | G | 87.7 | Confident | 88.1 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 81.6 | 6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T65 A121 Y235 | T65-G123 VanDerWaalsContact O-CA 3.28Å; T65-G123 WeakPolarHBondContact O-CA 3.42Å; T65-G123 PolarHBondContact O-N 3.17Å; A121-G123 VanDerWaalsContact C-N 3.32Å; G123-Y235 PolarHBondContact O-OH 3.02Å |
| 124 | Q | 88 | Confident | 87.6 | Confident | 116 Ų | 116 | 32.3 Ų | 32.3 | 54% | 0.542 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -81.9 | -175.4 | 172.9 | -60.4 | -58 | -24.4 | 0 | 0 | 111.4 | K64 D122 | K64-Q124 VanDerWaalsContact CA-O 3.23Å; K64-Q124 WeakPolarHBondContact CA-O 3.2Å; K64-Q124 VanDerWaalsContact CB-O 3.3Å; K64-Q124 WeakPolarHBondContact CB-O 3.36Å; D122-Q124 VanDerWaalsContact OD1-CB 3.26Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.5Å; D122-Q124 PolarHBondContact OD1-N 2.67Å; D122-Q124 WeakPolarHBondContact OD2-CG 3.45Å |
| 125 | S | 88 | Confident | 87 | Confident | 67 Ų | 67 | 35.3 Ų | 35.3 | 47% | 0.469 | 19% | 0.187 | S | C | . | . | trans | -101.2 | 115.1 | 178.9 | -42.3 | 0 | 0 | 0 | 0 | 108.6 | K64 | K64-S125 WeakPolarHBondContact CD-OG 3.18Å; K64-S125 WeakPolarHBondContact CE-OG 3.3Å; K64-S125 PolarHBondContact NZ-OG 2.81Å | ||
| 126 | H | 93.3 | Very high | 86.3 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 158.2 | 174.8 | -63.5 | -80.9 | 0 | 0 | 0 | 109.6 | D62 L63 T118 L120 D122 D144 | D62-H126 CarbonylContact C-O 3.5Å; D62-H126 WeakPolarHBondContact CA-O 3.45Å; L63-H126 PolarHBondContact N-O 2.86Å; L63-H126 PolarHBondContact O-N 3.08Å; T118-H126 VanDerWaalsContact CG2-CE1 3.43Å; T118-H126 WeakPolarHBondContact CG2-CE1 3.36Å; T118-H126 WeakPolarHBondContact CG2-ND1 3.48Å; L120-H126 HydrophobicContact CD2-CB 3.35Å; L120-H126 VanDerWaalsContact CD2-CG 3.42Å; D122-H126 IonicContact OD1-CD2 3.66Å; D122-H126 IonicContact OD1-NE2 2.74Å; D122-H126 PolarHBondContact OD1-NE2 2.87Å; D122-H126 VanDerWaalsContact OD1-NE2 3.17Å; D122-H126 IonicContact OD2-NE2 3.26Å; H126-D144 VanDerWaalsContact CA-OD1 3.22Å; H126-D144 WeakPolarHBondContact CA-OD1 3.23Å; H126-D144 IonicContact CE1-OD2 3.63Å; H126-D144 IonicContact CG-OD2 3.82Å; H126-D144 IonicContact ND1-OD1 2.72Å; H126-D144 IonicContact ND1-OD2 3.97Å; H126-D144 PolarHBondContact ND1-OD2 2.78Å |
| 127 | Y | 92.6 | Very high | 86.3 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.7 | 173.7 | 73.5 | -102.6 | 0 | 0 | 0 | 111.9 | V61 D62 I129 V143 D144 D145 | V61-Y127 WeakPolarHBondContact O-CA 3.35Å; D62-Y127 WeakPolarHBondContact OD1-CB 3.49Å; Y127-I129 HydrophobicContact CD2-CD1 4.03Å; Y127-I129 HydrophobicContact CD2-CG1 3.97Å; Y127-I129 HydrophobicContact CE2-CD1 3.8Å; Y127-I129 HydrophobicContact CE2-CG1 4.21Å; Y127-V143 WeakPolarHBondContact O-CA 3.49Å; Y127-D144 HydrophobicContact CE1-CB 4.42Å; Y127-D144 WeakPolarHBondContact CE2-O 3.47Å; Y127-D144 PolarHBondContact N-OD1 2.87Å; Y127-D144 PolarHBondContact O-N 2.83Å; Y127-D144 PolarHBondContact OH-O 3.49Å; Y127-D145 PolarHBondContact OH-OD1 2.86Å |
| 128 | I | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.3 | -179.1 | -56.5 | 165.3 | 0 | 0 | 0 | 107 | R60 V61 L63 I72 V91 L98 L120 V130 L141 R142 | R60-I128 CarbonylContact C-O 3.6Å; R60-I128 VanDerWaalsContact CA-O 3.31Å; R60-I128 WeakPolarHBondContact CA-O 3.31Å; V61-I128 PolarHBondContact N-O 2.95Å; V61-I128 PolarHBondContact O-N 2.81Å; L63-I128 HydrophobicContact CD2-CD1 4.09Å; I72-I128 HydrophobicContact CD1-CD1 4.07Å; V91-I128 HydrophobicContact CG1-CD1 4.26Å; V91-I128 HydrophobicContact CG1-CG2 4.38Å; L98-I128 HydrophobicContact CD1-CD1 3.95Å; L98-I128 HydrophobicContact CD2-CD1 3.95Å; L98-I128 HydrophobicContact CD2-CG1 4.16Å; L98-I128 HydrophobicContact CD2-CG2 4.05Å; L120-I128 HydrophobicContact CD1-CD1 4.16Å; I128-V130 HydrophobicContact CG2-CG2 4.34Å; I128-L141 HydrophobicContact CG2-CD1 3.71Å; I128-R142 CarbonylContact C-O 3.52Å; I128-R142 WeakPolarHBondContact CA-O 3.45Å |
| 129 | I | 92.3 | Very high | 86.6 | Confident | 45 Ų | 45 | 36.9 Ų | 36.9 | 23% | 0.231 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.6 | 173.6 | -58.1 | 173.5 | 0 | 0 | 0 | 108.1 | Y59 R60 Y127 R142 | Y59-I129 WeakPolarHBondContact O-CA 3.44Å; R60-I129 HydrophobicContact CB-CG1 4.23Å; R60-I129 HydrophobicContact CG-CG1 4.17Å; Y127-I129 HydrophobicContact CD2-CD1 4.03Å; Y127-I129 HydrophobicContact CD2-CG1 3.97Å; Y127-I129 HydrophobicContact CE2-CD1 3.8Å; Y127-I129 HydrophobicContact CE2-CG1 4.21Å; I129-R142 HydrophobicContact CB-CB 4.36Å; I129-R142 PolarHBondContact N-O 2.72Å; I129-R142 PolarHBondContact O-N 2.77Å |
| 130 | V | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.2 | 171 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | G58 Y59 V91 L100 I128 I132 V139 S140 L141 | G58-V130 CarbonylContact C-O 3.53Å; G58-V130 WeakPolarHBondContact CA-O 3.46Å; Y59-V130 HydrophobicContact CD1-CB 4.4Å; Y59-V130 HydrophobicContact CD2-CB 4.13Å; Y59-V130 HydrophobicContact CD2-CG2 4.43Å; Y59-V130 HydrophobicContact CE1-CB 3.88Å; Y59-V130 HydrophobicContact CE1-CG1 3.89Å; Y59-V130 HydrophobicContact CE2-CB 3.58Å; Y59-V130 HydrophobicContact CE2-CG1 4.33Å; Y59-V130 HydrophobicContact CE2-CG2 3.63Å; Y59-V130 VanDerWaalsContact CZ-CB 3.45Å; Y59-V130 PolarHBondContact N-O 2.82Å; Y59-V130 PolarHBondContact O-N 2.85Å; V91-V130 HydrophobicContact CG2-CG2 3.94Å; L100-V130 HydrophobicContact CD1-CG1 4.14Å; L100-V130 HydrophobicContact CD1-CG2 4.31Å; L100-V130 HydrophobicContact CD2-CB 4.32Å; L100-V130 HydrophobicContact CD2-CG1 3.52Å; L100-V130 HydrophobicContact CD2-CG2 3.88Å; I128-V130 HydrophobicContact CG2-CG2 4.34Å; V130-I132 HydrophobicContact CG1-CG1 4.41Å; V130-V139 HydrophobicContact CG1-CG1 4.49Å; V130-S140 WeakPolarHBondContact CA-O 3.33Å; V130-L141 HydrophobicContact CG2-CD1 3.91Å |
| 131 | T | 90.4 | Very high | 87 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142 | 175.4 | -43 | 0 | 0 | 0 | 0 | 109.5 | D56 F57 V139 S140 | D56-T131 HydrophobicContact CB-CG2 4.02Å; F57-T131 CarbonylContact O-C 3.4Å; F57-T131 WeakPolarHBondContact O-CA 3.25Å; T131-V139 CarbonylContact O-C 3.45Å; T131-V139 WeakPolarHBondContact O-CA 3Å; T131-S140 VanDerWaalsContact CB-OG 3.26Å; T131-S140 WeakPolarHBondContact CB-OG 3.4Å; T131-S140 PolarHBondContact N-O 2.82Å; T131-S140 PolarHBondContact O-N 2.79Å; T131-S140 PolarHBondContact OG1-OG 2.82Å |
| 132 | I | 87.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 117.9 | 178.2 | -49.3 | -176.7 | 0 | 0 | 0 | 107.7 | W51 F57 F87 A89 V130 L137 R138 V139 | W51-I132 HydrophobicContact CH2-CB 4.36Å; W51-I132 HydrophobicContact CH2-CG2 4.04Å; W51-I132 HydrophobicContact CZ3-CG2 4.47Å; F57-I132 HydrophobicContact CD1-CB 4.49Å; F57-I132 HydrophobicContact CD1-CD1 4.3Å; F57-I132 HydrophobicContact CD1-CG1 4.45Å; F57-I132 PolarHBondContact N-O 2.8Å; F57-I132 PolarHBondContact O-N 2.85Å; F87-I132 HydrophobicContact CE2-CD1 3.82Å; F87-I132 HydrophobicContact CZ-CD1 3.99Å; A89-I132 HydrophobicContact CB-CD1 4.43Å; V130-I132 HydrophobicContact CG1-CG1 4.41Å; I132-L137 HydrophobicContact CG2-CD1 4.17Å; I132-R138 WeakPolarHBondContact CA-O 3.36Å; I132-V139 HydrophobicContact CG1-CG2 4.35Å; I132-V139 HydrophobicContact CG2-CG2 4.25Å |
| 133 | Q | 84.7 | Confident | 87.6 | Confident | 48 Ų | 48 | 36.4 Ų | 36.4 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141 | 176.4 | -43.3 | -170.8 | -57 | 0 | 0 | 108.9 | D56 L137 R138 | D56-Q133 VanDerWaalsContact CG-NE2 3.34Å; D56-Q133 VanDerWaalsContact OD1-CG 3.25Å; D56-Q133 WeakPolarHBondContact OD1-CG 3.34Å; D56-Q133 PolarHBondContact OD1-NE2 2.84Å; D56-Q133 PolarHBondContact OD2-NE2 2.69Å; Q133-L137 VanDerWaalsContact O-CA 3.31Å; Q133-L137 WeakPolarHBondContact O-CA 3.37Å; Q133-L137 WeakPolarHBondContact O-CD1 3.42Å; Q133-R138 HydrophobicContact CB-CB 4.23Å; Q133-R138 HydrophobicContact CG-CB 4.37Å; Q133-R138 PolarHBondContact N-O 2.77Å; Q133-R138 PolarHBondContact O-N 3.2Å |
| 134 | C | 78.5 | Confident | 87.8 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -31 | -175.3 | -82.7 | 0 | 0 | 0 | 0 | 115.4 | W51 C53 P136 L137 | W51-C134 WeakPolarHBondContact CH2-SG 3.46Å; C53-C134 VanDerWaalsContact CA-SG 3.55Å; C53-C134 HydrophobicContact CB-CB 4.31Å; C53-C134 WeakPolarHBondContact CB-SG 3.25Å; C53-C134 WeakPolarHBondContact SG-CB 3.34Å; C53-C134 CovalentContact SG-SG 2.03Å; C53-C134 PolarHBondContact SG-SG 2.84Å; C134-P136 CarbonylContact C-O 3.6Å; C134-P136 CarbonylContact O-C 3.59Å; C134-L137 PolarHBondContact O-N 2.73Å |
| 135 | W | 72.6 | Confident | 87.8 | Confident | 143 Ų | 143 | 37.8 Ų | 37.8 | 54% | 0.542 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.9 | 104.9 | -168.6 | -78 | 95 | 0 | 0 | 0 | 113.8 | S156 I157 | W135-S156 WeakPolarHBondContact CH2-OG 3.41Å; W135-I157 PolarHBondContact NE1-O 2.93Å |
| 136 | P | 75.1 | Confident | 87.8 | Confident | 75 Ų | 75 | 37.5 Ų | 37.5 | 49% | 0.487 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -61.1 | 162.8 | -14.3 | 31 | -37.4 | 0 | 0 | 0 | 111 | C134 R138 F152 | C134-P136 CarbonylContact C-O 3.6Å; C134-P136 CarbonylContact O-C 3.59Å; P136-R138 VanDerWaalsContact C-N 3.34Å; P136-R138 PolarHBondContact O-N 2.69Å; P136-F152 HydrophobicContact CB-CD1 4.32Å; P136-F152 HydrophobicContact CG-CD1 3.87Å; P136-F152 HydrophobicContact CG-CE1 3.75Å |
| 137 | L | 78.6 | Confident | 87.4 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 94.4 | 177 | -174.2 | 61.2 | 0 | 0 | 0 | 109.9 | L104 I132 Q133 C134 L153 I157 | L104-L137 HydrophobicContact CD1-CD2 4.32Å; L104-L137 HydrophobicContact CD2-CD2 3.91Å; I132-L137 HydrophobicContact CG2-CD1 4.17Å; Q133-L137 VanDerWaalsContact O-CA 3.31Å; Q133-L137 WeakPolarHBondContact O-CA 3.37Å; Q133-L137 WeakPolarHBondContact O-CD1 3.42Å; C134-L137 PolarHBondContact O-N 2.73Å; L137-L153 HydrophobicContact CB-CB 4.24Å; L137-L153 HydrophobicContact CD2-CB 3.72Å; L137-L153 HydrophobicContact CD2-CD1 3.95Å; L137-L153 HydrophobicContact CD2-CG 4.43Å; L137-L153 HydrophobicContact CG-CB 3.87Å; L137-L153 HydrophobicContact CG-CD1 3.96Å; L137-L153 PolarHBondContact O-N 3.49Å; L137-I157 HydrophobicContact CD1-CD1 3.72Å; L137-I157 HydrophobicContact CD1-CG1 4.24Å; L137-I157 HydrophobicContact CD2-CD1 4.39Å; L137-I157 HydrophobicContact CD2-CG1 4.36Å |
| 138 | R | 85.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 25% | 0.249 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.3 | -176.9 | -166.2 | -160.6 | -55 | -145.4 | -3.8 | 109.1 | I132 Q133 P136 E150 F152 | I132-R138 WeakPolarHBondContact CA-O 3.36Å; Q133-R138 HydrophobicContact CB-CB 4.23Å; Q133-R138 HydrophobicContact CG-CB 4.37Å; Q133-R138 PolarHBondContact N-O 2.77Å; Q133-R138 PolarHBondContact O-N 3.2Å; P136-R138 VanDerWaalsContact C-N 3.34Å; P136-R138 PolarHBondContact O-N 2.69Å; R138-E150 WeakPolarHBondContact CD-OE1 3.29Å; R138-E150 IonicContact CZ-OE1 3.5Å; R138-E150 IonicContact CZ-OE2 3.95Å; R138-E150 IonicContact NE-OE1 2.67Å; R138-E150 IonicContact NE-OE2 3.65Å; R138-E150 IonicContact NH1-OE1 3.41Å; R138-E150 PolarHBondContact NH1-OE1 2.77Å; R138-E150 IonicContact NH1-OE2 2.72Å; R138-E150 PolarHBondContact NH1-OE2 3.3Å; R138-F152 HydrophobicContact CB-CD1 4.22Å; R138-F152 HydrophobicContact CB-CE1 4.14Å; R138-F152 HydrophobicContact CG-CD1 4.13Å; R138-F152 HydrophobicContact CG-CE1 3.84Å; R138-F152 HydrophobicContact CG-CZ 4.22Å |
| 139 | V | 88.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.2 | 172.8 | 171.1 | 0 | 0 | 0 | 0 | 108.4 | L100 I102 L113 V130 T131 I132 E150 A151 L153 | L100-V139 HydrophobicContact CD2-CG1 3.42Å; L100-V139 VanDerWaalsContact CD2-CG1 3.42Å; L100-V139 HydrophobicContact CG-CG1 4.35Å; I102-V139 HydrophobicContact CD1-CB 3.89Å; I102-V139 HydrophobicContact CD1-CG1 3.49Å; I102-V139 VanDerWaalsContact CD1-CG1 3.49Å; I102-V139 HydrophobicContact CD1-CG2 3.27Å; L113-V139 HydrophobicContact CD1-CG1 4.35Å; V130-V139 HydrophobicContact CG1-CG1 4.49Å; T131-V139 CarbonylContact O-C 3.45Å; T131-V139 WeakPolarHBondContact O-CA 3Å; I132-V139 HydrophobicContact CG1-CG2 4.35Å; I132-V139 HydrophobicContact CG2-CG2 4.25Å; V139-E150 CarbonylContact O-C 3.58Å; V139-E150 WeakPolarHBondContact O-CA 3.39Å; V139-A151 PolarHBondContact N-O 2.85Å; V139-A151 PolarHBondContact O-N 3.1Å; V139-L153 HydrophobicContact CG2-CD1 3.65Å |
| 140 | S | 90.5 | Very high | 86.9 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 151.5 | 170 | 76.5 | 0 | 0 | 0 | 0 | 112.1 | V130 T131 E148 Q149 | V130-S140 WeakPolarHBondContact CA-O 3.33Å; T131-S140 VanDerWaalsContact CB-OG 3.26Å; T131-S140 WeakPolarHBondContact CB-OG 3.4Å; T131-S140 PolarHBondContact N-O 2.82Å; T131-S140 PolarHBondContact O-N 2.79Å; T131-S140 PolarHBondContact OG1-OG 2.82Å; S140-E148 WeakPolarHBondContact CB-OE1 3.31Å; S140-E148 PolarHBondContact OG-OE1 2.72Å; S140-Q149 CarbonylContact C-O 3.43Å; S140-Q149 WeakPolarHBondContact CA-O 3.49Å |
| 141 | L | 93.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.1 | 173.4 | 174.1 | 66 | 0 | 0 | 0 | 108.6 | L98 L100 L113 H115 I128 V130 V143 Q149 | L98-L141 HydrophobicContact CD2-CD1 4.11Å; L98-L141 HydrophobicContact CD2-CD2 4.33Å; L100-L141 HydrophobicContact CB-CD1 4.3Å; L100-L141 HydrophobicContact CB-CD2 4.04Å; L100-L141 HydrophobicContact CD2-CB 4.01Å; L100-L141 HydrophobicContact CD2-CD1 4.43Å; L113-L141 HydrophobicContact CB-CB 4.21Å; L113-L141 HydrophobicContact CB-CD2 3.98Å; L113-L141 HydrophobicContact CD1-CB 3.75Å; H115-L141 HydrophobicContact CB-CD2 4.18Å; I128-L141 HydrophobicContact CG2-CD1 3.71Å; V130-L141 HydrophobicContact CG2-CD1 3.91Å; L141-V143 HydrophobicContact CD1-CG2 4.43Å; L141-Q149 PolarHBondContact N-O 3.4Å; L141-Q149 PolarHBondContact O-N 3.45Å |
| 142 | R | 93.3 | Very high | 86.3 | Confident | 80 Ų | 80 | 57.3 Ų | 57.3 | 30% | 0.302 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.8 | 171.1 | -165 | 174 | -175.5 | -161.2 | -8.3 | 110 | I128 I129 D145 E146 E148 | I128-R142 CarbonylContact C-O 3.52Å; I128-R142 WeakPolarHBondContact CA-O 3.45Å; I129-R142 HydrophobicContact CB-CB 4.36Å; I129-R142 PolarHBondContact N-O 2.72Å; I129-R142 PolarHBondContact O-N 2.77Å; R142-D145 PolarHBondContact NH2-O 2.03Å; R142-E146 WeakPolarHBondContact CG-O 3.35Å; R142-E146 PolarHBondContact NE-O 3.38Å; R142-E148 HydrophobicContact CB-CB 4.33Å; R142-E148 HydrophobicContact CB-CG 4.27Å; R142-E148 HydrophobicContact CG-CB 4.38Å |
| 143 | V | 93.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.1 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | L98 H115 L120 Y127 L141 E146 | L98-V143 HydrophobicContact CD2-CG2 3.55Å; H115-V143 HydrophobicContact CB-CG2 4.14Å; L120-V143 HydrophobicContact CD2-CG1 3.91Å; Y127-V143 WeakPolarHBondContact O-CA 3.49Å; L141-V143 HydrophobicContact CD1-CG2 4.43Å; V143-E146 WeakPolarHBondContact O-CB 3.08Å; V143-E146 PolarHBondContact O-N 2.92Å; V143-E146 VanDerWaalsContact O-N 3.15Å |
| 144 | D | 92.3 | Very high | 85 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | -138.5 | -171 | -58.8 | -37.4 | 0 | 0 | 0 | 111.7 | H126 Y127 E146 | H126-D144 VanDerWaalsContact CA-OD1 3.22Å; H126-D144 WeakPolarHBondContact CA-OD1 3.23Å; H126-D144 IonicContact CE1-OD2 3.63Å; H126-D144 IonicContact CG-OD2 3.82Å; H126-D144 IonicContact ND1-OD1 2.72Å; H126-D144 IonicContact ND1-OD2 3.97Å; H126-D144 PolarHBondContact ND1-OD2 2.78Å; Y127-D144 HydrophobicContact CE1-CB 4.42Å; Y127-D144 WeakPolarHBondContact CE2-O 3.47Å; Y127-D144 PolarHBondContact N-OD1 2.87Å; Y127-D144 PolarHBondContact O-N 2.83Å; Y127-D144 PolarHBondContact OH-O 3.49Å; D144-E146 VanDerWaalsContact C-N 3.29Å |
| 145 | D | 87.7 | Confident | 84.3 | Confident | 130 Ų | 130 | 60.5 Ų | 60.5 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.2 | 178.7 | -69.2 | -53.4 | 0 | 0 | 0 | 113.7 | Y127 R142 | Y127-D145 PolarHBondContact OH-OD1 2.86Å; R142-D145 PolarHBondContact NH2-O 2.03Å |
| 146 | E | 88 | Confident | 83.8 | Confident | 61 Ų | 61 | 57 Ų | 57 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -63.6 | 168.4 | -177.6 | -66.7 | -166.6 | -144.5 | 0 | 0 | 113.6 | H115 S117 T118 R142 V143 D144 | H115-E146 VanDerWaalsContact CE1-CD 3.43Å; H115-E146 IonicContact CE1-OE1 2.58Å; H115-E146 PolarHBondContact CE1-OE1 3.23Å; H115-E146 IonicContact CE1-OE2 2.69Å; H115-E146 PolarHBondContact CE1-OE2 3.37Å; H115-E146 VanDerWaalsContact CE1-OE2 3.22Å; H115-E146 IonicContact ND1-OE2 3.01Å; H115-E146 IonicContact NE2-OE1 3.62Å; S117-E146 WeakPolarHBondContact CB-OE1 3.5Å; S117-E146 WeakPolarHBondContact CB-OE2 3.18Å; S117-E146 PolarHBondContact OG-OE1 3.37Å; S117-E146 PolarHBondContact OG-OE2 2.99Å; T118-E146 PolarHBondContact OG1-OE1 2.62Å; R142-E146 WeakPolarHBondContact CG-O 3.35Å; R142-E146 PolarHBondContact NE-O 3.38Å; V143-E146 WeakPolarHBondContact O-CB 3.08Å; V143-E146 PolarHBondContact O-N 2.92Å; V143-E146 VanDerWaalsContact O-N 3.15Å; D144-E146 VanDerWaalsContact C-N 3.29Å |
| 147 | E | 86.4 | Confident | 83.4 | Confident | 178 Ų | 178 | 53.8 Ų | 53.8 | 83% | 0.832 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -62 | 136.1 | 178.6 | -170 | 172.4 | -167.7 | 0 | 0 | 111.6 | Q149 | E147-Q149 PolarHBondContact O-N 2.93Š|
| 148 | E | 87.4 | Confident | 82.7 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 120.1 | -177.2 | -176.7 | 161.5 | -159.4 | 0 | 0 | 110.6 | S140 R142 | S140-E148 WeakPolarHBondContact CB-OE1 3.31Å; S140-E148 PolarHBondContact OG-OE1 2.72Å; R142-E148 HydrophobicContact CB-CB 4.33Å; R142-E148 HydrophobicContact CB-CG 4.27Å; R142-E148 HydrophobicContact CG-CB 4.38Å |
| 149 | Q | 91.4 | Very high | 81.3 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130 | 176.5 | -57.4 | -175.7 | 1.6 | 0 | 0 | 109.4 | L113 R114 S140 L141 E147 | L113-Q149 HydrophobicContact CD1-CB 4.33Å; L113-Q149 WeakPolarHBondContact CD1-O 3.17Å; L113-Q149 HydrophobicContact CD2-CB 4.08Å; R114-Q149 PolarHBondContact O-NE2 2.9Å; R114-Q149 PolarHBondContact O-OE1 3.47Å; S140-Q149 CarbonylContact C-O 3.43Å; S140-Q149 WeakPolarHBondContact CA-O 3.49Å; L141-Q149 PolarHBondContact N-O 3.4Å; L141-Q149 PolarHBondContact O-N 3.45Å; E147-Q149 PolarHBondContact O-N 2.93Å |
| 150 | E | 89.4 | Confident | 79.9 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.8 | 176 | -61.6 | -165 | 140.4 | 0 | 0 | 112.3 | R138 V139 | R138-E150 WeakPolarHBondContact CD-OE1 3.29Å; R138-E150 IonicContact CZ-OE1 3.5Å; R138-E150 IonicContact CZ-OE2 3.95Å; R138-E150 IonicContact NE-OE1 2.67Å; R138-E150 IonicContact NE-OE2 3.65Å; R138-E150 IonicContact NH1-OE1 3.41Å; R138-E150 PolarHBondContact NH1-OE1 2.77Å; R138-E150 IonicContact NH1-OE2 2.72Å; R138-E150 PolarHBondContact NH1-OE2 3.3Å; V139-E150 CarbonylContact O-C 3.58Å; V139-E150 WeakPolarHBondContact O-CA 3.39Å |
| 151 | A | 86.6 | Confident | 78.8 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 15% | 0.149 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V111 L113 V139 | V111-A151 HydrophobicContact CG1-CB 3.52Å; L113-A151 HydrophobicContact CD1-CB 4.37Å; L113-A151 HydrophobicContact CD2-CB 3.8Å; L113-A151 HydrophobicContact CG-CB 4.07Å; V139-A151 PolarHBondContact N-O 2.85Å; V139-A151 PolarHBondContact O-N 3.1Å |
| 152 | F | 83 | Confident | 78.4 | Confident | 118 Ų | 118 | 69.8 Ų | 69.8 | 52% | 0.518 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.3 | 174.4 | -63.3 | -86.6 | 0 | 0 | 0 | 109.8 | P136 R138 | P136-F152 HydrophobicContact CB-CD1 4.32Å; P136-F152 HydrophobicContact CG-CD1 3.87Å; P136-F152 HydrophobicContact CG-CE1 3.75Å; R138-F152 HydrophobicContact CB-CD1 4.22Å; R138-F152 HydrophobicContact CB-CE1 4.14Å; R138-F152 HydrophobicContact CG-CD1 4.13Å; R138-F152 HydrophobicContact CG-CE1 3.84Å; R138-F152 HydrophobicContact CG-CZ 4.22Å |
| 153 | L | 75 | Confident | 78.1 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -93 | 140.5 | 177.6 | -83.8 | 149.2 | 0 | 0 | 0 | 110.7 | I102 L104 V111 L137 V139 G155 | I102-L153 HydrophobicContact CB-CD1 4.36Å; I102-L153 HydrophobicContact CD1-CD1 4.45Å; I102-L153 HydrophobicContact CG2-CD1 3.78Å; I102-L153 HydrophobicContact CG2-CD2 4.24Å; L104-L153 HydrophobicContact CD1-CB 4.27Å; L104-L153 HydrophobicContact CD1-CD2 3.85Å; L104-L153 HydrophobicContact CG-CD2 4.26Å; V111-L153 HydrophobicContact CB-CD2 3.74Å; V111-L153 HydrophobicContact CB-CG 4.18Å; V111-L153 HydrophobicContact CG2-CD2 3.41Å; V111-L153 VanDerWaalsContact CG2-CD2 3.41Å; V111-L153 HydrophobicContact CG2-CG 3.88Å; L137-L153 HydrophobicContact CB-CB 4.24Å; L137-L153 HydrophobicContact CD2-CB 3.72Å; L137-L153 HydrophobicContact CD2-CD1 3.95Å; L137-L153 HydrophobicContact CD2-CG 4.43Å; L137-L153 HydrophobicContact CG-CB 3.87Å; L137-L153 HydrophobicContact CG-CD1 3.96Å; L137-L153 PolarHBondContact O-N 3.49Å; V139-L153 HydrophobicContact CG2-CD1 3.65Å; L153-G155 PolarHBondContact O-N 2.95Å |
| 154 | P | 68.4 | Low | 77.9 | Confident | 61 Ų | 61 | 68.4 Ų | 68.4 | 40% | 0.396 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -72.8 | 117.1 | 172 | 28.3 | -31.2 | 0 | 0 | 0 | 110.3 | L104 N109 | L104-P154 WeakPolarHBondContact CD1-O 3.25Å; N109-P154 HydrophobicContact CB-CG 4.29Å; N109-P154 WeakPolarHBondContact ND2-CG 3.09Å |
| 155 | G | 64.9 | Low | 77.8 | Confident | 49 Ų | 49 | 67 Ų | 67 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 128.7 | 167.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L153 | L153-G155 PolarHBondContact O-N 2.95Š|
| 156 | S | 62.8 | Low | 77.8 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | trans | -130.3 | 143.7 | 175.1 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | W135 | W135-S156 WeakPolarHBondContact CH2-OG 3.41Š| ||
| 157 | I | 65.3 | Low | 77.8 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 5% | 0.046 | 34% | 0.335 | C | S | . | . | trans | -95 | 121.5 | 170.4 | -58.4 | 177.7 | 0 | 0 | 0 | 106.7 | C53 I86 F87 W135 L137 A159 L163 | C53-I157 VanDerWaalsContact SG-CG2 3.55Å; I86-I157 HydrophobicContact CG2-CD1 4.36Å; I86-I157 HydrophobicContact CG2-CG1 4.34Å; F87-I157 HydrophobicContact CD1-CD1 3.96Å; F87-I157 HydrophobicContact CE1-CD1 3.87Å; W135-I157 PolarHBondContact NE1-O 2.93Å; L137-I157 HydrophobicContact CD1-CD1 3.72Å; L137-I157 HydrophobicContact CD1-CG1 4.24Å; L137-I157 HydrophobicContact CD2-CD1 4.39Å; L137-I157 HydrophobicContact CD2-CG1 4.36Å; I157-A159 PolarHBondContact O-N 3.35Å; I157-L163 HydrophobicContact CD1-CD1 4.26Å; I157-L163 HydrophobicContact CG2-CD1 4.06Å | ||
| 158 | D | 63.2 | Low | 78 | Confident | 117 Ų | 117 | 56 Ų | 56 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | trans | -58 | 125.2 | -177 | -73.4 | -37 | 0 | 0 | 0 | 111 | L160 S161 | D158-L160 PolarHBondContact O-N 2.79Å; D158-S161 WeakPolarHBondContact O-CB 3.26Å; D158-S161 PolarHBondContact O-N 2.79Å; D158-S161 PolarHBondContact O-OG 3.19Å | ||
| 159 | A | 56.7 | Low | 78 | Confident | 52 Ų | 52 | 52 Ų | 52 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -3.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I157 | I157-A159 PolarHBondContact O-N 3.35Š|
| 160 | L | 58.5 | Low | 77.4 | Confident | 179 Ų | 179 | 49.2 Ų | 49.2 | 94% | 0.937 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -1.2 | 175.2 | -68.2 | 168.8 | 0 | 0 | 0 | 112.9 | D158 | D158-L160 PolarHBondContact O-N 2.79Š|
| 161 | S | 68 | Low | 76.5 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | trans | -88.6 | 113.8 | 179.5 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | D158 L163 | D158-S161 WeakPolarHBondContact O-CB 3.26Å; D158-S161 PolarHBondContact O-N 2.79Å; D158-S161 PolarHBondContact O-OG 3.19Å; S161-L163 PolarHBondContact O-N 2.7Å | ||
| 162 | T | 84.5 | Confident | 75.1 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 121.2 | 164.6 | -57 | 0 | 0 | 0 | 0 | 108.5 | L50 N52 A80 | L50-T162 HydrophobicContact CB-CG2 4.08Å; L50-T162 HydrophobicContact CD2-CG2 4.08Å; N52-T162 WeakPolarHBondContact OD1-CB 3.39Å; N52-T162 VanDerWaalsContact OD1-CG2 3.26Å; N52-T162 WeakPolarHBondContact OD1-CG2 3.39Å; N52-T162 PolarHBondContact OD1-OG1 2.77Å; A80-T162 HydrophobicContact CB-CG2 3.91Å; A80-T162 WeakPolarHBondContact CB-O 3.33Å; A80-T162 PolarHBondContact N-O 2.75Å |
| 163 | L | 87.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133.6 | 176.8 | -61.5 | -175.3 | 0 | 0 | 0 | 111 | L50 W51 A78 I86 F87 I157 S161 L165 | L50-L163 CarbonylContact C-O 3.58Å; L50-L163 WeakPolarHBondContact CA-O 3.26Å; W51-L163 HydrophobicContact CE3-CB 4.48Å; W51-L163 HydrophobicContact CE3-CD1 3.81Å; W51-L163 HydrophobicContact CZ3-CD1 3.95Å; W51-L163 PolarHBondContact N-O 2.87Å; W51-L163 PolarHBondContact O-N 2.81Å; A78-L163 CarbonylContact O-C 3.45Å; A78-L163 WeakPolarHBondContact O-CA 3.42Å; I86-L163 HydrophobicContact CB-CD2 4.45Å; I86-L163 HydrophobicContact CG1-CD2 3.76Å; F87-L163 HydrophobicContact CE1-CD1 4.1Å; I157-L163 HydrophobicContact CD1-CD1 4.26Å; I157-L163 HydrophobicContact CG2-CD1 4.06Å; S161-L163 PolarHBondContact O-N 2.7Å; L163-L165 HydrophobicContact CB-CD2 4.14Å |
| 164 | Q | 89.5 | Confident | 72 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116 | 165.2 | -167.8 | -177.7 | 39.1 | 0 | 0 | 109.5 | P48 F49 L50 A78 A80 | P48-Q164 HydrophobicContact CB-CG 3.81Å; F49-Q164 CarbonylContact O-C 3.55Å; F49-Q164 WeakPolarHBondContact O-CA 3.23Å; L50-Q164 HydrophobicContact CD2-CB 4.09Å; L50-Q164 HydrophobicContact CD2-CG 4.22Å; A78-Q164 PolarHBondContact N-O 2.89Å; A78-Q164 PolarHBondContact O-N 2.86Å; A80-Q164 HydrophobicContact CB-CB 4.19Å |
| 165 | L | 89.2 | Confident | 70.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.9 | 179.1 | -55.7 | -171.3 | 0 | 0 | 0 | 110.1 | P48 F49 W51 F57 V75 Q76 A77 F87 L163 | P48-L165 WeakPolarHBondContact CA-O 3.44Å; F49-L165 HydrophobicContact CD1-CD1 4.19Å; F49-L165 PolarHBondContact N-O 2.99Å; F49-L165 PolarHBondContact O-N 3.41Å; W51-L165 HydrophobicContact CB-CD1 3.87Å; W51-L165 HydrophobicContact CB-CG 4.2Å; W51-L165 HydrophobicContact CD2-CD1 4.41Å; W51-L165 HydrophobicContact CE3-CD1 4.03Å; W51-L165 HydrophobicContact CE3-CD2 4.38Å; W51-L165 HydrophobicContact CG-CD1 4.39Å; F57-L165 HydrophobicContact CD1-CD1 3.88Å; F57-L165 HydrophobicContact CD2-CD1 3.55Å; F57-L165 HydrophobicContact CE1-CD1 3.73Å; F57-L165 HydrophobicContact CE2-CD1 3.38Å; F57-L165 HydrophobicContact CG-CD1 3.8Å; F57-L165 HydrophobicContact CZ-CD1 3.49Å; F57-L165 VanDerWaalsContact CZ-CD1 3.49Å; V75-L165 HydrophobicContact CG1-CB 4.27Å; V75-L165 HydrophobicContact CG1-CD2 4.44Å; Q76-L165 WeakPolarHBondContact O-CA 3.15Å; A77-L165 HydrophobicContact CB-CD2 3.45Å; A77-L165 VanDerWaalsContact CB-CD2 3.45Å; F87-L165 HydrophobicContact CZ-CD2 4.49Å; L163-L165 HydrophobicContact CB-CD2 4.14Å |
| 166 | K | 88.3 | Confident | 69.5 | Low | 59 Ų | 59 | 51.9 Ų | 51.9 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107 | 176.5 | -65.3 | 165.3 | -173.5 | 163.5 | 0 | 107.9 | P48 Q76 D83 | P48-K166 HydrophobicContact CB-CG 4.25Å; P48-K166 HydrophobicContact CG-CG 4.31Å; Q76-K166 HydrophobicContact CB-CB 4.37Å; Q76-K166 PolarHBondContact N-O 2.82Å; Q76-K166 PolarHBondContact O-N 3.16Å; D83-K166 IonicContact OD1-NZ 2.86Å; D83-K166 PolarHBondContact OD1-NZ 3.18Å; D83-K166 IonicContact OD2-NZ 2.72Å; D83-K166 PolarHBondContact OD2-NZ 2.92Å |
| 167 | V | 88.5 | Confident | 68.3 | Low | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.6 | -174.6 | -176.2 | 0 | 0 | 0 | 0 | 111 | F46 L73 V75 I190 I192 | F46-V167 HydrophobicContact CB-CB 4.43Å; F46-V167 HydrophobicContact CD2-CB 4.41Å; F46-V167 HydrophobicContact CD2-CG1 4.13Å; F46-V167 PolarHBondContact N-O 3.01Å; L73-V167 HydrophobicContact CD1-CG1 3.93Å; L73-V167 HydrophobicContact CD2-CG1 4.15Å; L73-V167 HydrophobicContact CG-CG1 4.22Å; V75-V167 HydrophobicContact CG1-CG2 4.26Å; V75-V167 HydrophobicContact CG2-CG1 4.37Å; V75-V167 HydrophobicContact CG2-CG2 4.14Å; V167-I190 HydrophobicContact CG1-CD1 3.81Å; V167-I192 HydrophobicContact CB-CD1 4.42Å; V167-I192 HydrophobicContact CG1-CD1 4.45Å; V167-I192 HydrophobicContact CG2-CD1 3.81Å |
| 168 | R | 89.1 | Confident | 67.1 | Low | 74 Ų | 74 | 56.4 Ų | 56.4 | 28% | 0.279 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 122.8 | -179.4 | -170.1 | 172.5 | 179.4 | -170.5 | 0.2 | 112.2 | Y43 V44 T45 G74 F171 | Y43-R168 VanDerWaalsContact CD2-NE 3.27Å; Y43-R168 VanDerWaalsContact CD2-NH2 3.27Å; V44-R168 CarbonylContact O-C 3.48Å; V44-R168 VanDerWaalsContact O-CA 3.25Å; V44-R168 WeakPolarHBondContact O-CA 3.37Å; V44-R168 WeakPolarHBondContact O-CG 3.34Å; T45-R168 WeakPolarHBondContact OG1-CD 3.36Å; G74-R168 PolarHBondContact N-O 2.92Å; G74-R168 PolarHBondContact O-N 2.89Å; R168-F171 HydrophobicContact CG-CB 4.06Å; R168-F171 WeakPolarHBondContact O-CD1 3.43Å |
| 169 | A | 89.2 | Confident | 66 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 150.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y43 V44 F46 I72 L73 F171 F188 | Y43-A169 WeakPolarHBondContact CA-O 3.43Å; Y43-A169 VanDerWaalsContact CB-O 3.31Å; Y43-A169 WeakPolarHBondContact CB-O 3.37Å; V44-A169 HydrophobicContact CB-CB 4.49Å; V44-A169 PolarHBondContact N-O 3.09Å; V44-A169 PolarHBondContact O-N 3.43Å; F46-A169 HydrophobicContact CE2-CB 4.41Å; I72-A169 CarbonylContact O-C 3.39Å; I72-A169 VanDerWaalsContact O-CA 3.26Å; I72-A169 WeakPolarHBondContact O-CA 3.23Å; L73-A169 HydrophobicContact CD1-CB 3.92Å; A169-F171 VanDerWaalsContact C-N 3.35Å; A169-F171 PolarHBondContact O-N 2.84Å; A169-F188 HydrophobicContact CB-CD1 4.39Å; A169-F188 HydrophobicContact CB-CD2 3.95Å; A169-F188 HydrophobicContact CB-CE1 3.86Å; A169-F188 HydrophobicContact CB-CE2 3.37Å; A169-F188 HydrophobicContact CB-CG 4.44Å; A169-F188 HydrophobicContact CB-CZ 3.33Å |
| 170 | G | 79 | Confident | 65.6 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 64.3 | 26.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | S42 Y43 I72 G172 A183 | S42-G170 CarbonylContact C-O 3.48Å; S42-G170 VanDerWaalsContact C-O 3.32Å; S42-G170 CarbonylContact O-C 3.47Å; S42-G170 VanDerWaalsContact O-C 3.3Å; S42-G170 VanDerWaalsContact O-CA 3.28Å; S42-G170 WeakPolarHBondContact O-CA 3.15Å; Y43-G170 WeakPolarHBondContact CB-O 3.44Å; I72-G170 PolarHBondContact O-N 2.73Å; G170-G172 PolarHBondContact O-N 2.92Å; G170-A183 WeakPolarHBondContact O-CB 3.4Å |
| 171 | F | 70.5 | Confident | 65.8 | Low | 14 Ų | 14 | 58 Ų | 58 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | trans | -72.2 | 92.1 | -176.9 | 56.9 | -73.4 | 0 | 0 | 0 | 111.6 | N71 L73 G74 Y90 R168 A169 | N71-F171 HydrophobicContact CB-CD1 4.29Å; N71-F171 HydrophobicContact CB-CE1 3.69Å; N71-F171 HydrophobicContact CB-CE2 4.05Å; N71-F171 HydrophobicContact CB-CZ 3.54Å; N71-F171 VanDerWaalsContact CG-CZ 3.48Å; N71-F171 WeakPolarHBondContact ND2-CE2 3.2Å; N71-F171 PolarHBondContact ND2-O 2.8Å; L73-F171 VanDerWaalsContact C-CE1 3.45Å; G74-F171 VanDerWaalsContact N-CE1 3.27Å; Y90-F171 HydrophobicContact CD1-CE1 4.16Å; Y90-F171 AromaticContact CD1-CE2 3.6Å; Y90-F171 HydrophobicContact CD1-CE2 3.6Å; Y90-F171 AromaticContact CD1-CZ 3.26Å; Y90-F171 HydrophobicContact CD1-CZ 3.26Å; Y90-F171 HydrophobicContact CE1-CD2 4.44Å; Y90-F171 AromaticContact CE1-CE2 3.58Å; Y90-F171 HydrophobicContact CE1-CE2 3.58Å; Y90-F171 AromaticContact CE1-CZ 3.71Å; Y90-F171 HydrophobicContact CE1-CZ 3.71Å; Y90-F171 HydrophobicContact CG-CZ 4.25Å; R168-F171 HydrophobicContact CG-CB 4.06Å; R168-F171 WeakPolarHBondContact O-CD1 3.43Å; A169-F171 VanDerWaalsContact C-N 3.35Å; A169-F171 PolarHBondContact O-N 2.84Å | ||
| 172 | G | 56.2 | Low | 66.3 | Low | 15 Ų | 15 | 59.3 Ų | 59.3 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | trans | -66.3 | 129.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | H40 G170 R181 | H40-G172 WeakPolarHBondContact O-CA 3.34Å; G170-G172 PolarHBondContact O-N 2.92Å; G172-R181 CarbonylContact C-O 3.59Å; G172-R181 WeakPolarHBondContact CA-O 3.45Å | ||
| 173 | H | 50 | Low | 66.4 | Low | 93 Ų | 93 | 57.2 Ų | 57.2 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -125.5 | 117.7 | 179 | -155 | -109.6 | 0 | 0 | 0 | 110 | S175 R181 | H173-S175 VanDerWaalsContact CE1-CB 3.49Å; H173-S175 WeakPolarHBondContact CE1-CB 3.34Å; H173-S175 PolarHBondContact CE1-OG 3.17Å; H173-S175 VanDerWaalsContact ND1-CB 3.32Å; H173-S175 WeakPolarHBondContact ND1-CB 3.34Å; H173-S175 PolarHBondContact ND1-OG 3.19Å; H173-R181 HydrophobicContact CB-CB 3.87Å; H173-R181 HydrophobicContact CB-CG 4.32Å; H173-R181 PolarHBondContact N-O 2.9Å; H173-R181 PolarHBondContact O-N 3.34Å |
| 174 | E | 43.3 | Very low | 66.5 | Low | 108 Ų | 108 | 57.4 Ų | 57.4 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | trans | -97 | 15.2 | -173.4 | -136.6 | 175.1 | -129.7 | 0 | 0 | 112.9 | H41 A821 | H41-E174 IonicContact CE1-OE1 2.66Å; H41-E174 PolarHBondContact CE1-OE1 2.97Å; H41-E174 IonicContact ND1-OE1 3.72Å; E174-A821 VanDerWaalsContact OE2-CB 3.25Å; E174-A821 WeakPolarHBondContact OE2-CB 3.37Å | ||
| 175 | S | 40.4 | Very low | 66.6 | Low | 47 Ų | 47 | 55.1 Ų | 55.1 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -55.2 | 155.1 | 175.1 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | H173 S177 | H173-S175 VanDerWaalsContact CE1-CB 3.49Å; H173-S175 WeakPolarHBondContact CE1-CB 3.34Å; H173-S175 PolarHBondContact CE1-OG 3.17Å; H173-S175 VanDerWaalsContact ND1-CB 3.32Å; H173-S175 WeakPolarHBondContact ND1-CB 3.34Å; H173-S175 PolarHBondContact ND1-OG 3.19Å; S175-S177 PolarHBondContact O-N 3.33Å; S175-S177 PolarHBondContact O-OG 3.32Å; S175-S177 VanDerWaalsContact O-OG 3.13Å; S175-S177 PolarHBondContact OG-OG 3.38Å |
| 176 | S | 40.6 | Very low | 66.7 | Low | 132 Ų | 132 | 55.2 Ų | 55.2 | 92% | 0.923 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -59.4 | 11.4 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 117.3 | ||
| 177 | S | 37.3 | Very low | 67 | Low | 56 Ų | 56 | 52.4 Ų | 52.4 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -59.2 | 135.3 | 161.1 | 45.7 | 0 | 0 | 0 | 0 | 109.6 | S175 Y179 | S175-S177 PolarHBondContact O-N 3.33Å; S175-S177 PolarHBondContact O-OG 3.32Å; S175-S177 VanDerWaalsContact O-OG 3.13Å; S175-S177 PolarHBondContact OG-OG 3.38Å; S177-Y179 CarbonylContact O-C 3.6Å; S177-Y179 PolarHBondContact O-N 3.1Å; S177-Y179 PolarHBondContact OG-O 2.77Å; S177-Y179 VanDerWaalsContact OG-O 3.1Å |
| 178 | S | 39.7 | Very low | 67.2 | Low | 116 Ų | 116 | 52.5 Ų | 52.5 | 81% | 0.811 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -59.2 | -5.5 | -179.3 | -46.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 179 | Y | 40.2 | Very low | 67.2 | Low | 188 Ų | 188 | 49.6 Ų | 49.6 | 74% | 0.737 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -125.4 | 116 | 173.1 | -55.9 | -83.5 | 0 | 0 | 0 | 107.9 | S177 | S177-Y179 CarbonylContact O-C 3.6Å; S177-Y179 PolarHBondContact O-N 3.1Å; S177-Y179 PolarHBondContact OG-O 2.77Å; S177-Y179 VanDerWaalsContact OG-O 3.1Å |
| 180 | P | 47.7 | Very low | 67.2 | Low | 78 Ų | 78 | 50.1 Ų | 50.1 | 51% | 0.506 | 28% | 0.275 | S | S | . | . | trans | -67 | 134.2 | 171.2 | 28.3 | -32.6 | 0 | 0 | 0 | 108.8 | L182 | P180-L182 HydrophobicContact CB-CD2 4.41Å; P180-L182 HydrophobicContact CG-CD2 4.47Å; P180-L182 PolarHBondContact O-N 3.3Å | ||
| 181 | R | 63.4 | Low | 67.5 | Low | 115 Ų | 115 | 50.4 Ų | 50.4 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -75.4 | 127.7 | 169.1 | -65.2 | -173.2 | -177.8 | -168.4 | 0 | 107.4 | G172 H173 | G172-R181 CarbonylContact C-O 3.59Å; G172-R181 WeakPolarHBondContact CA-O 3.45Å; H173-R181 HydrophobicContact CB-CB 3.87Å; H173-R181 HydrophobicContact CB-CG 4.32Å; H173-R181 PolarHBondContact N-O 2.9Å; H173-R181 PolarHBondContact O-N 3.34Å |
| 182 | L | 78.3 | Confident | 68.2 | Low | 51 Ų | 51 | 49.9 Ų | 49.9 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | trans | -110.3 | 145.9 | -178.8 | -64.5 | -178.6 | 0 | 0 | 0 | 109.6 | H40 G70 N71 P180 | H40-L182 HydrophobicContact CB-CB 3.85Å; H40-L182 HydrophobicContact CB-CD2 3.73Å; H40-L182 HydrophobicContact CB-CG 4.21Å; G70-L182 CarbonylContact C-O 3.54Å; G70-L182 VanDerWaalsContact CA-O 3.22Å; G70-L182 WeakPolarHBondContact CA-O 3.25Å; N71-L182 PolarHBondContact N-O 2.87Å; P180-L182 HydrophobicContact CB-CD2 4.41Å; P180-L182 HydrophobicContact CG-CD2 4.47Å; P180-L182 PolarHBondContact O-N 3.3Å | ||
| 183 | A | 86.3 | Confident | 69.5 | Low | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 149.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H40 G170 V185 | H40-A183 PolarHBondContact ND1-O 3.31Å; H40-A183 WeakPolarHBondContact O-CB 3.41Å; H40-A183 PolarHBondContact O-N 2.96Å; G170-A183 WeakPolarHBondContact O-CB 3.4Å; A183-V185 PolarHBondContact O-N 2.94Å |
| 184 | A | 90 | Very high | 71 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 120.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | N71 I72 | N71-A184 PolarHBondContact O-N 3.17Å; I72-A184 HydrophobicContact CG1-CB 4.08Å |
| 185 | V | 90.9 | Very high | 72.6 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 127.1 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 108.8 | L37 T65 S67 A183 F234 N236 | L37-V185 WeakPolarHBondContact O-CA 3.37Å; L37-V185 WeakPolarHBondContact O-CG1 3.42Å; T65-V185 PolarHBondContact OG1-O 2.88Å; S67-V185 WeakPolarHBondContact OG-CA 3.22Å; S67-V185 WeakPolarHBondContact OG-CB 3.26Å; S67-V185 PolarHBondContact OG-N 2.99Å; S67-V185 PolarHBondContact OG-O 3.15Å; A183-V185 PolarHBondContact O-N 2.94Å; V185-F234 WeakPolarHBondContact CG1-O 3.39Å; V185-N236 HydrophobicContact CG1-CB 3.93Å; V185-N236 WeakPolarHBondContact CG1-ND2 3.35Å |
| 186 | G | 93.1 | Very high | 74.1 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.5 | 179.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T36 L37 K64 | T36-G186 WeakPolarHBondContact CA-O 3.36Å; L37-G186 PolarHBondContact N-O 2.69Å; L37-G186 PolarHBondContact O-N 3.39Å; K64-G186 CarbonylContact O-C 3.6Å; K64-G186 WeakPolarHBondContact O-CA 3.25Å |
| 187 | C | 93.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 141.6 | 167.5 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | W34 F35 K64 C214 Y235 | W34-C187 HydrophobicContact CE3-CB 3.71Å; W34-C187 HydrophobicContact CZ3-CB 3.85Å; F35-C187 CarbonylContact O-C 3.54Å; F35-C187 WeakPolarHBondContact O-CA 3.3Å; K64-C187 HydrophobicContact CB-CB 4.13Å; K64-C187 HydrophobicContact CG-CB 4.14Å; K64-C187 PolarHBondContact N-O 3.34Å; K64-C187 PolarHBondContact O-N 2.84Å; C187-C214 HydrophobicContact CB-CB 3.73Å; C187-C214 WeakPolarHBondContact CB-SG 3.31Å; C187-C214 WeakPolarHBondContact SG-CA 3.44Å; C187-C214 WeakPolarHBondContact SG-CB 3.44Å; C187-C214 CovalentContact SG-SG 2.04Å; C187-C214 PolarHBondContact SG-SG 2.83Å; C187-Y235 HydrophobicContact CB-CE1 4.36Å; C187-Y235 WeakPolarHBondContact SG-CD1 3.39Å; C187-Y235 WeakPolarHBondContact SG-CE1 3.31Å |
| 188 | F | 92.8 | Very high | 77.6 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.4 | 166.9 | 79 | -79.6 | 0 | 0 | 0 | 111.5 | F35 L37 V44 F46 V61 D62 L63 A169 | F35-F188 HydrophobicContact CB-CD1 3.95Å; F35-F188 HydrophobicContact CB-CE1 3.35Å; F35-F188 HydrophobicContact CB-CE2 4.36Å; F35-F188 HydrophobicContact CB-CZ 3.58Å; F35-F188 HydrophobicContact CD2-CE2 4.15Å; F35-F188 AromaticContact CD2-CZ 3.96Å; F35-F188 HydrophobicContact CD2-CZ 3.96Å; F35-F188 HydrophobicContact CG-CE1 4.17Å; F35-F188 AromaticContact CG-CZ 3.87Å; F35-F188 HydrophobicContact CG-CZ 3.87Å; F35-F188 PolarHBondContact N-O 2.8Å; F35-F188 PolarHBondContact O-N 3.41Å; L37-F188 HydrophobicContact CD1-CD1 3.92Å; L37-F188 HydrophobicContact CD1-CE1 4.03Å; L37-F188 HydrophobicContact CD2-CD1 4.2Å; L37-F188 HydrophobicContact CD2-CE1 3.59Å; L37-F188 HydrophobicContact CG-CD1 3.76Å; L37-F188 HydrophobicContact CG-CE1 3.69Å; V44-F188 HydrophobicContact CB-CZ 3.88Å; V44-F188 HydrophobicContact CG2-CE1 4.07Å; V44-F188 HydrophobicContact CG2-CZ 3.75Å; F46-F188 HydrophobicContact CE2-CE2 4.36Å; F46-F188 HydrophobicContact CZ-CE2 4.06Å; F46-F188 HydrophobicContact CZ-CZ 4.42Å; V61-F188 HydrophobicContact CG1-CB 4.19Å; D62-F188 CarbonylContact O-C 3.53Å; D62-F188 WeakPolarHBondContact O-CA 3.44Å; L63-F188 HydrophobicContact CD1-CB 4.33Å; A169-F188 HydrophobicContact CB-CD1 4.39Å; A169-F188 HydrophobicContact CB-CD2 3.95Å; A169-F188 HydrophobicContact CB-CE1 3.86Å; A169-F188 HydrophobicContact CB-CE2 3.37Å; A169-F188 HydrophobicContact CB-CG 4.44Å; A169-F188 HydrophobicContact CB-CZ 3.33Å |
| 189 | Q | 89.4 | Confident | 79.2 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 135.2 | 175.4 | 172.8 | -172.8 | 36.3 | 0 | 0 | 106.7 | R32 W34 V61 D62 | R32-Q189 HydrophobicContact CB-CG 3.71Å; R32-Q189 PolarHBondContact O-NE2 3.49Å; W34-Q189 HydrophobicContact CD2-CB 3.77Å; W34-Q189 VanDerWaalsContact CE2-OE1 3.26Å; W34-Q189 HydrophobicContact CE3-CB 3.8Å; W34-Q189 HydrophobicContact CG-CB 4.26Å; W34-Q189 HydrophobicContact CH2-CB 4.23Å; W34-Q189 HydrophobicContact CZ2-CB 4.23Å; W34-Q189 VanDerWaalsContact CZ2-OE1 3.29Å; W34-Q189 HydrophobicContact CZ3-CB 4.04Å; V61-Q189 CarbonylContact C-O 3.57Å; V61-Q189 WeakPolarHBondContact CA-O 3.23Å; D62-Q189 HydrophobicContact CB-CB 4.26Å; D62-Q189 PolarHBondContact N-O 3.35Å; D62-Q189 PolarHBondContact O-N 2.94Å |
| 190 | I | 87.7 | Confident | 80.8 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.7 | -175.1 | -168.5 | 171.5 | 0 | 0 | 0 | 111.5 | R32 F46 R60 L73 V167 I192 | R32-I190 WeakPolarHBondContact CD-O 3.28Å; F46-I190 HydrophobicContact CD1-CG2 4.44Å; F46-I190 HydrophobicContact CE1-CG2 3.73Å; F46-I190 HydrophobicContact CE2-CG2 4.07Å; F46-I190 HydrophobicContact CZ-CG2 3.53Å; R60-I190 CarbonylContact O-C 3.55Å; R60-I190 WeakPolarHBondContact O-CA 3.24Å; L73-I190 HydrophobicContact CD1-CD1 3.72Å; L73-I190 HydrophobicContact CD2-CD1 3.92Å; L73-I190 HydrophobicContact CG-CD1 4.49Å; V167-I190 HydrophobicContact CG1-CD1 3.81Å; I190-I192 HydrophobicContact CD1-CD1 4.49Å; I190-I192 HydrophobicContact CD1-CG1 4.24Å; I190-I192 HydrophobicContact CG1-CG1 4.36Å |
| 191 | G | 85.3 | Confident | 81.9 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y59 R60 F193 | Y59-G191 CarbonylContact C-O 3.56Å; Y59-G191 VanDerWaalsContact CA-O 3.29Å; Y59-G191 WeakPolarHBondContact CA-O 3.49Å; R60-G191 PolarHBondContact N-O 3.06Å; R60-G191 PolarHBondContact O-N 3.37Å; G191-F193 WeakPolarHBondContact O-CE2 3.05Å |
| 192 | I | 85 | Confident | 82.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.1 | 172.1 | -61.4 | -165.8 | 0 | 0 | 0 | 108.2 | F57 V167 I190 A198 V199 T201 | F57-I192 HydrophobicContact CD2-CG2 4.28Å; F57-I192 HydrophobicContact CE2-CG2 3.48Å; F57-I192 VanDerWaalsContact CE2-CG2 3.48Å; F57-I192 HydrophobicContact CZ-CG2 4.19Å; V167-I192 HydrophobicContact CB-CD1 4.42Å; V167-I192 HydrophobicContact CG1-CD1 4.45Å; V167-I192 HydrophobicContact CG2-CD1 3.81Å; I190-I192 HydrophobicContact CD1-CD1 4.49Å; I190-I192 HydrophobicContact CD1-CG1 4.24Å; I190-I192 HydrophobicContact CG1-CG1 4.36Å; I192-A198 CarbonylContact O-C 3.42Å; I192-A198 WeakPolarHBondContact O-CA 3.37Å; I192-V199 HydrophobicContact CB-CB 4.4Å; I192-V199 HydrophobicContact CG2-CB 4.27Å; I192-V199 PolarHBondContact O-N 3.04Å; I192-T201 HydrophobicContact CB-CG2 4.09Å; I192-T201 HydrophobicContact CD1-CG2 3.66Å; I192-T201 HydrophobicContact CG1-CG2 3.93Å |
| 193 | F | 84.3 | Confident | 83 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 140.4 | -177.9 | -49.9 | -93.6 | 0 | 0 | 0 | 110.5 | G58 R60 G191 I197 A198 | G58-F193 PolarHBondContact N-O 2.67Å; G58-F193 PolarHBondContact O-N 3.23Å; R60-F193 HydrophobicContact CB-CE2 3.69Å; R60-F193 HydrophobicContact CB-CZ 4.33Å; G191-F193 WeakPolarHBondContact O-CE2 3.05Å; F193-I197 CarbonylContact C-O 3.56Å; F193-I197 WeakPolarHBondContact CA-O 3.02Å; F193-A198 HydrophobicContact CD1-CB 3.91Å; F193-A198 HydrophobicContact CE1-CB 3.83Å |
| 194 | E | 81.7 | Confident | 82.8 | Confident | 46 Ų | 46 | 51 Ų | 51 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.1 | 167.7 | -175 | 179.1 | -152.1 | 0 | 0 | 107.7 | F49 D56 G196 I197 V199 | F49-E194 HydrophobicContact CZ-CB 4.27Å; D56-E194 CarbonylContact O-C 3.56Å; D56-E194 WeakPolarHBondContact O-CA 3.23Å; E194-G196 PolarHBondContact O-N 2.96Å; E194-I197 PolarHBondContact N-O 2.88Å; E194-I197 WeakPolarHBondContact O-CB 3.4Å; E194-I197 PolarHBondContact O-N 2.86Å; E194-V199 HydrophobicContact CB-CG2 4.17Å |
| 195 | N | 77.6 | Confident | 82.4 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 37 | -173.3 | -62.9 | -52.9 | 0 | 0 | 0 | 113.7 | G55 D56 I197 | G55-N195 VanDerWaalsContact CA-OD1 3.24Å; G55-N195 WeakPolarHBondContact CA-OD1 3.48Å; D56-N195 PolarHBondContact N-OD1 3.08Å; D56-N195 PolarHBondContact O-N 2.81Å; N195-I197 PolarHBondContact O-N 3.46Å |
| 196 | G | 71.2 | Confident | 82 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E194 | E194-G196 PolarHBondContact O-N 2.96Š|
| 197 | I | 76 | Confident | 81.3 | Confident | 124 Ų | 124 | 60 Ų | 60 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.5 | 176.6 | -55.9 | 177.5 | 0 | 0 | 0 | 108.9 | F193 E194 N195 V199 | F193-I197 CarbonylContact C-O 3.56Å; F193-I197 WeakPolarHBondContact CA-O 3.02Å; E194-I197 PolarHBondContact N-O 2.88Å; E194-I197 WeakPolarHBondContact O-CB 3.4Å; E194-I197 PolarHBondContact O-N 2.86Å; N195-I197 PolarHBondContact O-N 3.46Å; I197-V199 PolarHBondContact O-N 3.03Å |
| 198 | A | 74.9 | Confident | 80 | Confident | 74 Ų | 74 | 64.2 Ų | 64.2 | 61% | 0.612 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I192 F193 | I192-A198 CarbonylContact O-C 3.42Å; I192-A198 WeakPolarHBondContact O-CA 3.37Å; F193-A198 HydrophobicContact CD1-CB 3.91Å; F193-A198 HydrophobicContact CE1-CB 3.83Å |
| 199 | V | 74.6 | Confident | 78.9 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.2 | 177 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | F49 I192 E194 I197 T201 | F49-V199 HydrophobicContact CD2-CG1 3.76Å; F49-V199 HydrophobicContact CE2-CB 4.43Å; F49-V199 HydrophobicContact CE2-CG1 3.62Å; F49-V199 HydrophobicContact CE2-CG2 4.01Å; F49-V199 HydrophobicContact CZ-CG1 4.47Å; F49-V199 HydrophobicContact CZ-CG2 4.11Å; I192-V199 HydrophobicContact CB-CB 4.4Å; I192-V199 HydrophobicContact CG2-CB 4.27Å; I192-V199 PolarHBondContact O-N 3.04Å; E194-V199 HydrophobicContact CB-CG2 4.17Å; I197-V199 PolarHBondContact O-N 3.03Å; V199-T201 PolarHBondContact O-N 3.17Å |
| 200 | Q | 74 | Confident | 78.5 | Confident | 185 Ų | 185 | 64.7 Ų | 64.7 | 86% | 0.864 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 125.1 | 173.5 | -170.3 | 174 | -1.9 | 0 | 0 | 109.8 | ||
| 201 | T | 70.2 | Confident | 77.9 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | trans | -118.7 | 139.4 | 179.5 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | I192 V199 | I192-T201 HydrophobicContact CB-CG2 4.09Å; I192-T201 HydrophobicContact CD1-CG2 3.66Å; I192-T201 HydrophobicContact CG1-CG2 3.93Å; V199-T201 PolarHBondContact O-N 3.17Å | ||
| 202 | E | 81.8 | Confident | 77.4 | Confident | 139 Ų | 139 | 69.3 Ų | 69.3 | 65% | 0.65 | 38% | 0.378 | S | S | * | . | trans | -100.3 | 150.1 | 175.8 | -62.9 | -171.7 | 166.5 | 0 | 0 | 111.1 | F46 S47 L204 | F46-E202 CarbonylContact C-O 3.48Å; F46-E202 WeakPolarHBondContact CA-O 3.4Å; S47-E202 PolarHBondContact N-O 3.24Å; S47-E202 PolarHBondContact OG-N 3.14Å; S47-E202 VanDerWaalsContact OG-N 3.12Å; S47-E202 PolarHBondContact OG-O 3.41Å; E202-L204 PolarHBondContact O-N 2.81Å | ||
| 203 | V | 82.3 | Confident | 77.1 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 33% | 0.333 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 111.7 | 172.9 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | F35 V44 F46 R206 | F35-V203 HydrophobicContact CE1-CG2 3.86Å; F35-V203 HydrophobicContact CE2-CG2 4.42Å; F35-V203 HydrophobicContact CZ-CG2 3.48Å; F35-V203 VanDerWaalsContact CZ-CG2 3.48Å; V44-V203 HydrophobicContact CG1-CG1 3.81Å; V44-V203 HydrophobicContact CG1-CG2 4.2Å; F46-V203 HydrophobicContact CD1-CG2 4.25Å; F46-V203 HydrophobicContact CE1-CG2 3.9Å; V203-R206 HydrophobicContact CG1-CB 4.47Å |
| 204 | L | 82.8 | Confident | 77.1 | Confident | 114 Ų | 114 | 71 Ų | 71 | 60% | 0.597 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -45.9 | 177.5 | -178.1 | 71.2 | 0 | 0 | 0 | 111.5 | T45 E202 | T45-L204 HydrophobicContact CG2-CD2 4.39Å; T45-L204 WeakPolarHBondContact O-CB 3.38Å; T45-L204 PolarHBondContact O-N 3.36Å; E202-L204 PolarHBondContact O-N 2.81Å |
| 205 | H | 81.5 | Confident | 77 | Confident | 97 Ų | 97 | 69.8 Ų | 69.8 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 149.6 | -179.6 | -170.7 | -80.2 | 0 | 0 | 0 | 110.5 | Y43 T45 | Y43-H205 AromaticContact CE2-ND1 3.42Å; Y43-H205 WeakPolarHBondContact CE2-ND1 3.44Å; Y43-H205 AromaticContact CZ-CE1 3.91Å; Y43-H205 AromaticContact CZ-ND1 3.72Å; Y43-H205 PolarHBondContact OH-CE1 2.83Å; Y43-H205 PolarHBondContact OH-ND1 2.97Å; T45-H205 PolarHBondContact N-O 3.33Å; T45-H205 PolarHBondContact O-N 2.91Å; T45-H205 VanDerWaalsContact O-N 3.07Å |
| 206 | R | 82.3 | Confident | 77.1 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.5 | 169.8 | 61.9 | 179.9 | 173.7 | 144.9 | -10.3 | 110.3 | Y43 V44 V203 A210 M212 | Y43-R206 CarbonylContact O-C 3.54Å; Y43-R206 WeakPolarHBondContact O-CA 3.39Å; V44-R206 HydrophobicContact CG1-CB 4.42Å; V44-R206 HydrophobicContact CG2-CB 4.09Å; V203-R206 HydrophobicContact CG1-CB 4.47Å; R206-A210 HydrophobicContact CB-CB 4.18Å; R206-A210 WeakPolarHBondContact CD-O 3.37Å; R206-A210 PolarHBondContact NH1-O 2.87Å; R206-M212 VanDerWaalsContact CZ-SD 3.6Å; R206-M212 PolarHBondContact NH2-SD 2.83Å; R206-M212 VanDerWaalsContact NH2-SD 3.44Å |
| 207 | S | 78.1 | Confident | 77.3 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | trans | -68.4 | 158.6 | 169.2 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | S42 Y43 D209 A210 | S42-S207 VanDerWaalsContact CA-OG 3.23Å; S42-S207 WeakPolarHBondContact CA-OG 3.36Å; Y43-S207 PolarHBondContact N-OG 3.39Å; Y43-S207 PolarHBondContact O-N 2.87Å; Y43-S207 PolarHBondContact O-OG 3.2Å; S207-D209 WeakPolarHBondContact CB-OD1 3.22Å; S207-D209 PolarHBondContact O-N 2.92Å; S207-D209 PolarHBondContact OG-OD1 2.78Å; S207-A210 PolarHBondContact O-N 2.86Å | ||
| 208 | S | 67 | Low | 77.3 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.8 | -178.3 | 51.8 | 0 | 0 | 0 | 0 | 114 | ||
| 209 | D | 70 | Confident | 77 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 10.6 | 177.5 | 62.8 | -21.2 | 0 | 0 | 0 | 113.1 | M38 S39 S42 S207 | M38-D209 HydrophobicContact CB-CB 4.32Å; M38-D209 VanDerWaalsContact CB-O 3.25Å; M38-D209 WeakPolarHBondContact CB-O 3.22Å; M38-D209 VanDerWaalsContact CG-O 3.23Å; M38-D209 WeakPolarHBondContact CG-O 3.5Å; M38-D209 PolarHBondContact N-O 3.06Å; M38-D209 VanDerWaalsContact N-O 3.14Å; S39-D209 VanDerWaalsContact CB-OD2 3.28Å; S39-D209 WeakPolarHBondContact CB-OD2 3.34Å; S39-D209 PolarHBondContact OG-OD2 3.33Å; S42-D209 WeakPolarHBondContact CA-OD1 3.36Å; S42-D209 PolarHBondContact OG-O 3.2Å; S42-D209 PolarHBondContact OG-OD1 2.74Å; S42-D209 PolarHBondContact OG-OD2 3.47Å; S207-D209 WeakPolarHBondContact CB-OD1 3.22Å; S207-D209 PolarHBondContact O-N 2.92Å; S207-D209 PolarHBondContact OG-OD1 2.78Å |
| 210 | A | 80.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 108.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T36 L37 V44 R206 S207 | T36-A210 CarbonylContact O-C 3.53Å; T36-A210 VanDerWaalsContact O-CA 3.3Å; T36-A210 WeakPolarHBondContact O-CA 3.42Å; L37-A210 HydrophobicContact CD2-CB 4.12Å; V44-A210 HydrophobicContact CG2-CB 3.82Å; R206-A210 HydrophobicContact CB-CB 4.18Å; R206-A210 WeakPolarHBondContact CD-O 3.37Å; R206-A210 PolarHBondContact NH1-O 2.87Å; S207-A210 PolarHBondContact O-N 2.86Å |
| 211 | Y | 74.2 | Confident | 75.8 | Confident | 46 Ų | 46 | 60 Ų | 60 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 144.2 | -172.5 | -75.1 | -96.5 | 0 | 0 | 0 | 112.4 | F35 T36 M38 T213 H849 | F35-Y211 CarbonylContact C-O 3.36Å; F35-Y211 WeakPolarHBondContact CA-O 3.5Å; T36-Y211 PolarHBondContact N-O 3.35Å; T36-Y211 PolarHBondContact O-N 3.44Å; M38-Y211 HydrophobicContact CG-CD2 3.56Å; M38-Y211 HydrophobicContact CG-CE2 3.86Å; M38-Y211 HydrophobicContact SD-CD2 4.46Å; Y211-T213 VanDerWaalsContact C-N 3.28Å; Y211-T213 PolarHBondContact O-N 3.26Å; Y211-T213 VanDerWaalsContact O-N 3.15Å; Y211-H849 AromaticContact CZ-CE1 3.84Å; Y211-H849 PolarHBondContact OH-CE1 3.35Å; Y211-H849 PolarHBondContact OH-ND1 2.96Å |
| 212 | M | 75.9 | Confident | 75.9 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 34% | 0.335 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -87.4 | 64.1 | 175.6 | -74.7 | 166.5 | 80 | 0 | 0 | 110.8 | E33 W34 F35 R206 | E33-M212 WeakPolarHBondContact OE2-CE 3.38Å; W34-M212 CarbonylContact O-C 3.6Å; F35-M212 HydrophobicContact CD1-CG 4.06Å; F35-M212 HydrophobicContact CE1-CG 3.6Å; F35-M212 HydrophobicContact CZ-CG 4.49Å; R206-M212 VanDerWaalsContact CZ-SD 3.6Å; R206-M212 PolarHBondContact NH2-SD 2.83Å; R206-M212 VanDerWaalsContact NH2-SD 3.44Å |
| 213 | T | 78.4 | Confident | 75.6 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -175.3 | 170.3 | 165.5 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | W34 F35 T36 Y211 V215 | W34-T213 CarbonylContact O-C 3.55Å; W34-T213 WeakPolarHBondContact O-CA 3.46Å; W34-T213 PolarHBondContact O-N 3.31Å; F35-T213 CarbonylContact C-O 3.56Å; T36-T213 PolarHBondContact N-O 3.41Å; T36-T213 VanDerWaalsContact N-O 3.1Å; T36-T213 PolarHBondContact OG1-O 3.19Å; Y211-T213 VanDerWaalsContact C-N 3.28Å; Y211-T213 PolarHBondContact O-N 3.26Å; Y211-T213 VanDerWaalsContact O-N 3.15Å; T213-V215 HydrophobicContact CG2-CG2 3.96Å |
| 214 | C | 83.5 | Confident | 75.4 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | trans | -88.7 | 104.1 | 163.9 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | W34 T36 C187 N216 | W34-C214 HydrophobicContact CB-CB 4.05Å; W34-C214 HydrophobicContact CD2-CB 4.23Å; W34-C214 HydrophobicContact CE3-CB 4.28Å; W34-C214 HydrophobicContact CG-CB 4.15Å; T36-C214 WeakPolarHBondContact OG1-CA 3.38Å; C187-C214 HydrophobicContact CB-CB 3.73Å; C187-C214 WeakPolarHBondContact CB-SG 3.31Å; C187-C214 WeakPolarHBondContact SG-CA 3.44Å; C187-C214 WeakPolarHBondContact SG-CB 3.44Å; C187-C214 CovalentContact SG-SG 2.04Å; C187-C214 PolarHBondContact SG-SG 2.83Å; C214-N216 PolarHBondContact O-N 3.19Å | ||
| 215 | V | 80.3 | Confident | 75 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | trans | -74.1 | 121.7 | -176.2 | 180 | 0 | 0 | 0 | 0 | 110.1 | T36 T213 Q217 N233 | T36-V215 HydrophobicContact CG2-CB 4.19Å; T36-V215 HydrophobicContact CG2-CG2 4.31Å; T36-V215 PolarHBondContact OG1-N 3.11Å; T213-V215 HydrophobicContact CG2-CG2 3.96Å; V215-Q217 HydrophobicContact CG1-CG 4.41Å; V215-N233 PolarHBondContact O-ND2 2.83Å | ||
| 216 | N | 79.4 | Confident | 74.5 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | trans | -106.6 | 95.9 | 172.9 | -174.1 | 0.8 | 0 | 0 | 0 | 110.6 | C214 C218 S219 | C214-N216 PolarHBondContact O-N 3.19Å; N216-C218 PolarHBondContact O-N 2.91Å; N216-C218 WeakPolarHBondContact OD1-CB 3.18Å; N216-C218 PolarHBondContact OD1-N 3.17Å; N216-C218 VanDerWaalsContact OD1-N 3.09Å; N216-S219 PolarHBondContact O-N 2.72Å; N216-S219 PolarHBondContact O-OG 3.42Å | ||
| 217 | Q | 76.3 | Confident | 74 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.8 | 179.6 | -59.5 | -68.5 | -11.6 | 0 | 0 | 113.3 | V215 N233 Y235 L238 | V215-Q217 HydrophobicContact CG1-CG 4.41Å; Q217-N233 WeakPolarHBondContact CB-OD1 3.24Å; Q217-N233 WeakPolarHBondContact CG-OD1 3.35Å; Q217-N233 PolarHBondContact N-OD1 3.09Å; Q217-Y235 WeakPolarHBondContact CG-O 3.3Å; Q217-Y235 PolarHBondContact NE2-O 3.07Å; Q217-L238 HydrophobicContact CB-CB 3.78Å; Q217-L238 HydrophobicContact CB-CD2 4.03Å; Q217-L238 WeakPolarHBondContact O-CD2 3.42Å |
| 218 | C | 76.4 | Confident | 73.5 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 14% | 0.135 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.8 | 176.7 | -65.2 | 0 | 0 | 0 | 0 | 114.4 | N216 G220 H221 C231 N233 | N216-C218 PolarHBondContact O-N 2.91Å; N216-C218 WeakPolarHBondContact OD1-CB 3.18Å; N216-C218 PolarHBondContact OD1-N 3.17Å; N216-C218 VanDerWaalsContact OD1-N 3.09Å; C218-G220 PolarHBondContact O-N 3.36Å; C218-G220 VanDerWaalsContact O-N 3.11Å; C218-H221 PolarHBondContact O-N 2.8Å; C218-C231 WeakPolarHBondContact CA-SG 3.3Å; C218-C231 HydrophobicContact CB-CB 3.64Å; C218-C231 WeakPolarHBondContact CB-SG 3.49Å; C218-C231 WeakPolarHBondContact SG-CB 3.43Å; C218-C231 CovalentContact SG-SG 2.03Å; C218-C231 PolarHBondContact SG-SG 2.84Å; C218-N233 PolarHBondContact SG-N 3.32Å |
| 219 | S | 67 | Low | 74.2 | Confident | 81 Ų | 81 | 59 Ų | 59 | 57% | 0.566 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 109.7 | 172.3 | 64.8 | 0 | 0 | 0 | 0 | 109.9 | N216 | N216-S219 PolarHBondContact O-N 2.72Å; N216-S219 PolarHBondContact O-OG 3.42Å |
| 220 | G | 58.1 | Low | 74.8 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 123.3 | 1.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C218 | C218-G220 PolarHBondContact O-N 3.36Å; C218-G220 VanDerWaalsContact O-N 3.11Å |
| 221 | H | 65.6 | Low | 75.1 | Confident | 112 Ų | 112 | 62 Ų | 62 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | trans | 56.8 | 57.5 | 177.1 | -47.6 | 128.6 | 0 | 0 | 0 | 114.2 | C218 C223 S228 | C218-H221 PolarHBondContact O-N 2.8Å; H221-C223 PolarHBondContact O-N 2.93Å; H221-C223 VanDerWaalsContact O-N 3.13Å; H221-S228 WeakPolarHBondContact CD2-CB 3.39Å | ||
| 222 | P | 73.6 | Confident | 75.9 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | trans | -72.5 | -4.3 | -171.8 | 32.3 | -39.1 | 0 | 0 | 0 | 115.3 | C231 L238 R251 | P222-C231 VanDerWaalsContact CG-SG 3.59Å; P222-L238 HydrophobicContact CB-CD1 4.03Å; P222-L238 HydrophobicContact CB-CD2 3.98Å; P222-L238 HydrophobicContact CG-CD1 3.75Å; P222-L238 HydrophobicContact CG-CD2 3.81Å; P222-L238 HydrophobicContact CG-CG 4.4Å; P222-R251 WeakPolarHBondContact O-CD 3.26Å | ||
| 223 | C | 74.7 | Confident | 76.4 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 10% | 0.095 | 32% | 0.319 | C | S | . | . | trans | -87.6 | 139.1 | -179.7 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | H221 V226 C231 C240 R251 | H221-C223 PolarHBondContact O-N 2.93Å; H221-C223 VanDerWaalsContact O-N 3.13Å; C223-V226 HydrophobicContact CB-CG2 3.54Å; C223-C231 VanDerWaalsContact SG-CA 3.55Å; C223-C231 WeakPolarHBondContact SG-CB 3.29Å; C223-C240 WeakPolarHBondContact CA-SG 3.38Å; C223-C240 HydrophobicContact CB-CB 3.74Å; C223-C240 WeakPolarHBondContact CB-SG 3.32Å; C223-C240 WeakPolarHBondContact SG-CB 3.34Å; C223-C240 CovalentContact SG-SG 2.02Å; C223-C240 PolarHBondContact SG-SG 2.91Å; C223-R251 WeakPolarHBondContact CA-O 3.39Å | ||
| 224 | R | 77.4 | Confident | 76.9 | Confident | 110 Ų | 110 | 57.9 Ų | 57.9 | 42% | 0.415 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -98.6 | 158.1 | 170.3 | -61.4 | -53.9 | -157.9 | 163.6 | 11.9 | 110.3 | V226 R251 C252 L514 | R224-V226 WeakPolarHBondContact O-CG2 3.29Å; R224-V226 PolarHBondContact O-N 2.81Å; R224-R251 PolarHBondContact N-O 3.35Å; R224-C252 WeakPolarHBondContact O-CB 3.45Å; R224-L514 VanDerWaalsContact NH2-CD2 3.33Å |
| 225 | H | 74.9 | Confident | 77 | Confident | 112 Ų | 112 | 56.5 Ų | 56.5 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 53.3 | 5.5 | 175.2 | -47.1 | 111.3 | 0 | 0 | 0 | 117.7 | Y247 C252 | H225-Y247 HydrophobicContact CB-CD1 4.16Å; H225-Y247 HydrophobicContact CB-CD2 3.38Å; H225-Y247 HydrophobicContact CB-CE1 4.27Å; H225-Y247 HydrophobicContact CB-CE2 3.51Å; H225-Y247 HydrophobicContact CB-CG 3.73Å; H225-Y247 AromaticContact CD2-CE1 3.9Å; H225-Y247 AromaticContact CD2-CZ 3.72Å; H225-Y247 AromaticContact CE1-CE1 3.79Å; H225-Y247 AromaticContact CG-CD1 3.78Å; H225-Y247 AromaticContact CG-CD2 3.87Å; H225-Y247 AromaticContact CG-CE1 3.66Å; H225-Y247 AromaticContact CG-CE2 3.76Å; H225-Y247 AromaticContact CG-CG 3.89Å; H225-Y247 AromaticContact CG-CZ 3.65Å; H225-Y247 AromaticContact ND1-CD1 3.47Å; H225-Y247 WeakPolarHBondContact ND1-CD1 3.47Å; H225-Y247 AromaticContact ND1-CE1 3.61Å; H225-Y247 AromaticContact ND1-CG 3.86Å; H225-C252 PolarHBondContact ND1-O 3.03Å |
| 226 | V | 70.4 | Confident | 77 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -138.2 | 155 | -179.9 | -58.1 | 0 | 0 | 0 | 0 | 111 | C223 R224 R230 C252 | C223-V226 HydrophobicContact CB-CG2 3.54Å; R224-V226 WeakPolarHBondContact O-CG2 3.29Å; R224-V226 PolarHBondContact O-N 2.81Å; V226-R230 HydrophobicContact CB-CB 4.15Å; V226-R230 HydrophobicContact CB-CG 4.08Å; V226-R230 HydrophobicContact CG2-CB 3.73Å; V226-R230 HydrophobicContact CG2-CG 4.22Å; V226-C252 HydrophobicContact CG1-CB 4.18Å; V226-C252 HydrophobicContact CG2-CB 4.49Å |
| 227 | Q | 71.9 | Confident | 77.1 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | trans | -59.7 | 148.2 | 177.8 | -67.1 | 177.1 | -11.4 | 0 | 0 | 112.1 | N229 R230 | Q227-N229 VanDerWaalsContact CB-OD1 3.25Å; Q227-N229 WeakPolarHBondContact CB-OD1 3.48Å; Q227-N229 PolarHBondContact O-N 3.15Å; Q227-N229 VanDerWaalsContact O-N 3.16Å; Q227-R230 HydrophobicContact CB-CG 4.31Å; Q227-R230 WeakPolarHBondContact O-CB 3.33Å; Q227-R230 VanDerWaalsContact O-CG 3.27Å; Q227-R230 WeakPolarHBondContact O-CG 3.49Å; Q227-R230 PolarHBondContact O-N 2.94Å | ||
| 228 | S | 69 | Low | 77.6 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -54.3 | -35.4 | -177.8 | 49 | 0 | 0 | 0 | 0 | 114.6 | H221 R230 C231 | H221-S228 WeakPolarHBondContact CD2-CB 3.39Å; S228-R230 PolarHBondContact O-N 2.74Å; S228-R230 VanDerWaalsContact O-N 3.12Å; S228-C231 PolarHBondContact O-N 3.49Å |
| 229 | N | 79.9 | Confident | 78 | Confident | 115 Ų | 115 | 59.4 Ų | 59.4 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -66.4 | -5.3 | 176 | 67.1 | -3.2 | 0 | 0 | 0 | 114.4 | Q227 C231 | Q227-N229 VanDerWaalsContact CB-OD1 3.25Å; Q227-N229 WeakPolarHBondContact CB-OD1 3.48Å; Q227-N229 PolarHBondContact O-N 3.15Å; Q227-N229 VanDerWaalsContact O-N 3.16Å; N229-C231 VanDerWaalsContact C-N 3.35Å |
| 230 | R | 83.9 | Confident | 79 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -85.5 | -7.7 | 174.7 | -58.2 | -69.8 | -67.4 | -142.2 | -11.6 | 112.8 | V226 Q227 S228 N241 F243 | V226-R230 HydrophobicContact CB-CB 4.15Å; V226-R230 HydrophobicContact CB-CG 4.08Å; V226-R230 HydrophobicContact CG2-CB 3.73Å; V226-R230 HydrophobicContact CG2-CG 4.22Å; Q227-R230 HydrophobicContact CB-CG 4.31Å; Q227-R230 WeakPolarHBondContact O-CB 3.33Å; Q227-R230 VanDerWaalsContact O-CG 3.27Å; Q227-R230 WeakPolarHBondContact O-CG 3.49Å; Q227-R230 PolarHBondContact O-N 2.94Å; S228-R230 PolarHBondContact O-N 2.74Å; S228-R230 VanDerWaalsContact O-N 3.12Å; R230-N241 HydrophobicContact CB-CB 4.38Å; R230-N241 VanDerWaalsContact CZ-O 3.24Å; R230-N241 PolarHBondContact NE-O 3.47Å; R230-N241 VanDerWaalsContact NH2-CG 3.32Å; R230-N241 PolarHBondContact NH2-O 3.32Å; R230-N241 PolarHBondContact NH2-OD1 2.93Å; R230-N241 VanDerWaalsContact NH2-OD1 3.16Å; R230-N241 PolarHBondContact O-N 2.82Å; R230-F243 PolarHBondContact NH2-O 3.28Å |
| 231 | C | 87 | Confident | 80.3 | Confident | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.7 | 172.3 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | C218 P222 C223 S228 N229 | C218-C231 WeakPolarHBondContact CA-SG 3.3Å; C218-C231 HydrophobicContact CB-CB 3.64Å; C218-C231 WeakPolarHBondContact CB-SG 3.49Å; C218-C231 WeakPolarHBondContact SG-CB 3.43Å; C218-C231 CovalentContact SG-SG 2.03Å; C218-C231 PolarHBondContact SG-SG 2.84Å; P222-C231 VanDerWaalsContact CG-SG 3.59Å; C223-C231 VanDerWaalsContact SG-CA 3.55Å; C223-C231 WeakPolarHBondContact SG-CB 3.29Å; S228-C231 PolarHBondContact O-N 3.49Å; N229-C231 VanDerWaalsContact C-N 3.35Å |
| 232 | I | 89.4 | Confident | 81.1 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 110.9 | 179.9 | -47.6 | -60.6 | 0 | 0 | 0 | 108.2 | R66 F234 L238 R239 N241 Y407 | R66-I232 VanDerWaalsContact NE-CG2 3.31Å; I232-F234 HydrophobicContact CB-CE2 4.04Å; I232-F234 HydrophobicContact CG2-CD2 4.14Å; I232-F234 HydrophobicContact CG2-CE2 3.55Å; I232-F234 HydrophobicContact CG2-CZ 3.97Å; I232-F234 PolarHBondContact O-N 2.92Å; I232-L238 WeakPolarHBondContact O-CA 3.44Å; I232-R239 WeakPolarHBondContact CA-O 3.35Å; I232-R239 VanDerWaalsContact CB-O 3.29Å; I232-R239 WeakPolarHBondContact CB-O 3.26Å; I232-R239 PolarHBondContact N-O 2.91Å; I232-R239 PolarHBondContact O-N 2.9Å; I232-N241 HydrophobicContact CG1-CB 4.46Å; I232-Y407 HydrophobicContact CB-CE2 4.44Å; I232-Y407 HydrophobicContact CD1-CD1 4.19Å; I232-Y407 HydrophobicContact CD1-CE1 3.59Å; I232-Y407 HydrophobicContact CG1-CD1 3.7Å; I232-Y407 HydrophobicContact CG1-CD2 4.21Å; I232-Y407 HydrophobicContact CG1-CE1 3.58Å; I232-Y407 HydrophobicContact CG1-CE2 4.13Å; I232-Y407 HydrophobicContact CG1-CG 3.98Å; I232-Y407 HydrophobicContact CG2-CD2 4.1Å; I232-Y407 HydrophobicContact CG2-CE2 3.72Å |
| 233 | N | 87.9 | Confident | 81.5 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.2 | 175 | -173.2 | 30.8 | 0 | 0 | 0 | 109.8 | R66 V215 Q217 C218 Y235 | R66-N233 VanDerWaalsContact CD-O 3.25Å; R66-N233 WeakPolarHBondContact CD-O 3.44Å; R66-N233 PolarHBondContact NE-O 3.48Å; R66-N233 VanDerWaalsContact NE-O 3.15Å; V215-N233 PolarHBondContact O-ND2 2.83Å; Q217-N233 WeakPolarHBondContact CB-OD1 3.24Å; Q217-N233 WeakPolarHBondContact CG-OD1 3.35Å; Q217-N233 PolarHBondContact N-OD1 3.09Å; C218-N233 PolarHBondContact SG-N 3.32Å; N233-Y235 WeakPolarHBondContact ND2-CD1 3.39Å; N233-Y235 VanDerWaalsContact ND2-CE1 3.32Å; N233-Y235 WeakPolarHBondContact ND2-CE1 3.43Å; N233-Y235 WeakPolarHBondContact OD1-CA 3.49Å; N233-Y235 PolarHBondContact OD1-N 2.89Å |
| 234 | F | 88.5 | Confident | 81.5 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | trans | -100.3 | 9.2 | 167 | -73.4 | -87.8 | 0 | 0 | 0 | 111.9 | R66 V185 I232 N236 D237 R239 Y407 | R66-F234 HydrophobicContact CB-CD1 3.81Å; R66-F234 HydrophobicContact CB-CE1 3.93Å; R66-F234 HydrophobicContact CG-CD1 4.4Å; R66-F234 HydrophobicContact CG-CE1 4.47Å; V185-F234 WeakPolarHBondContact CG1-O 3.39Å; I232-F234 HydrophobicContact CB-CE2 4.04Å; I232-F234 HydrophobicContact CG2-CD2 4.14Å; I232-F234 HydrophobicContact CG2-CE2 3.55Å; I232-F234 HydrophobicContact CG2-CZ 3.97Å; I232-F234 PolarHBondContact O-N 2.92Å; F234-N236 PolarHBondContact O-N 2.93Å; F234-N236 PolarHBondContact O-OD1 3.03Å; F234-D237 CarbonylContact C-O 3.53Å; F234-D237 WeakPolarHBondContact CA-O 3.36Å; F234-D237 HydrophobicContact CB-CB 4.48Å; F234-D237 WeakPolarHBondContact CB-O 3.22Å; F234-D237 PolarHBondContact N-O 3.44Å; F234-R239 HydrophobicContact CD2-CG 4.39Å; F234-R239 HydrophobicContact CE2-CB 4.15Å; F234-R239 HydrophobicContact CE2-CG 4.22Å; F234-Y407 HydrophobicContact CE2-CD2 4.14Å; F234-Y407 AromaticContact CZ-CD2 3.78Å; F234-Y407 HydrophobicContact CZ-CD2 3.78Å; F234-Y407 HydrophobicContact CZ-CE2 4.12Å | ||
| 235 | Y | 85.8 | Confident | 81.4 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 68.4 | -49.9 | -179.5 | -47.7 | -86.3 | 0 | 0 | 0 | 113.3 | M38 K64 R66 G123 C187 Q217 N233 D237 | M38-Y235 WeakPolarHBondContact CE-O 3.46Å; K64-Y235 HydrophobicContact CB-CE1 4.2Å; K64-Y235 VanDerWaalsContact CB-OH 3.28Å; K64-Y235 WeakPolarHBondContact CB-OH 3.3Å; K64-Y235 WeakPolarHBondContact O-CE2 3.24Å; R66-Y235 HydrophobicContact CG-CE2 4.39Å; G123-Y235 PolarHBondContact O-OH 3.02Å; C187-Y235 HydrophobicContact CB-CE1 4.36Å; C187-Y235 WeakPolarHBondContact SG-CD1 3.39Å; C187-Y235 WeakPolarHBondContact SG-CE1 3.31Å; Q217-Y235 WeakPolarHBondContact CG-O 3.3Å; Q217-Y235 PolarHBondContact NE2-O 3.07Å; N233-Y235 WeakPolarHBondContact ND2-CD1 3.39Å; N233-Y235 VanDerWaalsContact ND2-CE1 3.32Å; N233-Y235 WeakPolarHBondContact ND2-CE1 3.43Å; N233-Y235 WeakPolarHBondContact OD1-CA 3.49Å; N233-Y235 PolarHBondContact OD1-N 2.89Å; Y235-D237 PolarHBondContact N-O 2.69Å |
| 236 | N | 81.1 | Confident | 81.2 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -86.9 | -14.6 | 173 | 69.3 | -2.6 | 0 | 0 | 0 | 115.2 | M38 V185 F234 R817 | M38-N236 HydrophobicContact CB-CB 4.3Å; M38-N236 WeakPolarHBondContact O-CB 3.37Å; M38-N236 PolarHBondContact O-ND2 3.37Å; M38-N236 VanDerWaalsContact O-ND2 3.14Å; V185-N236 HydrophobicContact CG1-CB 3.93Å; V185-N236 WeakPolarHBondContact CG1-ND2 3.35Å; F234-N236 PolarHBondContact O-N 2.93Å; F234-N236 PolarHBondContact O-OD1 3.03Å; N236-R817 PolarHBondContact ND2-NH1 3.07Å |
| 237 | D | 80.6 | Confident | 81.5 | Confident | 82 Ų | 82 | 44.9 Ų | 44.9 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -154.1 | 173.8 | -178.8 | -167 | 16.9 | 0 | 0 | 0 | 108.6 | F234 Y235 | F234-D237 CarbonylContact C-O 3.53Å; F234-D237 WeakPolarHBondContact CA-O 3.36Å; F234-D237 HydrophobicContact CB-CB 4.48Å; F234-D237 WeakPolarHBondContact CB-O 3.22Å; F234-D237 PolarHBondContact N-O 3.44Å; Y235-D237 PolarHBondContact N-O 2.69Å |
| 238 | L | 85.9 | Confident | 81.7 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.4 | 171.2 | 72.7 | 95.6 | 0 | 0 | 0 | 110.6 | Q217 P222 I232 R251 | Q217-L238 HydrophobicContact CB-CB 3.78Å; Q217-L238 HydrophobicContact CB-CD2 4.03Å; Q217-L238 WeakPolarHBondContact O-CD2 3.42Å; P222-L238 HydrophobicContact CB-CD1 4.03Å; P222-L238 HydrophobicContact CB-CD2 3.98Å; P222-L238 HydrophobicContact CG-CD1 3.75Å; P222-L238 HydrophobicContact CG-CD2 3.81Å; P222-L238 HydrophobicContact CG-CG 4.4Å; I232-L238 WeakPolarHBondContact O-CA 3.44Å; L238-R251 HydrophobicContact CD1-CG 3.91Å |
| 239 | R | 86.4 | Confident | 81.9 | Confident | 74 Ų | 74 | 36.3 Ų | 36.3 | 28% | 0.279 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 152.4 | 165.8 | -61.3 | -171.6 | -172.7 | 171.1 | 7.9 | 110.5 | I232 F234 S250 T408 | I232-R239 WeakPolarHBondContact CA-O 3.35Å; I232-R239 VanDerWaalsContact CB-O 3.29Å; I232-R239 WeakPolarHBondContact CB-O 3.26Å; I232-R239 PolarHBondContact N-O 2.91Å; I232-R239 PolarHBondContact O-N 2.9Å; F234-R239 HydrophobicContact CD2-CG 4.39Å; F234-R239 HydrophobicContact CE2-CB 4.15Å; F234-R239 HydrophobicContact CE2-CG 4.22Å; R239-S250 CarbonylContact C-O 3.6Å; R239-S250 WeakPolarHBondContact CA-O 3.41Å; R239-T408 PolarHBondContact NH1-OG1 2.85Å |
| 240 | C | 86.5 | Confident | 81.6 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.5 | 174.4 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | C223 C242 S250 R251 C252 | C223-C240 WeakPolarHBondContact CA-SG 3.38Å; C223-C240 HydrophobicContact CB-CB 3.74Å; C223-C240 WeakPolarHBondContact CB-SG 3.32Å; C223-C240 WeakPolarHBondContact SG-CB 3.34Å; C223-C240 CovalentContact SG-SG 2.02Å; C223-C240 PolarHBondContact SG-SG 2.91Å; C240-C242 PolarHBondContact O-N 2.92Å; C240-C242 VanDerWaalsContact O-N 3.09Å; C240-C242 PolarHBondContact O-SG 3.36Å; C240-C242 VanDerWaalsContact O-SG 3.34Å; C240-S250 PolarHBondContact N-O 3.34Å; C240-R251 VanDerWaalsContact SG-CA 3.59Å; C240-C252 WeakPolarHBondContact CB-SG 3.39Å |
| 241 | N | 85 | Confident | 81.4 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | trans | -79.5 | 91.7 | 174.5 | -178 | -0.1 | 0 | 0 | 0 | 109 | R230 I232 F243 Y407 | R230-N241 HydrophobicContact CB-CB 4.38Å; R230-N241 VanDerWaalsContact CZ-O 3.24Å; R230-N241 PolarHBondContact NE-O 3.47Å; R230-N241 VanDerWaalsContact NH2-CG 3.32Å; R230-N241 PolarHBondContact NH2-O 3.32Å; R230-N241 PolarHBondContact NH2-OD1 2.93Å; R230-N241 VanDerWaalsContact NH2-OD1 3.16Å; R230-N241 PolarHBondContact O-N 2.82Å; I232-N241 HydrophobicContact CG1-CB 4.46Å; N241-F243 PolarHBondContact OD1-N 2.64Å; N241-Y407 HydrophobicContact CB-CD1 3.8Å; N241-Y407 HydrophobicContact CB-CE1 4.16Å | ||
| 242 | C | 83.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -83.8 | -8.5 | -177.5 | -46.6 | 0 | 0 | 0 | 0 | 113.8 | C240 G244 S245 Y247 C252 Y404 | C240-C242 PolarHBondContact O-N 2.92Å; C240-C242 VanDerWaalsContact O-N 3.09Å; C240-C242 PolarHBondContact O-SG 3.36Å; C240-C242 VanDerWaalsContact O-SG 3.34Å; C242-G244 PolarHBondContact O-N 2.96Å; C242-S245 VanDerWaalsContact O-CB 3.31Å; C242-S245 WeakPolarHBondContact O-CB 3.37Å; C242-S245 PolarHBondContact O-N 3.25Å; C242-S245 VanDerWaalsContact O-N 3.07Å; C242-S245 PolarHBondContact O-OG 3.26Å; C242-Y247 WeakPolarHBondContact CB-O 3.09Å; C242-C252 WeakPolarHBondContact CA-SG 3.26Å; C242-C252 HydrophobicContact CB-CB 3.75Å; C242-C252 WeakPolarHBondContact CB-SG 3.33Å; C242-C252 WeakPolarHBondContact SG-CA 3.3Å; C242-C252 WeakPolarHBondContact SG-CB 3.23Å; C242-C252 PolarHBondContact SG-N 3.35Å; C242-C252 CovalentContact SG-SG 2.03Å; C242-C252 PolarHBondContact SG-SG 2.82Å; C242-Y404 HydrophobicContact CB-CE1 4.32Å; C242-Y404 WeakPolarHBondContact CB-OH 3.49Å | ||
| 243 | F | 81.9 | Confident | 79.9 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.057 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | 125.4 | -177.9 | -178.7 | -76 | 0 | 0 | 0 | 112.1 | R230 N241 S245 A282 V345 Y347 E402 Y404 | R230-F243 PolarHBondContact NH2-O 3.28Å; N241-F243 PolarHBondContact OD1-N 2.64Å; F243-S245 VanDerWaalsContact C-N 3.33Å; F243-A282 HydrophobicContact CD2-CB 3.48Å; F243-A282 VanDerWaalsContact CD2-CB 3.48Å; F243-A282 HydrophobicContact CE2-CB 3.55Å; F243-A282 HydrophobicContact CG-CB 4.16Å; F243-A282 HydrophobicContact CZ-CB 4.31Å; F243-V345 HydrophobicContact CZ-CG1 3.82Å; F243-Y347 AromaticContact CD1-CE1 3.92Å; F243-Y347 HydrophobicContact CD1-CE1 3.92Å; F243-Y347 AromaticContact CE1-CE1 3.4Å; F243-Y347 HydrophobicContact CE1-CE1 3.4Å; F243-Y347 AromaticContact CE1-CZ 3.58Å; F243-Y347 WeakPolarHBondContact CE1-OH 3.48Å; F243-Y347 HydrophobicContact CE2-CE1 4.21Å; F243-Y347 AromaticContact CZ-CE1 3.56Å; F243-Y347 HydrophobicContact CZ-CE1 3.56Å; F243-Y347 AromaticContact CZ-CZ 3.76Å; F243-Y347 WeakPolarHBondContact CZ-OH 3.35Å; F243-E402 HydrophobicContact CD2-CB 4.11Å; F243-E402 HydrophobicContact CE2-CB 3.85Å; F243-E402 WeakPolarHBondContact CE2-O 3.38Å; F243-Y404 HydrophobicContact CB-CD2 4.09Å; F243-Y404 HydrophobicContact CB-CE2 4.39Å; F243-Y404 HydrophobicContact CB-CG 4.43Å; F243-Y404 AromaticContact CD2-CD2 3.75Å; F243-Y404 HydrophobicContact CD2-CD2 3.75Å; F243-Y404 HydrophobicContact CD2-CE2 4.43Å; F243-Y404 HydrophobicContact CD2-CG 4.45Å; F243-Y404 HydrophobicContact CG-CD2 4.44Å |
| 244 | G | 74.4 | Confident | 78.9 | Confident | 51 Ų | 51 | 35.1 Ų | 35.1 | 53% | 0.526 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 6.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | C242 E402 | C242-G244 PolarHBondContact O-N 2.96Å; G244-E402 WeakPolarHBondContact CA-OE1 3.22Å; G244-E402 PolarHBondContact N-OE1 3.43Å |
| 245 | S | 75.7 | Confident | 78 | Confident | 35 Ų | 35 | 36.8 Ų | 36.8 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -19.2 | 175.1 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | C242 F243 Y247 | C242-S245 VanDerWaalsContact O-CB 3.31Å; C242-S245 WeakPolarHBondContact O-CB 3.37Å; C242-S245 PolarHBondContact O-N 3.25Å; C242-S245 VanDerWaalsContact O-N 3.07Å; C242-S245 PolarHBondContact O-OG 3.26Å; F243-S245 VanDerWaalsContact C-N 3.33Å; S245-Y247 VanDerWaalsContact C-N 3.26Å; S245-Y247 WeakPolarHBondContact O-CD2 3.36Å; S245-Y247 PolarHBondContact OG-N 3.46Å |
| 246 | G | 71.4 | Confident | 77.3 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 42% | 0.423 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 2.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G256 E402 | G246-G256 WeakPolarHBondContact O-CA 3.13Å; G246-G256 PolarHBondContact O-N 3.39Å; G246-E402 PolarHBondContact N-OE1 3.25Å |
| 247 | Y | 76.6 | Confident | 77 | Confident | 70 Ų | 70 | 36.7 Ų | 36.7 | 28% | 0.275 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 163.9 | 176.7 | -62.9 | -88.2 | 0 | 0 | 0 | 112.1 | H225 C242 S245 S254 D255 Y404 | H225-Y247 HydrophobicContact CB-CD1 4.16Å; H225-Y247 HydrophobicContact CB-CD2 3.38Å; H225-Y247 HydrophobicContact CB-CE1 4.27Å; H225-Y247 HydrophobicContact CB-CE2 3.51Å; H225-Y247 HydrophobicContact CB-CG 3.73Å; H225-Y247 AromaticContact CD2-CE1 3.9Å; H225-Y247 AromaticContact CD2-CZ 3.72Å; H225-Y247 AromaticContact CE1-CE1 3.79Å; H225-Y247 AromaticContact CG-CD1 3.78Å; H225-Y247 AromaticContact CG-CD2 3.87Å; H225-Y247 AromaticContact CG-CE1 3.66Å; H225-Y247 AromaticContact CG-CE2 3.76Å; H225-Y247 AromaticContact CG-CG 3.89Å; H225-Y247 AromaticContact CG-CZ 3.65Å; H225-Y247 AromaticContact ND1-CD1 3.47Å; H225-Y247 WeakPolarHBondContact ND1-CD1 3.47Å; H225-Y247 AromaticContact ND1-CE1 3.61Å; H225-Y247 AromaticContact ND1-CG 3.86Å; C242-Y247 WeakPolarHBondContact CB-O 3.09Å; S245-Y247 VanDerWaalsContact C-N 3.26Å; S245-Y247 WeakPolarHBondContact O-CD2 3.36Å; S245-Y247 PolarHBondContact OG-N 3.46Å; Y247-S254 CarbonylContact C-O 3.49Å; Y247-S254 WeakPolarHBondContact CA-O 3.12Å; Y247-S254 WeakPolarHBondContact CB-O 3.14Å; Y247-D255 VanDerWaalsContact CE1-OD1 3.23Å; Y247-D255 WeakPolarHBondContact CE1-OD1 3.35Å; Y247-Y404 PolarHBondContact O-OH 2.85Å |
| 248 | D | 75.7 | Confident | 77 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 175.2 | 179.9 | -157.8 | -18.1 | 0 | 0 | 0 | 110.1 | C252 E253 S254 K257 Y404 S409 | D248-C252 CarbonylContact O-C 3.47Å; D248-C252 WeakPolarHBondContact O-CA 3.16Å; D248-E253 PolarHBondContact O-N 3.41Å; D248-S254 VanDerWaalsContact C-OG 3.31Å; D248-S254 PolarHBondContact N-O 2.64Å; D248-S254 PolarHBondContact O-N 3.24Å; D248-S254 PolarHBondContact O-OG 2.82Å; D248-K257 HydrophobicContact CB-CD 4.27Å; D248-K257 HydrophobicContact CB-CG 4.4Å; D248-Y404 PolarHBondContact OD1-OH 2.86Å; D248-S409 VanDerWaalsContact CG-OG 3.3Å; D248-S409 WeakPolarHBondContact OD1-CB 3.26Å; D248-S409 PolarHBondContact OD1-OG 3.24Å; D248-S409 VanDerWaalsContact OD2-CB 3.31Å; D248-S409 WeakPolarHBondContact OD2-CB 3.41Å; D248-S409 PolarHBondContact OD2-OG 3.41Å |
| 249 | G | 72.7 | Confident | 77 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 106.5 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112 | R251 E253 | G249-R251 PolarHBondContact O-N 3.04Å; G249-E253 VanDerWaalsContact CA-OE2 3.26Å; G249-E253 WeakPolarHBondContact CA-OE2 3.49Å |
| 250 | S | 73.8 | Confident | 76.9 | Confident | 59 Ų | 59 | 29.8 Ų | 29.8 | 41% | 0.413 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -64.4 | -25.8 | -176.6 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | R239 C240 E253 | R239-S250 CarbonylContact C-O 3.6Å; R239-S250 WeakPolarHBondContact CA-O 3.41Å; C240-S250 PolarHBondContact N-O 3.34Å; S250-E253 PolarHBondContact N-OE1 3.12Å; S250-E253 PolarHBondContact N-OE2 3.32Å; S250-E253 PolarHBondContact OG-OE1 3.04Å |
| 251 | R | 79.2 | Confident | 76.7 | Confident | 67 Ų | 67 | 29.7 Ų | 29.7 | 25% | 0.253 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -130 | 11.8 | -173 | -70.8 | 167.6 | -179 | -150.5 | 6.4 | 112.8 | P222 C223 R224 L238 C240 G249 E253 | P222-R251 WeakPolarHBondContact O-CD 3.26Å; C223-R251 WeakPolarHBondContact CA-O 3.39Å; R224-R251 PolarHBondContact N-O 3.35Å; L238-R251 HydrophobicContact CD1-CG 3.91Å; C240-R251 VanDerWaalsContact SG-CA 3.59Å; G249-R251 PolarHBondContact O-N 3.04Å; R251-E253 VanDerWaalsContact C-N 3.27Å; R251-E253 VanDerWaalsContact CA-OE2 3.24Å; R251-E253 WeakPolarHBondContact CA-OE2 3.32Å; R251-E253 PolarHBondContact N-OE2 2.83Å |
| 252 | C | 75 | Confident | 76.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 61.5 | 35.9 | -174.1 | -32.9 | 0 | 0 | 0 | 0 | 112.7 | R224 H225 V226 C240 C242 D248 | R224-C252 WeakPolarHBondContact O-CB 3.45Å; H225-C252 PolarHBondContact ND1-O 3.03Å; V226-C252 HydrophobicContact CG1-CB 4.18Å; V226-C252 HydrophobicContact CG2-CB 4.49Å; C240-C252 WeakPolarHBondContact CB-SG 3.39Å; C242-C252 WeakPolarHBondContact CA-SG 3.26Å; C242-C252 HydrophobicContact CB-CB 3.75Å; C242-C252 WeakPolarHBondContact CB-SG 3.33Å; C242-C252 WeakPolarHBondContact SG-CA 3.3Å; C242-C252 WeakPolarHBondContact SG-CB 3.23Å; C242-C252 PolarHBondContact SG-N 3.35Å; C242-C252 CovalentContact SG-SG 2.03Å; C242-C252 PolarHBondContact SG-SG 2.82Å; D248-C252 CarbonylContact O-C 3.47Å; D248-C252 WeakPolarHBondContact O-CA 3.16Å |
| 253 | E | 71.2 | Confident | 76.1 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 27% | 0.271 | 20% | 0.203 | S | C | . | . | trans | -81 | -19 | -175.4 | 66.5 | -85 | -148 | 0 | 0 | 113.9 | D248 G249 S250 R251 P513 | D248-E253 PolarHBondContact O-N 3.41Å; G249-E253 VanDerWaalsContact CA-OE2 3.26Å; G249-E253 WeakPolarHBondContact CA-OE2 3.49Å; S250-E253 PolarHBondContact N-OE1 3.12Å; S250-E253 PolarHBondContact N-OE2 3.32Å; S250-E253 PolarHBondContact OG-OE1 3.04Å; R251-E253 VanDerWaalsContact C-N 3.27Å; R251-E253 VanDerWaalsContact CA-OE2 3.24Å; R251-E253 WeakPolarHBondContact CA-OE2 3.32Å; R251-E253 PolarHBondContact N-OE2 2.83Å; E253-P513 HydrophobicContact CB-CB 4.28Å; E253-P513 HydrophobicContact CG-CB 4.4Å | ||
| 254 | S | 66.2 | Low | 75.9 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 154.9 | -175.9 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | Y247 D248 | Y247-S254 CarbonylContact C-O 3.49Å; Y247-S254 WeakPolarHBondContact CA-O 3.12Å; Y247-S254 WeakPolarHBondContact CB-O 3.14Å; D248-S254 VanDerWaalsContact C-OG 3.31Å; D248-S254 PolarHBondContact N-O 2.64Å; D248-S254 PolarHBondContact O-N 3.24Å; D248-S254 PolarHBondContact O-OG 2.82Å |
| 255 | D | 69.1 | Low | 76.4 | Confident | 85 Ų | 85 | 35.1 Ų | 35.1 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 149.1 | 176.7 | -74.8 | -43.9 | 0 | 0 | 0 | 113 | Y247 K257 | Y247-D255 VanDerWaalsContact CE1-OD1 3.23Å; Y247-D255 WeakPolarHBondContact CE1-OD1 3.35Å; D255-K257 WeakPolarHBondContact O-CG 3.47Å |
| 256 | G | 71 | Confident | 76.8 | Confident | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 136.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G246 | G246-G256 WeakPolarHBondContact O-CA 3.13Å; G246-G256 PolarHBondContact O-N 3.39Å |
| 257 | K | 74.5 | Confident | 77.7 | Confident | 23 Ų | 23 | 33.1 Ų | 33.1 | 10% | 0.1 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -102.1 | 151.8 | -163.5 | -66.8 | 170.7 | 169.8 | 175 | 0 | 112.4 | D248 D255 V411 I415 H450 F451 | D248-K257 HydrophobicContact CB-CD 4.27Å; D248-K257 HydrophobicContact CB-CG 4.4Å; D255-K257 WeakPolarHBondContact O-CG 3.47Å; K257-V411 HydrophobicContact CB-CB 4.37Å; K257-V411 HydrophobicContact CB-CG1 3.42Å; K257-V411 VanDerWaalsContact CB-CG1 3.42Å; K257-I415 HydrophobicContact CD-CD1 4.11Å; K257-H450 WeakPolarHBondContact CE-O 3.17Å; K257-H450 PolarHBondContact NZ-O 3.08Å; K257-F451 HydrophobicContact CB-CE1 3.59Å; K257-F451 HydrophobicContact CB-CZ 4.02Å; K257-F451 HydrophobicContact CD-CD1 3.57Å; K257-F451 HydrophobicContact CD-CE1 3.41Å; K257-F451 VanDerWaalsContact CD-CE1 3.41Å; K257-F451 HydrophobicContact CD-CZ 4.39Å; K257-F451 VanDerWaalsContact CE-CD1 3.48Å; K257-F451 HydrophobicContact CG-CD1 3.94Å; K257-F451 HydrophobicContact CG-CE1 3.29Å; K257-F451 HydrophobicContact CG-CZ 3.83Å |
| 258 | A | 81.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I400 K401 G431 | A258-I400 CarbonylContact C-O 3.53Å; A258-I400 VanDerWaalsContact CA-O 3.24Å; A258-I400 WeakPolarHBondContact CA-O 3.32Å; A258-K401 HydrophobicContact CB-CD 4.43Å; A258-K401 HydrophobicContact CB-CG 3.78Å; A258-G431 PolarHBondContact O-N 3.02Å |
| 259 | L | 85.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.6 | 176.6 | -58.8 | 173 | 0 | 0 | 0 | 109.9 | F261 L267 C399 I400 V411 A414 I415 I428 I430 | L259-F261 HydrophobicContact CB-CE2 4.18Å; L259-L267 HydrophobicContact CD1-CD2 4.06Å; L259-C399 CarbonylContact O-C 3.58Å; L259-I400 PolarHBondContact N-O 3.43Å; L259-I400 PolarHBondContact O-N 2.83Å; L259-V411 HydrophobicContact CD1-CB 4.41Å; L259-V411 HydrophobicContact CD1-CG1 4.22Å; L259-V411 HydrophobicContact CD1-CG2 4.12Å; L259-V411 HydrophobicContact CD2-CG1 4.33Å; L259-V411 HydrophobicContact CG-CG1 3.91Å; L259-V411 HydrophobicContact CG-CG2 4.29Å; L259-A414 HydrophobicContact CD1-CB 3.83Å; L259-I415 HydrophobicContact CD2-CG2 4Å; L259-I428 HydrophobicContact CB-CD1 3.84Å; L259-I428 HydrophobicContact CB-CG1 4.28Å; L259-I428 HydrophobicContact CD1-CD1 4.18Å; L259-I428 HydrophobicContact CD2-CG2 4.04Å; L259-I428 HydrophobicContact CG-CD1 4.41Å; L259-I430 HydrophobicContact CD2-CG1 4.36Å |
| 260 | F | 83.7 | Confident | 80.1 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.3 | 174.7 | 173.1 | -92 | 0 | 0 | 0 | 111 | D262 I428 T429 G431 E437 | F260-D262 HydrophobicContact CE1-CB 4.01Å; F260-I428 VanDerWaalsContact O-CG1 3.23Å; F260-I428 WeakPolarHBondContact O-CG1 3.42Å; F260-T429 HydrophobicContact CB-CG2 4.38Å; F260-T429 PolarHBondContact N-O 2.04Å; F260-T429 PolarHBondContact O-N 3.12Å; F260-G431 WeakPolarHBondContact CB-O 3.15Å; F260-E437 HydrophobicContact CE1-CB 4.19Å |
| 261 | F | 82.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.9 | 175.8 | -68.8 | -110.6 | 0 | 0 | 0 | 109.4 | L259 Q265 L267 V386 F396 V397 G398 I400 I428 | L259-F261 HydrophobicContact CB-CE2 4.18Å; F261-Q265 VanDerWaalsContact CA-OE1 3.31Å; F261-Q265 HydrophobicContact CD1-CB 3.8Å; F261-Q265 HydrophobicContact CE1-CB 4.12Å; F261-L267 HydrophobicContact CE1-CB 4.27Å; F261-L267 HydrophobicContact CZ-CB 4Å; F261-V386 HydrophobicContact CE1-CG1 4.5Å; F261-V386 HydrophobicContact CZ-CG1 4.1Å; F261-F396 HydrophobicContact CB-CD1 3.73Å; F261-F396 HydrophobicContact CB-CE1 3.97Å; F261-F396 HydrophobicContact CD1-CD1 4.34Å; F261-F396 HydrophobicContact CD2-CD1 4.09Å; F261-F396 AromaticContact CD2-CE1 3.85Å; F261-F396 HydrophobicContact CD2-CE1 3.85Å; F261-F396 AromaticContact CG-CD1 3.82Å; F261-F396 HydrophobicContact CG-CD1 3.82Å; F261-F396 HydrophobicContact CG-CE1 4.02Å; F261-V397 WeakPolarHBondContact O-CA 3.45Å; F261-G398 PolarHBondContact N-O 3.45Å; F261-G398 PolarHBondContact O-N 3.45Å; F261-I400 HydrophobicContact CD2-CD1 3.86Å; F261-I400 HydrophobicContact CD2-CG1 3.93Å; F261-I400 HydrophobicContact CE2-CB 4.14Å; F261-I400 HydrophobicContact CE2-CD1 3.32Å; F261-I400 HydrophobicContact CE2-CG1 3.69Å; F261-I400 HydrophobicContact CZ-CD1 3.89Å; F261-I428 HydrophobicContact CD1-CD1 4.2Å; F261-I428 HydrophobicContact CD2-CD1 3.92Å; F261-I428 HydrophobicContact CE1-CD1 3.82Å; F261-I428 HydrophobicContact CE2-CD1 3.5Å; F261-I428 VanDerWaalsContact CE2-CD1 3.5Å; F261-I428 HydrophobicContact CG-CD1 4.25Å; F261-I428 HydrophobicContact CZ-CD1 3.44Å; F261-I428 VanDerWaalsContact CZ-CD1 3.44Å |
| 262 | D | 77.3 | Confident | 80.8 | Confident | 50 Ų | 50 | 34 Ų | 34 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 5.5 | 174.8 | 85.3 | -31.5 | 0 | 0 | 0 | 113 | F260 K264 Q265 | F260-D262 HydrophobicContact CE1-CB 4.01Å; D262-K264 VanDerWaalsContact OD1-CB 3.24Å; D262-K264 WeakPolarHBondContact OD1-CB 3.44Å; D262-K264 WeakPolarHBondContact OD1-CG 3.26Å; D262-K264 PolarHBondContact OD1-N 2.9Å; D262-K264 WeakPolarHBondContact OD2-CD 3.36Å; D262-K264 WeakPolarHBondContact OD2-CE 3.29Å; D262-K264 IonicContact OD2-NZ 3.49Å; D262-K264 PolarHBondContact OD2-NZ 2.94Å; D262-Q265 PolarHBondContact OD1-NE2 2.92Å; D262-Q265 PolarHBondContact OD1-OE1 2.86Å |
| 263 | G | 78.2 | Confident | 80.8 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 91.4 | -3.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N395 F396 | G263-N395 WeakPolarHBondContact O-CB 3.34Å; G263-N395 PolarHBondContact O-ND2 3.3Å; G263-F396 WeakPolarHBondContact CA-O 3.49Å; G263-F396 PolarHBondContact N-O 2.83Å |
| 264 | K | 79.1 | Confident | 80.8 | Confident | 125 Ų | 125 | 39.2 Ų | 39.2 | 54% | 0.543 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -99.8 | -22.1 | 174.9 | -54.9 | 177.6 | -167.4 | 117 | 0 | 113.2 | D262 M388 H426 | D262-K264 VanDerWaalsContact OD1-CB 3.24Å; D262-K264 WeakPolarHBondContact OD1-CB 3.44Å; D262-K264 WeakPolarHBondContact OD1-CG 3.26Å; D262-K264 PolarHBondContact OD1-N 2.9Å; D262-K264 WeakPolarHBondContact OD2-CD 3.36Å; D262-K264 WeakPolarHBondContact OD2-CE 3.29Å; D262-K264 IonicContact OD2-NZ 3.49Å; D262-K264 PolarHBondContact OD2-NZ 2.94Å; K264-M388 WeakPolarHBondContact O-CE 3.47Å; K264-H426 PolarHBondContact O-ND1 2.75Å |
| 265 | Q | 83.5 | Confident | 81.3 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | trans | -79.4 | 149.4 | -176.4 | -55.1 | 78.6 | 8.5 | 0 | 0 | 112.6 | F261 D262 M388 K425 P427 I428 | F261-Q265 VanDerWaalsContact CA-OE1 3.31Å; F261-Q265 HydrophobicContact CD1-CB 3.8Å; F261-Q265 HydrophobicContact CE1-CB 4.12Å; D262-Q265 PolarHBondContact OD1-NE2 2.92Å; D262-Q265 PolarHBondContact OD1-OE1 2.86Å; Q265-M388 PolarHBondContact O-N 2.72Å; Q265-K425 VanDerWaalsContact CA-O 3.32Å; Q265-K425 WeakPolarHBondContact CA-O 3.48Å; Q265-P427 VanDerWaalsContact CG-O 3.28Å; Q265-P427 WeakPolarHBondContact CG-O 3.36Å; Q265-P427 PolarHBondContact NE2-O 2.04Å; Q265-I428 HydrophobicContact CB-CD1 4.37Å; Q265-I428 HydrophobicContact CB-CG1 4.41Å; Q265-I428 HydrophobicContact CG-CB 4.03Å; Q265-I428 HydrophobicContact CG-CG1 4.02Å | ||
| 266 | Q | 85.7 | Confident | 82 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 15% | 0.154 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 113.3 | 169.1 | 174.4 | -171.4 | 10 | 0 | 0 | 107.3 | Q385 V386 M388 I424 K425 | Q266-Q385 HydrophobicContact CG-CG 3.78Å; Q266-V386 WeakPolarHBondContact CA-O 3.22Å; Q266-M388 HydrophobicContact CB-CB 4.43Å; Q266-M388 VanDerWaalsContact CG-O 3.27Å; Q266-M388 WeakPolarHBondContact CG-O 3.49Å; Q266-I424 WeakPolarHBondContact O-CA 3.41Å; Q266-K425 HydrophobicContact CB-CB 4Å; Q266-K425 HydrophobicContact CB-CD 4.43Å; Q266-K425 PolarHBondContact N-O 2.9Å; Q266-K425 PolarHBondContact O-N 3.38Å |
| 267 | L | 89.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.9 | 171.5 | 170.4 | 58.6 | 0 | 0 | 0 | 108.4 | L259 F261 Q385 V386 F403 I410 A414 T422 I424 | L259-L267 HydrophobicContact CD1-CD2 4.06Å; F261-L267 HydrophobicContact CE1-CB 4.27Å; F261-L267 HydrophobicContact CZ-CB 4Å; L267-Q385 CarbonylContact O-C 3.6Å; L267-Q385 VanDerWaalsContact O-CA 3.29Å; L267-Q385 WeakPolarHBondContact O-CA 3.48Å; L267-V386 PolarHBondContact N-O 3.07Å; L267-V386 PolarHBondContact O-N 3.47Å; L267-F403 HydrophobicContact CD2-CD1 4.29Å; L267-F403 HydrophobicContact CD2-CE1 4.2Å; L267-I410 HydrophobicContact CD2-CG2 4.34Å; L267-A414 HydrophobicContact CD1-CB 3.57Å; L267-A414 HydrophobicContact CD2-CB 3.93Å; L267-A414 HydrophobicContact CG-CB 4.43Å; L267-T422 HydrophobicContact CD1-CG2 4.16Å; L267-I424 HydrophobicContact CD1-CG1 4Å |
| 268 | L | 90.8 | Very high | 83.4 | Confident | 25 Ų | 25 | 34 Ų | 34 | 13% | 0.131 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 111.6 | 176.7 | 178.1 | 67.1 | 0 | 0 | 0 | 109.7 | Q385 T422 R423 | L268-Q385 HydrophobicContact CD1-CB 3.99Å; L268-Q385 HydrophobicContact CD1-CG 4.42Å; L268-T422 CarbonylContact O-C 3.5Å; L268-T422 VanDerWaalsContact O-CA 3.32Å; L268-T422 WeakPolarHBondContact O-CA 3.45Å; L268-R423 PolarHBondContact N-O 3.44Å; L268-R423 PolarHBondContact O-N 3.38Å |
| 269 | Y | 92.7 | Very high | 83.6 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120.9 | 170.1 | 176.3 | -123.7 | 0 | 0 | 0 | 110.1 | L271 S383 I384 V405 I410 K413 N421 T422 | Y269-L271 HydrophobicContact CD1-CD1 3.67Å; Y269-L271 HydrophobicContact CD1-CG 4.2Å; Y269-L271 HydrophobicContact CE1-CD1 3.72Å; Y269-L271 HydrophobicContact CE1-CG 3.7Å; Y269-S383 CarbonylContact O-C 3.54Å; Y269-S383 WeakPolarHBondContact O-CA 3.25Å; Y269-S383 WeakPolarHBondContact O-CB 3.34Å; Y269-I384 HydrophobicContact CD1-CD1 4.41Å; Y269-I384 PolarHBondContact N-O 2.91Å; Y269-I384 PolarHBondContact O-N 2.83Å; Y269-V405 HydrophobicContact CD1-CG2 4.22Å; Y269-V405 HydrophobicContact CE1-CB 4.4Å; Y269-V405 HydrophobicContact CE1-CG2 4.12Å; Y269-I410 HydrophobicContact CD1-CD1 3.55Å; Y269-I410 HydrophobicContact CD1-CG1 4.19Å; Y269-I410 HydrophobicContact CD1-CG2 4.49Å; Y269-I410 HydrophobicContact CD2-CD1 4.17Å; Y269-I410 HydrophobicContact CE1-CD1 3.41Å; Y269-I410 VanDerWaalsContact CE1-CD1 3.41Å; Y269-I410 HydrophobicContact CE1-CG1 4.43Å; Y269-I410 HydrophobicContact CE2-CD1 4.06Å; Y269-I410 HydrophobicContact CG-CD1 3.93Å; Y269-I410 HydrophobicContact CG-CG2 4.08Å; Y269-K413 HydrophobicContact CD2-CD 4.49Å; Y269-K413 HydrophobicContact CE2-CD 3.82Å; Y269-N421 HydrophobicContact CD2-CB 4.35Å; Y269-N421 HydrophobicContact CE2-CB 4.11Å; Y269-T422 HydrophobicContact CD2-CG2 3.76Å; Y269-T422 HydrophobicContact CG-CG2 4.4Å |
| 270 | R | 91.6 | Very high | 83.7 | Confident | 97 Ų | 97 | 38.9 Ų | 38.9 | 37% | 0.366 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 137.3 | 171.4 | -66.2 | -171.4 | 177.5 | 82.9 | -0.5 | 110.6 | K382 N421 | R270-K382 WeakPolarHBondContact CA-O 3.4Å; R270-N421 PolarHBondContact N-O 3.27Å; R270-N421 WeakPolarHBondContact O-CB 3.02Å |
| 271 | L | 88.5 | Confident | 84 | Confident | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -94.7 | 133 | 178.4 | -70.2 | 74.3 | 0 | 0 | 0 | 109.2 | Y269 N275 P278 L381 K382 I384 V405 | Y269-L271 HydrophobicContact CD1-CD1 3.67Å; Y269-L271 HydrophobicContact CD1-CG 4.2Å; Y269-L271 HydrophobicContact CE1-CD1 3.72Å; Y269-L271 HydrophobicContact CE1-CG 3.7Å; L271-N275 WeakPolarHBondContact CD2-O 3.44Å; L271-P278 HydrophobicContact CD2-CG 4.01Å; L271-L381 HydrophobicContact CD1-CD2 3.74Å; L271-L381 HydrophobicContact CD2-CD2 3.92Å; L271-L381 HydrophobicContact CG-CD2 4.38Å; L271-K382 PolarHBondContact N-O 2.95Å; L271-I384 HydrophobicContact CD1-CD1 4.07Å; L271-I384 HydrophobicContact CD1-CG1 4.06Å; L271-V405 HydrophobicContact CD2-CG1 4.27Å |
| 272 | K | 80.8 | Confident | 84.3 | Confident | 97 Ų | 97 | 38.1 Ų | 38.1 | 42% | 0.422 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 155.1 | 166 | -68.5 | -176.9 | 175.9 | -175.3 | 0 | 109.8 | E274 N275 S276 | K272-E274 VanDerWaalsContact C-N 3.29Å; K272-E274 HydrophobicContact CB-CG 4.1Å; K272-E274 WeakPolarHBondContact CD-OE1 3.37Å; K272-E274 IonicContact NZ-OE1 2.71Å; K272-E274 PolarHBondContact O-N 3.31Å; K272-N275 CarbonylContact O-C 3.59Å; K272-N275 WeakPolarHBondContact O-CA 3.27Å; K272-N275 PolarHBondContact O-N 2.87Å; K272-S276 PolarHBondContact O-N 3.04Å |
| 273 | E | 73.3 | Confident | 84.7 | Confident | 108 Ų | 108 | 35.8 Ų | 35.8 | 51% | 0.505 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -55 | -40.5 | -180 | -166 | 172.7 | -178.5 | 0 | 0 | 113.2 | Y95 N275 S276 | Y95-E273 HydrophobicContact CE1-CG 3.8Å; Y95-E273 PolarHBondContact OH-OE1 2.82Å; E273-N275 PolarHBondContact O-N 3.34Å; E273-S276 PolarHBondContact O-N 3.13Å; E273-S276 PolarHBondContact O-OG 3.32Å |
| 274 | E | 72.6 | Confident | 84.9 | Confident | 58 Ų | 58 | 36.6 Ų | 36.6 | 27% | 0.271 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -59.8 | -25.7 | 174.7 | 70.7 | -156.5 | 170.6 | 0 | 0 | 113.2 | N68 K272 Y818 | N68-E274 PolarHBondContact ND2-O 2.92Å; K272-E274 VanDerWaalsContact C-N 3.29Å; K272-E274 HydrophobicContact CB-CG 4.1Å; K272-E274 WeakPolarHBondContact CD-OE1 3.37Å; K272-E274 IonicContact NZ-OE1 2.71Å; K272-E274 PolarHBondContact O-N 3.31Å; E274-Y818 PolarHBondContact OE2-OH 2.85Å |
| 275 | N | 77 | Confident | 85 | Confident | 53 Ų | 53 | 30.8 Ų | 30.8 | 28% | 0.283 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -109.9 | 4.6 | -178.9 | -59 | -68.5 | 0 | 0 | 0 | 113.2 | L271 K272 E273 Q277 | L271-N275 WeakPolarHBondContact CD2-O 3.44Å; K272-N275 CarbonylContact O-C 3.59Å; K272-N275 WeakPolarHBondContact O-CA 3.27Å; K272-N275 PolarHBondContact O-N 2.87Å; E273-N275 PolarHBondContact O-N 3.34Å; N275-Q277 PolarHBondContact O-N 2.8Å |
| 276 | S | 83.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -77.4 | 7.9 | -167.6 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | Y95 K272 E273 I380 L381 | Y95-S276 WeakPolarHBondContact CE1-OG 3.42Å; K272-S276 PolarHBondContact O-N 3.04Å; E273-S276 PolarHBondContact O-N 3.13Å; E273-S276 PolarHBondContact O-OG 3.32Å; S276-I380 WeakPolarHBondContact OG-CG2 3.45Å; S276-L381 VanDerWaalsContact CB-O 3.3Å; S276-L381 WeakPolarHBondContact CB-O 3.39Å; S276-L381 VanDerWaalsContact O-CB 3.29Å; S276-L381 WeakPolarHBondContact O-CB 3.01Å; S276-L381 PolarHBondContact O-N 3.26Å |
| 277 | Q | 86.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -130.5 | 62.8 | 174.1 | -58.9 | -58 | -6.4 | 0 | 0 | 111.5 | N68 Y95 K96 N275 Y352 L379 | N68-Q277 HydrophobicContact CB-CB 4.43Å; Y95-Q277 HydrophobicContact CD1-CG 4.19Å; Y95-Q277 HydrophobicContact CG-CG 4.49Å; K96-Q277 HydrophobicContact CD-CB 4.03Å; K96-Q277 WeakPolarHBondContact CE-O 3.41Å; K96-Q277 HydrophobicContact CG-CB 4.07Å; N275-Q277 PolarHBondContact O-N 2.8Å; Q277-Y352 WeakPolarHBondContact CA-OH 3.07Å; Q277-Y352 HydrophobicContact CB-CE2 4.06Å; Q277-Y352 PolarHBondContact OE1-OH 2.92Å; Q277-L379 PolarHBondContact NE2-O 3.28Å; Q277-L379 PolarHBondContact OE1-O 3.27Å |
| 278 | P | 88.5 | Confident | 83 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | trans | -68.6 | 135.7 | -177.8 | 30.1 | -35.3 | 0 | 0 | 0 | 111.4 | L271 R280 F350 Y352 L381 V405 D406 | L271-P278 HydrophobicContact CD2-CG 4.01Å; P278-R280 VanDerWaalsContact C-N 3.3Å; P278-R280 PolarHBondContact O-N 3.37Å; P278-F350 WeakPolarHBondContact O-CD2 3.35Å; P278-Y352 WeakPolarHBondContact CD-OH 3.47Å; P278-Y352 WeakPolarHBondContact O-CE2 3.37Å; P278-Y352 PolarHBondContact O-OH 3.2Å; P278-L381 HydrophobicContact CG-CD1 3.7Å; P278-V405 HydrophobicContact CB-CG1 3.59Å; P278-V405 HydrophobicContact CG-CG1 4Å; P278-D406 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 279 | S | 85.8 | Confident | 81.4 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -70.4 | -26.4 | 177.2 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | K96 F350 D406 | K96-S279 PolarHBondContact NZ-OG 3.19Å; S279-F350 PolarHBondContact O-N 3.39Å; S279-D406 WeakPolarHBondContact CA-OD1 3.4Å; S279-D406 WeakPolarHBondContact CB-OD1 3.43Å; S279-D406 PolarHBondContact N-OD1 2.89Å; S279-D406 PolarHBondContact N-OD2 2.82Å; S279-D406 VanDerWaalsContact N-OD2 3.17Å |
| 280 | R | 88 | Confident | 79.6 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 149 | 179.4 | 61.5 | -172.1 | -70.3 | 163.2 | -2 | 113.7 | P278 I348 D406 | P278-R280 VanDerWaalsContact C-N 3.3Å; P278-R280 PolarHBondContact O-N 3.37Å; R280-I348 CarbonylContact C-O 3.59Å; R280-I348 VanDerWaalsContact CA-O 3.27Å; R280-I348 WeakPolarHBondContact CA-O 3.25Å; R280-D406 WeakPolarHBondContact CG-OD1 3.44Å; R280-D406 PolarHBondContact N-OD1 3.26Å; R280-D406 PolarHBondContact O-N 3.08Å |
| 281 | I | 90.5 | Very high | 77.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.4 | 158.2 | -63.7 | 161.8 | 0 | 0 | 0 | 106.9 | M296 I298 Y347 I348 F350 I384 F403 Y404 V405 | I281-M296 HydrophobicContact CG2-CE 4.34Å; I281-M296 HydrophobicContact CG2-SD 4.43Å; I281-I298 HydrophobicContact CD1-CD1 3.51Å; I281-I298 HydrophobicContact CD1-CG1 4.4Å; I281-Y347 CarbonylContact O-C 3.52Å; I281-Y347 WeakPolarHBondContact O-CA 3.32Å; I281-I348 HydrophobicContact CB-CB 4.25Å; I281-I348 HydrophobicContact CB-CD1 4.3Å; I281-I348 HydrophobicContact CB-CG1 4.45Å; I281-I348 HydrophobicContact CD1-CD1 4.41Å; I281-I348 HydrophobicContact CG2-CD1 4.41Å; I281-I348 PolarHBondContact N-O 2.88Å; I281-I348 PolarHBondContact O-N 3.35Å; I281-F350 HydrophobicContact CB-CE2 4.5Å; I281-F350 HydrophobicContact CD1-CE2 3.63Å; I281-F350 HydrophobicContact CD1-CZ 3.84Å; I281-F350 HydrophobicContact CG1-CE2 3.89Å; I281-I384 HydrophobicContact CD1-CD1 3.43Å; I281-I384 VanDerWaalsContact CD1-CD1 3.43Å; I281-I384 HydrophobicContact CD1-CG1 4.01Å; I281-I384 HydrophobicContact CG1-CD1 3.87Å; I281-F403 HydrophobicContact CG2-CD2 4.47Å; I281-F403 HydrophobicContact CG2-CE2 3.9Å; I281-Y404 WeakPolarHBondContact CA-O 3.3Å; I281-V405 HydrophobicContact CG1-CG2 4.29Å |
| 282 | A | 88 | Confident | 76 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.3 | 176 | 0 | 0 | 0 | 0 | 0 | 108.9 | F243 L346 Y347 F403 Y404 | F243-A282 HydrophobicContact CD2-CB 3.48Å; F243-A282 VanDerWaalsContact CD2-CB 3.48Å; F243-A282 HydrophobicContact CE2-CB 3.55Å; F243-A282 HydrophobicContact CG-CB 4.16Å; F243-A282 HydrophobicContact CZ-CB 4.31Å; A282-L346 WeakPolarHBondContact CA-O 3.28Å; A282-Y347 HydrophobicContact CB-CD1 3.64Å; A282-Y347 HydrophobicContact CB-CE1 3.96Å; A282-F403 CarbonylContact O-C 3.52Å; A282-F403 WeakPolarHBondContact O-CA 3.26Å; A282-Y404 PolarHBondContact N-O 2.81Å; A282-Y404 PolarHBondContact O-N 3.16Å |
| 283 | I | 86.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 129 | 179.9 | -170.2 | 165.3 | 0 | 0 | 0 | 109.7 | F295 M296 V345 L346 V386 I400 F403 | I283-F295 HydrophobicContact CD1-CE1 4.42Å; I283-F295 HydrophobicContact CD1-CZ 3.79Å; I283-F295 HydrophobicContact CG1-CZ 4.33Å; I283-F295 HydrophobicContact CG2-CE1 4.13Å; I283-F295 HydrophobicContact CG2-CZ 4.25Å; I283-M296 HydrophobicContact CB-CE 4.47Å; I283-M296 HydrophobicContact CD1-CE 3.77Å; I283-M296 HydrophobicContact CG2-CE 3.91Å; I283-V345 CarbonylContact O-C 3.54Å; I283-V345 WeakPolarHBondContact O-CA 3.27Å; I283-L346 HydrophobicContact CG2-CB 3.7Å; I283-L346 HydrophobicContact CG2-CD2 4.03Å; I283-L346 HydrophobicContact CG2-CG 4.39Å; I283-L346 PolarHBondContact N-O 3Å; I283-L346 PolarHBondContact O-N 3.43Å; I283-V386 HydrophobicContact CD1-CG1 4.5Å; I283-I400 HydrophobicContact CD1-CD1 4.06Å; I283-I400 HydrophobicContact CD1-CG2 3.65Å; I283-I400 HydrophobicContact CG1-CG2 3.72Å; I283-F403 HydrophobicContact CB-CB 4.46Å; I283-F403 HydrophobicContact CB-CD2 4.03Å; I283-F403 HydrophobicContact CB-CG 4.42Å; I283-F403 HydrophobicContact CD1-CB 3.97Å; I283-F403 HydrophobicContact CD1-CD1 3.93Å; I283-F403 HydrophobicContact CD1-CD2 3.77Å; I283-F403 HydrophobicContact CD1-CE1 4.41Å; I283-F403 HydrophobicContact CD1-CE2 4.27Å; I283-F403 HydrophobicContact CD1-CG 3.6Å; I283-F403 HydrophobicContact CG1-CB 3.89Å; I283-F403 HydrophobicContact CG1-CD2 4.11Å; I283-F403 HydrophobicContact CG1-CG 4Å |
| 284 | T | 81.4 | Confident | 75.4 | Confident | 28 Ų | 28 | 34.5 Ų | 34.5 | 17% | 0.172 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.9 | 171.9 | -63.2 | 0 | 0 | 0 | 0 | 107.2 | V345 K401 E402 | T284-V345 HydrophobicContact CG2-CG2 4.21Å; T284-K401 CarbonylContact C-O 3.57Å; T284-K401 WeakPolarHBondContact CA-O 3.25Å; T284-K401 WeakPolarHBondContact CB-O 3.35Å; T284-K401 HydrophobicContact CG2-CB 4.3Å; T284-K401 PolarHBondContact N-O 2.75Å; T284-K401 CarbonylContact O-C 3.55Å; T284-K401 PolarHBondContact O-N 3.42Å; T284-E402 PolarHBondContact OG1-OE2 3.07Å |
| 285 | A | 82.1 | Confident | 75.8 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 157.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F295 A343 F344 F396 C399 I400 | A285-F295 HydrophobicContact CB-CE2 4.32Å; A285-F295 HydrophobicContact CB-CZ 4.1Å; A285-A343 CarbonylContact O-C 3.55Å; A285-A343 WeakPolarHBondContact O-CA 3.44Å; A285-F344 HydrophobicContact CB-CD1 4.38Å; A285-F344 HydrophobicContact CB-CE1 3.68Å; A285-F344 HydrophobicContact CB-CE2 4.04Å; A285-F344 HydrophobicContact CB-CZ 3.49Å; A285-F344 VanDerWaalsContact CB-CZ 3.49Å; A285-F344 PolarHBondContact N-O 3.33Å; A285-F344 WeakPolarHBondContact O-CD1 3.46Å; A285-F344 PolarHBondContact O-N 3.15Å; A285-F344 VanDerWaalsContact O-O 3.12Å; A285-F396 HydrophobicContact CB-CZ 4.33Å; A285-C399 CarbonylContact C-O 3.47Å; A285-C399 WeakPolarHBondContact CA-O 3.42Å; A285-C399 VanDerWaalsContact CB-O 3.27Å; A285-C399 WeakPolarHBondContact CB-O 3.19Å; A285-I400 HydrophobicContact CB-CG1 4.26Å |
| 286 | T | 78 | Confident | 76.3 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 15% | 0.153 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.9 | 166.2 | 71.1 | 0 | 0 | 0 | 0 | 108.7 | N288 A343 F396 G398 C399 D435 | T286-N288 PolarHBondContact OG1-OD1 2.85Å; T286-A343 HydrophobicContact CG2-CB 3.96Å; T286-F396 WeakPolarHBondContact O-CE2 3.46Å; T286-F396 VanDerWaalsContact O-CZ 3.27Å; T286-F396 WeakPolarHBondContact O-CZ 3.48Å; T286-G398 WeakPolarHBondContact O-CA 3.48Å; T286-C399 HydrophobicContact CG2-CB 4.42Å; T286-C399 PolarHBondContact N-O 3.02Å; T286-C399 PolarHBondContact O-N 2.85Å; T286-C399 VanDerWaalsContact OG1-CB 3.28Å; T286-C399 WeakPolarHBondContact OG1-CB 3.09Å; T286-C399 PolarHBondContact OG1-N 2.87Å; T286-D435 PolarHBondContact OG1-OD1 3.01Å |
| 287 | N | 71.8 | Confident | 76.5 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | trans | -112.3 | 113.4 | 174.1 | 173.7 | 43 | 0 | 0 | 0 | 110.4 | A289 L315 S342 F344 F396 V397 | N287-A289 PolarHBondContact ND2-O 3.11Å; N287-A289 PolarHBondContact OD1-N 3.13Å; N287-L315 HydrophobicContact CB-CD1 4.26Å; N287-S342 PolarHBondContact N-O 2.79Å; N287-S342 WeakPolarHBondContact O-CB 3.42Å; N287-S342 PolarHBondContact O-OG 3.39Å; N287-F344 HydrophobicContact CB-CE1 4.05Å; N287-F396 HydrophobicContact CB-CE2 4.35Å; N287-V397 PolarHBondContact OD1-O 2.85Å | ||
| 288 | N | 65.9 | Low | 76.5 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 16% | 0.163 | S | C | . | . | trans | -96.4 | -3.3 | -171.8 | -60.8 | -2 | 0 | 0 | 0 | 112.2 | T286 V397 D435 | T286-N288 PolarHBondContact OG1-OD1 2.85Å; N288-V397 PolarHBondContact N-O 3.2Å; N288-D435 WeakPolarHBondContact ND2-CA 3.36Å; N288-D435 WeakPolarHBondContact ND2-CB 3.38Å; N288-D435 PolarHBondContact ND2-O 3.46Å; N288-D435 PolarHBondContact ND2-OD1 2.03Å; N288-D435 PolarHBondContact OD1-OD1 3.33Å | ||
| 289 | A | 57.6 | Low | 76.5 | Confident | 21 Ų | 21 | 29.4 Ų | 29.4 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | trans | -104.5 | 141.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | N287 H293 V397 | N287-A289 PolarHBondContact ND2-O 3.11Å; N287-A289 PolarHBondContact OD1-N 3.13Å; A289-H293 WeakPolarHBondContact CB-NE2 3.32Å; A289-V397 HydrophobicContact CB-CB 4.25Å | ||
| 290 | Q | 55 | Low | 76.4 | Confident | 180 Ų | 180 | 28.1 Ų | 28.1 | 84% | 0.841 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -83.2 | -8.8 | -174.8 | -66.8 | -176.7 | -13.1 | 0 | 0 | 114.2 | ||
| 291 | T | 51.8 | Low | 76 | Confident | 88 Ų | 88 | 28.9 Ų | 28.9 | 54% | 0.54 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -105 | 169.5 | -175.6 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | H293 | T291-H293 PolarHBondContact OG1-CE1 2.85Å; T291-H293 PolarHBondContact OG1-NE2 3.03Å |
| 292 | A | 51.3 | Low | 75.3 | Confident | 53 Ų | 53 | 29.1 Ų | 29.1 | 44% | 0.438 | 16% | 0.162 | S | C | . | . | trans | -78.4 | 131.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L315 I316 | A292-L315 CarbonylContact C-O 3.49Å; A292-L315 WeakPolarHBondContact CA-O 3.42Å; A292-I316 HydrophobicContact CB-CB 4.39Å; A292-I316 HydrophobicContact CB-CG1 4.05Å; A292-I316 HydrophobicContact CB-CG2 4.43Å | ||
| 293 | H | 69.6 | Low | 74.2 | Confident | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.8 | -170.1 | -65.3 | -30.1 | 0 | 0 | 0 | 113.6 | A289 T291 F295 S314 L315 G394 N395 | A289-H293 WeakPolarHBondContact CB-NE2 3.32Å; T291-H293 PolarHBondContact OG1-CE1 2.85Å; T291-H293 PolarHBondContact OG1-NE2 3.03Å; H293-F295 PolarHBondContact O-N 2.94Å; H293-S314 CarbonylContact O-C 3.43Å; H293-S314 WeakPolarHBondContact O-CA 3.18Å; H293-S314 VanDerWaalsContact O-CB 3.3Å; H293-S314 WeakPolarHBondContact O-CB 3.44Å; H293-L315 PolarHBondContact N-O 2.97Å; H293-L315 PolarHBondContact O-N 2.88Å; H293-G394 WeakPolarHBondContact CA-O 3.35Å; H293-G394 WeakPolarHBondContact CB-O 3.36Å; H293-G394 VanDerWaalsContact ND1-CA 3.34Å; H293-G394 WeakPolarHBondContact ND1-CA 3.46Å; H293-G394 PolarHBondContact ND1-O 3.04Å; H293-N395 PolarHBondContact CD2-O 2.84Å |
| 294 | N | 72.4 | Confident | 73.2 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.9 | 164 | -73.1 | -29.9 | 0 | 0 | 0 | 108.6 | S314 D389 S393 G394 F396 | N294-S314 PolarHBondContact OD1-OG 3.44Å; N294-D389 HydrophobicContact CB-CB 4.25Å; N294-S393 VanDerWaalsContact ND2-CB 3.34Å; N294-S393 WeakPolarHBondContact ND2-CB 3.4Å; N294-S393 PolarHBondContact ND2-OG 2.9Å; N294-G394 PolarHBondContact N-O 3.26Å; N294-G394 VanDerWaalsContact N-O 3.17Å; N294-F396 PolarHBondContact O-N 2.9Å |
| 295 | F | 81.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -50 | -174.8 | 168.5 | -117.6 | 0 | 0 | 0 | 112.1 | I283 A285 H293 I313 L315 F344 L346 V386 G387 F396 I400 | I283-F295 HydrophobicContact CD1-CE1 4.42Å; I283-F295 HydrophobicContact CD1-CZ 3.79Å; I283-F295 HydrophobicContact CG1-CZ 4.33Å; I283-F295 HydrophobicContact CG2-CE1 4.13Å; I283-F295 HydrophobicContact CG2-CZ 4.25Å; A285-F295 HydrophobicContact CB-CE2 4.32Å; A285-F295 HydrophobicContact CB-CZ 4.1Å; H293-F295 PolarHBondContact O-N 2.94Å; F295-I313 WeakPolarHBondContact CB-O 3.46Å; F295-I313 PolarHBondContact N-O 2.98Å; F295-L315 HydrophobicContact CB-CD1 3.87Å; F295-L315 HydrophobicContact CB-CG 3.75Å; F295-L315 HydrophobicContact CD1-CD1 4.44Å; F295-L315 HydrophobicContact CD1-CD2 4.41Å; F295-L315 HydrophobicContact CD1-CG 4.46Å; F295-L315 HydrophobicContact CD2-CD1 4.08Å; F295-L315 HydrophobicContact CG-CD1 3.89Å; F295-L315 HydrophobicContact CG-CG 4.11Å; F295-F344 HydrophobicContact CD1-CE2 4.45Å; F295-F344 HydrophobicContact CD1-CZ 4.44Å; F295-F344 AromaticContact CE1-CE2 3.86Å; F295-F344 HydrophobicContact CE1-CE2 3.86Å; F295-F344 AromaticContact CE1-CZ 4Å; F295-F344 HydrophobicContact CE1-CZ 4Å; F295-F344 HydrophobicContact CE2-CZ 4.07Å; F295-F344 AromaticContact CZ-CE2 3.98Å; F295-F344 HydrophobicContact CZ-CE2 3.98Å; F295-F344 AromaticContact CZ-CZ 3.77Å; F295-F344 HydrophobicContact CZ-CZ 3.77Å; F295-L346 HydrophobicContact CD1-CD2 4.45Å; F295-L346 HydrophobicContact CE1-CD2 4.06Å; F295-V386 HydrophobicContact CD2-CG1 4.46Å; F295-V386 HydrophobicContact CE2-CG1 4.16Å; F295-V386 CarbonylContact O-C 3.34Å; F295-V386 VanDerWaalsContact O-CA 3.3Å; F295-V386 WeakPolarHBondContact O-CA 3.35Å; F295-G387 PolarHBondContact O-N 3.47Å; F295-F396 HydrophobicContact CD2-CB 4.08Å; F295-F396 HydrophobicContact CD2-CD1 4.06Å; F295-F396 AromaticContact CD2-CD2 3.43Å; F295-F396 HydrophobicContact CD2-CD2 3.43Å; F295-F396 VanDerWaalsContact CD2-CD2 3.43Å; F295-F396 HydrophobicContact CD2-CE1 4.39Å; F295-F396 AromaticContact CD2-CE2 3.78Å; F295-F396 HydrophobicContact CD2-CE2 3.78Å; F295-F396 AromaticContact CD2-CG 3.57Å; F295-F396 HydrophobicContact CD2-CG 3.57Å; F295-F396 HydrophobicContact CD2-CZ 4.25Å; F295-F396 HydrophobicContact CE2-CD1 4.21Å; F295-F396 AromaticContact CE2-CD2 3.91Å; F295-F396 HydrophobicContact CE2-CD2 3.91Å; F295-F396 HydrophobicContact CE2-CE1 4.1Å; F295-F396 AromaticContact CE2-CE2 3.76Å; F295-F396 HydrophobicContact CE2-CE2 3.76Å; F295-F396 HydrophobicContact CE2-CG 4.11Å; F295-F396 AromaticContact CE2-CZ 3.86Å; F295-F396 HydrophobicContact CE2-CZ 3.86Å; F295-F396 HydrophobicContact CG-CD2 4.42Å; F295-I400 HydrophobicContact CE2-CD1 3.74Å; F295-I400 HydrophobicContact CE2-CG1 4.4Å; F295-I400 HydrophobicContact CZ-CD1 4.28Å |
| 296 | M | 86.8 | Confident | 71.3 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.1 | -177.4 | 179.4 | -178.2 | -68.1 | 0 | 0 | 110.3 | I281 I283 I298 I313 I348 I384 Q385 V386 F403 | I281-M296 HydrophobicContact CG2-CE 4.34Å; I281-M296 HydrophobicContact CG2-SD 4.43Å; I283-M296 HydrophobicContact CB-CE 4.47Å; I283-M296 HydrophobicContact CD1-CE 3.77Å; I283-M296 HydrophobicContact CG2-CE 3.91Å; M296-I298 HydrophobicContact CG-CG1 4.24Å; M296-I298 HydrophobicContact SD-CD1 4.19Å; M296-I298 HydrophobicContact SD-CG1 4.22Å; M296-I313 HydrophobicContact CB-CB 4.35Å; M296-I313 PolarHBondContact N-O 2.84Å; M296-I313 PolarHBondContact O-N 3.08Å; M296-I348 HydrophobicContact SD-CD1 3.96Å; M296-I384 HydrophobicContact CE-CG2 4.42Å; M296-I384 HydrophobicContact CG-CG2 3.99Å; M296-I384 HydrophobicContact SD-CG2 4.02Å; M296-Q385 CarbonylContact C-O 3.57Å; M296-Q385 WeakPolarHBondContact CA-O 3.22Å; M296-Q385 WeakPolarHBondContact CG-O 3.49Å; M296-V386 HydrophobicContact CB-CG2 4.4Å; M296-V386 HydrophobicContact CE-CG2 3.83Å; M296-V386 HydrophobicContact CG-CG2 4.13Å; M296-F403 HydrophobicContact CE-CE2 4.07Å; M296-F403 HydrophobicContact CE-CZ 4.24Å |
| 297 | V | 87.1 | Confident | 70.8 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.7 | 168.9 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | R310 L311 T312 I384 Q385 D389 | V297-R310 HydrophobicContact CG1-CB 4.26Å; V297-L311 WeakPolarHBondContact CA-O 3.29Å; V297-T312 HydrophobicContact CG2-CG2 4.11Å; V297-I384 CarbonylContact O-C 3.48Å; V297-Q385 HydrophobicContact CB-CB 4.38Å; V297-Q385 PolarHBondContact N-O 3.13Å; V297-Q385 PolarHBondContact O-N 2.67Å; V297-D389 HydrophobicContact CG2-CB 4.05Å |
| 298 | I | 86.7 | Confident | 70.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127 | 175.6 | -52.2 | 177.8 | 0 | 0 | 0 | 107.7 | I281 M296 W300 R310 L311 I348 F350 L381 I384 | I281-I298 HydrophobicContact CD1-CD1 3.51Å; I281-I298 HydrophobicContact CD1-CG1 4.4Å; M296-I298 HydrophobicContact CG-CG1 4.24Å; M296-I298 HydrophobicContact SD-CD1 4.19Å; M296-I298 HydrophobicContact SD-CG1 4.22Å; I298-W300 HydrophobicContact CB-CE3 4.49Å; I298-W300 HydrophobicContact CB-CH2 3.54Å; I298-W300 HydrophobicContact CB-CZ2 4.31Å; I298-W300 HydrophobicContact CB-CZ3 3.63Å; I298-W300 HydrophobicContact CD1-CH2 4.33Å; I298-W300 HydrophobicContact CG2-CD2 4.33Å; I298-W300 HydrophobicContact CG2-CE3 4.09Å; I298-W300 HydrophobicContact CG2-CH2 3.27Å; I298-W300 HydrophobicContact CG2-CZ2 3.54Å; I298-W300 HydrophobicContact CG2-CZ3 3.55Å; I298-W300 WeakPolarHBondContact O-CZ3 3Å; I298-R310 CarbonylContact O-C 3.56Å; I298-R310 WeakPolarHBondContact O-CA 3.36Å; I298-L311 HydrophobicContact CB-CB 4.37Å; I298-L311 HydrophobicContact CD1-CD2 4.27Å; I298-L311 PolarHBondContact N-O 2.64Å; I298-L311 PolarHBondContact O-N 2.96Å; I298-I348 HydrophobicContact CD1-CD1 3.6Å; I298-F350 HydrophobicContact CD1-CZ 4.19Å; I298-L381 HydrophobicContact CG2-CD1 3.69Å; I298-L381 HydrophobicContact CG2-CD2 3.7Å; I298-L381 HydrophobicContact CG2-CG 3.63Å; I298-I384 HydrophobicContact CG1-CG1 4.37Å; I298-I384 HydrophobicContact CG1-CG2 4.3Å; I298-I384 HydrophobicContact CG2-CG1 4.26Å |
| 299 | S | 87.5 | Confident | 71.4 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.1 | 179.2 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | E308 R310 K382 S383 | S299-E308 WeakPolarHBondContact CB-OE1 3.33Å; S299-E308 PolarHBondContact OG-OE1 2.65Å; S299-R310 PolarHBondContact OG-NH1 3.08Å; S299-K382 PolarHBondContact O-N 3.31Å; S299-S383 PolarHBondContact N-O 2.72Å; S299-S383 PolarHBondContact O-N 2.79Å |
| 300 | W | 83.8 | Confident | 72.5 | Confident | 9 Ų | 9 | 62 Ų | 62 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.6 | 166 | -62.7 | -103.3 | 0 | 0 | 0 | 110.3 | I298 E308 H309 L311 F350 L372 L379 I380 L381 | I298-W300 HydrophobicContact CB-CE3 4.49Å; I298-W300 HydrophobicContact CB-CH2 3.54Å; I298-W300 HydrophobicContact CB-CZ2 4.31Å; I298-W300 HydrophobicContact CB-CZ3 3.63Å; I298-W300 HydrophobicContact CD1-CH2 4.33Å; I298-W300 HydrophobicContact CG2-CD2 4.33Å; I298-W300 HydrophobicContact CG2-CE3 4.09Å; I298-W300 HydrophobicContact CG2-CH2 3.27Å; I298-W300 HydrophobicContact CG2-CZ2 3.54Å; I298-W300 HydrophobicContact CG2-CZ3 3.55Å; I298-W300 WeakPolarHBondContact O-CZ3 3Å; W300-E308 CarbonylContact O-C 3.56Å; W300-E308 WeakPolarHBondContact O-CA 3.28Å; W300-H309 HydrophobicContact CB-CB 4.45Å; W300-H309 PolarHBondContact N-O 2.95Å; W300-H309 PolarHBondContact O-N 3.48Å; W300-L311 HydrophobicContact CH2-CB 3.68Å; W300-L311 HydrophobicContact CH2-CD2 4.12Å; W300-L311 HydrophobicContact CZ3-CB 3.39Å; W300-F350 HydrophobicContact CH2-CE1 4.29Å; W300-F350 HydrophobicContact CZ2-CD1 4.46Å; W300-F350 AromaticContact CZ2-CE1 3.64Å; W300-F350 HydrophobicContact CZ2-CE1 3.64Å; W300-F350 HydrophobicContact CZ2-CZ 4.17Å; W300-L372 HydrophobicContact CH2-CD2 4.46Å; W300-L372 HydrophobicContact CZ2-CD2 4.11Å; W300-L379 HydrophobicContact CB-CB 4.1Å; W300-L379 HydrophobicContact CB-CD2 4.31Å; W300-L379 HydrophobicContact CG-CB 4.07Å; W300-I380 CarbonylContact C-O 3.35Å; W300-I380 WeakPolarHBondContact CA-O 3.49Å; W300-L381 HydrophobicContact CD2-CG 4.42Å; W300-L381 HydrophobicContact CG-CB 4.45Å; W300-L381 HydrophobicContact CZ2-CD1 4.16Å; W300-L381 HydrophobicContact CZ2-CG 4.32Å |
| 301 | Q | 81.3 | Confident | 73.8 | Confident | 88 Ų | 88 | 53.5 Ų | 53.5 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.8 | 163.2 | -177.7 | -179.2 | -10.7 | 0 | 0 | 108.5 | I380 K382 | Q301-I380 PolarHBondContact N-O 3.12Å; Q301-I380 PolarHBondContact O-N 3.02Å; Q301-K382 HydrophobicContact CB-CD 4.32Å; Q301-K382 HydrophobicContact CB-CG 3.66Å |
| 302 | N | 74.4 | Confident | 75.4 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.7 | 168.9 | -178.9 | -40.1 | 0 | 0 | 0 | 109.7 | N304 R305 G307 D377 | N302-N304 PolarHBondContact OD1-N 3.24Å; N302-R305 HydrophobicContact CB-CB 4.27Å; N302-R305 WeakPolarHBondContact CB-O 3.48Å; N302-R305 VanDerWaalsContact O-O 3.13Å; N302-R305 PolarHBondContact OD1-N 3.3Å; N302-G307 PolarHBondContact N-O 3.32Å; N302-D377 VanDerWaalsContact ND2-CB 3.31Å; N302-D377 WeakPolarHBondContact ND2-CB 3.03Å; N302-D377 VanDerWaalsContact ND2-CG 3.27Å; N302-D377 PolarHBondContact ND2-OD2 2.88Å; N302-D377 WeakPolarHBondContact OD1-CB 3.29Å; N302-D377 VanDerWaalsContact OD1-CG 3.31Å |
| 303 | E | 65.5 | Low | 76.9 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 29% | 0.285 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -65.8 | -43.5 | -179.1 | -169.1 | -177.8 | 136.8 | 0 | 0 | 113 | K94 I378 I380 | K94-E303 WeakPolarHBondContact CE-OE1 3.46Å; K94-E303 WeakPolarHBondContact CE-OE2 3.37Å; K94-E303 IonicContact NZ-OE1 2.69Å; K94-E303 PolarHBondContact NZ-OE1 3.41Å; K94-E303 IonicContact NZ-OE2 3.65Å; E303-I378 HydrophobicContact CB-CB 4.41Å; E303-I378 PolarHBondContact N-O 3.48Å; E303-I378 VanDerWaalsContact N-O 3.16Å; E303-I380 HydrophobicContact CB-CD1 4Å; E303-I380 HydrophobicContact CG-CD1 4.24Å |
| 304 | N | 65.5 | Low | 77.5 | Confident | 114 Ų | 114 | 48.2 Ų | 48.2 | 61% | 0.61 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -96.5 | -25.5 | -171.8 | -61.4 | -43 | 0 | 0 | 0 | 113.3 | N302 D377 | N302-N304 PolarHBondContact OD1-N 3.24Å; N304-D377 WeakPolarHBondContact CB-OD1 3.31Å; N304-D377 PolarHBondContact ND2-OD1 3.27Å |
| 305 | R | 63.2 | Low | 77.8 | Confident | 144 Ų | 144 | 46.7 Ų | 46.7 | 54% | 0.543 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -112.5 | 144.3 | -177.9 | -48.2 | -173.8 | -163.1 | -149.8 | -3 | 110.2 | N302 G307 E376 D377 | N302-R305 HydrophobicContact CB-CB 4.27Å; N302-R305 WeakPolarHBondContact CB-O 3.48Å; N302-R305 VanDerWaalsContact O-O 3.13Å; N302-R305 PolarHBondContact OD1-N 3.3Å; R305-G307 PolarHBondContact O-N 3.45Å; R305-E376 IonicContact NH2-OE2 3.95Å; R305-D377 WeakPolarHBondContact CD-OD2 3.35Å; R305-D377 IonicContact CZ-OD2 3.91Å; R305-D377 IonicContact NE-OD2 3.54Å; R305-D377 PolarHBondContact NE-OD2 2.97Å; R305-D377 IonicContact NH2-OD2 2.97Å |
| 306 | H | 60.9 | Low | 77.4 | Confident | 202 Ų | 202 | 49 Ų | 49 | 94% | 0.935 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -68.4 | 16.3 | 173.4 | -75.1 | -76.3 | 0 | 0 | 0 | 114.8 | ||
| 307 | G | 66.5 | Low | 76.5 | Confident | 31 Ų | 31 | 54 Ų | 54 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -83 | 131.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N302 R305 | N302-G307 PolarHBondContact N-O 3.32Å; R305-G307 PolarHBondContact O-N 3.45Å |
| 308 | E | 71.7 | Confident | 75.3 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 51% | 0.514 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.9 | 161.6 | -170.3 | -173.9 | 153.7 | 0 | 0 | 108.8 | S299 W300 R310 | S299-E308 WeakPolarHBondContact CB-OE1 3.33Å; S299-E308 PolarHBondContact OG-OE1 2.65Å; W300-E308 CarbonylContact O-C 3.56Å; W300-E308 WeakPolarHBondContact O-CA 3.28Å; E308-R310 HydrophobicContact CG-CG 4.13Å; E308-R310 WeakPolarHBondContact OE1-CD 3.42Å; E308-R310 VanDerWaalsContact OE1-CG 3.25Å; E308-R310 WeakPolarHBondContact OE1-CG 3.44Å; E308-R310 IonicContact OE1-CZ 3.93Å; E308-R310 IonicContact OE1-NE 2.72Å; E308-R310 IonicContact OE1-NH1 2.69Å; E308-R310 PolarHBondContact OE1-NH1 2.75Å |
| 309 | H | 78.3 | Confident | 74.5 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132 | 168.1 | -66.3 | -86 | 0 | 0 | 0 | 108.4 | W300 L379 | W300-H309 HydrophobicContact CB-CB 4.45Å; W300-H309 PolarHBondContact N-O 2.95Å; W300-H309 PolarHBondContact O-N 3.48Å; H309-L379 HydrophobicContact CB-CD2 4.34Å; H309-L379 WeakPolarHBondContact CD2-CD2 3.39Å |
| 310 | R | 81.6 | Confident | 73.9 | Confident | 95 Ų | 95 | 58.7 Ų | 58.7 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.7 | 179.1 | -66.4 | 173.3 | 75.2 | 96.6 | -8.2 | 110.4 | V297 I298 S299 E308 D389 | V297-R310 HydrophobicContact CG1-CB 4.26Å; I298-R310 CarbonylContact O-C 3.56Å; I298-R310 WeakPolarHBondContact O-CA 3.36Å; S299-R310 PolarHBondContact OG-NH1 3.08Å; E308-R310 HydrophobicContact CG-CG 4.13Å; E308-R310 WeakPolarHBondContact OE1-CD 3.42Å; E308-R310 VanDerWaalsContact OE1-CG 3.25Å; E308-R310 WeakPolarHBondContact OE1-CG 3.44Å; E308-R310 IonicContact OE1-CZ 3.93Å; E308-R310 IonicContact OE1-NE 2.72Å; E308-R310 IonicContact OE1-NH1 2.69Å; E308-R310 PolarHBondContact OE1-NH1 2.75Å; R310-D389 IonicContact NH2-OD1 2.75Å; R310-D389 PolarHBondContact NH2-OD1 3.24Å; R310-D389 IonicContact NH2-OD2 3.15Å |
| 311 | L | 82.7 | Confident | 73.6 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 108.3 | 166.7 | -174.3 | 82.5 | 0 | 0 | 0 | 107.5 | V297 I298 W300 I313 I323 D324 F370 | V297-L311 WeakPolarHBondContact CA-O 3.29Å; I298-L311 HydrophobicContact CB-CB 4.37Å; I298-L311 HydrophobicContact CD1-CD2 4.27Å; I298-L311 PolarHBondContact N-O 2.64Å; I298-L311 PolarHBondContact O-N 2.96Å; W300-L311 HydrophobicContact CH2-CB 3.68Å; W300-L311 HydrophobicContact CH2-CD2 4.12Å; W300-L311 HydrophobicContact CZ3-CB 3.39Å; L311-I313 HydrophobicContact CD2-CD1 4.23Å; L311-I313 HydrophobicContact CD2-CG1 4.33Å; L311-I313 HydrophobicContact CG-CG1 4.47Å; L311-I323 HydrophobicContact CD1-CG2 3.43Å; L311-I323 VanDerWaalsContact CD1-CG2 3.43Å; L311-I323 HydrophobicContact CD2-CG2 4.25Å; L311-I323 HydrophobicContact CG-CG2 3.95Å; L311-D324 CarbonylContact C-O 3.54Å; L311-D324 VanDerWaalsContact CA-O 3.3Å; L311-D324 WeakPolarHBondContact CA-O 3.28Å; L311-F370 HydrophobicContact CD1-CD2 3.82Å; L311-F370 HydrophobicContact CD1-CE2 3.43Å; L311-F370 VanDerWaalsContact CD1-CE2 3.43Å; L311-F370 HydrophobicContact CD1-CZ 3.94Å; L311-F370 HydrophobicContact CD2-CE1 4.31Å; L311-F370 HydrophobicContact CD2-CE2 3.62Å; L311-F370 HydrophobicContact CD2-CZ 3.37Å; L311-F370 HydrophobicContact CG-CE2 4.16Å; L311-F370 HydrophobicContact CG-CZ 4.31Å |
| 312 | T | 84 | Confident | 73.6 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.6 | 175.7 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | V297 D324 | V297-T312 HydrophobicContact CG2-CG2 4.11Å; T312-D324 PolarHBondContact N-O 2.85Å; T312-D324 PolarHBondContact O-N 3.49Å |
| 313 | I | 83.5 | Confident | 74 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 111.3 | 174.8 | -55.6 | -179.7 | 0 | 0 | 0 | 107.3 | F295 M296 L311 A321 R322 L346 I348 | F295-I313 WeakPolarHBondContact CB-O 3.46Å; F295-I313 PolarHBondContact N-O 2.98Å; M296-I313 HydrophobicContact CB-CB 4.35Å; M296-I313 PolarHBondContact N-O 2.84Å; M296-I313 PolarHBondContact O-N 3.08Å; L311-I313 HydrophobicContact CD2-CD1 4.23Å; L311-I313 HydrophobicContact CD2-CG1 4.33Å; L311-I313 HydrophobicContact CG-CG1 4.47Å; I313-A321 HydrophobicContact CG2-CB 4.26Å; I313-R322 CarbonylContact C-O 3.52Å; I313-R322 WeakPolarHBondContact CA-O 3.33Å; I313-L346 HydrophobicContact CD1-CD2 4.03Å; I313-L346 HydrophobicContact CG2-CD2 4.26Å; I313-I348 HydrophobicContact CD1-CD1 3.54Å; I313-I348 HydrophobicContact CD1-CG1 4.37Å |
| 314 | S | 82.2 | Confident | 74.7 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.4 | 177 | -39.4 | 0 | 0 | 0 | 0 | 109.6 | H293 N294 A321 R322 | H293-S314 CarbonylContact O-C 3.43Å; H293-S314 WeakPolarHBondContact O-CA 3.18Å; H293-S314 VanDerWaalsContact O-CB 3.3Å; H293-S314 WeakPolarHBondContact O-CB 3.44Å; N294-S314 PolarHBondContact OD1-OG 3.44Å; S314-A321 CarbonylContact O-C 3.53Å; S314-A321 WeakPolarHBondContact O-CA 3.38Å; S314-R322 PolarHBondContact N-O 2.95Å; S314-R322 PolarHBondContact O-N 2.85Å |
| 315 | L | 78.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.4 | 172.8 | -54.4 | 170.9 | 0 | 0 | 0 | 108.3 | N287 A292 H293 F295 T320 L334 F344 F396 | N287-L315 HydrophobicContact CB-CD1 4.26Å; A292-L315 CarbonylContact C-O 3.49Å; A292-L315 WeakPolarHBondContact CA-O 3.42Å; H293-L315 PolarHBondContact N-O 2.97Å; H293-L315 PolarHBondContact O-N 2.88Å; F295-L315 HydrophobicContact CB-CD1 3.87Å; F295-L315 HydrophobicContact CB-CG 3.75Å; F295-L315 HydrophobicContact CD1-CD1 4.44Å; F295-L315 HydrophobicContact CD1-CD2 4.41Å; F295-L315 HydrophobicContact CD1-CG 4.46Å; F295-L315 HydrophobicContact CD2-CD1 4.08Å; F295-L315 HydrophobicContact CG-CD1 3.89Å; F295-L315 HydrophobicContact CG-CG 4.11Å; L315-T320 CarbonylContact C-O 3.6Å; L315-L334 HydrophobicContact CD2-CD1 3.54Å; L315-F344 HydrophobicContact CD1-CE1 3.79Å; L315-F344 HydrophobicContact CD1-CE2 4.4Å; L315-F344 HydrophobicContact CD1-CZ 3.52Å; L315-F344 HydrophobicContact CD2-CE1 4.48Å; L315-F344 HydrophobicContact CD2-CE2 4Å; L315-F344 HydrophobicContact CD2-CZ 3.93Å; L315-F344 HydrophobicContact CG-CZ 4.38Å; L315-F396 HydrophobicContact CD1-CD2 3.94Å; L315-F396 HydrophobicContact CD1-CE2 4.16Å |
| 316 | I | 74.6 | Confident | 75.5 | Confident | 48 Ų | 48 | 51 Ų | 51 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.2 | 176.2 | -59.7 | 177.1 | 0 | 0 | 0 | 107.3 | A292 G318 T319 T320 R322 L331 | A292-I316 HydrophobicContact CB-CB 4.39Å; A292-I316 HydrophobicContact CB-CG1 4.05Å; A292-I316 HydrophobicContact CB-CG2 4.43Å; I316-G318 PolarHBondContact O-N 2.97Å; I316-T319 PolarHBondContact O-N 2.96Å; I316-T319 VanDerWaalsContact O-N 3.12Å; I316-T320 PolarHBondContact N-O 2.9Å; I316-T320 PolarHBondContact O-N 3.5Å; I316-T320 VanDerWaalsContact O-N 3.12Å; I316-R322 HydrophobicContact CD1-CB 3.82Å; I316-R322 HydrophobicContact CG1-CB 4.35Å; I316-L331 HydrophobicContact CD1-CD2 3.99Å |
| 317 | N | 66.4 | Low | 75.9 | Confident | 106 Ų | 106 | 48 Ų | 48 | 57% | 0.567 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 22.9 | 178 | -55 | -1.3 | 0 | 0 | 0 | 114.5 | T319 | N317-T319 PolarHBondContact O-N 2.83Š|
| 318 | G | 63.4 | Low | 76.2 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -13.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | I316 | I316-G318 PolarHBondContact O-N 2.97Š|
| 319 | T | 68.7 | Low | 76.4 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -7.1 | -171.1 | 59 | 0 | 0 | 0 | 0 | 114.5 | I316 N317 L334 T336 | I316-T319 PolarHBondContact O-N 2.96Å; I316-T319 VanDerWaalsContact O-N 3.12Å; N317-T319 PolarHBondContact O-N 2.83Å; T319-L334 PolarHBondContact O-N 2.74Å; T319-T336 HydrophobicContact CG2-CG2 4.01Å |
| 320 | T | 75 | Confident | 76.4 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 130.8 | -180 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | L315 I316 L331 C332 | L315-T320 CarbonylContact C-O 3.6Å; I316-T320 PolarHBondContact N-O 2.9Å; I316-T320 PolarHBondContact O-N 3.5Å; I316-T320 VanDerWaalsContact O-N 3.12Å; T320-L331 HydrophobicContact CG2-CB 4.09Å; T320-L331 HydrophobicContact CG2-CD2 4.12Å; T320-C332 CarbonylContact C-O 3.6Å; T320-C332 WeakPolarHBondContact CA-O 3.39Å |
| 321 | A | 77.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 119.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I313 S314 C332 L334 | I313-A321 HydrophobicContact CG2-CB 4.26Å; S314-A321 CarbonylContact O-C 3.53Å; S314-A321 WeakPolarHBondContact O-CA 3.38Å; A321-C332 HydrophobicContact CB-CB 4.29Å; A321-C332 PolarHBondContact N-O 2.78Å; A321-C332 WeakPolarHBondContact O-CB 3.38Å; A321-C332 PolarHBondContact O-N 2.83Å; A321-L334 HydrophobicContact CB-CD1 4.14Å; A321-L334 HydrophobicContact CB-CD2 3.88Å; A321-L334 HydrophobicContact CB-CG 4.06Å |
| 322 | R | 82.4 | Confident | 76 | Confident | 99 Ų | 99 | 51.2 Ų | 51.2 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.1 | 163.9 | 178.2 | -174.4 | 172.1 | 111 | -0.2 | 108.3 | I313 S314 I316 D324 A329 L330 L331 | I313-R322 CarbonylContact C-O 3.52Å; I313-R322 WeakPolarHBondContact CA-O 3.33Å; S314-R322 PolarHBondContact N-O 2.95Å; S314-R322 PolarHBondContact O-N 2.85Å; I316-R322 HydrophobicContact CD1-CB 3.82Å; I316-R322 HydrophobicContact CG1-CB 4.35Å; R322-D324 IonicContact CZ-OD2 3.6Å; R322-D324 IonicContact NE-OD2 3.53Å; R322-D324 IonicContact NH2-OD2 2.82Å; R322-D324 PolarHBondContact NH2-OD2 3.18Å; R322-A329 HydrophobicContact CG-CB 4.05Å; R322-A329 VanDerWaalsContact NH2-CB 3.27Å; R322-L330 WeakPolarHBondContact CA-O 3.29Å; R322-L331 HydrophobicContact CB-CD2 3.85Å; R322-L331 HydrophobicContact CG-CD2 4.05Å |
| 323 | I | 81.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115 | 176.9 | -54.2 | 173.4 | 0 | 0 | 0 | 107.5 | L311 A329 L330 C332 V359 C368 F370 | L311-I323 HydrophobicContact CD1-CG2 3.43Å; L311-I323 VanDerWaalsContact CD1-CG2 3.43Å; L311-I323 HydrophobicContact CD2-CG2 4.25Å; L311-I323 HydrophobicContact CG-CG2 3.95Å; I323-A329 CarbonylContact O-C 3.56Å; I323-A329 VanDerWaalsContact O-CA 3.27Å; I323-A329 WeakPolarHBondContact O-CA 3.23Å; I323-L330 HydrophobicContact CB-CB 4.37Å; I323-L330 PolarHBondContact N-O 3.17Å; I323-L330 PolarHBondContact O-N 3.16Å; I323-C332 HydrophobicContact CD1-CB 4.39Å; I323-C332 WeakPolarHBondContact CD1-SG 3.35Å; I323-V359 HydrophobicContact CD1-CB 3.76Å; I323-V359 HydrophobicContact CD1-CG1 4.43Å; I323-V359 HydrophobicContact CD1-CG2 3.34Å; I323-V359 HydrophobicContact CG1-CG2 4.43Å; I323-C368 HydrophobicContact CD1-CB 4.34Å; I323-F370 HydrophobicContact CD1-CD1 4.49Å; I323-F370 HydrophobicContact CG2-CD1 4.3Å; I323-F370 HydrophobicContact CG2-CE1 4.37Å |
| 324 | D | 81.8 | Confident | 74.6 | Confident | 46 Ų | 46 | 53.9 Ų | 53.9 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.1 | 179 | -147.9 | -41.7 | 0 | 0 | 0 | 110.6 | L311 T312 R322 G326 A329 | L311-D324 CarbonylContact C-O 3.54Å; L311-D324 VanDerWaalsContact CA-O 3.3Å; L311-D324 WeakPolarHBondContact CA-O 3.28Å; T312-D324 PolarHBondContact N-O 2.85Å; T312-D324 PolarHBondContact O-N 3.49Å; R322-D324 IonicContact CZ-OD2 3.6Å; R322-D324 IonicContact NE-OD2 3.53Å; R322-D324 IonicContact NH2-OD2 2.82Å; R322-D324 PolarHBondContact NH2-OD2 3.18Å; D324-G326 PolarHBondContact OD1-N 2.97Å; D324-A329 HydrophobicContact CB-CB 4.4Å |
| 325 | S | 74.8 | Confident | 73.4 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | trans | -119.8 | 12.8 | -179.7 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 326 | G | 70 | Confident | 72.1 | Confident | 71 Ų | 71 | 58 Ų | 58 | 73% | 0.732 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 83.6 | -0.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D324 | D324-G326 PolarHBondContact OD1-N 2.97Š|
| 327 | K | 69 | Low | 70.9 | Confident | 138 Ų | 138 | 60 Ų | 60 | 60% | 0.6 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -104.2 | -84.6 | 170.8 | -71.8 | -177.9 | 177.1 | 173.8 | 0 | 111.7 | G373 D374 | K327-G373 PolarHBondContact NZ-O 3.16Å; K327-D374 IonicContact NZ-OD1 2.65Å; K327-D374 PolarHBondContact NZ-OD1 2.9Å; K327-D374 IonicContact NZ-OD2 3.79Å |
| 328 | K | 72.4 | Confident | 70 | Confident | 183 Ų | 183 | 57 Ų | 57 | 80% | 0.796 | 32% | 0.321 | S | S | * | . | trans | -131.4 | 123.1 | 176.5 | -179.1 | 177.3 | 179.4 | 179 | 0 | 108.2 | L330 | K328-L330 PolarHBondContact O-N 3.22Š| ||
| 329 | A | 76.2 | Confident | 69.3 | Low | 25 Ų | 25 | 66.6 Ų | 66.6 | 21% | 0.207 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 130.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R322 I323 D324 | R322-A329 HydrophobicContact CG-CB 4.05Å; R322-A329 VanDerWaalsContact NH2-CB 3.27Å; I323-A329 CarbonylContact O-C 3.56Å; I323-A329 VanDerWaalsContact O-CA 3.27Å; I323-A329 WeakPolarHBondContact O-CA 3.23Å; D324-A329 HydrophobicContact CB-CB 4.4Å |
| 330 | L | 79 | Confident | 68.3 | Low | 58 Ų | 58 | 69.5 Ų | 69.5 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.1 | 177.2 | -169.8 | 67.9 | 0 | 0 | 0 | 108.9 | R322 I323 K328 C368 Q369 | R322-L330 WeakPolarHBondContact CA-O 3.29Å; I323-L330 HydrophobicContact CB-CB 4.37Å; I323-L330 PolarHBondContact N-O 3.17Å; I323-L330 PolarHBondContact O-N 3.16Å; K328-L330 PolarHBondContact O-N 3.22Å; L330-C368 HydrophobicContact CD2-CB 3.74Å; L330-C368 VanDerWaalsContact CD2-SG 3.53Å; L330-Q369 WeakPolarHBondContact CD2-O 3.02Å |
| 331 | L | 79.2 | Confident | 67.1 | Low | 106 Ų | 106 | 72.7 Ų | 72.7 | 56% | 0.555 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.6 | 175.7 | -66 | 175.9 | 0 | 0 | 0 | 109.3 | I316 T320 R322 | I316-L331 HydrophobicContact CD1-CD2 3.99Å; T320-L331 HydrophobicContact CG2-CB 4.09Å; T320-L331 HydrophobicContact CG2-CD2 4.12Å; R322-L331 HydrophobicContact CB-CD2 3.85Å; R322-L331 HydrophobicContact CG-CD2 4.05Å |
| 332 | C | 76.8 | Confident | 66.2 | Low | 4 Ų | 4 | 75.1 Ų | 75.1 | 3% | 0.027 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.6 | -167.6 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | T320 A321 I323 L334 C368 | T320-C332 CarbonylContact C-O 3.6Å; T320-C332 WeakPolarHBondContact CA-O 3.39Å; A321-C332 HydrophobicContact CB-CB 4.29Å; A321-C332 PolarHBondContact N-O 2.78Å; A321-C332 WeakPolarHBondContact O-CB 3.38Å; A321-C332 PolarHBondContact O-N 2.83Å; I323-C332 HydrophobicContact CD1-CB 4.39Å; I323-C332 WeakPolarHBondContact CD1-SG 3.35Å; C332-L334 PolarHBondContact O-N 3.41Å; C332-C368 WeakPolarHBondContact CA-SG 3.05Å; C332-C368 HydrophobicContact CB-CB 3.83Å; C332-C368 WeakPolarHBondContact CB-SG 3.46Å; C332-C368 WeakPolarHBondContact SG-CB 3.27Å; C332-C368 CovalentContact SG-SG 2.02Å; C332-C368 PolarHBondContact SG-SG 2.8Å |
| 333 | P | 73 | Confident | 65.5 | Low | 76 Ų | 76 | 71 Ų | 71 | 49% | 0.494 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 125.8 | 178.1 | -26.1 | 35.1 | 0 | 0 | 0 | 112 | ||
| 334 | L | 65.3 | Low | 65 | Low | 9 Ų | 9 | 71.3 Ų | 71.3 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | trans | -95.7 | 114.4 | 167.7 | -60.5 | 174.1 | 0 | 0 | 0 | 107.5 | L315 T319 A321 C332 T336 F344 T361 | L315-L334 HydrophobicContact CD2-CD1 3.54Å; T319-L334 PolarHBondContact O-N 2.74Å; A321-L334 HydrophobicContact CB-CD1 4.14Å; A321-L334 HydrophobicContact CB-CD2 3.88Å; A321-L334 HydrophobicContact CB-CG 4.06Å; C332-L334 PolarHBondContact O-N 3.41Å; L334-T336 PolarHBondContact O-N 3.44Å; L334-F344 HydrophobicContact CD1-CD2 4.48Å; L334-F344 HydrophobicContact CD1-CG 4.48Å; L334-T361 HydrophobicContact CD2-CG2 3.51Å | ||
| 335 | P | 56.8 | Low | 64.6 | Low | 33 Ų | 33 | 69.5 Ų | 69.5 | 21% | 0.214 | 39% | 0.392 | C | S | . | . | trans | -68.3 | 123.4 | 171.5 | 29 | -32 | 0 | 0 | 0 | 108.5 | T361 F363 | P335-T361 VanDerWaalsContact CD-CB 3.41Å; P335-T361 WeakPolarHBondContact CD-OG1 3.37Å; P335-T361 WeakPolarHBondContact CG-OG1 3.31Å; P335-F363 HydrophobicContact CB-CB 3.81Å; P335-F363 HydrophobicContact CG-CB 3.74Å; P335-F363 HydrophobicContact CG-CD2 4.27Å | ||
| 336 | T | 49.4 | Very low | 64.8 | Low | 68 Ų | 68 | 67.5 Ų | 67.5 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | trans | -71.1 | 142.1 | 170.9 | 44 | 0 | 0 | 0 | 0 | 110.1 | T319 L334 | T319-T336 HydrophobicContact CG2-CG2 4.01Å; L334-T336 PolarHBondContact O-N 3.44Å | ||
| 337 | L | 50.5 | Low | 65.3 | Low | 88 Ų | 88 | 66.5 Ų | 66.5 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -76 | -26.4 | 179.8 | -102.6 | 154.6 | 0 | 0 | 0 | 112.7 | A343 F363 | L337-A343 HydrophobicContact CB-CB 4.06Å; L337-A343 HydrophobicContact CD1-CB 3.48Å; L337-A343 VanDerWaalsContact CD1-CB 3.48Å; L337-A343 HydrophobicContact CG-CB 4.37Å; L337-F363 HydrophobicContact CD1-CE2 4.24Å; L337-F363 HydrophobicContact CD2-CE2 3.55Å; L337-F363 HydrophobicContact CD2-CZ 3.6Å; L337-F363 HydrophobicContact CG-CE2 3.68Å; L337-F363 HydrophobicContact CG-CZ 4.26Å |
| 338 | S | 48.1 | Very low | 66.1 | Low | 44 Ų | 44 | 60 Ų | 60 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | trans | -156.1 | 174.5 | 164.3 | 68.8 | 0 | 0 | 0 | 0 | 109.8 | T340 Q341 | S338-T340 PolarHBondContact O-N 2.82Å; S338-T340 PolarHBondContact OG-N 2.92Å; S338-T340 VanDerWaalsContact OG-N 3.1Å; S338-T340 PolarHBondContact OG-OG1 3.25Å; S338-Q341 PolarHBondContact OG-N 3.31Å | ||
| 339 | E | 47.7 | Very low | 66.7 | Low | 206 Ų | 206 | 55 Ų | 55 | 96% | 0.963 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -65.3 | -17.6 | 167.6 | -66 | -174.1 | 155.4 | 0 | 0 | 113 | ||
| 340 | T | 47.8 | Very low | 67.2 | Low | 126 Ų | 126 | 54 Ų | 54 | 77% | 0.773 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -104.4 | -19.6 | -173.6 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | S338 | S338-T340 PolarHBondContact O-N 2.82Å; S338-T340 PolarHBondContact OG-N 2.92Å; S338-T340 VanDerWaalsContact OG-N 3.1Å; S338-T340 PolarHBondContact OG-OG1 3.25Å |
| 341 | Q | 49.8 | Very low | 67.2 | Low | 104 Ų | 104 | 52.9 Ų | 52.9 | 49% | 0.486 | 29% | 0.286 | S | S | . | . | trans | -130.7 | 111.9 | -179.2 | -72.5 | -167.9 | -32.9 | 0 | 0 | 111.8 | S338 A343 | S338-Q341 PolarHBondContact OG-N 3.31Å; Q341-A343 PolarHBondContact O-N 3.24Å | ||
| 342 | S | 58.4 | Low | 67.1 | Low | 50 Ų | 50 | 49.8 Ų | 49.8 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | trans | -71.5 | 41.2 | 173 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | N287 | N287-S342 PolarHBondContact N-O 2.79Å; N287-S342 WeakPolarHBondContact O-CB 3.42Å; N287-S342 PolarHBondContact O-OG 3.39Å | ||
| 343 | A | 67.4 | Low | 66.7 | Low | 14 Ų | 14 | 53.4 Ų | 53.4 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 133.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A285 T286 L337 Q341 | A285-A343 CarbonylContact O-C 3.55Å; A285-A343 WeakPolarHBondContact O-CA 3.44Å; T286-A343 HydrophobicContact CG2-CB 3.96Å; L337-A343 HydrophobicContact CB-CB 4.06Å; L337-A343 HydrophobicContact CD1-CB 3.48Å; L337-A343 VanDerWaalsContact CD1-CB 3.48Å; L337-A343 HydrophobicContact CG-CB 4.37Å; Q341-A343 PolarHBondContact O-N 3.24Å |
| 344 | F | 72.4 | Confident | 66.7 | Low | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.1 | 179.1 | 66.7 | -82.9 | 0 | 0 | 0 | 110.5 | A285 N287 F295 L315 L334 L346 | A285-F344 HydrophobicContact CB-CD1 4.38Å; A285-F344 HydrophobicContact CB-CE1 3.68Å; A285-F344 HydrophobicContact CB-CE2 4.04Å; A285-F344 HydrophobicContact CB-CZ 3.49Å; A285-F344 VanDerWaalsContact CB-CZ 3.49Å; A285-F344 PolarHBondContact N-O 3.33Å; A285-F344 WeakPolarHBondContact O-CD1 3.46Å; A285-F344 PolarHBondContact O-N 3.15Å; A285-F344 VanDerWaalsContact O-O 3.12Å; N287-F344 HydrophobicContact CB-CE1 4.05Å; F295-F344 HydrophobicContact CD1-CE2 4.45Å; F295-F344 HydrophobicContact CD1-CZ 4.44Å; F295-F344 AromaticContact CE1-CE2 3.86Å; F295-F344 HydrophobicContact CE1-CE2 3.86Å; F295-F344 AromaticContact CE1-CZ 4Å; F295-F344 HydrophobicContact CE1-CZ 4Å; F295-F344 HydrophobicContact CE2-CZ 4.07Å; F295-F344 AromaticContact CZ-CE2 3.98Å; F295-F344 HydrophobicContact CZ-CE2 3.98Å; F295-F344 AromaticContact CZ-CZ 3.77Å; F295-F344 HydrophobicContact CZ-CZ 3.77Å; L315-F344 HydrophobicContact CD1-CE1 3.79Å; L315-F344 HydrophobicContact CD1-CE2 4.4Å; L315-F344 HydrophobicContact CD1-CZ 3.52Å; L315-F344 HydrophobicContact CD2-CE1 4.48Å; L315-F344 HydrophobicContact CD2-CE2 4Å; L315-F344 HydrophobicContact CD2-CZ 3.93Å; L315-F344 HydrophobicContact CG-CZ 4.38Å; L334-F344 HydrophobicContact CD1-CD2 4.48Å; L334-F344 HydrophobicContact CD1-CG 4.48Å; F344-L346 HydrophobicContact CD2-CB 4.35Å; F344-L346 HydrophobicContact CE2-CB 4.35Å |
| 345 | V | 73 | Confident | 67 | Low | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.6 | 170.6 | -169.3 | 0 | 0 | 0 | 0 | 107.9 | F243 I283 T284 Y347 T361 K362 | F243-V345 HydrophobicContact CZ-CG1 3.82Å; I283-V345 CarbonylContact O-C 3.54Å; I283-V345 WeakPolarHBondContact O-CA 3.27Å; T284-V345 HydrophobicContact CG2-CG2 4.21Å; V345-Y347 HydrophobicContact CB-CE2 4.02Å; V345-Y347 HydrophobicContact CG1-CD2 4Å; V345-Y347 HydrophobicContact CG1-CE1 4.12Å; V345-Y347 HydrophobicContact CG1-CE2 3.38Å; V345-Y347 VanDerWaalsContact CG1-CZ 3.46Å; V345-T361 VanDerWaalsContact O-CA 3.28Å; V345-T361 WeakPolarHBondContact O-CA 3.49Å; V345-K362 HydrophobicContact CB-CB 4.08Å; V345-K362 HydrophobicContact CG2-CB 4.09Å; V345-K362 HydrophobicContact CG2-CD 4.18Å |
| 346 | L | 79.1 | Confident | 68.1 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.4 | 179.5 | -176.6 | 84.1 | 0 | 0 | 0 | 108.5 | A282 I283 F295 I313 F344 I348 V359 | A282-L346 WeakPolarHBondContact CA-O 3.28Å; I283-L346 HydrophobicContact CG2-CB 3.7Å; I283-L346 HydrophobicContact CG2-CD2 4.03Å; I283-L346 HydrophobicContact CG2-CG 4.39Å; I283-L346 PolarHBondContact N-O 3Å; I283-L346 PolarHBondContact O-N 3.43Å; F295-L346 HydrophobicContact CD1-CD2 4.45Å; F295-L346 HydrophobicContact CE1-CD2 4.06Å; I313-L346 HydrophobicContact CD1-CD2 4.03Å; I313-L346 HydrophobicContact CG2-CD2 4.26Å; F344-L346 HydrophobicContact CD2-CB 4.35Å; F344-L346 HydrophobicContact CE2-CB 4.35Å; L346-I348 HydrophobicContact CD2-CD1 4.32Å; L346-I348 HydrophobicContact CD2-CG1 4.36Å; L346-I348 HydrophobicContact CG-CG1 4.37Å; L346-V359 HydrophobicContact CD1-CG1 3.41Å; L346-V359 VanDerWaalsContact CD1-CG1 3.41Å; L346-V359 HydrophobicContact CG-CG1 4.39Å |
| 347 | Y | 79.7 | Confident | 69.4 | Low | 49 Ų | 49 | 51.5 Ų | 51.5 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.4 | 170.9 | -58.4 | -86.1 | 0 | 0 | 0 | 109.3 | F243 I281 A282 V345 V359 K360 K362 | F243-Y347 AromaticContact CD1-CE1 3.92Å; F243-Y347 HydrophobicContact CD1-CE1 3.92Å; F243-Y347 AromaticContact CE1-CE1 3.4Å; F243-Y347 HydrophobicContact CE1-CE1 3.4Å; F243-Y347 AromaticContact CE1-CZ 3.58Å; F243-Y347 WeakPolarHBondContact CE1-OH 3.48Å; F243-Y347 HydrophobicContact CE2-CE1 4.21Å; F243-Y347 AromaticContact CZ-CE1 3.56Å; F243-Y347 HydrophobicContact CZ-CE1 3.56Å; F243-Y347 AromaticContact CZ-CZ 3.76Å; F243-Y347 WeakPolarHBondContact CZ-OH 3.35Å; I281-Y347 CarbonylContact O-C 3.52Å; I281-Y347 WeakPolarHBondContact O-CA 3.32Å; A282-Y347 HydrophobicContact CB-CD1 3.64Å; A282-Y347 HydrophobicContact CB-CE1 3.96Å; V345-Y347 HydrophobicContact CB-CE2 4.02Å; V345-Y347 HydrophobicContact CG1-CD2 4Å; V345-Y347 HydrophobicContact CG1-CE1 4.12Å; V345-Y347 HydrophobicContact CG1-CE2 3.38Å; V345-Y347 VanDerWaalsContact CG1-CZ 3.46Å; Y347-V359 CarbonylContact O-C 3.54Å; Y347-V359 VanDerWaalsContact O-CA 3.26Å; Y347-V359 WeakPolarHBondContact O-CA 3.16Å; Y347-K360 WeakPolarHBondContact CB-O 3.37Å; Y347-K360 WeakPolarHBondContact CD2-O 3.36Å; Y347-K360 PolarHBondContact N-O 2.83Å; Y347-K360 PolarHBondContact O-N 3Å; Y347-K362 HydrophobicContact CE2-CB 4.27Å |
| 348 | I | 85.9 | Confident | 70.8 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 113.9 | 170.2 | -42 | 173.9 | 0 | 0 | 0 | 106 | R280 I281 M296 I298 I313 L346 F350 Y358 V359 F370 | R280-I348 CarbonylContact C-O 3.59Å; R280-I348 VanDerWaalsContact CA-O 3.27Å; R280-I348 WeakPolarHBondContact CA-O 3.25Å; I281-I348 HydrophobicContact CB-CB 4.25Å; I281-I348 HydrophobicContact CB-CD1 4.3Å; I281-I348 HydrophobicContact CB-CG1 4.45Å; I281-I348 HydrophobicContact CD1-CD1 4.41Å; I281-I348 HydrophobicContact CG2-CD1 4.41Å; I281-I348 PolarHBondContact N-O 2.88Å; I281-I348 PolarHBondContact O-N 3.35Å; M296-I348 HydrophobicContact SD-CD1 3.96Å; I298-I348 HydrophobicContact CD1-CD1 3.6Å; I313-I348 HydrophobicContact CD1-CD1 3.54Å; I313-I348 HydrophobicContact CD1-CG1 4.37Å; L346-I348 HydrophobicContact CD2-CD1 4.32Å; L346-I348 HydrophobicContact CD2-CG1 4.36Å; L346-I348 HydrophobicContact CG-CG1 4.37Å; I348-F350 HydrophobicContact CB-CE2 4.3Å; I348-F350 HydrophobicContact CB-CZ 4.24Å; I348-F350 HydrophobicContact CG2-CE1 3.9Å; I348-F350 HydrophobicContact CG2-CE2 3.93Å; I348-F350 HydrophobicContact CG2-CZ 3.5Å; I348-F350 VanDerWaalsContact CG2-CZ 3.5Å; I348-Y358 WeakPolarHBondContact CA-O 3.29Å; I348-V359 HydrophobicContact CG1-CG2 4.19Å; I348-V359 HydrophobicContact CG2-CG2 4.49Å; I348-F370 HydrophobicContact CG2-CZ 4.35Å |
| 349 | K | 85.8 | Confident | 72.1 | Confident | 79 Ų | 79 | 46.8 Ų | 46.8 | 34% | 0.343 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.1 | 168.8 | -169.4 | -168.2 | 172.5 | -163 | 0 | 108.6 | E351 A357 Y358 | K349-E351 HydrophobicContact CD-CG 4.07Å; K349-E351 WeakPolarHBondContact CE-OE1 3.46Å; K349-E351 HydrophobicContact CG-CG 4.42Å; K349-E351 IonicContact NZ-OE1 3.05Å; K349-E351 PolarHBondContact NZ-OE1 2.86Å; K349-A357 CarbonylContact O-C 3.59Å; K349-A357 WeakPolarHBondContact O-CA 3.39Å; K349-A357 WeakPolarHBondContact O-CB 3.23Å; K349-Y358 HydrophobicContact CB-CD1 4.4Å; K349-Y358 HydrophobicContact CB-CD2 4.42Å; K349-Y358 HydrophobicContact CB-CE1 3.99Å; K349-Y358 HydrophobicContact CB-CE2 3.97Å; K349-Y358 HydrophobicContact CD-CE1 3.7Å; K349-Y358 WeakPolarHBondContact CD-OH 3.49Å; K349-Y358 HydrophobicContact CG-CE1 4.37Å; K349-Y358 PolarHBondContact N-O 3.44Å; K349-Y358 PolarHBondContact O-N 2.84Å |
| 350 | F | 85.4 | Confident | 73.1 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.022 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.2 | 171.8 | -58.7 | -79.9 | 0 | 0 | 0 | 109.4 | P278 S279 I281 I298 W300 I348 Y352 A357 L372 | P278-F350 WeakPolarHBondContact O-CD2 3.35Å; S279-F350 PolarHBondContact O-N 3.39Å; I281-F350 HydrophobicContact CB-CE2 4.5Å; I281-F350 HydrophobicContact CD1-CE2 3.63Å; I281-F350 HydrophobicContact CD1-CZ 3.84Å; I281-F350 HydrophobicContact CG1-CE2 3.89Å; I298-F350 HydrophobicContact CD1-CZ 4.19Å; W300-F350 HydrophobicContact CH2-CE1 4.29Å; W300-F350 HydrophobicContact CZ2-CD1 4.46Å; W300-F350 AromaticContact CZ2-CE1 3.64Å; W300-F350 HydrophobicContact CZ2-CE1 3.64Å; W300-F350 HydrophobicContact CZ2-CZ 4.17Å; I348-F350 HydrophobicContact CB-CE2 4.3Å; I348-F350 HydrophobicContact CB-CZ 4.24Å; I348-F350 HydrophobicContact CG2-CE1 3.9Å; I348-F350 HydrophobicContact CG2-CE2 3.93Å; I348-F350 HydrophobicContact CG2-CZ 3.5Å; I348-F350 VanDerWaalsContact CG2-CZ 3.5Å; F350-Y352 HydrophobicContact CB-CD2 4.21Å; F350-Y352 HydrophobicContact CB-CE1 4.27Å; F350-Y352 HydrophobicContact CB-CE2 3.61Å; F350-Y352 HydrophobicContact CG-CE2 4.49Å; F350-A357 HydrophobicContact CD1-CB 3.65Å; F350-A357 HydrophobicContact CE1-CB 3.9Å; F350-L372 HydrophobicContact CD1-CD1 4.13Å; F350-L372 HydrophobicContact CD1-CD2 4.36Å; F350-L372 HydrophobicContact CE1-CD2 4.39Å |
| 351 | E | 80 | Confident | 73.9 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 83.9 | 176.4 | -65.6 | 178.4 | 154.2 | 0 | 0 | 106.8 | K349 H353 T354 R355 S356 Y358 | K349-E351 HydrophobicContact CD-CG 4.07Å; K349-E351 WeakPolarHBondContact CE-OE1 3.46Å; K349-E351 HydrophobicContact CG-CG 4.42Å; K349-E351 IonicContact NZ-OE1 3.05Å; K349-E351 PolarHBondContact NZ-OE1 2.86Å; E351-H353 PolarHBondContact O-N 2.77Å; E351-T354 WeakPolarHBondContact CB-OG1 3.04Å; E351-T354 CarbonylContact O-C 3.52Å; E351-T354 PolarHBondContact O-N 2.79Å; E351-T354 PolarHBondContact O-OG1 2.94Å; E351-T354 VanDerWaalsContact O-OG1 3.12Å; E351-R355 WeakPolarHBondContact O-CA 3.46Å; E351-R355 PolarHBondContact O-N 3.13Å; E351-S356 WeakPolarHBondContact CA-O 3.04Å; E351-S356 PolarHBondContact N-O 2.77Å; E351-S356 PolarHBondContact O-N 2.82Å; E351-Y358 WeakPolarHBondContact OE1-CE1 3.16Å |
| 352 | Y | 76.6 | Confident | 74.2 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.8 | -171.1 | -66.6 | -73.8 | 0 | 0 | 0 | 113.9 | K96 Q277 P278 F350 R355 L372 | K96-Y352 HydrophobicContact CD-CD2 3.9Å; K96-Y352 HydrophobicContact CD-CE2 4.35Å; Q277-Y352 WeakPolarHBondContact CA-OH 3.07Å; Q277-Y352 HydrophobicContact CB-CE2 4.06Å; Q277-Y352 PolarHBondContact OE1-OH 2.92Å; P278-Y352 WeakPolarHBondContact CD-OH 3.47Å; P278-Y352 WeakPolarHBondContact O-CE2 3.37Å; P278-Y352 PolarHBondContact O-OH 3.2Å; F350-Y352 HydrophobicContact CB-CD2 4.21Å; F350-Y352 HydrophobicContact CB-CE1 4.27Å; F350-Y352 HydrophobicContact CB-CE2 3.61Å; F350-Y352 HydrophobicContact CG-CE2 4.49Å; Y352-R355 VanDerWaalsContact O-CG 3.28Å; Y352-R355 WeakPolarHBondContact O-CG 3.49Å; Y352-R355 PolarHBondContact O-N 3.2Å; Y352-L372 HydrophobicContact CE1-CD1 4.48Å |
| 353 | H | 69.3 | Low | 73.8 | Confident | 80 Ų | 80 | 39.4 Ų | 39.4 | 37% | 0.37 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -46.8 | 177 | 58.1 | -82.9 | 0 | 0 | 0 | 112.2 | C116 S117 E351 R355 | C116-H353 VanDerWaalsContact O-CA 3.26Å; C116-H353 WeakPolarHBondContact O-CA 3.37Å; C116-H353 WeakPolarHBondContact O-CB 3.26Å; S117-H353 WeakPolarHBondContact O-CB 3.36Å; E351-H353 PolarHBondContact O-N 2.77Å; H353-R355 VanDerWaalsContact C-N 3.29Å |
| 354 | T | 72.4 | Confident | 73.2 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.1 | 170.1 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | E351 S356 W371 | E351-T354 WeakPolarHBondContact CB-OG1 3.04Å; E351-T354 CarbonylContact O-C 3.52Å; E351-T354 PolarHBondContact O-N 2.79Å; E351-T354 PolarHBondContact O-OG1 2.94Å; E351-T354 VanDerWaalsContact O-OG1 3.12Å; T354-S356 PolarHBondContact O-N 2.88Å; T354-S356 PolarHBondContact OG1-OG 3.28Å; T354-W371 VanDerWaalsContact O-CZ3 3.25Å; T354-W371 WeakPolarHBondContact O-CZ3 3.44Å |
| 355 | R | 72.5 | Confident | 72.4 | Confident | 82 Ų | 82 | 45 Ų | 45 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 24.8 | -175.7 | -53.6 | 169.5 | -172.3 | 175 | -7.2 | 113.3 | E351 Y352 H353 L372 V375 | E351-R355 WeakPolarHBondContact O-CA 3.46Å; E351-R355 PolarHBondContact O-N 3.13Å; Y352-R355 VanDerWaalsContact O-CG 3.28Å; Y352-R355 WeakPolarHBondContact O-CG 3.49Å; Y352-R355 PolarHBondContact O-N 3.2Å; H353-R355 VanDerWaalsContact C-N 3.29Å; R355-L372 PolarHBondContact O-N 2.97Å; R355-V375 VanDerWaalsContact NH1-CG1 3.31Å; R355-V375 PolarHBondContact NH1-O 3.04Å |
| 356 | S | 78.2 | Confident | 71.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 150.5 | 171.7 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | E351 T354 Q369 F370 | E351-S356 WeakPolarHBondContact CA-O 3.04Å; E351-S356 PolarHBondContact N-O 2.77Å; E351-S356 PolarHBondContact O-N 2.82Å; T354-S356 PolarHBondContact O-N 2.88Å; T354-S356 PolarHBondContact OG1-OG 3.28Å; S356-Q369 PolarHBondContact OG-NE2 3Å; S356-F370 WeakPolarHBondContact CA-O 3.33Å |
| 357 | A | 77.7 | Confident | 71.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | K349 F350 Q369 F370 L372 | K349-A357 CarbonylContact O-C 3.59Å; K349-A357 WeakPolarHBondContact O-CA 3.39Å; K349-A357 WeakPolarHBondContact O-CB 3.23Å; F350-A357 HydrophobicContact CD1-CB 3.65Å; F350-A357 HydrophobicContact CE1-CB 3.9Å; A357-Q369 WeakPolarHBondContact O-CA 3.33Å; A357-F370 HydrophobicContact CB-CD1 4.44Å; A357-F370 HydrophobicContact CB-CD2 4.39Å; A357-F370 HydrophobicContact CB-CE1 3.75Å; A357-F370 HydrophobicContact CB-CE2 3.71Å; A357-F370 HydrophobicContact CB-CZ 3.34Å; A357-F370 PolarHBondContact N-O 2.78Å; A357-F370 VanDerWaalsContact O-CD1 3.31Å; A357-F370 WeakPolarHBondContact O-CD1 3.33Å; A357-F370 PolarHBondContact O-N 3.12Å; A357-F370 VanDerWaalsContact O-O 3.04Å; A357-L372 HydrophobicContact CB-CD1 4.3Å; A357-L372 HydrophobicContact CB-CD2 3.99Å; A357-L372 HydrophobicContact CB-CG 4.2Å |
| 358 | Y | 80 | Confident | 71 | Confident | 30 Ų | 30 | 54 Ų | 54 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.7 | 173.1 | 68 | -104.8 | 0 | 0 | 0 | 112 | I348 K349 E351 K360 R367 C368 | I348-Y358 WeakPolarHBondContact CA-O 3.29Å; K349-Y358 HydrophobicContact CB-CD1 4.4Å; K349-Y358 HydrophobicContact CB-CD2 4.42Å; K349-Y358 HydrophobicContact CB-CE1 3.99Å; K349-Y358 HydrophobicContact CB-CE2 3.97Å; K349-Y358 HydrophobicContact CD-CE1 3.7Å; K349-Y358 WeakPolarHBondContact CD-OH 3.49Å; K349-Y358 HydrophobicContact CG-CE1 4.37Å; K349-Y358 PolarHBondContact N-O 3.44Å; K349-Y358 PolarHBondContact O-N 2.84Å; E351-Y358 WeakPolarHBondContact OE1-CE1 3.16Å; Y358-K360 HydrophobicContact CD2-CB 4.29Å; Y358-K360 HydrophobicContact CE2-CB 4.22Å; Y358-R367 HydrophobicContact CD2-CB 4.37Å; Y358-R367 HydrophobicContact CD2-CG 4.27Å; Y358-R367 HydrophobicContact CG-CB 4.48Å; Y358-C368 CarbonylContact C-O 3.56Å; Y358-C368 VanDerWaalsContact CA-O 3.26Å; Y358-C368 WeakPolarHBondContact CA-O 3.39Å |
| 359 | V | 74.5 | Confident | 70.6 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.2 | 167.5 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | I323 L346 Y347 I348 C368 F370 | I323-V359 HydrophobicContact CD1-CB 3.76Å; I323-V359 HydrophobicContact CD1-CG1 4.43Å; I323-V359 HydrophobicContact CD1-CG2 3.34Å; I323-V359 HydrophobicContact CG1-CG2 4.43Å; L346-V359 HydrophobicContact CD1-CG1 3.41Å; L346-V359 VanDerWaalsContact CD1-CG1 3.41Å; L346-V359 HydrophobicContact CG-CG1 4.39Å; Y347-V359 CarbonylContact O-C 3.54Å; Y347-V359 VanDerWaalsContact O-CA 3.26Å; Y347-V359 WeakPolarHBondContact O-CA 3.16Å; I348-V359 HydrophobicContact CG1-CG2 4.19Å; I348-V359 HydrophobicContact CG2-CG2 4.49Å; V359-C368 HydrophobicContact CB-CB 4.04Å; V359-C368 PolarHBondContact N-O 3.49Å; V359-C368 PolarHBondContact O-N 2.59Å; V359-F370 HydrophobicContact CG2-CE1 4.16Å |
| 360 | K | 68.8 | Low | 70.2 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 149.3 | 167.1 | 177.3 | 171.7 | -178.1 | -175.4 | 0 | 109.1 | Y347 Y358 S364 | Y347-K360 WeakPolarHBondContact CB-O 3.37Å; Y347-K360 WeakPolarHBondContact CD2-O 3.36Å; Y347-K360 PolarHBondContact N-O 2.83Å; Y347-K360 PolarHBondContact O-N 3Å; Y358-K360 HydrophobicContact CD2-CB 4.29Å; Y358-K360 HydrophobicContact CE2-CB 4.22Å; K360-S364 WeakPolarHBondContact CE-O 3.43Å |
| 361 | T | 64.3 | Low | 69.6 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 156.1 | 169.4 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | L334 P335 V345 F363 S364 | L334-T361 HydrophobicContact CD2-CG2 3.51Å; P335-T361 VanDerWaalsContact CD-CB 3.41Å; P335-T361 WeakPolarHBondContact CD-OG1 3.37Å; P335-T361 WeakPolarHBondContact CG-OG1 3.31Å; V345-T361 VanDerWaalsContact O-CA 3.28Å; V345-T361 WeakPolarHBondContact O-CA 3.49Å; T361-F363 PolarHBondContact O-N 2.86Å; T361-F363 VanDerWaalsContact O-N 3.09Å; T361-S364 PolarHBondContact O-N 3.48Å; T361-S364 WeakPolarHBondContact OG1-CB 3.48Å |
| 362 | K | 56.2 | Low | 69.2 | Low | 123 Ų | 123 | 63 Ų | 63 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32 | -169.8 | -172.3 | 171.5 | 178.6 | 177.7 | 0 | 113.7 | V345 Y347 | V345-K362 HydrophobicContact CB-CB 4.08Å; V345-K362 HydrophobicContact CG2-CB 4.09Å; V345-K362 HydrophobicContact CG2-CD 4.18Å; Y347-K362 HydrophobicContact CE2-CB 4.27Å |
| 363 | F | 51.6 | Low | 68.6 | Low | 117 Ų | 117 | 62.2 Ų | 62.2 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 0.7 | -175 | -51.8 | -80.3 | 0 | 0 | 0 | 114.9 | P335 L337 T361 | P335-F363 HydrophobicContact CB-CB 3.81Å; P335-F363 HydrophobicContact CG-CB 3.74Å; P335-F363 HydrophobicContact CG-CD2 4.27Å; L337-F363 HydrophobicContact CD1-CE2 4.24Å; L337-F363 HydrophobicContact CD2-CE2 3.55Å; L337-F363 HydrophobicContact CD2-CZ 3.6Å; L337-F363 HydrophobicContact CG-CE2 3.68Å; L337-F363 HydrophobicContact CG-CZ 4.26Å; T361-F363 PolarHBondContact O-N 2.86Å; T361-F363 VanDerWaalsContact O-N 3.09Å |
| 364 | S | 53.7 | Low | 68.2 | Low | 20 Ų | 20 | 63.7 Ų | 63.7 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | trans | -95.5 | 137.1 | 175.2 | -165.9 | 0 | 0 | 0 | 0 | 112.2 | K360 T361 T366 | K360-S364 WeakPolarHBondContact CE-O 3.43Å; T361-S364 PolarHBondContact O-N 3.48Å; T361-S364 WeakPolarHBondContact OG1-CB 3.48Å; S364-T366 VanDerWaalsContact C-N 3.33Å; S364-T366 PolarHBondContact OG-N 3.31Å; S364-T366 PolarHBondContact OG-OG1 2.94Å | ||
| 365 | S | 56.4 | Low | 67.2 | Low | 118 Ų | 118 | 66 Ų | 66 | 83% | 0.825 | 33% | 0.326 | S | S | * | . | trans | -76.4 | -21.9 | 162.8 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 366 | T | 58.6 | Low | 66.5 | Low | 72 Ų | 72 | 68.7 Ų | 68.7 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | trans | -69.9 | 131.1 | 178.4 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | S364 | S364-T366 VanDerWaalsContact C-N 3.33Å; S364-T366 PolarHBondContact OG-N 3.31Å; S364-T366 PolarHBondContact OG-OG1 2.94Å | ||
| 367 | R | 67.2 | Low | 65.8 | Low | 160 Ų | 160 | 70.1 Ų | 70.1 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | trans | -102.6 | 121.1 | 168.5 | -63.9 | -174.6 | -172 | -175.9 | 3.4 | 108.2 | Y358 Q369 | Y358-R367 HydrophobicContact CD2-CB 4.37Å; Y358-R367 HydrophobicContact CD2-CG 4.27Å; Y358-R367 HydrophobicContact CG-CB 4.48Å; R367-Q369 PolarHBondContact O-N 2.92Å | ||
| 368 | C | 75.4 | Confident | 65.5 | Low | 14 Ų | 14 | 71 Ų | 71 | 10% | 0.095 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 85.7 | 174.1 | -112.2 | 0 | 0 | 0 | 0 | 109.8 | I323 L330 C332 Y358 V359 | I323-C368 HydrophobicContact CD1-CB 4.34Å; L330-C368 HydrophobicContact CD2-CB 3.74Å; L330-C368 VanDerWaalsContact CD2-SG 3.53Å; C332-C368 WeakPolarHBondContact CA-SG 3.05Å; C332-C368 HydrophobicContact CB-CB 3.83Å; C332-C368 WeakPolarHBondContact CB-SG 3.46Å; C332-C368 WeakPolarHBondContact SG-CB 3.27Å; C332-C368 CovalentContact SG-SG 2.02Å; C332-C368 PolarHBondContact SG-SG 2.8Å; Y358-C368 CarbonylContact C-O 3.56Å; Y358-C368 VanDerWaalsContact CA-O 3.26Å; Y358-C368 WeakPolarHBondContact CA-O 3.39Å; V359-C368 HydrophobicContact CB-CB 4.04Å; V359-C368 PolarHBondContact N-O 3.49Å; V359-C368 PolarHBondContact O-N 2.59Å |
| 369 | Q | 78.1 | Confident | 65.3 | Low | 101 Ų | 101 | 70.7 Ų | 70.7 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 134.3 | -179.2 | -172.4 | 173.3 | -10.6 | 0 | 0 | 111.5 | L330 S356 A357 R367 | L330-Q369 WeakPolarHBondContact CD2-O 3.02Å; S356-Q369 PolarHBondContact OG-NE2 3Å; A357-Q369 WeakPolarHBondContact O-CA 3.33Å; R367-Q369 PolarHBondContact O-N 2.92Å |
| 370 | F | 77.2 | Confident | 65.7 | Low | 14 Ų | 14 | 70.8 Ų | 70.8 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.9 | 173.8 | 63.6 | -83.5 | 0 | 0 | 0 | 110.2 | L311 I323 I348 S356 A357 V359 L372 | L311-F370 HydrophobicContact CD1-CD2 3.82Å; L311-F370 HydrophobicContact CD1-CE2 3.43Å; L311-F370 VanDerWaalsContact CD1-CE2 3.43Å; L311-F370 HydrophobicContact CD1-CZ 3.94Å; L311-F370 HydrophobicContact CD2-CE1 4.31Å; L311-F370 HydrophobicContact CD2-CE2 3.62Å; L311-F370 HydrophobicContact CD2-CZ 3.37Å; L311-F370 HydrophobicContact CG-CE2 4.16Å; L311-F370 HydrophobicContact CG-CZ 4.31Å; I323-F370 HydrophobicContact CD1-CD1 4.49Å; I323-F370 HydrophobicContact CG2-CD1 4.3Å; I323-F370 HydrophobicContact CG2-CE1 4.37Å; I348-F370 HydrophobicContact CG2-CZ 4.35Å; S356-F370 WeakPolarHBondContact CA-O 3.33Å; A357-F370 HydrophobicContact CB-CD1 4.44Å; A357-F370 HydrophobicContact CB-CD2 4.39Å; A357-F370 HydrophobicContact CB-CE1 3.75Å; A357-F370 HydrophobicContact CB-CE2 3.71Å; A357-F370 HydrophobicContact CB-CZ 3.34Å; A357-F370 PolarHBondContact N-O 2.78Å; A357-F370 VanDerWaalsContact O-CD1 3.31Å; A357-F370 WeakPolarHBondContact O-CD1 3.33Å; A357-F370 PolarHBondContact O-N 3.12Å; A357-F370 VanDerWaalsContact O-O 3.04Å; V359-F370 HydrophobicContact CG2-CE1 4.16Å; F370-L372 HydrophobicContact CE2-CD2 3.87Å |
| 371 | W | 74 | Confident | 66.6 | Low | 169 Ų | 169 | 66.7 Ų | 66.7 | 64% | 0.64 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.6 | -177.9 | -63.2 | 95 | 0 | 0 | 0 | 111.1 | T354 G373 | T354-W371 VanDerWaalsContact O-CZ3 3.25Å; T354-W371 WeakPolarHBondContact O-CZ3 3.44Å; W371-G373 PolarHBondContact O-N 3.19Å |
| 372 | L | 71.4 | Confident | 67.7 | Low | 23 Ų | 23 | 69.9 Ų | 69.9 | 12% | 0.12 | 35% | 0.35 | C | S | . | . | trans | -87 | 85 | 177.8 | -61.7 | 170.2 | 0 | 0 | 0 | 109.6 | W300 F350 Y352 R355 A357 F370 L379 | W300-L372 HydrophobicContact CH2-CD2 4.46Å; W300-L372 HydrophobicContact CZ2-CD2 4.11Å; F350-L372 HydrophobicContact CD1-CD1 4.13Å; F350-L372 HydrophobicContact CD1-CD2 4.36Å; F350-L372 HydrophobicContact CE1-CD2 4.39Å; Y352-L372 HydrophobicContact CE1-CD1 4.48Å; R355-L372 PolarHBondContact O-N 2.97Å; A357-L372 HydrophobicContact CB-CD1 4.3Å; A357-L372 HydrophobicContact CB-CD2 3.99Å; A357-L372 HydrophobicContact CB-CG 4.2Å; F370-L372 HydrophobicContact CE2-CD2 3.87Å; L372-L379 HydrophobicContact CB-CD1 3.9Å; L372-L379 VanDerWaalsContact O-CD1 3.25Å; L372-L379 WeakPolarHBondContact O-CD1 3.22Å | ||
| 373 | G | 63.8 | Low | 69.4 | Low | 26 Ų | 26 | 64.9 Ų | 64.9 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 77.6 | -147.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K327 W371 | K327-G373 PolarHBondContact NZ-O 3.16Å; W371-G373 PolarHBondContact O-N 3.19Å |
| 374 | D | 59.4 | Low | 71.4 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 59% | 0.594 | 31% | 0.307 | S | S | * | . | trans | -112.6 | 162 | 176.6 | -73.5 | -49.5 | 0 | 0 | 0 | 111.1 | K327 E376 | K327-D374 IonicContact NZ-OD1 2.65Å; K327-D374 PolarHBondContact NZ-OD1 2.9Å; K327-D374 IonicContact NZ-OD2 3.79Å; D374-E376 VanDerWaalsContact C-N 3.32Å; D374-E376 PolarHBondContact O-N 2.74Å; D374-E376 VanDerWaalsContact O-N 3.09Å | ||
| 375 | V | 51.3 | Low | 73.1 | Confident | 110 Ų | 110 | 59.2 Ų | 59.2 | 67% | 0.667 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8.5 | -149.7 | -173.9 | 0 | 0 | 0 | 0 | 115.7 | R355 | R355-V375 VanDerWaalsContact NH1-CG1 3.31Å; R355-V375 PolarHBondContact NH1-O 3.04Å |
| 376 | E | 58.2 | Low | 74.7 | Confident | 139 Ų | 139 | 53.6 Ų | 53.6 | 65% | 0.65 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -36 | -167.7 | -66.3 | -179.4 | 158.9 | 0 | 0 | 114.8 | R114 R305 D374 | R114-E376 PolarHBondContact NH1-O 2.93Å; R305-E376 IonicContact NH2-OE2 3.95Å; D374-E376 VanDerWaalsContact C-N 3.32Å; D374-E376 PolarHBondContact O-N 2.74Å; D374-E376 VanDerWaalsContact O-N 3.09Å |
| 377 | D | 64.1 | Low | 75.8 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -95.1 | 149.7 | -167.5 | -69.7 | -46.6 | 0 | 0 | 0 | 114.6 | N302 N304 R305 | N302-D377 VanDerWaalsContact ND2-CB 3.31Å; N302-D377 WeakPolarHBondContact ND2-CB 3.03Å; N302-D377 VanDerWaalsContact ND2-CG 3.27Å; N302-D377 PolarHBondContact ND2-OD2 2.88Å; N302-D377 WeakPolarHBondContact OD1-CB 3.29Å; N302-D377 VanDerWaalsContact OD1-CG 3.31Å; N304-D377 WeakPolarHBondContact CB-OD1 3.31Å; N304-D377 PolarHBondContact ND2-OD1 3.27Å; R305-D377 WeakPolarHBondContact CD-OD2 3.35Å; R305-D377 IonicContact CZ-OD2 3.91Å; R305-D377 IonicContact NE-OD2 3.54Å; R305-D377 PolarHBondContact NE-OD2 2.97Å; R305-D377 IonicContact NH2-OD2 2.97Å |
| 378 | I | 71.8 | Confident | 76 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 9% | 0.092 | 22% | 0.221 | C | C | . | . | trans | -82.9 | 120.9 | 172 | -59 | 178.4 | 0 | 0 | 0 | 108.7 | Y95 V97 F99 E303 I380 | Y95-I378 HydrophobicContact CD2-CG2 3.87Å; Y95-I378 HydrophobicContact CG-CG2 4.09Å; V97-I378 HydrophobicContact CG2-CD1 4.19Å; F99-I378 HydrophobicContact CE2-CD1 4.32Å; F99-I378 HydrophobicContact CZ-CD1 4.05Å; E303-I378 HydrophobicContact CB-CB 4.41Å; E303-I378 PolarHBondContact N-O 3.48Å; E303-I378 VanDerWaalsContact N-O 3.16Å; I378-I380 HydrophobicContact CG2-CG1 4.48Å | ||
| 379 | L | 75.8 | Confident | 75.5 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 116 | 177.8 | -67.2 | 174.1 | 0 | 0 | 0 | 110.4 | Q277 W300 H309 L372 | Q277-L379 PolarHBondContact NE2-O 3.28Å; Q277-L379 PolarHBondContact OE1-O 3.27Å; W300-L379 HydrophobicContact CB-CB 4.1Å; W300-L379 HydrophobicContact CB-CD2 4.31Å; W300-L379 HydrophobicContact CG-CB 4.07Å; H309-L379 HydrophobicContact CB-CD2 4.34Å; H309-L379 WeakPolarHBondContact CD2-CD2 3.39Å; L372-L379 HydrophobicContact CB-CD1 3.9Å; L372-L379 VanDerWaalsContact O-CD1 3.25Å; L372-L379 WeakPolarHBondContact O-CD1 3.22Å |
| 380 | I | 82 | Confident | 74.8 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.6 | -176.1 | -55.8 | 162.6 | 0 | 0 | 0 | 108.9 | Y95 S276 W300 Q301 E303 I378 K382 | Y95-I380 HydrophobicContact CD1-CG1 4.29Å; Y95-I380 HydrophobicContact CD1-CG2 4.41Å; Y95-I380 HydrophobicContact CD2-CD1 4.17Å; Y95-I380 HydrophobicContact CD2-CG1 3.99Å; Y95-I380 HydrophobicContact CE1-CD1 4.27Å; Y95-I380 HydrophobicContact CE1-CG1 4.05Å; Y95-I380 HydrophobicContact CE1-CG2 3.86Å; Y95-I380 HydrophobicContact CE2-CD1 3.49Å; Y95-I380 VanDerWaalsContact CE2-CD1 3.49Å; Y95-I380 HydrophobicContact CE2-CG1 3.77Å; Y95-I380 HydrophobicContact CG-CG1 4.26Å; S276-I380 WeakPolarHBondContact OG-CG2 3.45Å; W300-I380 CarbonylContact C-O 3.35Å; W300-I380 WeakPolarHBondContact CA-O 3.49Å; Q301-I380 PolarHBondContact N-O 3.12Å; Q301-I380 PolarHBondContact O-N 3.02Å; E303-I380 HydrophobicContact CB-CD1 4Å; E303-I380 HydrophobicContact CG-CD1 4.24Å; I378-I380 HydrophobicContact CG2-CG1 4.48Å; I380-K382 HydrophobicContact CG2-CD 4.26Å; I380-K382 PolarHBondContact O-N 3.04Å |
| 381 | L | 87.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 114.2 | -178.2 | -154.8 | 173.5 | 0 | 0 | 0 | 109.6 | L271 S276 P278 I298 W300 I384 | L271-L381 HydrophobicContact CD1-CD2 3.74Å; L271-L381 HydrophobicContact CD2-CD2 3.92Å; L271-L381 HydrophobicContact CG-CD2 4.38Å; S276-L381 VanDerWaalsContact CB-O 3.3Å; S276-L381 WeakPolarHBondContact CB-O 3.39Å; S276-L381 VanDerWaalsContact O-CB 3.29Å; S276-L381 WeakPolarHBondContact O-CB 3.01Å; S276-L381 PolarHBondContact O-N 3.26Å; P278-L381 HydrophobicContact CG-CD1 3.7Å; I298-L381 HydrophobicContact CG2-CD1 3.69Å; I298-L381 HydrophobicContact CG2-CD2 3.7Å; I298-L381 HydrophobicContact CG2-CG 3.63Å; W300-L381 HydrophobicContact CD2-CG 4.42Å; W300-L381 HydrophobicContact CG-CB 4.45Å; W300-L381 HydrophobicContact CZ2-CD1 4.16Å; W300-L381 HydrophobicContact CZ2-CG 4.32Å; L381-I384 HydrophobicContact CD2-CG1 3.95Å |
| 382 | K | 88.1 | Confident | 73.2 | Confident | 72 Ų | 72 | 46 Ų | 46 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -37.6 | -175.2 | -67.4 | -62.5 | 176.6 | 165.9 | 0 | 113.6 | R270 L271 S299 Q301 I380 | R270-K382 WeakPolarHBondContact CA-O 3.4Å; L271-K382 PolarHBondContact N-O 2.95Å; S299-K382 PolarHBondContact O-N 3.31Å; Q301-K382 HydrophobicContact CB-CD 4.32Å; Q301-K382 HydrophobicContact CB-CG 3.66Å; I380-K382 HydrophobicContact CG2-CD 4.26Å; I380-K382 PolarHBondContact O-N 3.04Å |
| 383 | S | 91.6 | Very high | 72.4 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 150.9 | 179.6 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | Y269 S299 | Y269-S383 CarbonylContact O-C 3.54Å; Y269-S383 WeakPolarHBondContact O-CA 3.25Å; Y269-S383 WeakPolarHBondContact O-CB 3.34Å; S299-S383 PolarHBondContact N-O 2.72Å; S299-S383 PolarHBondContact O-N 2.79Å |
| 384 | I | 92.9 | Very high | 72.4 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.4 | 167.1 | -56.1 | 159.7 | 0 | 0 | 0 | 106.6 | Y269 L271 I281 M296 V297 I298 L381 V386 F403 V405 | Y269-I384 HydrophobicContact CD1-CD1 4.41Å; Y269-I384 PolarHBondContact N-O 2.91Å; Y269-I384 PolarHBondContact O-N 2.83Å; L271-I384 HydrophobicContact CD1-CD1 4.07Å; L271-I384 HydrophobicContact CD1-CG1 4.06Å; I281-I384 HydrophobicContact CD1-CD1 3.43Å; I281-I384 VanDerWaalsContact CD1-CD1 3.43Å; I281-I384 HydrophobicContact CD1-CG1 4.01Å; I281-I384 HydrophobicContact CG1-CD1 3.87Å; M296-I384 HydrophobicContact CE-CG2 4.42Å; M296-I384 HydrophobicContact CG-CG2 3.99Å; M296-I384 HydrophobicContact SD-CG2 4.02Å; V297-I384 CarbonylContact O-C 3.48Å; I298-I384 HydrophobicContact CG1-CG1 4.37Å; I298-I384 HydrophobicContact CG1-CG2 4.3Å; I298-I384 HydrophobicContact CG2-CG1 4.26Å; L381-I384 HydrophobicContact CD2-CG1 3.95Å; I384-V386 HydrophobicContact CG2-CG2 4.37Å; I384-F403 HydrophobicContact CG2-CE2 4.43Å; I384-F403 HydrophobicContact CG2-CZ 3.8Å; I384-V405 HydrophobicContact CD1-CG1 4.31Å; I384-V405 HydrophobicContact CD1-CG2 3.44Å; I384-V405 VanDerWaalsContact CD1-CG2 3.44Å |
| 385 | Q | 90.1 | Very high | 73 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 141.5 | 177.9 | -176.3 | -179.2 | -59.8 | 0 | 0 | 109 | Q266 L267 L268 M296 V297 M388 D389 | Q266-Q385 HydrophobicContact CG-CG 3.78Å; L267-Q385 CarbonylContact O-C 3.6Å; L267-Q385 VanDerWaalsContact O-CA 3.29Å; L267-Q385 WeakPolarHBondContact O-CA 3.48Å; L268-Q385 HydrophobicContact CD1-CB 3.99Å; L268-Q385 HydrophobicContact CD1-CG 4.42Å; M296-Q385 CarbonylContact C-O 3.57Å; M296-Q385 WeakPolarHBondContact CA-O 3.22Å; M296-Q385 WeakPolarHBondContact CG-O 3.49Å; V297-Q385 HydrophobicContact CB-CB 4.38Å; V297-Q385 PolarHBondContact N-O 3.13Å; V297-Q385 PolarHBondContact O-N 2.67Å; Q385-M388 PolarHBondContact NE2-O 2.63Å; Q385-M388 VanDerWaalsContact NE2-O 3.08Å; Q385-D389 PolarHBondContact NE2-OD1 3.27Å |
| 386 | V | 89.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.9 | 179 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | F261 Q266 L267 I283 F295 M296 I384 I400 F403 | F261-V386 HydrophobicContact CE1-CG1 4.5Å; F261-V386 HydrophobicContact CZ-CG1 4.1Å; Q266-V386 WeakPolarHBondContact CA-O 3.22Å; L267-V386 PolarHBondContact N-O 3.07Å; L267-V386 PolarHBondContact O-N 3.47Å; I283-V386 HydrophobicContact CD1-CG1 4.5Å; F295-V386 HydrophobicContact CD2-CG1 4.46Å; F295-V386 HydrophobicContact CE2-CG1 4.16Å; F295-V386 CarbonylContact O-C 3.34Å; F295-V386 VanDerWaalsContact O-CA 3.3Å; F295-V386 WeakPolarHBondContact O-CA 3.35Å; M296-V386 HydrophobicContact CB-CG2 4.4Å; M296-V386 HydrophobicContact CE-CG2 3.83Å; M296-V386 HydrophobicContact CG-CG2 4.13Å; I384-V386 HydrophobicContact CG2-CG2 4.37Å; V386-I400 HydrophobicContact CG1-CD1 3.26Å; V386-F403 HydrophobicContact CB-CE1 4.49Å; V386-F403 HydrophobicContact CG2-CD1 4.45Å; V386-F403 HydrophobicContact CG2-CE1 3.57Å; V386-F403 HydrophobicContact CG2-CZ 3.75Å |
| 387 | G | 82.3 | Confident | 75.3 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.6 | -144.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F295 D389 | F295-G387 PolarHBondContact O-N 3.47Å; G387-D389 PolarHBondContact O-N 2.86Å |
| 388 | M | 71.6 | Confident | 76.1 | Confident | 20 Ų | 20 | 31.4 Ų | 31.4 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | trans | -59.1 | 130.4 | -175.1 | 175.4 | 173.6 | 61.8 | 0 | 0 | 113 | K264 Q265 Q266 Q385 N395 K425 | K264-M388 WeakPolarHBondContact O-CE 3.47Å; Q265-M388 PolarHBondContact O-N 2.72Å; Q266-M388 HydrophobicContact CB-CB 4.43Å; Q266-M388 VanDerWaalsContact CG-O 3.27Å; Q266-M388 WeakPolarHBondContact CG-O 3.49Å; Q385-M388 PolarHBondContact NE2-O 2.63Å; Q385-M388 VanDerWaalsContact NE2-O 3.08Å; M388-N395 WeakPolarHBondContact CA-OD1 3.34Å; M388-N395 HydrophobicContact CB-CB 4.24Å; M388-N395 VanDerWaalsContact CG-ND2 3.33Å; M388-N395 WeakPolarHBondContact CG-ND2 3.33Å; M388-N395 WeakPolarHBondContact CG-OD1 3.33Å; M388-N395 PolarHBondContact SD-ND2 2.03Å; M388-K425 HydrophobicContact CE-CD 4.18Å | ||
| 389 | D | 65.1 | Low | 76.6 | Confident | 50 Ų | 50 | 30.7 Ų | 30.7 | 27% | 0.267 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -112.8 | -38.3 | 172.2 | -168.7 | 50.8 | 0 | 0 | 0 | 113 | N294 V297 R310 Q385 G387 | N294-D389 HydrophobicContact CB-CB 4.25Å; V297-D389 HydrophobicContact CG2-CB 4.05Å; R310-D389 IonicContact NH2-OD1 2.75Å; R310-D389 PolarHBondContact NH2-OD1 3.24Å; R310-D389 IonicContact NH2-OD2 3.15Å; Q385-D389 PolarHBondContact NE2-OD1 3.27Å; G387-D389 PolarHBondContact O-N 2.86Å |
| 390 | S | 64.2 | Low | 77.2 | Confident | 39 Ų | 39 | 29.6 Ų | 29.6 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | trans | -131.2 | 143.2 | 173 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | D392 S393 N395 | S390-D392 PolarHBondContact O-N 3.43Å; S390-D392 PolarHBondContact OG-N 2.87Å; S390-S393 PolarHBondContact N-OG 3.21Å; S390-S393 PolarHBondContact O-N 2.8Å; S390-S393 PolarHBondContact O-OG 3.15Å; S390-N395 PolarHBondContact O-OD1 2.03Å | ||
| 391 | P | 58.1 | Low | 77.1 | Confident | 107 Ų | 107 | 33.9 Ų | 33.9 | 70% | 0.695 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.3 | 172.1 | 27.3 | -35.8 | 0 | 0 | 0 | 113.3 | ||
| 392 | D | 58.2 | Low | 76.9 | Confident | 152 Ų | 152 | 35.3 Ų | 35.3 | 81% | 0.813 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -10.6 | -177 | -54.2 | -49.4 | 0 | 0 | 0 | 113.3 | S390 | S390-D392 PolarHBondContact O-N 3.43Å; S390-D392 PolarHBondContact OG-N 2.87Å |
| 393 | S | 55.8 | Low | 77 | Confident | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -89.1 | 143.9 | 174.2 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | N294 S390 N395 | N294-S393 VanDerWaalsContact ND2-CB 3.34Å; N294-S393 WeakPolarHBondContact ND2-CB 3.4Å; N294-S393 PolarHBondContact ND2-OG 2.9Å; S390-S393 PolarHBondContact N-OG 3.21Å; S390-S393 PolarHBondContact O-N 2.8Å; S390-S393 PolarHBondContact O-OG 3.15Å; S393-N395 PolarHBondContact O-N 3.33Å; S393-N395 PolarHBondContact O-OD1 3.48Å |
| 394 | G | 62.6 | Low | 76.9 | Confident | 37 Ų | 37 | 31.2 Ų | 31.2 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -56.6 | 128.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | H293 N294 | H293-G394 WeakPolarHBondContact CA-O 3.35Å; H293-G394 WeakPolarHBondContact CB-O 3.36Å; H293-G394 VanDerWaalsContact ND1-CA 3.34Å; H293-G394 WeakPolarHBondContact ND1-CA 3.46Å; H293-G394 PolarHBondContact ND1-O 3.04Å; N294-G394 PolarHBondContact N-O 3.26Å; N294-G394 VanDerWaalsContact N-O 3.17Å |
| 395 | N | 72.4 | Confident | 76.9 | Confident | 24 Ų | 24 | 31.4 Ų | 31.4 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -100.5 | 151.6 | -174.6 | -65.5 | -37.5 | 0 | 0 | 0 | 111.1 | G263 H293 M388 S390 S393 V397 | G263-N395 WeakPolarHBondContact O-CB 3.34Å; G263-N395 PolarHBondContact O-ND2 3.3Å; H293-N395 PolarHBondContact CD2-O 2.84Å; M388-N395 WeakPolarHBondContact CA-OD1 3.34Å; M388-N395 HydrophobicContact CB-CB 4.24Å; M388-N395 VanDerWaalsContact CG-ND2 3.33Å; M388-N395 WeakPolarHBondContact CG-ND2 3.33Å; M388-N395 WeakPolarHBondContact CG-OD1 3.33Å; M388-N395 PolarHBondContact SD-ND2 2.03Å; S390-N395 PolarHBondContact O-OD1 2.03Å; S393-N395 PolarHBondContact O-N 3.33Å; S393-N395 PolarHBondContact O-OD1 3.48Å; N395-V397 PolarHBondContact O-N 2.95Å |
| 396 | F | 79.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 124.3 | 177 | 173.1 | -103.1 | 0 | 0 | 0 | 112.6 | F261 G263 A285 T286 N287 N294 F295 L315 I400 | F261-F396 HydrophobicContact CB-CD1 3.73Å; F261-F396 HydrophobicContact CB-CE1 3.97Å; F261-F396 HydrophobicContact CD1-CD1 4.34Å; F261-F396 HydrophobicContact CD2-CD1 4.09Å; F261-F396 AromaticContact CD2-CE1 3.85Å; F261-F396 HydrophobicContact CD2-CE1 3.85Å; F261-F396 AromaticContact CG-CD1 3.82Å; F261-F396 HydrophobicContact CG-CD1 3.82Å; F261-F396 HydrophobicContact CG-CE1 4.02Å; G263-F396 WeakPolarHBondContact CA-O 3.49Å; G263-F396 PolarHBondContact N-O 2.83Å; A285-F396 HydrophobicContact CB-CZ 4.33Å; T286-F396 WeakPolarHBondContact O-CE2 3.46Å; T286-F396 VanDerWaalsContact O-CZ 3.27Å; T286-F396 WeakPolarHBondContact O-CZ 3.48Å; N287-F396 HydrophobicContact CB-CE2 4.35Å; N294-F396 PolarHBondContact O-N 2.9Å; F295-F396 HydrophobicContact CD2-CB 4.08Å; F295-F396 HydrophobicContact CD2-CD1 4.06Å; F295-F396 AromaticContact CD2-CD2 3.43Å; F295-F396 HydrophobicContact CD2-CD2 3.43Å; F295-F396 VanDerWaalsContact CD2-CD2 3.43Å; F295-F396 HydrophobicContact CD2-CE1 4.39Å; F295-F396 AromaticContact CD2-CE2 3.78Å; F295-F396 HydrophobicContact CD2-CE2 3.78Å; F295-F396 AromaticContact CD2-CG 3.57Å; F295-F396 HydrophobicContact CD2-CG 3.57Å; F295-F396 HydrophobicContact CD2-CZ 4.25Å; F295-F396 HydrophobicContact CE2-CD1 4.21Å; F295-F396 AromaticContact CE2-CD2 3.91Å; F295-F396 HydrophobicContact CE2-CD2 3.91Å; F295-F396 HydrophobicContact CE2-CE1 4.1Å; F295-F396 AromaticContact CE2-CE2 3.76Å; F295-F396 HydrophobicContact CE2-CE2 3.76Å; F295-F396 HydrophobicContact CE2-CG 4.11Å; F295-F396 AromaticContact CE2-CZ 3.86Å; F295-F396 HydrophobicContact CE2-CZ 3.86Å; F295-F396 HydrophobicContact CG-CD2 4.42Å; L315-F396 HydrophobicContact CD1-CD2 3.94Å; L315-F396 HydrophobicContact CD1-CE2 4.16Å; F396-I400 HydrophobicContact CD1-CD1 4.3Å; F396-I400 HydrophobicContact CE1-CD1 3.74Å; F396-I400 HydrophobicContact CE1-CG1 3.6Å; F396-I400 HydrophobicContact CZ-CD1 4.32Å; F396-I400 HydrophobicContact CZ-CG1 3.94Å |
| 397 | V | 78.4 | Confident | 76.7 | Confident | 43 Ų | 43 | 34.3 Ų | 34.3 | 26% | 0.261 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.8 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | F261 N287 N288 A289 N395 | F261-V397 WeakPolarHBondContact O-CA 3.45Å; N287-V397 PolarHBondContact OD1-O 2.85Å; N288-V397 PolarHBondContact N-O 3.2Å; A289-V397 HydrophobicContact CB-CB 4.25Å; N395-V397 PolarHBondContact O-N 2.95Å |
| 398 | G | 81.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.3 | -175 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F261 T286 | F261-G398 PolarHBondContact N-O 3.45Å; F261-G398 PolarHBondContact O-N 3.45Å; T286-G398 WeakPolarHBondContact O-CA 3.48Å |
| 399 | C | 82.4 | Confident | 77.8 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 144.1 | -177.2 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | L259 A285 T286 K401 C432 | L259-C399 CarbonylContact O-C 3.58Å; A285-C399 CarbonylContact C-O 3.47Å; A285-C399 WeakPolarHBondContact CA-O 3.42Å; A285-C399 VanDerWaalsContact CB-O 3.27Å; A285-C399 WeakPolarHBondContact CB-O 3.19Å; T286-C399 HydrophobicContact CG2-CB 4.42Å; T286-C399 PolarHBondContact N-O 3.02Å; T286-C399 PolarHBondContact O-N 2.85Å; T286-C399 VanDerWaalsContact OG1-CB 3.28Å; T286-C399 WeakPolarHBondContact OG1-CB 3.09Å; T286-C399 PolarHBondContact OG1-N 2.87Å; C399-K401 VanDerWaalsContact SG-CE 3.54Å; C399-C432 HydrophobicContact CB-CB 3.78Å; C399-C432 WeakPolarHBondContact CB-SG 3.48Å; C399-C432 WeakPolarHBondContact SG-CB 3.31Å; C399-C432 CovalentContact SG-SG 2.03Å; C399-C432 PolarHBondContact SG-SG 3.49Å |
| 400 | I | 86.9 | Confident | 79 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.2 | 169.8 | -60.2 | -165.1 | 0 | 0 | 0 | 109 | A258 L259 F261 I283 A285 F295 V386 F396 F403 | A258-I400 CarbonylContact C-O 3.53Å; A258-I400 VanDerWaalsContact CA-O 3.24Å; A258-I400 WeakPolarHBondContact CA-O 3.32Å; L259-I400 PolarHBondContact N-O 3.43Å; L259-I400 PolarHBondContact O-N 2.83Å; F261-I400 HydrophobicContact CD2-CD1 3.86Å; F261-I400 HydrophobicContact CD2-CG1 3.93Å; F261-I400 HydrophobicContact CE2-CB 4.14Å; F261-I400 HydrophobicContact CE2-CD1 3.32Å; F261-I400 HydrophobicContact CE2-CG1 3.69Å; F261-I400 HydrophobicContact CZ-CD1 3.89Å; I283-I400 HydrophobicContact CD1-CD1 4.06Å; I283-I400 HydrophobicContact CD1-CG2 3.65Å; I283-I400 HydrophobicContact CG1-CG2 3.72Å; A285-I400 HydrophobicContact CB-CG1 4.26Å; F295-I400 HydrophobicContact CE2-CD1 3.74Å; F295-I400 HydrophobicContact CE2-CG1 4.4Å; F295-I400 HydrophobicContact CZ-CD1 4.28Å; V386-I400 HydrophobicContact CG1-CD1 3.26Å; F396-I400 HydrophobicContact CD1-CD1 4.3Å; F396-I400 HydrophobicContact CE1-CD1 3.74Å; F396-I400 HydrophobicContact CE1-CG1 3.6Å; F396-I400 HydrophobicContact CZ-CD1 4.32Å; F396-I400 HydrophobicContact CZ-CG1 3.94Å; I400-F403 HydrophobicContact CG2-CB 4.03Å |
| 401 | K | 81.4 | Confident | 80.1 | Confident | 96 Ų | 96 | 30.2 Ų | 30.2 | 42% | 0.417 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 154.6 | 177.7 | -62.4 | -174.1 | 176 | -176.2 | 0 | 108.6 | A258 T284 C399 F403 | A258-K401 HydrophobicContact CB-CD 4.43Å; A258-K401 HydrophobicContact CB-CG 3.78Å; T284-K401 CarbonylContact C-O 3.57Å; T284-K401 WeakPolarHBondContact CA-O 3.25Å; T284-K401 WeakPolarHBondContact CB-O 3.35Å; T284-K401 HydrophobicContact CG2-CB 4.3Å; T284-K401 PolarHBondContact N-O 2.75Å; T284-K401 CarbonylContact O-C 3.55Å; T284-K401 PolarHBondContact O-N 3.42Å; C399-K401 VanDerWaalsContact SG-CE 3.54Å; K401-F403 VanDerWaalsContact C-N 3.3Å; K401-F403 PolarHBondContact O-N 3.3Å; K401-F403 VanDerWaalsContact O-N 3.1Å |
| 402 | E | 81.8 | Confident | 81.2 | Confident | 31 Ų | 31 | 26.5 Ų | 26.5 | 15% | 0.145 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 45.9 | 172.4 | -51.7 | -173.9 | 119 | 0 | 0 | 114.6 | F243 G244 G246 T284 Y404 | F243-E402 HydrophobicContact CD2-CB 4.11Å; F243-E402 HydrophobicContact CE2-CB 3.85Å; F243-E402 WeakPolarHBondContact CE2-O 3.38Å; G244-E402 WeakPolarHBondContact CA-OE1 3.22Å; G244-E402 PolarHBondContact N-OE1 3.43Å; G246-E402 PolarHBondContact N-OE1 3.25Å; T284-E402 PolarHBondContact OG1-OE2 3.07Å; E402-Y404 HydrophobicContact CB-CD2 4.2Å; E402-Y404 HydrophobicContact CB-CE2 3.99Å; E402-Y404 WeakPolarHBondContact O-CD2 3.31Å; E402-Y404 PolarHBondContact O-N 2.87Å |
| 403 | F | 90.8 | Very high | 82.4 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 103.7 | 174.1 | -177.5 | -165.8 | 0 | 0 | 0 | 109.4 | L267 I281 A282 I283 M296 I384 V386 I400 K401 V405 S409 I410 V411 | L267-F403 HydrophobicContact CD2-CD1 4.29Å; L267-F403 HydrophobicContact CD2-CE1 4.2Å; I281-F403 HydrophobicContact CG2-CD2 4.47Å; I281-F403 HydrophobicContact CG2-CE2 3.9Å; A282-F403 CarbonylContact O-C 3.52Å; A282-F403 WeakPolarHBondContact O-CA 3.26Å; I283-F403 HydrophobicContact CB-CB 4.46Å; I283-F403 HydrophobicContact CB-CD2 4.03Å; I283-F403 HydrophobicContact CB-CG 4.42Å; I283-F403 HydrophobicContact CD1-CB 3.97Å; I283-F403 HydrophobicContact CD1-CD1 3.93Å; I283-F403 HydrophobicContact CD1-CD2 3.77Å; I283-F403 HydrophobicContact CD1-CE1 4.41Å; I283-F403 HydrophobicContact CD1-CE2 4.27Å; I283-F403 HydrophobicContact CD1-CG 3.6Å; I283-F403 HydrophobicContact CG1-CB 3.89Å; I283-F403 HydrophobicContact CG1-CD2 4.11Å; I283-F403 HydrophobicContact CG1-CG 4Å; M296-F403 HydrophobicContact CE-CE2 4.07Å; M296-F403 HydrophobicContact CE-CZ 4.24Å; I384-F403 HydrophobicContact CG2-CE2 4.43Å; I384-F403 HydrophobicContact CG2-CZ 3.8Å; V386-F403 HydrophobicContact CB-CE1 4.49Å; V386-F403 HydrophobicContact CG2-CD1 4.45Å; V386-F403 HydrophobicContact CG2-CE1 3.57Å; V386-F403 HydrophobicContact CG2-CZ 3.75Å; I400-F403 HydrophobicContact CG2-CB 4.03Å; K401-F403 VanDerWaalsContact C-N 3.3Å; K401-F403 PolarHBondContact O-N 3.3Å; K401-F403 VanDerWaalsContact O-N 3.1Å; F403-V405 HydrophobicContact CE2-CG2 4.31Å; F403-S409 CarbonylContact O-C 3.48Å; F403-I410 HydrophobicContact CB-CB 4.44Å; F403-I410 HydrophobicContact CD1-CB 3.62Å; F403-I410 HydrophobicContact CD1-CG1 4.38Å; F403-I410 HydrophobicContact CD1-CG2 3.74Å; F403-I410 HydrophobicContact CD2-CB 4.31Å; F403-I410 HydrophobicContact CD2-CG1 4.27Å; F403-I410 HydrophobicContact CE1-CB 3.79Å; F403-I410 HydrophobicContact CE1-CG1 4.29Å; F403-I410 HydrophobicContact CE1-CG2 3.5Å; F403-I410 HydrophobicContact CE2-CB 4.44Å; F403-I410 HydrophobicContact CE2-CG1 4.18Å; F403-I410 HydrophobicContact CG-CB 3.88Å; F403-I410 HydrophobicContact CG-CG1 4.35Å; F403-I410 HydrophobicContact CG-CG2 4.49Å; F403-I410 HydrophobicContact CZ-CB 4.19Å; F403-I410 HydrophobicContact CZ-CG1 4.18Å; F403-I410 HydrophobicContact CZ-CG2 4.09Å; F403-I410 PolarHBondContact O-N 2.85Å; F403-V411 HydrophobicContact CB-CG2 3.94Å |
| 404 | Y | 90.8 | Very high | 83.7 | Confident | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.4 | -179.9 | -72.7 | -96.4 | 0 | 0 | 0 | 112.4 | C242 F243 Y247 D248 I281 A282 E402 T408 | C242-Y404 HydrophobicContact CB-CE1 4.32Å; C242-Y404 WeakPolarHBondContact CB-OH 3.49Å; F243-Y404 HydrophobicContact CB-CD2 4.09Å; F243-Y404 HydrophobicContact CB-CE2 4.39Å; F243-Y404 HydrophobicContact CB-CG 4.43Å; F243-Y404 AromaticContact CD2-CD2 3.75Å; F243-Y404 HydrophobicContact CD2-CD2 3.75Å; F243-Y404 HydrophobicContact CD2-CE2 4.43Å; F243-Y404 HydrophobicContact CD2-CG 4.45Å; F243-Y404 HydrophobicContact CG-CD2 4.44Å; Y247-Y404 PolarHBondContact O-OH 2.85Å; D248-Y404 PolarHBondContact OD1-OH 2.86Å; I281-Y404 WeakPolarHBondContact CA-O 3.3Å; A282-Y404 PolarHBondContact N-O 2.81Å; A282-Y404 PolarHBondContact O-N 3.16Å; E402-Y404 HydrophobicContact CB-CD2 4.2Å; E402-Y404 HydrophobicContact CB-CE2 3.99Å; E402-Y404 WeakPolarHBondContact O-CD2 3.31Å; E402-Y404 PolarHBondContact O-N 2.87Å; Y404-T408 VanDerWaalsContact CA-O 3.29Å; Y404-T408 WeakPolarHBondContact CA-O 3.47Å |
| 405 | V | 91.7 | Very high | 84.3 | Confident | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.03 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.2 | 164 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | Y269 L271 P278 I281 I384 F403 Y407 T408 I410 | Y269-V405 HydrophobicContact CD1-CG2 4.22Å; Y269-V405 HydrophobicContact CE1-CB 4.4Å; Y269-V405 HydrophobicContact CE1-CG2 4.12Å; L271-V405 HydrophobicContact CD2-CG1 4.27Å; P278-V405 HydrophobicContact CB-CG1 3.59Å; P278-V405 HydrophobicContact CG-CG1 4Å; I281-V405 HydrophobicContact CG1-CG2 4.29Å; I384-V405 HydrophobicContact CD1-CG1 4.31Å; I384-V405 HydrophobicContact CD1-CG2 3.44Å; I384-V405 VanDerWaalsContact CD1-CG2 3.44Å; F403-V405 HydrophobicContact CE2-CG2 4.31Å; V405-Y407 PolarHBondContact O-N 2.96Å; V405-T408 PolarHBondContact N-O 2.91Å; V405-T408 WeakPolarHBondContact O-CB 3.42Å; V405-T408 PolarHBondContact O-N 2.97Å; V405-T408 PolarHBondContact O-OG1 2.91Å; V405-I410 HydrophobicContact CB-CD1 4.05Å; V405-I410 HydrophobicContact CB-CG1 4.24Å; V405-I410 HydrophobicContact CG2-CD1 3.71Å; V405-I410 HydrophobicContact CG2-CG1 3.51Å |
| 406 | D | 88.7 | Confident | 84.3 | Confident | 30 Ų | 30 | 22.4 Ų | 22.4 | 16% | 0.16 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -91.5 | -159 | -71.2 | -33.9 | 0 | 0 | 0 | 113.4 | P278 S279 R280 | P278-D406 WeakPolarHBondContact CA-OD2 3.43Å; S279-D406 WeakPolarHBondContact CA-OD1 3.4Å; S279-D406 WeakPolarHBondContact CB-OD1 3.43Å; S279-D406 PolarHBondContact N-OD1 2.89Å; S279-D406 PolarHBondContact N-OD2 2.82Å; S279-D406 VanDerWaalsContact N-OD2 3.17Å; R280-D406 WeakPolarHBondContact CG-OD1 3.44Å; R280-D406 PolarHBondContact N-OD1 3.26Å; R280-D406 PolarHBondContact O-N 3.08Å |
| 407 | Y | 86.9 | Confident | 83.5 | Confident | 46 Ų | 46 | 27.8 Ų | 27.8 | 18% | 0.18 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 20 | -178.5 | -36.8 | -78.1 | 0 | 0 | 0 | 111.4 | I232 F234 N241 V405 | I232-Y407 HydrophobicContact CB-CE2 4.44Å; I232-Y407 HydrophobicContact CD1-CD1 4.19Å; I232-Y407 HydrophobicContact CD1-CE1 3.59Å; I232-Y407 HydrophobicContact CG1-CD1 3.7Å; I232-Y407 HydrophobicContact CG1-CD2 4.21Å; I232-Y407 HydrophobicContact CG1-CE1 3.58Å; I232-Y407 HydrophobicContact CG1-CE2 4.13Å; I232-Y407 HydrophobicContact CG1-CG 3.98Å; I232-Y407 HydrophobicContact CG2-CD2 4.1Å; I232-Y407 HydrophobicContact CG2-CE2 3.72Å; F234-Y407 HydrophobicContact CE2-CD2 4.14Å; F234-Y407 AromaticContact CZ-CD2 3.78Å; F234-Y407 HydrophobicContact CZ-CD2 3.78Å; F234-Y407 HydrophobicContact CZ-CE2 4.12Å; N241-Y407 HydrophobicContact CB-CD1 3.8Å; N241-Y407 HydrophobicContact CB-CE1 4.16Å; V405-Y407 PolarHBondContact O-N 2.96Å |
| 408 | T | 86.9 | Confident | 82.7 | Confident | 18 Ų | 18 | 29 Ų | 29 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 113.5 | 175.9 | -45.8 | 0 | 0 | 0 | 0 | 108.6 | R239 Y404 V405 I410 K413 | R239-T408 PolarHBondContact NH1-OG1 2.85Å; Y404-T408 VanDerWaalsContact CA-O 3.29Å; Y404-T408 WeakPolarHBondContact CA-O 3.47Å; V405-T408 PolarHBondContact N-O 2.91Å; V405-T408 WeakPolarHBondContact O-CB 3.42Å; V405-T408 PolarHBondContact O-N 2.97Å; V405-T408 PolarHBondContact O-OG1 2.91Å; T408-I410 HydrophobicContact CG2-CD1 4.16Å; T408-I410 PolarHBondContact O-N 2.86Å; T408-K413 HydrophobicContact CG2-CD 3.92Å; T408-K413 VanDerWaalsContact CG2-CE 3.47Å |
| 409 | S | 89.2 | Confident | 82.4 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 117.3 | 169.6 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | D248 F403 A412 K413 | D248-S409 VanDerWaalsContact CG-OG 3.3Å; D248-S409 WeakPolarHBondContact OD1-CB 3.26Å; D248-S409 PolarHBondContact OD1-OG 3.24Å; D248-S409 VanDerWaalsContact OD2-CB 3.31Å; D248-S409 WeakPolarHBondContact OD2-CB 3.41Å; D248-S409 PolarHBondContact OD2-OG 3.41Å; F403-S409 CarbonylContact O-C 3.48Å; S409-A412 WeakPolarHBondContact OG-CB 3.02Å; S409-A412 PolarHBondContact OG-N 2.73Å; S409-K413 PolarHBondContact O-N 2.71Å |
| 410 | I | 90.5 | Very high | 82 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -81.6 | -26 | 175.3 | -51.7 | -50.2 | 0 | 0 | 0 | 110.4 | L267 Y269 F403 V405 T408 A412 K413 A414 T422 | L267-I410 HydrophobicContact CD2-CG2 4.34Å; Y269-I410 HydrophobicContact CD1-CD1 3.55Å; Y269-I410 HydrophobicContact CD1-CG1 4.19Å; Y269-I410 HydrophobicContact CD1-CG2 4.49Å; Y269-I410 HydrophobicContact CD2-CD1 4.17Å; Y269-I410 HydrophobicContact CE1-CD1 3.41Å; Y269-I410 VanDerWaalsContact CE1-CD1 3.41Å; Y269-I410 HydrophobicContact CE1-CG1 4.43Å; Y269-I410 HydrophobicContact CE2-CD1 4.06Å; Y269-I410 HydrophobicContact CG-CD1 3.93Å; Y269-I410 HydrophobicContact CG-CG2 4.08Å; F403-I410 HydrophobicContact CB-CB 4.44Å; F403-I410 HydrophobicContact CD1-CB 3.62Å; F403-I410 HydrophobicContact CD1-CG1 4.38Å; F403-I410 HydrophobicContact CD1-CG2 3.74Å; F403-I410 HydrophobicContact CD2-CB 4.31Å; F403-I410 HydrophobicContact CD2-CG1 4.27Å; F403-I410 HydrophobicContact CE1-CB 3.79Å; F403-I410 HydrophobicContact CE1-CG1 4.29Å; F403-I410 HydrophobicContact CE1-CG2 3.5Å; F403-I410 HydrophobicContact CE2-CB 4.44Å; F403-I410 HydrophobicContact CE2-CG1 4.18Å; F403-I410 HydrophobicContact CG-CB 3.88Å; F403-I410 HydrophobicContact CG-CG1 4.35Å; F403-I410 HydrophobicContact CG-CG2 4.49Å; F403-I410 HydrophobicContact CZ-CB 4.19Å; F403-I410 HydrophobicContact CZ-CG1 4.18Å; F403-I410 HydrophobicContact CZ-CG2 4.09Å; F403-I410 PolarHBondContact O-N 2.85Å; V405-I410 HydrophobicContact CB-CD1 4.05Å; V405-I410 HydrophobicContact CB-CG1 4.24Å; V405-I410 HydrophobicContact CG2-CD1 3.71Å; V405-I410 HydrophobicContact CG2-CG1 3.51Å; T408-I410 HydrophobicContact CG2-CD1 4.16Å; T408-I410 PolarHBondContact O-N 2.86Å; I410-A412 VanDerWaalsContact C-N 3.34Å; I410-K413 PolarHBondContact O-N 2.85Å; I410-A414 VanDerWaalsContact O-CB 3.31Å; I410-A414 WeakPolarHBondContact O-CB 3.24Å; I410-A414 PolarHBondContact O-N 2.97Å; I410-T422 HydrophobicContact CG2-CG2 4.34Å |
| 411 | V | 87.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -49.4 | 166.3 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | K257 L259 F403 K413 A414 I415 | K257-V411 HydrophobicContact CB-CB 4.37Å; K257-V411 HydrophobicContact CB-CG1 3.42Å; K257-V411 VanDerWaalsContact CB-CG1 3.42Å; L259-V411 HydrophobicContact CD1-CB 4.41Å; L259-V411 HydrophobicContact CD1-CG1 4.22Å; L259-V411 HydrophobicContact CD1-CG2 4.12Å; L259-V411 HydrophobicContact CD2-CG1 4.33Å; L259-V411 HydrophobicContact CG-CG1 3.91Å; L259-V411 HydrophobicContact CG-CG2 4.29Å; F403-V411 HydrophobicContact CB-CG2 3.94Å; V411-K413 PolarHBondContact O-N 3.37Å; V411-A414 PolarHBondContact O-N 3.18Å; V411-A414 VanDerWaalsContact O-N 3.15Å; V411-I415 WeakPolarHBondContact O-CG1 3.24Å; V411-I415 PolarHBondContact O-N 2.94Å |
| 412 | A | 80.9 | Confident | 82 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 24% | 0.24 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -21.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S409 I410 I415 | S409-A412 WeakPolarHBondContact OG-CB 3.02Å; S409-A412 PolarHBondContact OG-N 2.73Å; I410-A412 VanDerWaalsContact C-N 3.34Å; A412-I415 HydrophobicContact CB-CD1 4.47Å; A412-I415 WeakPolarHBondContact O-CD1 3.02Å; A412-I415 WeakPolarHBondContact O-CG1 3.06Å |
| 413 | K | 83.8 | Confident | 82 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 22% | 0.222 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -83.6 | -39.8 | 170.6 | -71.1 | -167.9 | 163.4 | -61.8 | 0 | 113.3 | Y269 T408 S409 I410 V411 I415 D416 D419 T422 | Y269-K413 HydrophobicContact CD2-CD 4.49Å; Y269-K413 HydrophobicContact CE2-CD 3.82Å; T408-K413 HydrophobicContact CG2-CD 3.92Å; T408-K413 VanDerWaalsContact CG2-CE 3.47Å; S409-K413 PolarHBondContact O-N 2.71Å; I410-K413 PolarHBondContact O-N 2.85Å; V411-K413 PolarHBondContact O-N 3.37Å; K413-I415 VanDerWaalsContact C-N 3.29Å; K413-I415 PolarHBondContact O-N 2.71Å; K413-D416 WeakPolarHBondContact O-CB 3.21Å; K413-D416 PolarHBondContact O-N 2.86Å; K413-D419 HydrophobicContact CB-CB 4.45Å; K413-D419 IonicContact NZ-OD1 3.7Å; K413-D419 PolarHBondContact NZ-OD1 2.85Å; K413-T422 HydrophobicContact CB-CG2 3.68Å; K413-T422 PolarHBondContact O-OG1 3.43Å; K413-T422 VanDerWaalsContact O-OG1 3.06Å |
| 414 | A | 83.9 | Confident | 81.5 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L259 L267 I410 V411 D416 I424 | L259-A414 HydrophobicContact CD1-CB 3.83Å; L267-A414 HydrophobicContact CD1-CB 3.57Å; L267-A414 HydrophobicContact CD2-CB 3.93Å; L267-A414 HydrophobicContact CG-CB 4.43Å; I410-A414 VanDerWaalsContact O-CB 3.31Å; I410-A414 WeakPolarHBondContact O-CB 3.24Å; I410-A414 PolarHBondContact O-N 2.97Å; V411-A414 PolarHBondContact O-N 3.18Å; V411-A414 VanDerWaalsContact O-N 3.15Å; A414-D416 VanDerWaalsContact C-N 3.3Å; A414-I424 HydrophobicContact CB-CD1 4.26Å; A414-I424 WeakPolarHBondContact O-CD1 3.06Å |
| 415 | I | 75.9 | Confident | 80.8 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.185 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.7 | 174.3 | 60 | 171.1 | 0 | 0 | 0 | 114.1 | K257 L259 V411 A412 K413 P417 I430 F451 | K257-I415 HydrophobicContact CD-CD1 4.11Å; L259-I415 HydrophobicContact CD2-CG2 4Å; V411-I415 WeakPolarHBondContact O-CG1 3.24Å; V411-I415 PolarHBondContact O-N 2.94Å; A412-I415 HydrophobicContact CB-CD1 4.47Å; A412-I415 WeakPolarHBondContact O-CD1 3.02Å; A412-I415 WeakPolarHBondContact O-CG1 3.06Å; K413-I415 VanDerWaalsContact C-N 3.29Å; K413-I415 PolarHBondContact O-N 2.71Å; I415-P417 WeakPolarHBondContact O-CD 3.1Å; I415-I430 HydrophobicContact CG2-CD1 4.08Å; I415-I430 HydrophobicContact CG2-CG1 4.42Å; I415-I430 HydrophobicContact CG2-CG2 4.13Å; I415-F451 HydrophobicContact CB-CD1 4.34Å; I415-F451 HydrophobicContact CD1-CB 4.39Å; I415-F451 HydrophobicContact CD1-CD1 3.21Å; I415-F451 HydrophobicContact CD1-CE1 3.77Å; I415-F451 HydrophobicContact CD1-CG 4.22Å; I415-F451 HydrophobicContact CG1-CD1 4.31Å; I415-F451 HydrophobicContact CG2-CD1 4.09Å; I415-F451 HydrophobicContact CG2-CE1 3.85Å |
| 416 | D | 71.4 | Confident | 79.8 | Confident | 59 Ų | 59 | 48.8 Ų | 48.8 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | trans | -81.7 | 107.7 | -172.4 | 172.6 | 7.4 | 0 | 0 | 0 | 106.3 | K413 A414 Y418 D419 | K413-D416 WeakPolarHBondContact O-CB 3.21Å; K413-D416 PolarHBondContact O-N 2.86Å; A414-D416 VanDerWaalsContact C-N 3.3Å; D416-Y418 PolarHBondContact O-N 2.83Å; D416-Y418 WeakPolarHBondContact OD1-CA 2.97Å; D416-Y418 VanDerWaalsContact OD1-CB 3.28Å; D416-Y418 WeakPolarHBondContact OD1-CB 3.09Å; D416-Y418 PolarHBondContact OD1-N 2.86Å; D416-D419 HydrophobicContact CB-CB 4.26Å; D416-D419 PolarHBondContact O-N 2.82Å | ||
| 417 | P | 63.5 | Low | 79 | Confident | 113 Ų | 113 | 53.1 Ų | 53.1 | 73% | 0.734 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -8.9 | -176.9 | 30.6 | -35.8 | 0 | 0 | 0 | 112 | I415 | I415-P417 WeakPolarHBondContact O-CD 3.1Š|
| 418 | Y | 60.2 | Low | 78.3 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -8.4 | -177.9 | -56.3 | -64.1 | 0 | 0 | 0 | 114.7 | D416 A420 R794 | D416-Y418 PolarHBondContact O-N 2.83Å; D416-Y418 WeakPolarHBondContact OD1-CA 2.97Å; D416-Y418 VanDerWaalsContact OD1-CB 3.28Å; D416-Y418 WeakPolarHBondContact OD1-CB 3.09Å; D416-Y418 PolarHBondContact OD1-N 2.86Å; Y418-A420 PolarHBondContact O-N 2.92Å; Y418-R794 PolarHBondContact O-NH2 2.86Å |
| 419 | D | 75 | Confident | 77.6 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 10% | 0.096 | 27% | 0.274 | C | S | . | . | trans | -74.6 | 110.1 | 175.1 | -172.5 | 98.5 | 0 | 0 | 0 | 110.7 | K413 D416 N421 T422 | K413-D419 HydrophobicContact CB-CB 4.45Å; K413-D419 IonicContact NZ-OD1 3.7Å; K413-D419 PolarHBondContact NZ-OD1 2.85Å; D416-D419 HydrophobicContact CB-CB 4.26Å; D416-D419 PolarHBondContact O-N 2.82Å; D419-N421 PolarHBondContact O-N 3.44Å; D419-N421 PolarHBondContact OD1-ND2 3.34Å; D419-N421 VanDerWaalsContact OD2-CA 3.27Å; D419-N421 WeakPolarHBondContact OD2-CA 3.41Å; D419-N421 WeakPolarHBondContact OD2-CB 3.39Å; D419-N421 PolarHBondContact OD2-N 2.93Å; D419-N421 PolarHBondContact OD2-ND2 3.3Å; D419-T422 WeakPolarHBondContact CB-OG1 3.35Å; D419-T422 PolarHBondContact O-OG1 2.86Å; D419-T422 PolarHBondContact OD2-N 2.79Å; D419-T422 PolarHBondContact OD2-OG1 3.31Å | ||
| 420 | A | 74.1 | Confident | 76.9 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -73.6 | -8.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y418 | Y418-A420 PolarHBondContact O-N 2.92Š|
| 421 | N | 82.3 | Confident | 76 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -96.7 | -33.6 | -174.9 | -41.2 | -82.6 | 0 | 0 | 0 | 111.3 | Y269 R270 D419 | Y269-N421 HydrophobicContact CD2-CB 4.35Å; Y269-N421 HydrophobicContact CE2-CB 4.11Å; R270-N421 PolarHBondContact N-O 3.27Å; R270-N421 WeakPolarHBondContact O-CB 3.02Å; D419-N421 PolarHBondContact O-N 3.44Å; D419-N421 PolarHBondContact OD1-ND2 3.34Å; D419-N421 VanDerWaalsContact OD2-CA 3.27Å; D419-N421 WeakPolarHBondContact OD2-CA 3.41Å; D419-N421 WeakPolarHBondContact OD2-CB 3.39Å; D419-N421 PolarHBondContact OD2-N 2.93Å; D419-N421 PolarHBondContact OD2-ND2 3.3Å |
| 422 | T | 85.8 | Confident | 75.1 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 140.3 | 164.5 | 37.2 | 0 | 0 | 0 | 0 | 111.7 | L267 L268 Y269 I410 K413 D419 | L267-T422 HydrophobicContact CD1-CG2 4.16Å; L268-T422 CarbonylContact O-C 3.5Å; L268-T422 VanDerWaalsContact O-CA 3.32Å; L268-T422 WeakPolarHBondContact O-CA 3.45Å; Y269-T422 HydrophobicContact CD2-CG2 3.76Å; Y269-T422 HydrophobicContact CG-CG2 4.4Å; I410-T422 HydrophobicContact CG2-CG2 4.34Å; K413-T422 HydrophobicContact CB-CG2 3.68Å; K413-T422 PolarHBondContact O-OG1 3.43Å; K413-T422 VanDerWaalsContact O-OG1 3.06Å; D419-T422 WeakPolarHBondContact CB-OG1 3.35Å; D419-T422 PolarHBondContact O-OG1 2.86Å; D419-T422 PolarHBondContact OD2-N 2.79Å; D419-T422 PolarHBondContact OD2-OG1 3.31Å |
| 423 | R | 83.2 | Confident | 74 | Confident | 155 Ų | 155 | 55.6 Ų | 55.6 | 59% | 0.585 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.8 | 164.6 | -64.8 | -167.7 | -173.7 | -178.9 | -2.5 | 108.9 | L268 | L268-R423 PolarHBondContact N-O 3.44Å; L268-R423 PolarHBondContact O-N 3.38Å |
| 424 | I | 79.7 | Confident | 72.5 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 30% | 0.303 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.2 | 172.8 | -49.3 | 168.9 | 0 | 0 | 0 | 107.6 | Q266 L267 A414 H426 I428 | Q266-I424 WeakPolarHBondContact O-CA 3.41Å; L267-I424 HydrophobicContact CD1-CG1 4Å; A414-I424 HydrophobicContact CB-CD1 4.26Å; A414-I424 WeakPolarHBondContact O-CD1 3.06Å; I424-H426 WeakPolarHBondContact CG2-O 3.5Å; I424-I428 HydrophobicContact CD1-CB 4.48Å; I424-I428 HydrophobicContact CD1-CG2 3.64Å; I424-I428 HydrophobicContact CG2-CB 3.96Å; I424-I428 HydrophobicContact CG2-CG2 4.28Å |
| 425 | K | 75.2 | Confident | 70.8 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 48% | 0.478 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.4 | 169.5 | -168.9 | -174.6 | 179.5 | -175 | 0 | 107.7 | Q265 Q266 M388 | Q265-K425 VanDerWaalsContact CA-O 3.32Å; Q265-K425 WeakPolarHBondContact CA-O 3.48Å; Q266-K425 HydrophobicContact CB-CB 4Å; Q266-K425 HydrophobicContact CB-CD 4.43Å; Q266-K425 PolarHBondContact N-O 2.9Å; Q266-K425 PolarHBondContact O-N 3.38Å; M388-K425 HydrophobicContact CE-CD 4.18Å |
| 426 | H | 72.4 | Confident | 69.6 | Low | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 64.6 | 147.3 | -164.1 | -49 | 112 | 0 | 0 | 0 | 113.5 | K264 I424 I428 | K264-H426 PolarHBondContact O-ND1 2.75Å; I424-H426 WeakPolarHBondContact CG2-O 3.5Å; H426-I428 PolarHBondContact O-N 2.88Å |
| 427 | P | 70.4 | Confident | 68.2 | Low | 120 Ų | 120 | 71 Ų | 71 | 78% | 0.779 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 135.7 | 174 | -24.3 | 34.9 | 0 | 0 | 0 | 111.4 | Q265 | Q265-P427 VanDerWaalsContact CG-O 3.28Å; Q265-P427 WeakPolarHBondContact CG-O 3.36Å; Q265-P427 PolarHBondContact NE2-O 2.04Å |
| 428 | I | 73.2 | Confident | 67.5 | Low | 14 Ų | 14 | 66.2 Ų | 66.2 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 141.2 | 173.4 | -160 | 160.6 | 0 | 0 | 0 | 109.9 | L259 F260 F261 Q265 I424 H426 I430 | L259-I428 HydrophobicContact CB-CD1 3.84Å; L259-I428 HydrophobicContact CB-CG1 4.28Å; L259-I428 HydrophobicContact CD1-CD1 4.18Å; L259-I428 HydrophobicContact CD2-CG2 4.04Å; L259-I428 HydrophobicContact CG-CD1 4.41Å; F260-I428 VanDerWaalsContact O-CG1 3.23Å; F260-I428 WeakPolarHBondContact O-CG1 3.42Å; F261-I428 HydrophobicContact CD1-CD1 4.2Å; F261-I428 HydrophobicContact CD2-CD1 3.92Å; F261-I428 HydrophobicContact CE1-CD1 3.82Å; F261-I428 HydrophobicContact CE2-CD1 3.5Å; F261-I428 VanDerWaalsContact CE2-CD1 3.5Å; F261-I428 HydrophobicContact CG-CD1 4.25Å; F261-I428 HydrophobicContact CZ-CD1 3.44Å; F261-I428 VanDerWaalsContact CZ-CD1 3.44Å; Q265-I428 HydrophobicContact CB-CD1 4.37Å; Q265-I428 HydrophobicContact CB-CG1 4.41Å; Q265-I428 HydrophobicContact CG-CB 4.03Å; Q265-I428 HydrophobicContact CG-CG1 4.02Å; I424-I428 HydrophobicContact CD1-CB 4.48Å; I424-I428 HydrophobicContact CD1-CG2 3.64Å; I424-I428 HydrophobicContact CG2-CB 3.96Å; I424-I428 HydrophobicContact CG2-CG2 4.28Å; H426-I428 PolarHBondContact O-N 2.88Å; I428-I430 PolarHBondContact O-N 2.9Å |
| 429 | T | 72.4 | Confident | 67 | Low | 9 Ų | 9 | 65.9 Ų | 65.9 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.8 | 176.2 | -57.7 | 0 | 0 | 0 | 0 | 107.9 | F260 E437 I438 Q443 | F260-T429 HydrophobicContact CB-CG2 4.38Å; F260-T429 PolarHBondContact N-O 2.04Å; F260-T429 PolarHBondContact O-N 3.12Å; T429-E437 HydrophobicContact CG2-CG 4.33Å; T429-I438 HydrophobicContact CG2-CB 4.48Å; T429-Q443 HydrophobicContact CG2-CG 4.49Å |
| 430 | I | 73.7 | Confident | 65.5 | Low | 22 Ų | 22 | 69.9 Ų | 69.9 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.8 | -179.9 | -53.6 | 177.3 | 0 | 0 | 0 | 106.6 | L259 I415 I428 F446 I447 F451 | L259-I430 HydrophobicContact CD2-CG1 4.36Å; I415-I430 HydrophobicContact CG2-CD1 4.08Å; I415-I430 HydrophobicContact CG2-CG1 4.42Å; I415-I430 HydrophobicContact CG2-CG2 4.13Å; I428-I430 PolarHBondContact O-N 2.9Å; I430-F446 VanDerWaalsContact C-CD1 3.43Å; I430-F446 HydrophobicContact CB-CD1 4.42Å; I430-F446 HydrophobicContact CG2-CD1 3.84Å; I430-F446 HydrophobicContact CG2-CE1 3.89Å; I430-F446 VanDerWaalsContact O-CD1 3.26Å; I430-F446 WeakPolarHBondContact O-CD1 3.43Å; I430-I447 HydrophobicContact CB-CG1 4.36Å; I430-I447 HydrophobicContact CD1-CD1 4.13Å; I430-I447 HydrophobicContact CD1-CG1 3.97Å; I430-F451 HydrophobicContact CG2-CD2 4.19Å; I430-F451 HydrophobicContact CG2-CE1 3.97Å; I430-F451 HydrophobicContact CG2-CE2 3.54Å; I430-F451 HydrophobicContact CG2-CZ 3.36Å |
| 431 | G | 71.3 | Confident | 64.3 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 94.3 | 164.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A258 F260 I438 | A258-G431 PolarHBondContact O-N 3.02Å; F260-G431 WeakPolarHBondContact CB-O 3.15Å; G431-I438 VanDerWaalsContact C-CD1 3.49Å |
| 432 | C | 68.6 | Low | 62.7 | Low | 33 Ų | 33 | 73.7 Ų | 73.7 | 22% | 0.223 | 38% | 0.379 | C | S | . | . | trans | -141.7 | 126.9 | 178.8 | -51.5 | 0 | 0 | 0 | 0 | 109.4 | C399 | C399-C432 HydrophobicContact CB-CB 3.78Å; C399-C432 WeakPolarHBondContact CB-SG 3.48Å; C399-C432 WeakPolarHBondContact SG-CB 3.31Å; C399-C432 CovalentContact SG-SG 2.03Å; C399-C432 PolarHBondContact SG-SG 3.49Å | ||
| 433 | Q | 58.2 | Low | 60.8 | Low | 77 Ų | 77 | 75 Ų | 75 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -124 | 123.9 | 174.1 | 173.2 | 156.8 | 18.8 | 0 | 0 | 109.3 | D435 K436 I438 | Q433-D435 PolarHBondContact O-N 3.47Å; Q433-K436 PolarHBondContact O-N 2.83Å; Q433-I438 HydrophobicContact CB-CD1 4.32Å; Q433-I438 HydrophobicContact CB-CG1 3.79Å |
| 434 | D | 53.2 | Low | 59 | Low | 138 Ų | 138 | 70.6 Ų | 70.6 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39 | 49.5 | 172.4 | -54.6 | -41.4 | 0 | 0 | 0 | 114.5 | K436 | D434-K436 PolarHBondContact O-N 3.45Å; D434-K436 VanDerWaalsContact O-N 3.11Å |
| 435 | D | 48.2 | Very low | 57.5 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 32% | 0.321 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 21.3 | 177.6 | -72.3 | -48.6 | 0 | 0 | 0 | 116 | T286 N288 Q433 | T286-D435 PolarHBondContact OG1-OD1 3.01Å; N288-D435 WeakPolarHBondContact ND2-CA 3.36Å; N288-D435 WeakPolarHBondContact ND2-CB 3.38Å; N288-D435 PolarHBondContact ND2-O 3.46Å; N288-D435 PolarHBondContact ND2-OD1 2.03Å; N288-D435 PolarHBondContact OD1-OD1 3.33Å; Q433-D435 PolarHBondContact O-N 3.47Å |
| 436 | K | 50.7 | Low | 56.2 | Low | 160 Ų | 160 | 69.1 Ų | 69.1 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | B | Isolated β-bridge | trans | -133.2 | 167.4 | 176.8 | -68.2 | -175.7 | -179 | 177.4 | 0 | 113.2 | Q433 D434 I438 | Q433-K436 PolarHBondContact O-N 2.83Å; D434-K436 PolarHBondContact O-N 3.45Å; D434-K436 VanDerWaalsContact O-N 3.11Å; K436-I438 PolarHBondContact O-N 3.4Å |
| 437 | E | 41.5 | Very low | 55.1 | Low | 120 Ų | 120 | 66.3 Ų | 66.3 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 129.6 | 175.9 | -173.8 | 174.4 | -148.1 | 0 | 0 | 111.1 | F260 T429 | F260-E437 HydrophobicContact CE1-CB 4.19Å; T429-E437 HydrophobicContact CG2-CG 4.33Å |
| 438 | I | 48.4 | Very low | 54.3 | Low | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -73 | 123.1 | 169.5 | -61 | -177 | 0 | 0 | 0 | 107.2 | T429 G431 Q433 K436 K442 Q443 | T429-I438 HydrophobicContact CG2-CB 4.48Å; G431-I438 VanDerWaalsContact C-CD1 3.49Å; Q433-I438 HydrophobicContact CB-CD1 4.32Å; Q433-I438 HydrophobicContact CB-CG1 3.79Å; K436-I438 PolarHBondContact O-N 3.4Å; I438-K442 HydrophobicContact CG2-CB 3.27Å; I438-K442 HydrophobicContact CG2-CD 4.45Å; I438-Q443 HydrophobicContact CG2-CB 4.23Å; I438-Q443 VanDerWaalsContact CG2-N 3.32Å |
| 439 | P | 49.6 | Very low | 53.2 | Low | 61 Ų | 61 | 66.3 Ų | 66.3 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 148.2 | 179.3 | 22.9 | -32.7 | 0 | 0 | 0 | 110.8 | S441 K442 Q443 | P439-S441 PolarHBondContact O-N 2.85Å; P439-K442 HydrophobicContact CG-CB 4.28Å; P439-K442 HydrophobicContact CG-CD 4.19Å; P439-K442 HydrophobicContact CG-CG 4.35Å; P439-K442 PolarHBondContact O-N 3.04Å; P439-Q443 PolarHBondContact O-N 3.43Å |
| 440 | P | 44.4 | Very low | 52 | Low | 102 Ų | 102 | 68.2 Ų | 68.2 | 66% | 0.662 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -52.4 | -33.9 | -170.3 | -30.7 | 35.4 | 0 | 0 | 0 | 115 | K442 Q443 K444 | P440-K442 PolarHBondContact O-N 2.81Å; P440-Q443 PolarHBondContact O-N 3.49Å; P440-K444 PolarHBondContact O-N 2.86Å; P440-K444 VanDerWaalsContact O-N 3.17Å |
| 441 | S | 48.6 | Very low | 50.9 | Low | 86 Ų | 86 | 69 Ų | 69 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.4 | -35.4 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 114 | P439 | P439-S441 PolarHBondContact O-N 2.85Å |
| 442 | K | 47.4 | Very low | 50.6 | Low | 99 Ų | 99 | 71.2 Ų | 71.2 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -86.7 | -30.7 | 175 | -79.7 | -174.2 | 169.9 | -173.5 | 0 | 112.9 | I438 P439 P440 K444 N445 F446 | I438-K442 HydrophobicContact CG2-CB 3.27Å; I438-K442 HydrophobicContact CG2-CD 4.45Å; P439-K442 HydrophobicContact CG-CB 4.28Å; P439-K442 HydrophobicContact CG-CD 4.19Å; P439-K442 HydrophobicContact CG-CG 4.35Å; P439-K442 PolarHBondContact O-N 3.04Å; P440-K442 PolarHBondContact O-N 2.81Å; K442-K444 PolarHBondContact O-N 3.34Å; K442-N445 PolarHBondContact O-N 2.83Å; K442-N445 VanDerWaalsContact O-N 3.17Å; K442-F446 PolarHBondContact O-N 3.14Å |
| 443 | Q | 45.7 | Very low | 50.8 | Low | 40 Ų | 40 | 70.5 Ų | 70.5 | 19% | 0.187 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 175 | -173.8 | -177.5 | -8.2 | 0 | 0 | 110.4 | T429 I438 P439 P440 F446 I447 | T429-Q443 HydrophobicContact CG2-CG 4.49Å; I438-Q443 HydrophobicContact CG2-CB 4.23Å; I438-Q443 VanDerWaalsContact CG2-N 3.32Å; P439-Q443 PolarHBondContact O-N 3.43Å; P440-Q443 PolarHBondContact O-N 3.49Å; Q443-F446 PolarHBondContact O-N 3.02Å; Q443-I447 WeakPolarHBondContact O-CG1 3.44Å; Q443-I447 PolarHBondContact O-N 2.91Å |
| 444 | K | 47.4 | Very low | 51.6 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 27% | 0.27 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.7 | -52.3 | 171.4 | -162.2 | 179.5 | -165.5 | 171.6 | 0 | 112.7 | P440 K442 F446 I447 C448 E461 L467 | P440-K444 PolarHBondContact O-N 2.86Å; P440-K444 VanDerWaalsContact O-N 3.17Å; K442-K444 PolarHBondContact O-N 3.34Å; K444-F446 VanDerWaalsContact C-N 3.29Å; K444-F446 PolarHBondContact O-N 3.2Å; K444-I447 PolarHBondContact O-N 3.35Å; K444-C448 WeakPolarHBondContact O-CB 3.33Å; K444-C448 PolarHBondContact O-N 3.22Å; K444-C448 VanDerWaalsContact O-N 3.09Å; K444-E461 IonicContact NZ-OE1 3.22Å; K444-E461 PolarHBondContact NZ-OE1 2.73Å; K444-E461 IonicContact NZ-OE2 2.7Å; K444-E461 PolarHBondContact NZ-OE2 2.77Å; K444-L467 HydrophobicContact CG-CD2 3.85Å |
| 445 | N | 48.1 | Very low | 52.3 | Low | 98 Ų | 98 | 67 Ų | 67 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 175.4 | -69.8 | 22.7 | 0 | 0 | 0 | 111.6 | K442 C448 D449 | K442-N445 PolarHBondContact O-N 2.83Å; K442-N445 VanDerWaalsContact O-N 3.17Å; N445-C448 WeakPolarHBondContact O-CA 3.22Å; N445-C448 VanDerWaalsContact O-CB 3.23Å; N445-C448 WeakPolarHBondContact O-CB 3.27Å; N445-C448 PolarHBondContact O-N 2.86Å; N445-D449 PolarHBondContact O-N 3.41Å |
| 446 | F | 46 | Very low | 53.2 | Low | 39 Ų | 39 | 68.1 Ų | 68.1 | 17% | 0.171 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 179.1 | -168.3 | -112.3 | 0 | 0 | 0 | 112.7 | I430 K442 Q443 K444 C448 H450 F451 | I430-F446 VanDerWaalsContact C-CD1 3.43Å; I430-F446 HydrophobicContact CB-CD1 4.42Å; I430-F446 HydrophobicContact CG2-CD1 3.84Å; I430-F446 HydrophobicContact CG2-CE1 3.89Å; I430-F446 VanDerWaalsContact O-CD1 3.26Å; I430-F446 WeakPolarHBondContact O-CD1 3.43Å; K442-F446 PolarHBondContact O-N 3.14Å; Q443-F446 PolarHBondContact O-N 3.02Å; K444-F446 VanDerWaalsContact C-N 3.29Å; K444-F446 PolarHBondContact O-N 3.2Å; F446-C448 VanDerWaalsContact C-N 3.26Å; F446-C448 PolarHBondContact O-N 2.83Å; F446-H450 AromaticContact CE2-CE1 3.97Å; F446-H450 AromaticContact CE2-NE2 3.88Å; F446-H450 PolarHBondContact O-N 3.37Å; F446-F451 HydrophobicContact CD1-CD2 4.5Å; F446-F451 AromaticContact CD1-CE2 3.44Å; F446-F451 HydrophobicContact CD1-CE2 3.44Å; F446-F451 VanDerWaalsContact CD1-CE2 3.44Å; F446-F451 HydrophobicContact CD1-CZ 4Å; F446-F451 AromaticContact CE1-CE2 3.26Å; F446-F451 HydrophobicContact CE1-CE2 3.26Å; F446-F451 AromaticContact CE1-CZ 3.37Å; F446-F451 HydrophobicContact CE1-CZ 3.37Å; F446-F451 HydrophobicContact CE2-CE2 4.48Å; F446-F451 HydrophobicContact CG-CE2 4.15Å; F446-F451 AromaticContact CZ-CE2 3.84Å; F446-F451 HydrophobicContact CZ-CE2 3.84Å; F446-F451 AromaticContact CZ-CZ 3.91Å; F446-F451 HydrophobicContact CZ-CZ 3.91Å; F446-F451 WeakPolarHBondContact O-CD2 3.38Å; F446-F451 VanDerWaalsContact O-CE2 3.32Å; F446-F451 WeakPolarHBondContact O-CE2 3.22Å |
| 447 | I | 51.2 | Low | 54.3 | Low | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.205 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 171.9 | -66.7 | 167.4 | 0 | 0 | 0 | 110.7 | I430 Q443 K444 F451 Y452 L467 | I430-I447 HydrophobicContact CB-CG1 4.36Å; I430-I447 HydrophobicContact CD1-CD1 4.13Å; I430-I447 HydrophobicContact CD1-CG1 3.97Å; Q443-I447 WeakPolarHBondContact O-CG1 3.44Å; Q443-I447 PolarHBondContact O-N 2.91Å; K444-I447 PolarHBondContact O-N 3.35Å; I447-F451 WeakPolarHBondContact O-CB 3.31Å; I447-F451 PolarHBondContact O-N 3.29Å; I447-F451 VanDerWaalsContact O-N 3.15Å; I447-Y452 PolarHBondContact O-N 2.75Å; I447-Y452 VanDerWaalsContact O-N 3.08Å; I447-L467 HydrophobicContact CB-CD1 4.08Å; I447-L467 HydrophobicContact CG2-CD1 3.44Å; I447-L467 VanDerWaalsContact CG2-CD1 3.44Å |
| 448 | C | 52.8 | Low | 55.8 | Low | 13 Ų | 13 | 59.8 Ų | 59.8 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -61.5 | -54.5 | 178.5 | -89.7 | 0 | 0 | 0 | 0 | 113.5 | K444 N445 F446 H450 C459 | K444-C448 WeakPolarHBondContact O-CB 3.33Å; K444-C448 PolarHBondContact O-N 3.22Å; K444-C448 VanDerWaalsContact O-N 3.09Å; N445-C448 WeakPolarHBondContact O-CA 3.22Å; N445-C448 VanDerWaalsContact O-CB 3.23Å; N445-C448 WeakPolarHBondContact O-CB 3.27Å; N445-C448 PolarHBondContact O-N 2.86Å; F446-C448 VanDerWaalsContact C-N 3.26Å; F446-C448 PolarHBondContact O-N 2.83Å; C448-H450 VanDerWaalsContact C-N 3.34Å; C448-H450 PolarHBondContact O-N 2.95Å; C448-C459 WeakPolarHBondContact CA-SG 3.4Å; C448-C459 HydrophobicContact CB-CB 3.23Å; C448-C459 WeakPolarHBondContact CB-SG 3.33Å; C448-C459 WeakPolarHBondContact SG-CB 3.48Å; C448-C459 CovalentContact SG-SG 2.04Å; C448-C459 PolarHBondContact SG-SG 2.84Å |
| 449 | D | 49.9 | Very low | 56.8 | Low | 122 Ų | 122 | 60.4 Ų | 60.4 | 65% | 0.652 | 34% | 0.339 | S | S | * | . | I | π-helix | trans | -68.9 | -27 | -170.7 | -67.8 | -21.7 | 0 | 0 | 0 | 113.9 | N445 | N445-D449 PolarHBondContact O-N 3.41Å |
| 450 | H | 46.7 | Very low | 58 | Low | 48 Ų | 48 | 61.4 Ų | 61.4 | 22% | 0.222 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -124.4 | -18.4 | -167.6 | -69.2 | 54.9 | 0 | 0 | 0 | 115.2 | K257 F446 C448 | K257-H450 WeakPolarHBondContact CE-O 3.17Å; K257-H450 PolarHBondContact NZ-O 3.08Å; F446-H450 AromaticContact CE2-CE1 3.97Å; F446-H450 AromaticContact CE2-NE2 3.88Å; F446-H450 PolarHBondContact O-N 3.37Å; C448-H450 VanDerWaalsContact C-N 3.34Å; C448-H450 PolarHBondContact O-N 2.95Å |
| 451 | F | 50.5 | Low | 59 | Low | 38 Ų | 38 | 62.3 Ų | 62.3 | 17% | 0.167 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -128.5 | -41.3 | -160.8 | -53.9 | -84.6 | 0 | 0 | 0 | 115.5 | K257 I415 I430 F446 I447 | K257-F451 HydrophobicContact CB-CE1 3.59Å; K257-F451 HydrophobicContact CB-CZ 4.02Å; K257-F451 HydrophobicContact CD-CD1 3.57Å; K257-F451 HydrophobicContact CD-CE1 3.41Å; K257-F451 VanDerWaalsContact CD-CE1 3.41Å; K257-F451 HydrophobicContact CD-CZ 4.39Å; K257-F451 VanDerWaalsContact CE-CD1 3.48Å; K257-F451 HydrophobicContact CG-CD1 3.94Å; K257-F451 HydrophobicContact CG-CE1 3.29Å; K257-F451 HydrophobicContact CG-CZ 3.83Å; I415-F451 HydrophobicContact CB-CD1 4.34Å; I415-F451 HydrophobicContact CD1-CB 4.39Å; I415-F451 HydrophobicContact CD1-CD1 3.21Å; I415-F451 HydrophobicContact CD1-CE1 3.77Å; I415-F451 HydrophobicContact CD1-CG 4.22Å; I415-F451 HydrophobicContact CG1-CD1 4.31Å; I415-F451 HydrophobicContact CG2-CD1 4.09Å; I415-F451 HydrophobicContact CG2-CE1 3.85Å; I430-F451 HydrophobicContact CG2-CD2 4.19Å; I430-F451 HydrophobicContact CG2-CE1 3.97Å; I430-F451 HydrophobicContact CG2-CE2 3.54Å; I430-F451 HydrophobicContact CG2-CZ 3.36Å; F446-F451 HydrophobicContact CD1-CD2 4.5Å; F446-F451 AromaticContact CD1-CE2 3.44Å; F446-F451 HydrophobicContact CD1-CE2 3.44Å; F446-F451 VanDerWaalsContact CD1-CE2 3.44Å; F446-F451 HydrophobicContact CD1-CZ 4Å; F446-F451 AromaticContact CE1-CE2 3.26Å; F446-F451 HydrophobicContact CE1-CE2 3.26Å; F446-F451 AromaticContact CE1-CZ 3.37Å; F446-F451 HydrophobicContact CE1-CZ 3.37Å; F446-F451 HydrophobicContact CE2-CE2 4.48Å; F446-F451 HydrophobicContact CG-CE2 4.15Å; F446-F451 AromaticContact CZ-CE2 3.84Å; F446-F451 HydrophobicContact CZ-CE2 3.84Å; F446-F451 AromaticContact CZ-CZ 3.91Å; F446-F451 HydrophobicContact CZ-CZ 3.91Å; F446-F451 WeakPolarHBondContact O-CD2 3.38Å; F446-F451 VanDerWaalsContact O-CE2 3.32Å; F446-F451 WeakPolarHBondContact O-CE2 3.22Å; I447-F451 WeakPolarHBondContact O-CB 3.31Å; I447-F451 PolarHBondContact O-N 3.29Å; I447-F451 VanDerWaalsContact O-N 3.15Å |
| 452 | Y | 65.9 | Low | 59.8 | Low | 47 Ų | 47 | 59.2 Ų | 59.2 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -91.5 | -28.3 | -167.4 | -166.7 | -107.8 | 0 | 0 | 0 | 113.3 | I447 L467 C469 H480 | I447-Y452 PolarHBondContact O-N 2.75Å; I447-Y452 VanDerWaalsContact O-N 3.08Å; Y452-L467 HydrophobicContact CD1-CB 3.87Å; Y452-L467 VanDerWaalsContact CE1-C 3.48Å; Y452-L467 HydrophobicContact CE1-CB 3.69Å; Y452-L467 WeakPolarHBondContact CE1-O 3.47Å; Y452-L467 HydrophobicContact CG-CB 4.42Å; Y452-L467 PolarHBondContact OH-O 3.34Å; Y452-C469 WeakPolarHBondContact CD1-SG 3.26Å; Y452-C469 PolarHBondContact O-SG 3.43Å; Y452-H480 AromaticContact CD2-CE1 3.72Å; Y452-H480 AromaticContact CD2-ND1 3.91Å; Y452-H480 AromaticContact CE2-CE1 3.45Å; Y452-H480 VanDerWaalsContact CE2-CE1 3.45Å; Y452-H480 WeakPolarHBondContact CE2-CE1 3.27Å; Y452-H480 AromaticContact CE2-ND1 3.96Å; Y452-H480 AromaticContact CZ-CE1 3.93Å; Y452-H480 WeakPolarHBondContact O-CB 3.43Å; Y452-H480 PolarHBondContact O-ND1 2.87Å |
| 453 | C | 72.9 | Confident | 60.6 | Low | 19 Ų | 19 | 62.7 Ų | 62.7 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | trans | -118.8 | 132.2 | -175.5 | -55.5 | 0 | 0 | 0 | 0 | 111 | T457 C459 C469 | C453-T457 WeakPolarHBondContact CB-O 3.39Å; C453-T457 WeakPolarHBondContact CB-OG1 3.48Å; C453-C459 VanDerWaalsContact SG-CB 3.51Å; C453-C469 WeakPolarHBondContact CA-SG 3.17Å; C453-C469 HydrophobicContact CB-CB 3.83Å; C453-C469 WeakPolarHBondContact CB-SG 3.12Å; C453-C469 WeakPolarHBondContact SG-CA 3.49Å; C453-C469 WeakPolarHBondContact SG-CB 3.23Å; C453-C469 CovalentContact SG-SG 2.03Å; C453-C469 PolarHBondContact SG-SG 2.71Å | ||
| 454 | R | 73.9 | Confident | 61.2 | Low | 98 Ų | 98 | 67.5 Ų | 67.5 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -91.6 | 169.3 | 178 | -63.7 | -166.8 | 178.7 | -128.7 | 0.5 | 111.2 | G456 T457 H480 Q482 D793 | R454-G456 VanDerWaalsContact C-N 3.26Å; R454-G456 PolarHBondContact O-N 3.49Å; R454-T457 PolarHBondContact O-N 2.9Å; R454-T457 PolarHBondContact O-OG1 3.48Å; R454-H480 WeakPolarHBondContact CB-O 3.09Å; R454-H480 PolarHBondContact N-O 3.34Å; R454-Q482 HydrophobicContact CG-CB 4.43Å; R454-D793 IonicContact CZ-OD1 3.43Å; R454-D793 IonicContact CZ-OD2 2.68Å; R454-D793 IonicContact NE-OD2 3.79Å; R454-D793 PolarHBondContact NE-OD2 3.46Å; R454-D793 IonicContact NH2-OD1 3.76Å; R454-D793 PolarHBondContact NH2-OD1 2.82Å; R454-D793 IonicContact NH2-OD2 3.99Å; R454-D793 PolarHBondContact NH2-OD2 2.81Å |
| 455 | H | 69.4 | Low | 61.7 | Low | 43 Ų | 43 | 66.3 Ų | 66.3 | 20% | 0.199 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40.4 | 173.1 | -45.4 | 114.7 | 0 | 0 | 0 | 113.2 | T457 Y476 C481 G512 | H455-T457 PolarHBondContact O-N 2.74Å; H455-T457 VanDerWaalsContact O-N 3.14Å; H455-Y476 HydrophobicContact CB-CD2 3.58Å; H455-Y476 HydrophobicContact CB-CE1 4.5Å; H455-Y476 HydrophobicContact CB-CE2 3.55Å; H455-Y476 HydrophobicContact CB-CG 4.1Å; H455-Y476 AromaticContact CD2-CZ 3.96Å; H455-Y476 AromaticContact CE1-CD1 3.64Å; H455-Y476 AromaticContact CE1-CE1 3.7Å; H455-Y476 AromaticContact CG-CD1 3.87Å; H455-Y476 AromaticContact CG-CD2 3.84Å; H455-Y476 AromaticContact CG-CE1 3.78Å; H455-Y476 AromaticContact CG-CE2 3.73Å; H455-Y476 AromaticContact CG-CG 3.93Å; H455-Y476 AromaticContact CG-CZ 3.72Å; H455-Y476 AromaticContact ND1-CD1 3.3Å; H455-Y476 VanDerWaalsContact ND1-CD1 3.3Å; H455-Y476 WeakPolarHBondContact ND1-CD1 3.24Å; H455-Y476 AromaticContact ND1-CD2 3.92Å; H455-Y476 AromaticContact ND1-CE1 3.59Å; H455-Y476 AromaticContact ND1-CG 3.51Å; H455-C481 PolarHBondContact CE1-O 3.45Å; H455-C481 PolarHBondContact ND1-O 3.04Å; H455-G512 PolarHBondContact NE2-O 2.7Å; H455-G512 VanDerWaalsContact NE2-O 3.14Å |
| 456 | G | 67.1 | Low | 62.3 | Low | 83 Ų | 83 | 67.2 Ų | 67.2 | 86% | 0.856 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 17.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R454 | R454-G456 VanDerWaalsContact C-N 3.26Å; R454-G456 PolarHBondContact O-N 3.49Å |
| 457 | T | 73.9 | Confident | 63.3 | Low | 15 Ų | 15 | 66.9 Ų | 66.9 | 9% | 0.092 | 38% | 0.376 | C | S | . | . | trans | -78.8 | 145.1 | -173.1 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | C453 R454 H455 S474 C481 | C453-T457 WeakPolarHBondContact CB-O 3.39Å; C453-T457 WeakPolarHBondContact CB-OG1 3.48Å; R454-T457 PolarHBondContact O-N 2.9Å; R454-T457 PolarHBondContact O-OG1 3.48Å; H455-T457 PolarHBondContact O-N 2.74Å; H455-T457 VanDerWaalsContact O-N 3.14Å; T457-S474 WeakPolarHBondContact CG2-OG 3.34Å; T457-C481 HydrophobicContact CG2-CB 3.85Å; T457-C481 WeakPolarHBondContact OG1-CB 3.15Å; T457-C481 PolarHBondContact OG1-SG 2.9Å | ||
| 458 | T | 71.3 | Confident | 64.6 | Low | 91 Ų | 91 | 73.1 Ų | 73.1 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140.8 | -178.3 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | E460 N470 | T458-E460 HydrophobicContact CG2-CG 4.36Å; T458-N470 PolarHBondContact O-N 2.7Å |
| 459 | C | 69.1 | Low | 65.8 | Low | 24 Ų | 24 | 73 Ų | 73 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.8 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | C448 C453 | C448-C459 WeakPolarHBondContact CA-SG 3.4Å; C448-C459 HydrophobicContact CB-CB 3.23Å; C448-C459 WeakPolarHBondContact CB-SG 3.33Å; C448-C459 WeakPolarHBondContact SG-CB 3.48Å; C448-C459 CovalentContact SG-SG 2.04Å; C448-C459 PolarHBondContact SG-SG 2.84Å; C453-C459 VanDerWaalsContact SG-CB 3.51Å |
| 460 | E | 76 | Confident | 67.5 | Low | 83 Ų | 83 | 69.5 Ų | 69.5 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 161.7 | -171.1 | -66.1 | 172.6 | -175.3 | 0 | 0 | 110.6 | T458 R468 N470 | T458-E460 HydrophobicContact CG2-CG 4.36Å; E460-R468 PolarHBondContact N-O 2.81Å; E460-R468 PolarHBondContact O-N 3.1Å; E460-N470 HydrophobicContact CG-CB 4.36Å; E460-N470 WeakPolarHBondContact OE1-CB 3.15Å; E460-N470 PolarHBondContact OE1-ND2 3.46Å |
| 461 | E | 65.7 | Low | 69.4 | Low | 120 Ų | 120 | 68.4 Ų | 68.4 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.4 | 172.4 | 174.5 | 157.8 | -144.5 | 0 | 0 | 110 | K444 G465 | K444-E461 IonicContact NZ-OE1 3.22Å; K444-E461 PolarHBondContact NZ-OE1 2.73Å; K444-E461 IonicContact NZ-OE2 2.7Å; K444-E461 PolarHBondContact NZ-OE2 2.77Å; E461-G465 WeakPolarHBondContact OE1-CA 3.32Å |
| 462 | G | 64.2 | Low | 70.9 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 22% | 0.216 | 40% | 0.4 | C | S | . | . | trans | -79.7 | 164.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N464 G465 L466 | G462-N464 PolarHBondContact O-N 3.44Å; G462-G465 PolarHBondContact O-N 2.8Å; G462-L466 PolarHBondContact N-O 2.78Å | ||
| 463 | D | 65.7 | Low | 71.4 | Confident | 173 Ų | 173 | 73.4 Ų | 73.4 | 93% | 0.925 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -25.1 | -173.1 | -50.5 | -48.7 | 0 | 0 | 0 | 115.2 | ||
| 464 | N | 57.4 | Low | 71.6 | Confident | 140 Ų | 140 | 74 Ų | 74 | 75% | 0.749 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 5.9 | -177.7 | -57.5 | 7.4 | 0 | 0 | 0 | 113.5 | G462 L466 | G462-N464 PolarHBondContact O-N 3.44Å; N464-L466 HydrophobicContact CB-CD1 4.13Å; N464-L466 PolarHBondContact O-N 2.58Å |
| 465 | G | 57.2 | Low | 72.1 | Confident | 37 Ų | 37 | 70 Ų | 70 | 38% | 0.381 | 43% | 0.428 | S | S | . | . | S | Bend | trans | 75.3 | 3.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | E461 G462 | E461-G465 WeakPolarHBondContact OE1-CA 3.32Å; G462-G465 PolarHBondContact O-N 2.8Å |
| 466 | L | 60.9 | Low | 73 | Confident | 118 Ų | 118 | 68.4 Ų | 68.4 | 62% | 0.618 | 42% | 0.42 | S | S | * | . | trans | -82.2 | 139.8 | 177.2 | -79.2 | 158.7 | 0 | 0 | 0 | 110.8 | G462 N464 | G462-L466 PolarHBondContact N-O 2.78Å; N464-L466 HydrophobicContact CB-CD1 4.13Å; N464-L466 PolarHBondContact O-N 2.58Å | ||
| 467 | L | 68.5 | Low | 74.1 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.4 | 175.8 | -60.8 | -178.5 | 0 | 0 | 0 | 111.4 | K444 I447 Y452 | K444-L467 HydrophobicContact CG-CD2 3.85Å; I447-L467 HydrophobicContact CB-CD1 4.08Å; I447-L467 HydrophobicContact CG2-CD1 3.44Å; I447-L467 VanDerWaalsContact CG2-CD1 3.44Å; Y452-L467 HydrophobicContact CD1-CB 3.87Å; Y452-L467 VanDerWaalsContact CE1-C 3.48Å; Y452-L467 HydrophobicContact CE1-CB 3.69Å; Y452-L467 WeakPolarHBondContact CE1-O 3.47Å; Y452-L467 HydrophobicContact CG-CB 4.42Å; Y452-L467 PolarHBondContact OH-O 3.34Å |
| 468 | R | 77.2 | Confident | 74.8 | Confident | 171 Ų | 171 | 65.3 Ų | 65.3 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 135.4 | 178.6 | -179.7 | -178.8 | 178.6 | -173.4 | -0.8 | 109.6 | E460 | E460-R468 PolarHBondContact N-O 2.81Å; E460-R468 PolarHBondContact O-N 3.1Å |
| 469 | C | 79.3 | Confident | 75.4 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 136.4 | 170.2 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | Y452 C453 R479 C481 | Y452-C469 WeakPolarHBondContact CD1-SG 3.26Å; Y452-C469 PolarHBondContact O-SG 3.43Å; C453-C469 WeakPolarHBondContact CA-SG 3.17Å; C453-C469 HydrophobicContact CB-CB 3.83Å; C453-C469 WeakPolarHBondContact CB-SG 3.12Å; C453-C469 WeakPolarHBondContact SG-CA 3.49Å; C453-C469 WeakPolarHBondContact SG-CB 3.23Å; C453-C469 CovalentContact SG-SG 2.03Å; C453-C469 PolarHBondContact SG-SG 2.71Å; C469-R479 PolarHBondContact SG-O 2.68Å; C469-R479 VanDerWaalsContact SG-O 3.41Å; C469-C481 WeakPolarHBondContact CB-SG 3.43Å |
| 470 | N | 85.1 | Confident | 75.9 | Confident | 49 Ų | 49 | 66 Ų | 66 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 98.7 | 171.5 | -174.8 | -0.9 | 0 | 0 | 0 | 109.4 | T458 E460 S472 | T458-N470 PolarHBondContact O-N 2.7Å; E460-N470 HydrophobicContact CG-CB 4.36Å; E460-N470 WeakPolarHBondContact OE1-CB 3.15Å; E460-N470 PolarHBondContact OE1-ND2 3.46Å; N470-S472 VanDerWaalsContact C-N 3.25Å; N470-S472 PolarHBondContact O-N 3.23Å; N470-S472 WeakPolarHBondContact OD1-CB 3.31Å; N470-S472 PolarHBondContact OD1-N 3.46Å; N470-S472 PolarHBondContact OD1-OG 3.15Å |
| 471 | C | 85.4 | Confident | 76.4 | Confident | 25 Ų | 25 | 62 Ų | 62 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | trans | -85.4 | 6.7 | 178.3 | -35.9 | 0 | 0 | 0 | 0 | 113.3 | G473 S474 Y476 G478 C481 | C471-G473 PolarHBondContact O-N 3.48Å; C471-S474 PolarHBondContact O-N 3.46Å; C471-S474 PolarHBondContact O-OG 3.48Å; C471-S474 VanDerWaalsContact O-OG 3.08Å; C471-Y476 WeakPolarHBondContact CB-O 3.45Å; C471-G478 PolarHBondContact SG-O 3.04Å; C471-C481 WeakPolarHBondContact CA-SG 3.47Å; C471-C481 HydrophobicContact CB-CB 3.81Å; C471-C481 WeakPolarHBondContact CB-SG 3.43Å; C471-C481 PolarHBondContact N-SG 2.99Å; C471-C481 WeakPolarHBondContact SG-CA 3.41Å; C471-C481 WeakPolarHBondContact SG-CB 3.49Å; C471-C481 CovalentContact SG-SG 2.03Å; C471-C481 PolarHBondContact SG-SG 3.45Å | ||
| 472 | S | 82.8 | Confident | 77.3 | Confident | 101 Ų | 101 | 56.4 Ų | 56.4 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 121.3 | -172.9 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | N470 S474 | N470-S472 VanDerWaalsContact C-N 3.25Å; N470-S472 PolarHBondContact O-N 3.23Å; N470-S472 WeakPolarHBondContact OD1-CB 3.31Å; N470-S472 PolarHBondContact OD1-N 3.46Å; N470-S472 PolarHBondContact OD1-OG 3.15Å; S472-S474 VanDerWaalsContact C-N 3.31Å; S472-S474 PolarHBondContact O-N 3.03Å |
| 473 | G | 75.5 | Confident | 78.5 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 92% | 0.918 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -4.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | C471 | C471-G473 PolarHBondContact O-N 3.48Š|
| 474 | S | 78.2 | Confident | 79.6 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -15.1 | 180 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | T457 C471 S472 Y476 | T457-S474 WeakPolarHBondContact CG2-OG 3.34Å; C471-S474 PolarHBondContact O-N 3.46Å; C471-S474 PolarHBondContact O-OG 3.48Å; C471-S474 VanDerWaalsContact O-OG 3.08Å; S472-S474 VanDerWaalsContact C-N 3.31Å; S472-S474 PolarHBondContact O-N 3.03Å; S474-Y476 VanDerWaalsContact O-CD2 3.27Å; S474-Y476 WeakPolarHBondContact O-CD2 3.41Å; S474-Y476 WeakPolarHBondContact O-CE2 3.29Å; S474-Y476 PolarHBondContact OG-N 3.28Å |
| 475 | G | 83.7 | Confident | 81.1 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 10.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T485 | G475-T485 VanDerWaalsContact C-OG1 3.26Å; G475-T485 PolarHBondContact O-N 3.03Å; G475-T485 PolarHBondContact O-OG1 3.14Å |
| 476 | Y | 88.8 | Confident | 82.5 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 166.7 | 179.1 | -60 | -84.7 | 0 | 0 | 0 | 113.2 | H455 C471 S474 C481 F483 A484 D507 L514 P516 | H455-Y476 HydrophobicContact CB-CD2 3.58Å; H455-Y476 HydrophobicContact CB-CE1 4.5Å; H455-Y476 HydrophobicContact CB-CE2 3.55Å; H455-Y476 HydrophobicContact CB-CG 4.1Å; H455-Y476 AromaticContact CD2-CZ 3.96Å; H455-Y476 AromaticContact CE1-CD1 3.64Å; H455-Y476 AromaticContact CE1-CE1 3.7Å; H455-Y476 AromaticContact CG-CD1 3.87Å; H455-Y476 AromaticContact CG-CD2 3.84Å; H455-Y476 AromaticContact CG-CE1 3.78Å; H455-Y476 AromaticContact CG-CE2 3.73Å; H455-Y476 AromaticContact CG-CG 3.93Å; H455-Y476 AromaticContact CG-CZ 3.72Å; H455-Y476 AromaticContact ND1-CD1 3.3Å; H455-Y476 VanDerWaalsContact ND1-CD1 3.3Å; H455-Y476 WeakPolarHBondContact ND1-CD1 3.24Å; H455-Y476 AromaticContact ND1-CD2 3.92Å; H455-Y476 AromaticContact ND1-CE1 3.59Å; H455-Y476 AromaticContact ND1-CG 3.51Å; C471-Y476 WeakPolarHBondContact CB-O 3.45Å; S474-Y476 VanDerWaalsContact O-CD2 3.27Å; S474-Y476 WeakPolarHBondContact O-CD2 3.41Å; S474-Y476 WeakPolarHBondContact O-CE2 3.29Å; S474-Y476 PolarHBondContact OG-N 3.28Å; Y476-C481 VanDerWaalsContact CB-O 3.26Å; Y476-C481 WeakPolarHBondContact CB-O 3.48Å; Y476-F483 CarbonylContact C-O 3.59Å; Y476-F483 VanDerWaalsContact CA-O 3.23Å; Y476-F483 WeakPolarHBondContact CA-O 3.26Å; Y476-A484 HydrophobicContact CD1-CB 4.08Å; Y476-A484 HydrophobicContact CE1-CB 3.86Å; Y476-D507 WeakPolarHBondContact CE1-OD2 3.33Å; Y476-D507 VanDerWaalsContact CZ-OD2 3.25Å; Y476-D507 PolarHBondContact OH-OD2 2.03Å; Y476-L514 PolarHBondContact OH-O 3.36Å; Y476-P516 HydrophobicContact CE2-CG 4.06Å; Y476-P516 WeakPolarHBondContact OH-CD 3.29Å |
| 477 | A | 90.3 | Very high | 83.8 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C481 Q482 F483 T485 F806 | A477-C481 CarbonylContact O-C 3.51Å; A477-C481 VanDerWaalsContact O-C 3.29Å; A477-C481 WeakPolarHBondContact O-CA 3.41Å; A477-Q482 PolarHBondContact O-N 3.48Å; A477-F483 PolarHBondContact N-O 2.05Å; A477-F483 PolarHBondContact O-N 3.02Å; A477-T485 HydrophobicContact CB-CG2 3.54Å; A477-F806 HydrophobicContact CB-CE1 4.27Å; A477-F806 HydrophobicContact CB-CZ 3.69Å |
| 478 | G | 87.6 | Confident | 84.5 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 96.5 | 168.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C471 H480 C481 E795 | C471-G478 PolarHBondContact SG-O 3.04Å; G478-H480 PolarHBondContact O-N 3.23Å; G478-C481 PolarHBondContact O-N 2.66Å; G478-C481 VanDerWaalsContact O-N 3.08Å; G478-E795 WeakPolarHBondContact CA-OE2 3.46Å |
| 479 | R | 84 | Confident | 84.7 | Confident | 109 Ų | 109 | 34.3 Ų | 34.3 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.8 | -177.6 | 174.8 | 176.5 | -68.4 | -92.1 | -2.9 | 113.3 | C469 E795 | C469-R479 PolarHBondContact SG-O 2.68Å; C469-R479 VanDerWaalsContact SG-O 3.41Å; R479-E795 PolarHBondContact N-OE2 3.09Å |
| 480 | H | 79.9 | Confident | 85 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 14.7 | -177.2 | -58.1 | -69.5 | 0 | 0 | 0 | 111.6 | Y452 R454 G478 Q482 | Y452-H480 AromaticContact CD2-CE1 3.72Å; Y452-H480 AromaticContact CD2-ND1 3.91Å; Y452-H480 AromaticContact CE2-CE1 3.45Å; Y452-H480 VanDerWaalsContact CE2-CE1 3.45Å; Y452-H480 WeakPolarHBondContact CE2-CE1 3.27Å; Y452-H480 AromaticContact CE2-ND1 3.96Å; Y452-H480 AromaticContact CZ-CE1 3.93Å; Y452-H480 WeakPolarHBondContact O-CB 3.43Å; Y452-H480 PolarHBondContact O-ND1 2.87Å; R454-H480 WeakPolarHBondContact CB-O 3.09Å; R454-H480 PolarHBondContact N-O 3.34Å; G478-H480 PolarHBondContact O-N 3.23Å; H480-Q482 HydrophobicContact CB-CB 4.47Å; H480-Q482 PolarHBondContact O-N 2.85Å |
| 481 | C | 86 | Confident | 84.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 51 | 39.1 | -171.1 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | H455 T457 C469 C471 Y476 A477 G478 | H455-C481 PolarHBondContact CE1-O 3.45Å; H455-C481 PolarHBondContact ND1-O 3.04Å; T457-C481 HydrophobicContact CG2-CB 3.85Å; T457-C481 WeakPolarHBondContact OG1-CB 3.15Å; T457-C481 PolarHBondContact OG1-SG 2.9Å; C469-C481 WeakPolarHBondContact CB-SG 3.43Å; C471-C481 WeakPolarHBondContact CA-SG 3.47Å; C471-C481 HydrophobicContact CB-CB 3.81Å; C471-C481 WeakPolarHBondContact CB-SG 3.43Å; C471-C481 PolarHBondContact N-SG 2.99Å; C471-C481 WeakPolarHBondContact SG-CA 3.41Å; C471-C481 WeakPolarHBondContact SG-CB 3.49Å; C471-C481 CovalentContact SG-SG 2.03Å; C471-C481 PolarHBondContact SG-SG 3.45Å; Y476-C481 VanDerWaalsContact CB-O 3.26Å; Y476-C481 WeakPolarHBondContact CB-O 3.48Å; A477-C481 CarbonylContact O-C 3.51Å; A477-C481 VanDerWaalsContact O-C 3.29Å; A477-C481 WeakPolarHBondContact O-CA 3.41Å; G478-C481 PolarHBondContact O-N 2.66Å; G478-C481 VanDerWaalsContact O-N 3.08Å |
| 482 | Q | 84.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -90.8 | -9.5 | -170.2 | 73.9 | -82.1 | 30.6 | 0 | 0 | 115.2 | R454 A477 H480 S511 I792 E795 | R454-Q482 HydrophobicContact CG-CB 4.43Å; A477-Q482 PolarHBondContact O-N 3.48Å; H480-Q482 HydrophobicContact CB-CB 4.47Å; H480-Q482 PolarHBondContact O-N 2.85Å; Q482-S511 WeakPolarHBondContact O-CB 3.36Å; Q482-I792 HydrophobicContact CB-CG2 4.13Å; Q482-I792 HydrophobicContact CG-CB 3.97Å; Q482-I792 HydrophobicContact CG-CG2 3.78Å; Q482-E795 PolarHBondContact NE2-OE2 3.42Å | ||
| 483 | F | 90.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.8 | -177.1 | -60.4 | -78.7 | 0 | 0 | 0 | 112.4 | Y476 A477 T485 E790 I792 E795 R797 F806 | Y476-F483 CarbonylContact C-O 3.59Å; Y476-F483 VanDerWaalsContact CA-O 3.23Å; Y476-F483 WeakPolarHBondContact CA-O 3.26Å; A477-F483 PolarHBondContact N-O 2.05Å; A477-F483 PolarHBondContact O-N 3.02Å; F483-T485 PolarHBondContact O-N 2.94Å; F483-E790 HydrophobicContact CD1-CB 4.09Å; F483-E790 HydrophobicContact CE1-CB 3.92Å; F483-E790 WeakPolarHBondContact CE1-O 3.13Å; F483-I792 HydrophobicContact CD1-CD1 3.81Å; F483-I792 HydrophobicContact CD1-CG1 4.26Å; F483-I792 HydrophobicContact CE1-CB 3.86Å; F483-I792 HydrophobicContact CE1-CD1 3.81Å; F483-I792 HydrophobicContact CE1-CG1 3.72Å; F483-I792 HydrophobicContact CZ-CB 4.04Å; F483-I792 HydrophobicContact CZ-CG1 4.41Å; F483-E795 HydrophobicContact CE2-CB 4.04Å; F483-E795 HydrophobicContact CE2-CG 4.02Å; F483-E795 HydrophobicContact CZ-CB 4.2Å; F483-E795 HydrophobicContact CZ-CG 4.48Å; F483-E795 WeakPolarHBondContact CZ-O 3.5Å; F483-R797 HydrophobicContact CD1-CB 3.81Å; F483-R797 HydrophobicContact CD2-CB 4.18Å; F483-R797 HydrophobicContact CE1-CB 3.8Å; F483-R797 HydrophobicContact CE2-CB 4.16Å; F483-R797 HydrophobicContact CG-CB 4Å; F483-R797 HydrophobicContact CZ-CB 3.98Å; F483-F806 HydrophobicContact CD2-CD1 4.09Å; F483-F806 AromaticContact CD2-CE1 3.73Å; F483-F806 HydrophobicContact CD2-CE1 3.73Å; F483-F806 HydrophobicContact CE2-CD1 4.11Å; F483-F806 HydrophobicContact CE2-CE1 4.23Å; F483-F806 HydrophobicContact CG-CE1 4.38Å |
| 484 | A | 89.6 | Confident | 85 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 127 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y476 D507 S511 R797 | Y476-A484 HydrophobicContact CD1-CB 4.08Å; Y476-A484 HydrophobicContact CE1-CB 3.86Å; A484-D507 HydrophobicContact CB-CB 4.1Å; A484-D507 WeakPolarHBondContact CB-OD2 3.44Å; A484-S511 PolarHBondContact N-OG 3.33Å; A484-R797 VanDerWaalsContact O-CZ 3.24Å; A484-R797 PolarHBondContact O-NH1 3.3Å; A484-R797 PolarHBondContact O-NH2 2.98Å |
| 485 | T | 87.7 | Confident | 84.9 | Confident | 60 Ų | 60 | 26.9 Ų | 26.9 | 37% | 0.368 | 14% | 0.139 | S | C | . | . | trans | -92.9 | -6.6 | 177.3 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | G475 A477 F483 | G475-T485 VanDerWaalsContact C-OG1 3.26Å; G475-T485 PolarHBondContact O-N 3.03Å; G475-T485 PolarHBondContact O-OG1 3.14Å; A477-T485 HydrophobicContact CB-CG2 3.54Å; F483-T485 PolarHBondContact O-N 2.94Å | ||
| 486 | L | 88.2 | Confident | 84.4 | Confident | 44 Ų | 44 | 26.9 Ų | 26.9 | 23% | 0.23 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -92.9 | 155 | 179.5 | -59.5 | 169.4 | 0 | 0 | 0 | 111.6 | L505 D507 P516 | L486-L505 HydrophobicContact CD1-CD2 3.78Å; L486-L505 HydrophobicContact CD1-CG 3.82Å; L486-D507 HydrophobicContact CB-CB 3.74Å; L486-D507 HydrophobicContact CD1-CB 4.32Å; L486-P516 HydrophobicContact CD1-CB 3.59Å; L486-P516 HydrophobicContact CD1-CG 3.76Å |
| 487 | E | 88.2 | Confident | 83.7 | Confident | 31 Ų | 31 | 28.4 Ų | 28.4 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | trans | -79.9 | 156.7 | 178.2 | -71.6 | -53.8 | 137 | 0 | 0 | 112.8 | N489 A492 L493 L496 I506 D507 R786 | E487-N489 PolarHBondContact O-N 3.15Å; E487-A492 HydrophobicContact CB-CB 4.21Å; E487-A492 WeakPolarHBondContact OE2-CB 2.97Å; E487-L493 HydrophobicContact CB-CD2 3.81Å; E487-L493 HydrophobicContact CB-CG 3.81Å; E487-L493 HydrophobicContact CG-CD2 3.69Å; E487-L493 HydrophobicContact CG-CG 4.1Å; E487-L496 VanDerWaalsContact CD-CD1 3.45Å; E487-L496 HydrophobicContact CG-CD1 3.78Å; E487-L496 VanDerWaalsContact OE1-CD1 3.27Å; E487-L496 WeakPolarHBondContact OE1-CD1 3.35Å; E487-I506 CarbonylContact O-C 3.5Å; E487-I506 VanDerWaalsContact O-CA 3.28Å; E487-I506 WeakPolarHBondContact O-CA 3.29Å; E487-I506 WeakPolarHBondContact O-CB 3.39Å; E487-D507 PolarHBondContact O-N 2.85Å; E487-R786 VanDerWaalsContact CD-NH1 3.32Å; E487-R786 IonicContact OE1-CZ 2.71Å; E487-R786 IonicContact OE1-NH1 2.63Å; E487-R786 PolarHBondContact OE1-NH1 2.8Å; E487-R786 IonicContact OE1-NH2 2.9Å; E487-R786 PolarHBondContact OE1-NH2 3.12Å; E487-R786 IonicContact OE2-CZ 2.73Å; E487-R786 IonicContact OE2-NH1 3.18Å; E487-R786 PolarHBondContact OE2-NH1 3.21Å; E487-R786 IonicContact OE2-NH2 3.31Å | ||
| 488 | K | 81.5 | Confident | 83 | Confident | 85 Ų | 85 | 30 Ų | 30 | 37% | 0.37 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -79.6 | -16 | -171.7 | -59.7 | -161.9 | 165.4 | -162.3 | 0 | 116.1 | D507 D509 Y560 | K488-D507 VanDerWaalsContact CA-O 3.31Å; K488-D507 WeakPolarHBondContact CA-O 3.25Å; K488-D507 WeakPolarHBondContact CG-O 3.36Å; K488-D509 WeakPolarHBondContact CE-O 3.29Å; K488-D509 PolarHBondContact NZ-O 3.15Å; K488-Y560 PolarHBondContact O-OH 3.25Å |
| 489 | N | 82.6 | Confident | 82.5 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -176.7 | 170.2 | -176.4 | 47.5 | 75.9 | 0 | 0 | 0 | 109.9 | E487 Q491 A492 L493 Y560 | E487-N489 PolarHBondContact O-N 3.15Å; N489-Q491 PolarHBondContact O-N 2.86Å; N489-Q491 WeakPolarHBondContact OD1-CB 3.46Å; N489-Q491 PolarHBondContact OD1-N 2.93Å; N489-A492 PolarHBondContact O-N 2.87Å; N489-A492 PolarHBondContact OD1-N 3.16Å; N489-L493 PolarHBondContact O-N 2.92Å; N489-Y560 HydrophobicContact CB-CE1 4.39Å |
| 490 | C | 84.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -27 | 179.3 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | L493 Y494 C521 M523 A530 T532 | C490-L493 PolarHBondContact O-N 3.42Å; C490-Y494 WeakPolarHBondContact O-CB 3.48Å; C490-Y494 PolarHBondContact O-N 3.02Å; C490-C521 HydrophobicContact CB-CB 3.65Å; C490-C521 WeakPolarHBondContact CB-SG 3.33Å; C490-C521 WeakPolarHBondContact SG-CA 3.28Å; C490-C521 WeakPolarHBondContact SG-CB 3.38Å; C490-C521 CovalentContact SG-SG 2.03Å; C490-C521 PolarHBondContact SG-SG 2.82Å; C490-M523 HydrophobicContact CB-CE 4.26Å; C490-M523 HydrophobicContact CB-SD 4.36Å; C490-A530 VanDerWaalsContact C-CB 3.46Å; C490-A530 HydrophobicContact CB-CB 3.86Å; C490-A530 VanDerWaalsContact O-CB 3.29Å; C490-A530 WeakPolarHBondContact O-CB 3.06Å; C490-T532 VanDerWaalsContact CB-OG1 3.29Å; C490-T532 WeakPolarHBondContact CB-OG1 3.32Å; C490-T532 PolarHBondContact N-OG1 3.41Å; C490-T532 VanDerWaalsContact SG-CA 3.58Å; C490-T532 PolarHBondContact SG-OG1 2.94Å; C490-T532 VanDerWaalsContact SG-OG1 3.32Å |
| 491 | Q | 83.4 | Confident | 82.5 | Confident | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 175.4 | -169.3 | 66.7 | 55 | 0 | 0 | 110.9 | N489 L493 Y494 D495 | N489-Q491 PolarHBondContact O-N 2.86Å; N489-Q491 WeakPolarHBondContact OD1-CB 3.46Å; N489-Q491 PolarHBondContact OD1-N 2.93Å; Q491-L493 VanDerWaalsContact C-N 3.32Å; Q491-L493 PolarHBondContact O-N 3.1Å; Q491-Y494 CarbonylContact O-C 3.53Å; Q491-Y494 WeakPolarHBondContact O-CB 3.22Å; Q491-Y494 PolarHBondContact O-N 3.24Å; Q491-Y494 VanDerWaalsContact O-N 3.14Å; Q491-D495 PolarHBondContact NE2-OD1 3.27Å; Q491-D495 WeakPolarHBondContact O-CB 3.18Å; Q491-D495 PolarHBondContact O-N 3.17Å |
| 492 | A | 82.2 | Confident | 82.2 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E487 N489 L496 | E487-A492 HydrophobicContact CB-CB 4.21Å; E487-A492 WeakPolarHBondContact OE2-CB 2.97Å; N489-A492 PolarHBondContact O-N 2.87Å; N489-A492 PolarHBondContact OD1-N 3.16Å; A492-L496 WeakPolarHBondContact O-CG 2.97Å; A492-L496 PolarHBondContact O-N 2.95Å |
| 493 | L | 83.2 | Confident | 82 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 170.4 | -71.5 | 167.9 | 0 | 0 | 0 | 111.8 | E487 N489 C490 Q491 L496 G497 E498 Y504 I506 M523 | E487-L493 HydrophobicContact CB-CD2 3.81Å; E487-L493 HydrophobicContact CB-CG 3.81Å; E487-L493 HydrophobicContact CG-CD2 3.69Å; E487-L493 HydrophobicContact CG-CG 4.1Å; N489-L493 PolarHBondContact O-N 2.92Å; C490-L493 PolarHBondContact O-N 3.42Å; Q491-L493 VanDerWaalsContact C-N 3.32Å; Q491-L493 PolarHBondContact O-N 3.1Å; L493-L496 PolarHBondContact O-N 3.5Å; L493-G497 PolarHBondContact O-N 3.19Å; L493-E498 HydrophobicContact CB-CB 4.16Å; L493-E498 HydrophobicContact CB-CG 4.2Å; L493-E498 HydrophobicContact CD2-CG 4.29Å; L493-E498 WeakPolarHBondContact O-CB 3.48Å; L493-E498 PolarHBondContact O-N 2.93Å; L493-Y504 HydrophobicContact CD1-CD1 3.62Å; L493-Y504 HydrophobicContact CD1-CE1 4.27Å; L493-Y504 HydrophobicContact CD1-CG 3.86Å; L493-I506 HydrophobicContact CD1-CG2 4.03Å; L493-M523 HydrophobicContact CB-CE 4.07Å |
| 494 | Y | 79.6 | Confident | 81.6 | Confident | 45 Ų | 45 | 47.1 Ų | 47.1 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.2 | -175.1 | -86.1 | 0 | 0 | 0 | 112 | C490 Q491 L496 G497 E498 R499 M523 G528 A530 | C490-Y494 WeakPolarHBondContact O-CB 3.48Å; C490-Y494 PolarHBondContact O-N 3.02Å; Q491-Y494 CarbonylContact O-C 3.53Å; Q491-Y494 WeakPolarHBondContact O-CB 3.22Å; Q491-Y494 PolarHBondContact O-N 3.24Å; Q491-Y494 VanDerWaalsContact O-N 3.14Å; Y494-L496 PolarHBondContact O-N 2.91Å; Y494-G497 PolarHBondContact O-N 2.89Å; Y494-E498 WeakPolarHBondContact CA-O 3.41Å; Y494-R499 PolarHBondContact O-NH1 2.92Å; Y494-R499 PolarHBondContact O-NH2 2.87Å; Y494-M523 HydrophobicContact CD2-CB 4.15Å; Y494-M523 HydrophobicContact CD2-SD 4.16Å; Y494-M523 HydrophobicContact CE2-CB 4.49Å; Y494-G528 WeakPolarHBondContact CE1-O 3.33Å; Y494-A530 HydrophobicContact CD2-CB 4.43Å; Y494-A530 HydrophobicContact CG-CB 4.26Å |
| 495 | D | 76.3 | Confident | 81.4 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -31.6 | 178.1 | -61.1 | -13.7 | 0 | 0 | 0 | 111.2 | Q491 G497 W715 | Q491-D495 PolarHBondContact NE2-OD1 3.27Å; Q491-D495 WeakPolarHBondContact O-CB 3.18Å; Q491-D495 PolarHBondContact O-N 3.17Å; D495-G497 VanDerWaalsContact C-N 3.34Å; D495-W715 HydrophobicContact CB-CH2 3.79Å; D495-W715 HydrophobicContact CB-CZ2 3.92Å |
| 496 | L | 74.8 | Confident | 81.3 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -10.4 | 173.5 | -76 | 174.3 | 0 | 0 | 0 | 115.3 | E487 A492 L493 Y494 W715 R783 | E487-L496 VanDerWaalsContact CD-CD1 3.45Å; E487-L496 HydrophobicContact CG-CD1 3.78Å; E487-L496 VanDerWaalsContact OE1-CD1 3.27Å; E487-L496 WeakPolarHBondContact OE1-CD1 3.35Å; A492-L496 WeakPolarHBondContact O-CG 2.97Å; A492-L496 PolarHBondContact O-N 2.95Å; L493-L496 PolarHBondContact O-N 3.5Å; Y494-L496 PolarHBondContact O-N 2.91Å; L496-W715 HydrophobicContact CD2-CH2 4.18Å; L496-W715 HydrophobicContact CG-CH2 4.48Å; L496-R783 PolarHBondContact O-NH2 2.7Å |
| 497 | G | 72.1 | Confident | 81.2 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 115.4 | 1.9 | 176 | 0 | 0 | 0 | 0 | 0 | 116.3 | L493 Y494 D495 R499 | L493-G497 PolarHBondContact O-N 3.19Å; Y494-G497 PolarHBondContact O-N 2.89Å; D495-G497 VanDerWaalsContact C-N 3.34Å; G497-R499 PolarHBondContact O-N 3.3Å |
| 498 | E | 77.3 | Confident | 80.5 | Confident | 49 Ų | 49 | 44 Ų | 44 | 23% | 0.229 | 22% | 0.218 | C | C | . | . | trans | -68.6 | 130.3 | 174.2 | -65 | -63 | 148.7 | 0 | 0 | 110.6 | L493 Y494 M523 R802 | L493-E498 HydrophobicContact CB-CB 4.16Å; L493-E498 HydrophobicContact CB-CG 4.2Å; L493-E498 HydrophobicContact CD2-CG 4.29Å; L493-E498 WeakPolarHBondContact O-CB 3.48Å; L493-E498 PolarHBondContact O-N 2.93Å; Y494-E498 WeakPolarHBondContact CA-O 3.41Å; E498-M523 HydrophobicContact CB-CE 4.28Å; E498-R802 IonicContact OE1-CZ 3.43Å; E498-R802 IonicContact OE1-NH1 3.21Å; E498-R802 IonicContact OE1-NH2 3.8Å; E498-R802 PolarHBondContact OE1-NH2 2.89Å | ||
| 499 | R | 77.3 | Confident | 79.9 | Confident | 127 Ų | 127 | 42.1 Ų | 42.1 | 48% | 0.479 | 21% | 0.212 | S | C | . | . | trans | -126 | 0.1 | -176.5 | -66.4 | -68.8 | 174 | -81 | 3.6 | 114 | Y494 G497 | Y494-R499 PolarHBondContact O-NH1 2.92Å; Y494-R499 PolarHBondContact O-NH2 2.87Å; G497-R499 PolarHBondContact O-N 3.3Å | ||
| 500 | R | 79.7 | Confident | 79.9 | Confident | 203 Ų | 203 | 42.1 Ų | 42.1 | 77% | 0.766 | 21% | 0.212 | S | C | * | . | trans | -92.9 | 130.1 | -179.2 | -63.5 | -176.6 | -179.7 | -166.3 | -0.5 | 109.6 | Y504 M523 | R500-Y504 WeakPolarHBondContact O-CE2 3.46Å; R500-Y504 PolarHBondContact O-OH 3.09Å; R500-Y504 VanDerWaalsContact O-OH 3.14Å; R500-M523 VanDerWaalsContact O-CG 3.23Å; R500-M523 WeakPolarHBondContact O-CG 3.03Å | ||
| 501 | S | 83.1 | Confident | 79.7 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 34% | 0.343 | 22% | 0.221 | S | C | . | . | trans | -77.1 | 142.1 | 168.4 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | C521 N522 M523 N524 | S501-C521 CarbonylContact C-O 3.46Å; S501-C521 VanDerWaalsContact CA-O 3.24Å; S501-C521 WeakPolarHBondContact CA-O 3.36Å; S501-C521 WeakPolarHBondContact CB-O 3.34Å; S501-N522 PolarHBondContact OG-OD1 2.82Å; S501-M523 PolarHBondContact OG-N 3.05Å; S501-N524 PolarHBondContact OG-OD1 3.4Å; S501-N524 VanDerWaalsContact OG-OD1 3.14Å | ||
| 502 | G | 80.6 | Confident | 79 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -171.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C521 | G502-C521 PolarHBondContact N-O 2.74Å; G502-C521 PolarHBondContact O-N 2.87Å |
| 503 | I | 78.9 | Confident | 78.1 | Confident | 67 Ų | 67 | 44.6 Ų | 44.6 | 34% | 0.344 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.7 | 173.8 | -59.8 | 169 | 0 | 0 | 0 | 108.8 | Y518 V519 V520 M1333 | I503-Y518 HydrophobicContact CG2-CD1 3.88Å; I503-Y518 HydrophobicContact CG2-CG 4.5Å; I503-V519 WeakPolarHBondContact CA-O 3.32Å; I503-V520 HydrophobicContact CG1-CG2 4.29Å; I503-M1333 HydrophobicContact CD1-CB 3.89Å; I503-M1333 HydrophobicContact CD1-CG 4.45Å |
| 504 | Y | 82.9 | Confident | 77.3 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 18% | 0.18 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.7 | 176.7 | -75.3 | -98.6 | 0 | 0 | 0 | 110.4 | L493 R500 Y518 V519 C521 M523 | L493-Y504 HydrophobicContact CD1-CD1 3.62Å; L493-Y504 HydrophobicContact CD1-CE1 4.27Å; L493-Y504 HydrophobicContact CD1-CG 3.86Å; R500-Y504 WeakPolarHBondContact O-CE2 3.46Å; R500-Y504 PolarHBondContact O-OH 3.09Å; R500-Y504 VanDerWaalsContact O-OH 3.14Å; Y504-Y518 WeakPolarHBondContact O-CA 3.45Å; Y504-V519 PolarHBondContact N-O 3.26Å; Y504-V519 PolarHBondContact O-N 2.99Å; Y504-C521 HydrophobicContact CD2-CB 3.66Å; Y504-C521 VanDerWaalsContact CD2-SG 3.56Å; Y504-C521 HydrophobicContact CE2-CB 4.07Å; Y504-M523 HydrophobicContact CE2-CE 4.32Å |
| 505 | L | 84.4 | Confident | 76.8 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123 | 167.2 | -170.5 | 67.4 | 0 | 0 | 0 | 108.3 | L486 P516 Y518 | L486-L505 HydrophobicContact CD1-CD2 3.78Å; L486-L505 HydrophobicContact CD1-CG 3.82Å; L505-P516 HydrophobicContact CD1-CB 3.91Å; L505-P516 HydrophobicContact CD2-CB 4.29Å; L505-P516 HydrophobicContact CG-CB 3.96Å; L505-Y518 HydrophobicContact CB-CD1 4.11Å; L505-Y518 HydrophobicContact CB-CE1 3.9Å; L505-Y518 HydrophobicContact CD1-CD1 3.96Å; L505-Y518 HydrophobicContact CD1-CD2 3.89Å; L505-Y518 HydrophobicContact CD1-CE1 3.89Å; L505-Y518 HydrophobicContact CD1-CE2 3.81Å; L505-Y518 HydrophobicContact CD1-CG 3.96Å; L505-Y518 HydrophobicContact CG-CE1 4.37Å |
| 506 | I | 85.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.8 | 178.3 | 61.4 | 162.3 | 0 | 0 | 0 | 110 | E487 L493 P508 P516 V517 V519 T532 Y560 | E487-I506 CarbonylContact O-C 3.5Å; E487-I506 VanDerWaalsContact O-CA 3.28Å; E487-I506 WeakPolarHBondContact O-CA 3.29Å; E487-I506 WeakPolarHBondContact O-CB 3.39Å; L493-I506 HydrophobicContact CD1-CG2 4.03Å; I506-P508 HydrophobicContact CD1-CG 4.1Å; I506-P508 HydrophobicContact CG1-CG 4.21Å; I506-P516 CarbonylContact O-C 3.41Å; I506-P516 WeakPolarHBondContact O-CA 3.45Å; I506-P516 WeakPolarHBondContact O-CB 3.47Å; I506-V517 HydrophobicContact CD1-CG1 4.15Å; I506-V517 HydrophobicContact CG1-CG1 3.67Å; I506-V517 WeakPolarHBondContact CG1-O 3.39Å; I506-V517 PolarHBondContact N-O 2.76Å; I506-V517 PolarHBondContact O-N 3.15Å; I506-V519 HydrophobicContact CB-CG2 4.45Å; I506-V519 HydrophobicContact CD1-CB 4.35Å; I506-V519 HydrophobicContact CD1-CG1 3.64Å; I506-V519 HydrophobicContact CD1-CG2 3.81Å; I506-V519 HydrophobicContact CG1-CB 4.49Å; I506-V519 HydrophobicContact CG1-CG1 3.88Å; I506-V519 HydrophobicContact CG1-CG2 3.77Å; I506-V519 HydrophobicContact CG2-CG2 3.88Å; I506-T532 HydrophobicContact CD1-CG2 3.96Å; I506-Y560 HydrophobicContact CD1-CD1 3.87Å; I506-Y560 HydrophobicContact CD1-CE1 3.97Å |
| 507 | D | 85.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -111.9 | 100.8 | 171.1 | -174.6 | -26.7 | 0 | 0 | 0 | 109.1 | Y476 A484 L486 E487 K488 G510 P516 | Y476-D507 WeakPolarHBondContact CE1-OD2 3.33Å; Y476-D507 VanDerWaalsContact CZ-OD2 3.25Å; Y476-D507 PolarHBondContact OH-OD2 2.03Å; A484-D507 HydrophobicContact CB-CB 4.1Å; A484-D507 WeakPolarHBondContact CB-OD2 3.44Å; L486-D507 HydrophobicContact CB-CB 3.74Å; L486-D507 HydrophobicContact CD1-CB 4.32Å; E487-D507 PolarHBondContact O-N 2.85Å; K488-D507 VanDerWaalsContact CA-O 3.31Å; K488-D507 WeakPolarHBondContact CA-O 3.25Å; K488-D507 WeakPolarHBondContact CG-O 3.36Å; D507-G510 VanDerWaalsContact CG-O 3.28Å; D507-G510 PolarHBondContact O-N 3.02Å; D507-G510 WeakPolarHBondContact OD1-CA 3.39Å; D507-G510 PolarHBondContact OD1-N 2.62Å; D507-G510 VanDerWaalsContact OD2-O 3.06Å; D507-P516 HydrophobicContact CB-CB 4.41Å; D507-P516 HydrophobicContact CB-CG 4.3Å | ||
| 508 | P | 73.8 | Confident | 77.2 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -86.1 | -28.7 | -159.9 | -8.4 | 26.1 | 0 | 0 | 0 | 116.2 | I506 V517 Y560 | I506-P508 HydrophobicContact CD1-CG 4.1Å; I506-P508 HydrophobicContact CG1-CG 4.21Å; P508-V517 HydrophobicContact CG-CG1 3.41Å; P508-V517 VanDerWaalsContact CG-CG1 3.41Å; P508-Y560 HydrophobicContact CB-CD1 4.13Å; P508-Y560 HydrophobicContact CB-CD2 3.1Å; P508-Y560 HydrophobicContact CB-CE1 3.9Å; P508-Y560 HydrophobicContact CB-CE2 2.97Å; P508-Y560 HydrophobicContact CB-CG 3.78Å; P508-Y560 HydrophobicContact CG-CD1 4.24Å; P508-Y560 HydrophobicContact CG-CD2 3.49Å; P508-Y560 VanDerWaalsContact CG-CD2 3.49Å; P508-Y560 HydrophobicContact CG-CE1 4.44Å; P508-Y560 HydrophobicContact CG-CE2 3.9Å; P508-Y560 HydrophobicContact CG-CG 3.77Å |
| 509 | D | 69.9 | Low | 77.4 | Confident | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -83.8 | -18.7 | 163.8 | 53.6 | -47.2 | 0 | 0 | 0 | 111.8 | K488 G512 P513 L514 | K488-D509 WeakPolarHBondContact CE-O 3.29Å; K488-D509 PolarHBondContact NZ-O 3.15Å; D509-G512 VanDerWaalsContact OD2-C 3.26Å; D509-G512 VanDerWaalsContact OD2-CA 3.24Å; D509-G512 WeakPolarHBondContact OD2-CA 3.35Å; D509-P513 VanDerWaalsContact OD2-CD 3.31Å; D509-P513 WeakPolarHBondContact OD2-CD 3.31Å; D509-L514 VanDerWaalsContact OD1-CB 3.31Å; D509-L514 WeakPolarHBondContact OD1-CB 3.48Å; D509-L514 WeakPolarHBondContact OD2-CG 3.47Å; D509-L514 PolarHBondContact OD2-N 2.78Å |
| 510 | G | 81.8 | Confident | 77.7 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 79.9 | -128 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | D507 G512 | D507-G510 VanDerWaalsContact CG-O 3.28Å; D507-G510 PolarHBondContact O-N 3.02Å; D507-G510 WeakPolarHBondContact OD1-CA 3.39Å; D507-G510 PolarHBondContact OD1-N 2.62Å; D507-G510 VanDerWaalsContact OD2-O 3.06Å; G510-G512 PolarHBondContact O-N 3.03Å |
| 511 | S | 80 | Confident | 77.8 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -68.1 | 32.7 | 178.8 | -43.9 | 0 | 0 | 0 | 0 | 114.5 | Q482 A484 E790 | Q482-S511 WeakPolarHBondContact O-CB 3.36Å; A484-S511 PolarHBondContact N-OG 3.33Å; S511-E790 PolarHBondContact OG-OE1 3.08Å |
| 512 | G | 70.1 | Confident | 77.8 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 19% | 0.186 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -100.6 | -174 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H455 D509 G510 | H455-G512 PolarHBondContact NE2-O 2.7Å; H455-G512 VanDerWaalsContact NE2-O 3.14Å; D509-G512 VanDerWaalsContact OD2-C 3.26Å; D509-G512 VanDerWaalsContact OD2-CA 3.24Å; D509-G512 WeakPolarHBondContact OD2-CA 3.35Å; G510-G512 PolarHBondContact O-N 3.03Å |
| 513 | P | 63.1 | Low | 77.7 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -93 | 10.2 | -166.8 | 40.5 | -42.2 | 0 | 0 | 0 | 114.8 | E253 D509 | E253-P513 HydrophobicContact CB-CB 4.28Å; E253-P513 HydrophobicContact CG-CB 4.4Å; D509-P513 VanDerWaalsContact OD2-CD 3.31Å; D509-P513 WeakPolarHBondContact OD2-CD 3.31Å |
| 514 | L | 66.7 | Low | 77.5 | Confident | 69 Ų | 69 | 41.2 Ų | 41.2 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -96 | 143.2 | 177 | -44.1 | 175.8 | 0 | 0 | 0 | 109.6 | R224 Y476 D509 | R224-L514 VanDerWaalsContact NH2-CD2 3.33Å; Y476-L514 PolarHBondContact OH-O 3.36Å; D509-L514 VanDerWaalsContact OD1-CB 3.31Å; D509-L514 WeakPolarHBondContact OD1-CB 3.48Å; D509-L514 WeakPolarHBondContact OD2-CG 3.47Å; D509-L514 PolarHBondContact OD2-N 2.78Å |
| 515 | D | 68.9 | Low | 76.7 | Confident | 118 Ų | 118 | 40.9 Ų | 40.9 | 63% | 0.631 | 22% | 0.223 | S | C | * | . | P | Polyproline II helix | trans | -70.8 | 151.3 | 176.8 | -52.1 | -63.1 | 0 | 0 | 0 | 111.7 | ||
| 516 | P | 78.9 | Confident | 75.6 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 20% | 0.201 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 151.9 | 175.9 | -23.4 | 35.9 | 0 | 0 | 0 | 113.2 | Y476 L486 L505 I506 D507 | Y476-P516 HydrophobicContact CE2-CG 4.06Å; Y476-P516 WeakPolarHBondContact OH-CD 3.29Å; L486-P516 HydrophobicContact CD1-CB 3.59Å; L486-P516 HydrophobicContact CD1-CG 3.76Å; L505-P516 HydrophobicContact CD1-CB 3.91Å; L505-P516 HydrophobicContact CD2-CB 4.29Å; L505-P516 HydrophobicContact CG-CB 3.96Å; I506-P516 CarbonylContact O-C 3.41Å; I506-P516 WeakPolarHBondContact O-CA 3.45Å; I506-P516 WeakPolarHBondContact O-CB 3.47Å; D507-P516 HydrophobicContact CB-CB 4.41Å; D507-P516 HydrophobicContact CB-CG 4.3Å |
| 517 | V | 72.8 | Confident | 74.3 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.8 | -171.4 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | I506 P508 V519 K559 | I506-V517 HydrophobicContact CD1-CG1 4.15Å; I506-V517 HydrophobicContact CG1-CG1 3.67Å; I506-V517 WeakPolarHBondContact CG1-O 3.39Å; I506-V517 PolarHBondContact N-O 2.76Å; I506-V517 PolarHBondContact O-N 3.15Å; P508-V517 HydrophobicContact CG-CG1 3.41Å; P508-V517 VanDerWaalsContact CG-CG1 3.41Å; V517-V519 HydrophobicContact CG1-CG1 4.33Å; V517-V519 HydrophobicContact CG2-CG1 4.21Å; V517-K559 HydrophobicContact CB-CB 4.04Å; V517-K559 HydrophobicContact CG2-CB 3.28Å; V517-K559 HydrophobicContact CG2-CD 4.31Å; V517-K559 HydrophobicContact CG2-CG 4.41Å |
| 518 | Y | 78.9 | Confident | 73.3 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.3 | 168.3 | -70.4 | -76 | 0 | 0 | 0 | 110.9 | I503 Y504 L505 | I503-Y518 HydrophobicContact CG2-CD1 3.88Å; I503-Y518 HydrophobicContact CG2-CG 4.5Å; Y504-Y518 WeakPolarHBondContact O-CA 3.45Å; L505-Y518 HydrophobicContact CB-CD1 4.11Å; L505-Y518 HydrophobicContact CB-CE1 3.9Å; L505-Y518 HydrophobicContact CD1-CD1 3.96Å; L505-Y518 HydrophobicContact CD1-CD2 3.89Å; L505-Y518 HydrophobicContact CD1-CE1 3.89Å; L505-Y518 HydrophobicContact CD1-CE2 3.81Å; L505-Y518 HydrophobicContact CD1-CG 3.96Å; L505-Y518 HydrophobicContact CG-CE1 4.37Å |
| 519 | V | 82.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.1 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | I503 Y504 I506 V517 T532 V534 | I503-V519 WeakPolarHBondContact CA-O 3.32Å; Y504-V519 PolarHBondContact N-O 3.26Å; Y504-V519 PolarHBondContact O-N 2.99Å; I506-V519 HydrophobicContact CB-CG2 4.45Å; I506-V519 HydrophobicContact CD1-CB 4.35Å; I506-V519 HydrophobicContact CD1-CG1 3.64Å; I506-V519 HydrophobicContact CD1-CG2 3.81Å; I506-V519 HydrophobicContact CG1-CB 4.49Å; I506-V519 HydrophobicContact CG1-CG1 3.88Å; I506-V519 HydrophobicContact CG1-CG2 3.77Å; I506-V519 HydrophobicContact CG2-CG2 3.88Å; V517-V519 HydrophobicContact CG1-CG1 4.33Å; V517-V519 HydrophobicContact CG2-CG1 4.21Å; V519-T532 HydrophobicContact CB-CG2 3.94Å; V519-T532 HydrophobicContact CG1-CG2 3.89Å; V519-T532 HydrophobicContact CG2-CG2 3.99Å; V519-V534 HydrophobicContact CG1-CG2 4.08Å |
| 520 | V | 82.1 | Confident | 73.6 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 38% | 0.382 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.9 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | I503 T533 | I503-V520 HydrophobicContact CG1-CG2 4.29Å; V520-T533 PolarHBondContact N-O 3.37Å; V520-T533 PolarHBondContact O-N 2.92Å |
| 521 | C | 83.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.1 | 171.5 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | C490 S501 G502 Y504 M523 W531 | C490-C521 HydrophobicContact CB-CB 3.65Å; C490-C521 WeakPolarHBondContact CB-SG 3.33Å; C490-C521 WeakPolarHBondContact SG-CA 3.28Å; C490-C521 WeakPolarHBondContact SG-CB 3.38Å; C490-C521 CovalentContact SG-SG 2.03Å; C490-C521 PolarHBondContact SG-SG 2.82Å; S501-C521 CarbonylContact C-O 3.46Å; S501-C521 VanDerWaalsContact CA-O 3.24Å; S501-C521 WeakPolarHBondContact CA-O 3.36Å; S501-C521 WeakPolarHBondContact CB-O 3.34Å; G502-C521 PolarHBondContact N-O 2.74Å; G502-C521 PolarHBondContact O-N 2.87Å; Y504-C521 HydrophobicContact CD2-CB 3.66Å; Y504-C521 VanDerWaalsContact CD2-SG 3.56Å; Y504-C521 HydrophobicContact CE2-CB 4.07Å; C521-M523 HydrophobicContact CB-CE 3.65Å; C521-M523 HydrophobicContact CB-SD 4.07Å; C521-W531 WeakPolarHBondContact CA-O 3.39Å |
| 522 | N | 81.9 | Confident | 73.9 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.7 | 163.3 | -179.2 | 7 | 0 | 0 | 0 | 108.7 | S501 N524 A530 W531 | S501-N522 PolarHBondContact OG-OD1 2.82Å; N522-N524 PolarHBondContact OD1-N 3.01Å; N522-A530 WeakPolarHBondContact O-CA 3.3Å; N522-W531 HydrophobicContact CB-CB 4.31Å; N522-W531 PolarHBondContact N-O 3.21Å; N522-W531 PolarHBondContact O-N 3.48Å |
| 523 | M | 78.8 | Confident | 74.5 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | trans | -97.4 | -1.6 | -177.9 | -53 | -54.6 | -162 | 0 | 0 | 112.9 | C490 L493 Y494 E498 R500 S501 Y504 C521 D525 A530 | C490-M523 HydrophobicContact CB-CE 4.26Å; C490-M523 HydrophobicContact CB-SD 4.36Å; L493-M523 HydrophobicContact CB-CE 4.07Å; Y494-M523 HydrophobicContact CD2-CB 4.15Å; Y494-M523 HydrophobicContact CD2-SD 4.16Å; Y494-M523 HydrophobicContact CE2-CB 4.49Å; E498-M523 HydrophobicContact CB-CE 4.28Å; R500-M523 VanDerWaalsContact O-CG 3.23Å; R500-M523 WeakPolarHBondContact O-CG 3.03Å; S501-M523 PolarHBondContact OG-N 3.05Å; Y504-M523 HydrophobicContact CE2-CE 4.32Å; C521-M523 HydrophobicContact CB-CE 3.65Å; C521-M523 HydrophobicContact CB-SD 4.07Å; M523-D525 PolarHBondContact O-N 2.79Å; M523-A530 HydrophobicContact SD-CB 3.48Å; M523-A530 WeakPolarHBondContact SD-CB 3.48Å | ||
| 524 | N | 74.9 | Confident | 75.2 | Confident | 116 Ų | 116 | 53.2 Ų | 53.2 | 62% | 0.62 | 28% | 0.28 | S | S | * | . | trans | -99.9 | 35.1 | -169.4 | -59.1 | 4.5 | 0 | 0 | 0 | 112.6 | S501 N522 | S501-N524 PolarHBondContact OG-OD1 3.4Å; S501-N524 VanDerWaalsContact OG-OD1 3.14Å; N522-N524 PolarHBondContact OD1-N 3.01Å | ||
| 525 | D | 67.4 | Low | 75.7 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | trans | -78.3 | 129.3 | 173.9 | -170.4 | 45.6 | 0 | 0 | 0 | 109.9 | M523 M527 G528 N529 | M523-D525 PolarHBondContact O-N 2.79Å; D525-M527 PolarHBondContact O-N 3.14Å; D525-G528 PolarHBondContact O-N 3.23Å; D525-N529 HydrophobicContact CB-CB 4.48Å; D525-N529 WeakPolarHBondContact CB-O 3.06Å; D525-N529 WeakPolarHBondContact OD2-CB 3.29Å; D525-N529 PolarHBondContact OD2-ND2 3.28Å | ||
| 526 | D | 59.8 | Low | 76.2 | Confident | 174 Ų | 174 | 47 Ų | 47 | 93% | 0.93 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.9 | -178.5 | -64.3 | -41.9 | 0 | 0 | 0 | 113 | G528 | D526-G528 VanDerWaalsContact C-N 3.35Š|
| 527 | M | 59.5 | Low | 76.1 | Confident | 141 Ų | 141 | 46.3 Ų | 46.3 | 70% | 0.695 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 2.9 | 175.9 | -60.7 | -179.4 | -67.6 | 0 | 0 | 113.8 | D525 N529 | D525-M527 PolarHBondContact O-N 3.14Å; M527-N529 WeakPolarHBondContact CB-ND2 3.02Å |
| 528 | G | 64.1 | Low | 76.6 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 74.5 | 19.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y494 D525 D526 | Y494-G528 WeakPolarHBondContact CE1-O 3.33Å; D525-G528 PolarHBondContact O-N 3.23Å; D526-G528 VanDerWaalsContact C-N 3.35Å |
| 529 | N | 71.7 | Confident | 76.6 | Confident | 37 Ų | 37 | 43 Ų | 43 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -91.7 | 150.7 | 172.2 | -49.3 | -83 | 0 | 0 | 0 | 111 | D525 M527 | D525-N529 HydrophobicContact CB-CB 4.48Å; D525-N529 WeakPolarHBondContact CB-O 3.06Å; D525-N529 WeakPolarHBondContact OD2-CB 3.29Å; D525-N529 PolarHBondContact OD2-ND2 3.28Å; M527-N529 WeakPolarHBondContact CB-ND2 3.02Å |
| 530 | A | 78.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 134.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C490 Y494 N522 M523 T668 | C490-A530 VanDerWaalsContact C-CB 3.46Å; C490-A530 HydrophobicContact CB-CB 3.86Å; C490-A530 VanDerWaalsContact O-CB 3.29Å; C490-A530 WeakPolarHBondContact O-CB 3.06Å; Y494-A530 HydrophobicContact CD2-CB 4.43Å; Y494-A530 HydrophobicContact CG-CB 4.26Å; N522-A530 WeakPolarHBondContact O-CA 3.3Å; M523-A530 HydrophobicContact SD-CB 3.48Å; M523-A530 WeakPolarHBondContact SD-CB 3.48Å; A530-T668 PolarHBondContact O-OG1 2.84Å |
| 531 | W | 83.7 | Confident | 76.5 | Confident | 52 Ų | 52 | 47.7 Ų | 47.7 | 20% | 0.197 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.5 | 173.6 | -70.8 | 84.6 | 0 | 0 | 0 | 110.3 | C521 N522 K566 E666 C667 T668 | C521-W531 WeakPolarHBondContact CA-O 3.39Å; N522-W531 HydrophobicContact CB-CB 4.31Å; N522-W531 PolarHBondContact N-O 3.21Å; N522-W531 PolarHBondContact O-N 3.48Å; W531-K566 HydrophobicContact CH2-CD 4.22Å; W531-K566 HydrophobicContact CZ3-CD 4.08Å; W531-K566 HydrophobicContact CZ3-CG 4.28Å; W531-E666 HydrophobicContact CE3-CB 4.17Å; W531-E666 HydrophobicContact CZ3-CB 4.37Å; W531-C667 CarbonylContact C-O 3.6Å; W531-C667 WeakPolarHBondContact CA-O 3.26Å; W531-T668 HydrophobicContact CD2-CG2 4.19Å; W531-T668 HydrophobicContact CE3-CG2 4.01Å; W531-T668 HydrophobicContact CH2-CG2 3.59Å; W531-T668 HydrophobicContact CZ2-CG2 3.78Å; W531-T668 HydrophobicContact CZ3-CG2 3.7Å |
| 532 | T | 84.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 109.9 | 174.1 | -51.7 | 0 | 0 | 0 | 0 | 108.5 | C490 I506 V519 V534 Y560 C667 | C490-T532 VanDerWaalsContact CB-OG1 3.29Å; C490-T532 WeakPolarHBondContact CB-OG1 3.32Å; C490-T532 PolarHBondContact N-OG1 3.41Å; C490-T532 VanDerWaalsContact SG-CA 3.58Å; C490-T532 PolarHBondContact SG-OG1 2.94Å; C490-T532 VanDerWaalsContact SG-OG1 3.32Å; I506-T532 HydrophobicContact CD1-CG2 3.96Å; V519-T532 HydrophobicContact CB-CG2 3.94Å; V519-T532 HydrophobicContact CG1-CG2 3.89Å; V519-T532 HydrophobicContact CG2-CG2 3.99Å; T532-V534 HydrophobicContact CG2-CG2 4.39Å; T532-Y560 HydrophobicContact CG2-CD1 4.28Å; T532-Y560 HydrophobicContact CG2-CE1 4.39Å; T532-C667 PolarHBondContact N-O 2.84Å; T532-C667 WeakPolarHBondContact O-CB 3.19Å; T532-C667 PolarHBondContact O-N 2.98Å |
| 533 | T | 82 | Confident | 76.7 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.9 | -178.5 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | V520 P664 E666 | V520-T533 PolarHBondContact N-O 3.37Å; V520-T533 PolarHBondContact O-N 2.92Å; T533-P664 HydrophobicContact CG2-CB 3.68Å; T533-P664 HydrophobicContact CG2-CG 3.83Å; T533-E666 HydrophobicContact CG2-CG 4.08Å |
| 534 | V | 78.7 | Confident | 77 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124 | -171.5 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | V519 T532 Y560 L665 | V519-V534 HydrophobicContact CG1-CG2 4.08Å; T532-V534 HydrophobicContact CG2-CG2 4.39Å; V534-Y560 HydrophobicContact CG2-CD1 4.16Å; V534-L665 HydrophobicContact CB-CB 4.28Å; V534-L665 PolarHBondContact N-O 2.87Å; V534-L665 PolarHBondContact O-N 2.96Å |
| 535 | S | 76.4 | Confident | 77.4 | Confident | 32 Ų | 32 | 44.6 Ų | 44.6 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | trans | -77.1 | 162.2 | 175.7 | 58.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 536 | H | 80.7 | Confident | 77.9 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 12% | 0.116 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -135.2 | 167.7 | 177.3 | 56.5 | 54.6 | 0 | 0 | 0 | 112.2 | F538 I556 E557 Y558 L662 G663 | H536-F538 PolarHBondContact CE1-O 3.31Å; H536-F538 PolarHBondContact ND1-N 2.99Å; H536-F538 PolarHBondContact ND1-O 3.27Å; H536-I556 HydrophobicContact CB-CG2 4.16Å; H536-E557 VanDerWaalsContact CA-O 3.29Å; H536-E557 WeakPolarHBondContact CA-O 2.93Å; H536-Y558 HydrophobicContact CB-CD1 3.8Å; H536-Y558 HydrophobicContact CB-CE1 3.87Å; H536-Y558 AromaticContact CD2-CE1 3.9Å; H536-L662 PolarHBondContact CE1-O 2.87Å; H536-L662 PolarHBondContact NE2-O 3.46Å; H536-G663 PolarHBondContact NE2-O 3.21Å; H536-G663 VanDerWaalsContact NE2-O 3.13Å |
| 537 | N | 77.1 | Confident | 78.6 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -73.5 | -19.5 | 178.3 | 70.7 | -21.4 | 0 | 0 | 0 | 115.8 | P539 L555 I556 E557 W1336 L1340 | N537-P539 VanDerWaalsContact O-CD 3.26Å; N537-P539 WeakPolarHBondContact O-CD 3.37Å; N537-L555 PolarHBondContact ND2-O 3.17Å; N537-I556 VanDerWaalsContact OD1-CA 3.31Å; N537-I556 WeakPolarHBondContact OD1-CA 3.48Å; N537-E557 PolarHBondContact N-O 2.85Å; N537-E557 PolarHBondContact OD1-N 3.5Å; N537-E557 VanDerWaalsContact OD1-N 3.09Å; N537-W1336 HydrophobicContact CB-CD2 4.4Å; N537-W1336 HydrophobicContact CB-CE3 3.64Å; N537-W1336 HydrophobicContact CB-CH2 3.56Å; N537-W1336 HydrophobicContact CB-CZ2 4.27Å; N537-W1336 HydrophobicContact CB-CZ3 3.18Å; N537-L1340 WeakPolarHBondContact ND2-CD1 3.45Å |
| 538 | F | 82.2 | Confident | 79.2 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 2% | 0.022 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 118.4 | -172.6 | -167.3 | -95.6 | 0 | 0 | 0 | 112 | H536 T542 F554 I556 M646 V660 L662 L1340 | H536-F538 PolarHBondContact CE1-O 3.31Å; H536-F538 PolarHBondContact ND1-N 2.99Å; H536-F538 PolarHBondContact ND1-O 3.27Å; F538-T542 HydrophobicContact CE2-CG2 4.09Å; F538-T542 HydrophobicContact CZ-CG2 3.82Å; F538-F554 HydrophobicContact CD2-CB 4.43Å; F538-F554 HydrophobicContact CE2-CB 4.16Å; F538-F554 HydrophobicContact CE2-CD1 4.32Å; F538-F554 HydrophobicContact CE2-CD2 4.41Å; F538-F554 HydrophobicContact CE2-CG 4.05Å; F538-I556 HydrophobicContact CB-CD1 4.11Å; F538-I556 HydrophobicContact CB-CG1 4.36Å; F538-I556 HydrophobicContact CB-CG2 4.49Å; F538-I556 HydrophobicContact CD2-CD1 3.82Å; F538-I556 HydrophobicContact CD2-CG1 4.16Å; F538-I556 HydrophobicContact CG-CD1 4.07Å; F538-M646 HydrophobicContact CZ-SD 4.5Å; F538-V660 HydrophobicContact CE1-CB 4.29Å; F538-V660 HydrophobicContact CE1-CG1 4.03Å; F538-V660 HydrophobicContact CZ-CB 4.27Å; F538-V660 HydrophobicContact CZ-CG1 4.23Å; F538-L662 HydrophobicContact CB-CB 4.43Å; F538-L662 HydrophobicContact CB-CD2 4.19Å; F538-L662 HydrophobicContact CD1-CB 3.67Å; F538-L662 HydrophobicContact CE1-CB 4.37Å; F538-L662 HydrophobicContact CG-CB 4.36Å; F538-L662 HydrophobicContact CG-CD2 4.49Å; F538-L1340 HydrophobicContact CD2-CD1 4.23Å; F538-L1340 HydrophobicContact CD2-CD2 4.14Å; F538-L1340 HydrophobicContact CE2-CD2 4.44Å |
| 539 | P | 79.4 | Confident | 79.8 | Confident | 63 Ų | 63 | 41.1 Ų | 41.1 | 41% | 0.409 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -68 | 150.9 | -178.8 | -20.2 | 32.9 | 0 | 0 | 0 | 113.3 | N537 T542 | N537-P539 VanDerWaalsContact O-CD 3.26Å; N537-P539 WeakPolarHBondContact O-CD 3.37Å; P539-T542 WeakPolarHBondContact CD-OG1 3.23Å; P539-T542 PolarHBondContact O-OG1 2.97Å |
| 540 | S | 78.3 | Confident | 80 | Confident | 97 Ų | 97 | 47.7 Ų | 47.7 | 68% | 0.678 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 144.9 | 170.1 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | T542 | S540-T542 VanDerWaalsContact C-N 3.28Å; S540-T542 PolarHBondContact O-N 3.29Å |
| 541 | S | 83.5 | Confident | 80.2 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 47% | 0.469 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.9 | -174.1 | -137.3 | 0 | 0 | 0 | 0 | 113.9 | Q543 D659 V660 T661 | S541-Q543 PolarHBondContact O-N 3.24Å; S541-D659 PolarHBondContact OG-OD2 2.93Å; S541-V660 PolarHBondContact N-O 3.48Å; S541-T661 PolarHBondContact N-OG1 2.75Å |
| 542 | T | 84.6 | Confident | 80.1 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 119 | 174.1 | -66.2 | 0 | 0 | 0 | 0 | 109.3 | F538 P539 S540 V544 F554 D659 V660 | F538-T542 HydrophobicContact CE2-CG2 4.09Å; F538-T542 HydrophobicContact CZ-CG2 3.82Å; P539-T542 WeakPolarHBondContact CD-OG1 3.23Å; P539-T542 PolarHBondContact O-OG1 2.97Å; S540-T542 VanDerWaalsContact C-N 3.28Å; S540-T542 PolarHBondContact O-N 3.29Å; T542-V544 HydrophobicContact CG2-CG1 4.28Å; T542-V544 PolarHBondContact O-N 2.94Å; T542-F554 HydrophobicContact CG2-CE1 4.14Å; T542-F554 HydrophobicContact CG2-CZ 4.12Å; T542-D659 WeakPolarHBondContact O-CA 3.3Å; T542-V660 PolarHBondContact N-O 3.15Å; T542-V660 PolarHBondContact O-N 2.87Å |
| 543 | Q | 85.3 | Confident | 80 | Confident | 89 Ų | 89 | 47.9 Ų | 47.9 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 114.2 | 174.6 | -175.6 | 170.2 | 104.2 | 0 | 0 | 110.6 | S541 S546 D659 | S541-Q543 PolarHBondContact O-N 3.24Å; Q543-S546 PolarHBondContact OE1-OG 3.01Å; Q543-D659 WeakPolarHBondContact CA-OD1 3.4Å; Q543-D659 WeakPolarHBondContact CB-OD1 2.88Å |
| 544 | V | 85.2 | Confident | 80.1 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -19.7 | -177.6 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | T542 F554 F578 F648 A658 V660 | T542-V544 HydrophobicContact CG2-CG1 4.28Å; T542-V544 PolarHBondContact O-N 2.94Å; V544-F554 HydrophobicContact CB-CE2 4.42Å; V544-F554 HydrophobicContact CG1-CE2 3.88Å; V544-F554 HydrophobicContact CG1-CZ 4.37Å; V544-F578 HydrophobicContact CG2-CE2 4.22Å; V544-F648 HydrophobicContact CB-CB 4.42Å; V544-F648 HydrophobicContact CB-CD1 3.93Å; V544-F648 HydrophobicContact CB-CD2 3.87Å; V544-F648 HydrophobicContact CB-CE1 4.1Å; V544-F648 HydrophobicContact CB-CE2 4.04Å; V544-F648 HydrophobicContact CB-CG 3.8Å; V544-F648 HydrophobicContact CB-CZ 4.15Å; V544-F648 HydrophobicContact CG1-CD1 4.45Å; V544-F648 HydrophobicContact CG1-CD2 3.91Å; V544-F648 HydrophobicContact CG1-CE1 4.19Å; V544-F648 HydrophobicContact CG1-CE2 3.61Å; V544-F648 HydrophobicContact CG1-CG 4.32Å; V544-F648 HydrophobicContact CG1-CZ 3.76Å; V544-F648 HydrophobicContact CG2-CD1 3.79Å; V544-F648 HydrophobicContact CG2-CE1 3.83Å; V544-F648 HydrophobicContact CG2-CG 4.19Å; V544-F648 HydrophobicContact CG2-CZ 4.26Å; V544-A658 HydrophobicContact CG2-CB 4.18Å; V544-A658 WeakPolarHBondContact CG2-O 3.5Å; V544-A658 PolarHBondContact N-O 2.91Å; V544-V660 HydrophobicContact CB-CG2 4.42Å; V544-V660 HydrophobicContact CG1-CB 4.12Å; V544-V660 HydrophobicContact CG1-CG2 3.92Å; V544-V660 HydrophobicContact CG2-CG2 3.59Å |
| 545 | R | 83.3 | Confident | 80 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.4 | 172 | -60.2 | 171.4 | 178.3 | -80.1 | -14.3 | 109.9 | T549 T577 F578 S583 T584 M649 W657 A658 | R545-T549 WeakPolarHBondContact CA-OG1 3.26Å; R545-T577 WeakPolarHBondContact CD-O 3.39Å; R545-F578 PolarHBondContact NH2-O 3.39Å; R545-S583 PolarHBondContact NH2-O 2.96Å; R545-S583 VanDerWaalsContact NH2-O 3.12Å; R545-T584 PolarHBondContact NH2-OG1 3.03Å; R545-M649 VanDerWaalsContact CZ-O 3.24Å; R545-M649 PolarHBondContact NH1-O 3.15Å; R545-M649 PolarHBondContact NH2-O 3.28Å; R545-W657 CarbonylContact O-C 3.5Å; R545-W657 WeakPolarHBondContact O-CA 3.37Å; R545-A658 HydrophobicContact CB-CB 3.77Å; R545-A658 HydrophobicContact CG-CB 4.13Å; R545-A658 PolarHBondContact N-O 2.9Å; R545-A658 PolarHBondContact O-N 2.86Å |
| 546 | S | 78.6 | Confident | 80.1 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -169.9 | 174.9 | 163.3 | 71.6 | 0 | 0 | 0 | 0 | 109.7 | Q543 S548 T549 G656 | Q543-S546 PolarHBondContact OE1-OG 3.01Å; S546-S548 PolarHBondContact O-N 3.14Å; S546-S548 PolarHBondContact OG-OG 3Å; S546-T549 PolarHBondContact N-OG1 3.28Å; S546-T549 PolarHBondContact O-N 2.99Å; S546-T549 PolarHBondContact O-OG1 2.85Å; S546-G656 WeakPolarHBondContact CA-O 3.39Å |
| 547 | Y | 73 | Confident | 79.6 | Confident | 143 Ų | 143 | 52.5 Ų | 52.5 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | -31.9 | 177.3 | 178 | -94.3 | 0 | 0 | 0 | 115.3 | K653 | Y547-K653 HydrophobicContact CD2-CB 4.08Å; Y547-K653 HydrophobicContact CD2-CD 4.41Å; Y547-K653 HydrophobicContact CD2-CG 4.33Å; Y547-K653 HydrophobicContact CE2-CB 4.11Å; Y547-K653 HydrophobicContact CE2-CD 3.72Å; Y547-K653 HydrophobicContact CE2-CG 4.14Å; Y547-K653 PolarHBondContact OH-NZ 2.93Å; Y547-K653 VanDerWaalsContact OH-NZ 3.09Å |
| 548 | S | 73.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 64% | 0.643 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -12.5 | -176.6 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | S546 | S546-S548 PolarHBondContact O-N 3.14Å; S546-S548 PolarHBondContact OG-OG 3Å |
| 549 | T | 75 | Confident | 78.3 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | trans | -68.7 | 157.8 | -177.8 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | R545 S546 | R545-T549 WeakPolarHBondContact CA-OG1 3.26Å; S546-T549 PolarHBondContact N-OG1 3.28Å; S546-T549 PolarHBondContact O-N 2.99Å; S546-T549 PolarHBondContact O-OG1 2.85Å | ||
| 550 | R | 77.1 | Confident | 77.2 | Confident | 176 Ų | 176 | 58.5 Ų | 58.5 | 66% | 0.664 | 30% | 0.296 | S | S | * | . | trans | -126.7 | 160.7 | 175.6 | -60.1 | -175.8 | -172.9 | 179.9 | 2.4 | 109.9 | T552 | R550-T552 WeakPolarHBondContact O-CB 3.47Å; R550-T552 PolarHBondContact O-N 2.03Å; R550-T552 PolarHBondContact O-OG1 2.84Å | ||
| 551 | D | 82.3 | Confident | 75.8 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -50.4 | 111 | 172.2 | -62.8 | -3 | 0 | 0 | 0 | 110 | F648 M649 G650 H1345 R1347 | D551-F648 WeakPolarHBondContact CA-O 3.49Å; D551-M649 HydrophobicContact CB-CG 4.41Å; D551-M649 WeakPolarHBondContact OD1-CA 3.4Å; D551-G650 PolarHBondContact OD1-N 3.45Å; D551-H1345 HydrophobicContact CB-CB 3.93Å; D551-H1345 PolarHBondContact O-N 2.77Å; D551-R1347 IonicContact OD1-NH2 2.73Å; D551-R1347 IonicContact OD2-CZ 3.2Å; D551-R1347 IonicContact OD2-NE 2.69Å; D551-R1347 IonicContact OD2-NH2 2.84Å; D551-R1347 PolarHBondContact OD2-NH2 3.31Å |
| 552 | T | 81.3 | Confident | 74.1 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138 | -168.2 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | R550 F554 F648 T1342 V1343 | R550-T552 WeakPolarHBondContact O-CB 3.47Å; R550-T552 PolarHBondContact O-N 2.03Å; R550-T552 PolarHBondContact O-OG1 2.84Å; T552-F554 HydrophobicContact CG2-CD2 4.38Å; T552-F554 HydrophobicContact CG2-CE1 4.46Å; T552-F554 HydrophobicContact CG2-CE2 4.14Å; T552-F554 HydrophobicContact CG2-CZ 4.2Å; T552-F648 PolarHBondContact N-O 3.36Å; T552-F648 PolarHBondContact O-N 2.74Å; T552-T1342 HydrophobicContact CG2-CG2 4.15Å; T552-V1343 CarbonylContact C-O 3.6Å; T552-V1343 WeakPolarHBondContact CA-O 3.3Å |
| 553 | T | 82.7 | Confident | 72.2 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.8 | 164.7 | -59.4 | 0 | 0 | 0 | 0 | 109.2 | L555 A645 M646 T647 V1343 H1345 | T553-L555 HydrophobicContact CG2-CD2 4.29Å; T553-A645 HydrophobicContact CG2-CB 4.11Å; T553-M646 WeakPolarHBondContact CA-O 3.31Å; T553-T647 WeakPolarHBondContact CG2-OG1 3.37Å; T553-T647 WeakPolarHBondContact OG1-CG2 3.48Å; T553-T647 PolarHBondContact OG1-OG1 3Å; T553-V1343 PolarHBondContact N-O 3.32Å; T553-V1343 PolarHBondContact O-N 2.72Å; T553-H1345 PolarHBondContact OG1-NE2 2.04Å |
| 554 | F | 83.6 | Confident | 70.5 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.9 | 169.8 | -62.3 | -87.2 | 0 | 0 | 0 | 109.1 | F538 T542 V544 T552 A645 M646 F648 L1340 T1342 | F538-F554 HydrophobicContact CD2-CB 4.43Å; F538-F554 HydrophobicContact CE2-CB 4.16Å; F538-F554 HydrophobicContact CE2-CD1 4.32Å; F538-F554 HydrophobicContact CE2-CD2 4.41Å; F538-F554 HydrophobicContact CE2-CG 4.05Å; T542-F554 HydrophobicContact CG2-CE1 4.14Å; T542-F554 HydrophobicContact CG2-CZ 4.12Å; V544-F554 HydrophobicContact CB-CE2 4.42Å; V544-F554 HydrophobicContact CG1-CE2 3.88Å; V544-F554 HydrophobicContact CG1-CZ 4.37Å; T552-F554 HydrophobicContact CG2-CD2 4.38Å; T552-F554 HydrophobicContact CG2-CE1 4.46Å; T552-F554 HydrophobicContact CG2-CE2 4.14Å; T552-F554 HydrophobicContact CG2-CZ 4.2Å; F554-A645 VanDerWaalsContact O-CA 3.26Å; F554-A645 WeakPolarHBondContact O-CA 3.3Å; F554-M646 PolarHBondContact N-O 3.37Å; F554-M646 PolarHBondContact O-N 2.75Å; F554-F648 AromaticContact CD2-CD2 3.67Å; F554-F648 HydrophobicContact CD2-CD2 3.67Å; F554-F648 AromaticContact CD2-CE2 3.64Å; F554-F648 HydrophobicContact CD2-CE2 3.64Å; F554-F648 AromaticContact CE2-CD2 3.69Å; F554-F648 HydrophobicContact CE2-CD2 3.69Å; F554-F648 AromaticContact CE2-CE2 3.92Å; F554-F648 HydrophobicContact CE2-CE2 3.92Å; F554-L1340 HydrophobicContact CD1-CD2 3.41Å; F554-L1340 VanDerWaalsContact CD1-CD2 3.41Å; F554-L1340 HydrophobicContact CD1-CG 3.97Å; F554-L1340 HydrophobicContact CE1-CD2 3.9Å; F554-L1340 HydrophobicContact CG-CD2 4.41Å; F554-T1342 HydrophobicContact CD1-CG2 3.6Å; F554-T1342 HydrophobicContact CE1-CG2 3.64Å |
| 555 | L | 76.9 | Confident | 69.5 | Low | 48 Ų | 48 | 59 Ų | 59 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.9 | 173.9 | -62.4 | 179.7 | 0 | 0 | 0 | 109.5 | N537 T553 A645 L1340 E1341 V1343 | N537-L555 PolarHBondContact ND2-O 3.17Å; T553-L555 HydrophobicContact CG2-CD2 4.29Å; L555-A645 HydrophobicContact CD2-CB 4.14Å; L555-L1340 WeakPolarHBondContact O-CD1 3.46Å; L555-E1341 HydrophobicContact CB-CB 4.29Å; L555-E1341 HydrophobicContact CD1-CB 4.21Å; L555-E1341 PolarHBondContact N-O 3.27Å; L555-E1341 VanDerWaalsContact N-O 3.09Å; L555-V1343 HydrophobicContact CD1-CG2 4.19Å; L555-V1343 HydrophobicContact CG-CG2 4.48Å |
| 556 | I | 79 | Confident | 68.8 | Low | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | trans | -112.1 | 122.7 | -171.2 | -57.8 | -175.1 | 0 | 0 | 0 | 109.5 | H536 N537 F538 Y558 I643 V644 M646 L662 | H536-I556 HydrophobicContact CB-CG2 4.16Å; N537-I556 VanDerWaalsContact OD1-CA 3.31Å; N537-I556 WeakPolarHBondContact OD1-CA 3.48Å; F538-I556 HydrophobicContact CB-CD1 4.11Å; F538-I556 HydrophobicContact CB-CG1 4.36Å; F538-I556 HydrophobicContact CB-CG2 4.49Å; F538-I556 HydrophobicContact CD2-CD1 3.82Å; F538-I556 HydrophobicContact CD2-CG1 4.16Å; F538-I556 HydrophobicContact CG-CD1 4.07Å; I556-Y558 HydrophobicContact CG2-CE2 4.12Å; I556-I643 VanDerWaalsContact CB-O 3.26Å; I556-I643 WeakPolarHBondContact CB-O 3.4Å; I556-I643 HydrophobicContact CD1-CG2 4.42Å; I556-I643 VanDerWaalsContact CG2-O 3.28Å; I556-I643 WeakPolarHBondContact CG2-O 3.34Å; I556-V644 PolarHBondContact N-O 3.41Å; I556-V644 VanDerWaalsContact O-CA 3.32Å; I556-V644 WeakPolarHBondContact O-CA 3.15Å; I556-M646 HydrophobicContact CD1-CB 4.47Å; I556-M646 HydrophobicContact CD1-CG 3.64Å; I556-M646 HydrophobicContact CD1-SD 3.48Å; I556-M646 WeakPolarHBondContact CD1-SD 3.18Å; I556-L662 HydrophobicContact CD1-CD2 3.77Å; I556-L662 HydrophobicContact CG2-CD2 4.19Å | ||
| 557 | E | 69.7 | Low | 68.7 | Low | 112 Ų | 112 | 59.8 Ų | 59.8 | 52% | 0.523 | 28% | 0.277 | S | S | . | . | trans | -108.9 | 121.2 | -179.9 | -60.5 | -158.8 | 146.9 | 0 | 0 | 110.2 | H536 N537 W1336 | H536-E557 VanDerWaalsContact CA-O 3.29Å; H536-E557 WeakPolarHBondContact CA-O 2.93Å; N537-E557 PolarHBondContact N-O 2.85Å; N537-E557 PolarHBondContact OD1-N 3.5Å; N537-E557 VanDerWaalsContact OD1-N 3.09Å; E557-W1336 HydrophobicContact CB-CH2 4.26Å | ||
| 558 | Y | 68.5 | Low | 68.6 | Low | 33 Ų | 33 | 53.6 Ų | 53.6 | 13% | 0.129 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -102 | 151.1 | 162.6 | -51 | -90.4 | 0 | 0 | 0 | 108.3 | H536 I556 L567 I643 V644 L665 | H536-Y558 HydrophobicContact CB-CD1 3.8Å; H536-Y558 HydrophobicContact CB-CE1 3.87Å; H536-Y558 AromaticContact CD2-CE1 3.9Å; I556-Y558 HydrophobicContact CG2-CE2 4.12Å; Y558-L567 HydrophobicContact CE1-CD1 3.92Å; Y558-L567 WeakPolarHBondContact OH-CD2 3.43Å; Y558-I643 WeakPolarHBondContact CE2-O 3.37Å; Y558-I643 PolarHBondContact OH-N 3.25Å; Y558-I643 PolarHBondContact OH-O 2.85Å; Y558-I643 VanDerWaalsContact OH-O 3.07Å; Y558-V644 HydrophobicContact CD2-CG1 4.36Å; Y558-V644 HydrophobicContact CE2-CG1 4.37Å; Y558-L665 HydrophobicContact CD1-CB 3.78Å; Y558-L665 HydrophobicContact CD1-CD2 3.97Å; Y558-L665 HydrophobicContact CE1-CB 3.76Å; Y558-L665 HydrophobicContact CE1-CD2 4.27Å; Y558-L665 HydrophobicContact CG-CD2 4.19Å |
| 559 | K | 63.6 | Low | 68.9 | Low | 141 Ų | 141 | 49.4 Ų | 49.4 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -86.3 | 4.8 | 169.4 | -66.6 | -168.7 | 169 | -172.4 | 0 | 114.5 | V517 | V517-K559 HydrophobicContact CB-CB 4.04Å; V517-K559 HydrophobicContact CG2-CB 3.28Å; V517-K559 HydrophobicContact CG2-CD 4.31Å; V517-K559 HydrophobicContact CG2-CG 4.41Å |
| 560 | Y | 55.6 | Low | 69.2 | Low | 37 Ų | 37 | 48.1 Ų | 48.1 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | trans | -163.6 | 174.9 | 174.8 | -171.4 | -144.1 | 0 | 0 | 0 | 116.4 | K488 N489 I506 P508 T532 V534 V562 | K488-Y560 PolarHBondContact O-OH 3.25Å; N489-Y560 HydrophobicContact CB-CE1 4.39Å; I506-Y560 HydrophobicContact CD1-CD1 3.87Å; I506-Y560 HydrophobicContact CD1-CE1 3.97Å; P508-Y560 HydrophobicContact CB-CD1 4.13Å; P508-Y560 HydrophobicContact CB-CD2 3.1Å; P508-Y560 HydrophobicContact CB-CE1 3.9Å; P508-Y560 HydrophobicContact CB-CE2 2.97Å; P508-Y560 HydrophobicContact CB-CG 3.78Å; P508-Y560 HydrophobicContact CG-CD1 4.24Å; P508-Y560 HydrophobicContact CG-CD2 3.49Å; P508-Y560 VanDerWaalsContact CG-CD2 3.49Å; P508-Y560 HydrophobicContact CG-CE1 4.44Å; P508-Y560 HydrophobicContact CG-CE2 3.9Å; P508-Y560 HydrophobicContact CG-CG 3.77Å; T532-Y560 HydrophobicContact CG2-CD1 4.28Å; T532-Y560 HydrophobicContact CG2-CE1 4.39Å; V534-Y560 HydrophobicContact CG2-CD1 4.16Å; Y560-V562 HydrophobicContact CD1-CG2 3.7Å; Y560-V562 HydrophobicContact CE1-CG2 3.08Å; Y560-V562 HydrophobicContact CE2-CG2 4.29Å; Y560-V562 VanDerWaalsContact CZ-CG2 3.41Å | ||
| 561 | N | 50.2 | Low | 69.4 | Low | 79 Ų | 79 | 39.8 Ų | 39.8 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | trans | -160.5 | 110 | -163.6 | -170.2 | 5.1 | 0 | 0 | 0 | 112.8 | K565 | N561-K565 WeakPolarHBondContact OD1-CE 3.46Å; N561-K565 PolarHBondContact OD1-NZ 3.04Å | ||
| 562 | V | 47.8 | Very low | 69.2 | Low | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -119.7 | 177 | -173.6 | -171 | 0 | 0 | 0 | 0 | 114.5 | Y560 K565 C667 | Y560-V562 HydrophobicContact CD1-CG2 3.7Å; Y560-V562 HydrophobicContact CE1-CG2 3.08Å; Y560-V562 HydrophobicContact CE2-CG2 4.29Å; Y560-V562 VanDerWaalsContact CZ-CG2 3.41Å; V562-K565 WeakPolarHBondContact O-CE 3.2Å; V562-K565 WeakPolarHBondContact O-CG 3.23Å; V562-K565 PolarHBondContact O-NZ 2.88Å; V562-C667 HydrophobicContact CB-CB 3.44Å; V562-C667 VanDerWaalsContact CB-CB 3.44Å; V562-C667 VanDerWaalsContact CB-SG 3.59Å; V562-C667 HydrophobicContact CG1-CB 3.85Å; V562-C667 HydrophobicContact CG2-CB 3.36Å; V562-C667 VanDerWaalsContact CG2-SG 3.55Å | ||
| 563 | K | 45.3 | Very low | 69.1 | Low | 86 Ų | 86 | 39.8 Ų | 39.8 | 37% | 0.374 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -63.6 | -77.4 | 174.9 | -71.9 | -169.2 | -175.7 | 174.7 | 0 | 114.8 | P670 S672 | K563-P670 WeakPolarHBondContact CD-O 3.09Å; K563-P670 WeakPolarHBondContact CE-O 3.32Å; K563-P670 PolarHBondContact NZ-O 2.8Å; K563-S672 WeakPolarHBondContact CE-O 3.39Å; K563-S672 WeakPolarHBondContact CE-OG 3.33Å; K563-S672 PolarHBondContact NZ-OG 2.67Å |
| 564 | R | 48.1 | Very low | 68.9 | Low | 105 Ų | 105 | 40.7 Ų | 40.7 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.4 | 175.5 | -68.1 | -175.5 | 177.9 | -150 | 1.7 | 107.1 | C667 T668 L685 | R564-C667 VanDerWaalsContact O-CA 3.23Å; R564-C667 WeakPolarHBondContact O-CA 3.42Å; R564-T668 HydrophobicContact CB-CG2 4.15Å; R564-T668 WeakPolarHBondContact CB-O 3.36Å; R564-T668 PolarHBondContact O-N 3.28Å; R564-L685 VanDerWaalsContact NH2-CD1 3.31Å |
| 565 | K | 64 | Low | 68.2 | Low | 13 Ų | 13 | 43.2 Ų | 43.2 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.6 | -177 | -62.3 | 177.5 | 173.4 | 96.1 | 0 | 108.7 | N561 V562 Y637 N638 S641 L665 E666 | N561-K565 WeakPolarHBondContact OD1-CE 3.46Å; N561-K565 PolarHBondContact OD1-NZ 3.04Å; V562-K565 WeakPolarHBondContact O-CE 3.2Å; V562-K565 WeakPolarHBondContact O-CG 3.23Å; V562-K565 PolarHBondContact O-NZ 2.88Å; K565-Y637 VanDerWaalsContact O-CA 3.29Å; K565-Y637 WeakPolarHBondContact O-CA 3.32Å; K565-N638 PolarHBondContact O-N 3.21Å; K565-S641 WeakPolarHBondContact CB-OG 3.3Å; K565-S641 VanDerWaalsContact CD-OG 3.24Å; K565-S641 WeakPolarHBondContact CD-OG 3.48Å; K565-L665 HydrophobicContact CB-CD1 3.94Å; K565-L665 HydrophobicContact CD-CD1 4.06Å; K565-L665 HydrophobicContact CG-CD1 4.16Å; K565-E666 CarbonylContact C-O 3.58Å; K565-E666 VanDerWaalsContact CA-O 3.32Å; K565-E666 WeakPolarHBondContact CA-O 3.32Å |
| 566 | K | 69.8 | Low | 68.1 | Low | 44 Ų | 44 | 41.4 Ų | 41.4 | 19% | 0.191 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.4 | 160.5 | 62.2 | -174.6 | 167.1 | 108 | 0 | 109 | W531 Y635 N636 Y637 E666 | W531-K566 HydrophobicContact CH2-CD 4.22Å; W531-K566 HydrophobicContact CZ3-CD 4.08Å; W531-K566 HydrophobicContact CZ3-CG 4.28Å; K566-Y635 HydrophobicContact CB-CD1 4.05Å; K566-Y635 HydrophobicContact CD-CD1 4.42Å; K566-Y635 HydrophobicContact CD-CE1 4.48Å; K566-Y635 HydrophobicContact CG-CD1 4.33Å; K566-N636 WeakPolarHBondContact CA-O 3.5Å; K566-Y637 HydrophobicContact CB-CD1 3.86Å; K566-Y637 HydrophobicContact CB-CE1 3.75Å; K566-E666 HydrophobicContact CD-CB 4.48Å; K566-E666 WeakPolarHBondContact CE-OE1 3.37Å; K566-E666 WeakPolarHBondContact CE-OE2 3.46Å; K566-E666 HydrophobicContact CG-CB 3.75Å; K566-E666 PolarHBondContact N-O 2.8Å; K566-E666 IonicContact NZ-OE1 2.67Å; K566-E666 PolarHBondContact NZ-OE1 3.38Å; K566-E666 IonicContact NZ-OE2 3.69Å; K566-E666 PolarHBondContact NZ-OE2 2.91Å; K566-E666 PolarHBondContact O-N 2.91Å |
| 567 | L | 75.7 | Confident | 67.9 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 119.8 | 174.8 | -171.5 | 86.8 | 0 | 0 | 0 | 107.6 | Y558 Y635 N636 S641 I643 L662 G663 L665 | Y558-L567 HydrophobicContact CE1-CD1 3.92Å; Y558-L567 WeakPolarHBondContact OH-CD2 3.43Å; L567-Y635 VanDerWaalsContact O-CA 3.29Å; L567-Y635 WeakPolarHBondContact O-CA 3.5Å; L567-N636 PolarHBondContact N-O 2.79Å; L567-N636 PolarHBondContact O-N 3.45Å; L567-S641 VanDerWaalsContact CB-O 3.28Å; L567-S641 WeakPolarHBondContact CB-O 3.25Å; L567-S641 WeakPolarHBondContact CD2-O 3.44Å; L567-I643 HydrophobicContact CD2-CB 4.13Å; L567-I643 HydrophobicContact CD2-CD1 3.77Å; L567-I643 HydrophobicContact CD2-CG1 3.83Å; L567-L662 HydrophobicContact CD1-CG 4.41Å; L567-L662 HydrophobicContact CD2-CD1 3.43Å; L567-L662 VanDerWaalsContact CD2-CD1 3.43Å; L567-L662 HydrophobicContact CD2-CD2 4.25Å; L567-L662 HydrophobicContact CD2-CG 3.96Å; L567-L662 HydrophobicContact CG-CD1 4.06Å; L567-L662 HydrophobicContact CG-CG 4.33Å; L567-G663 WeakPolarHBondContact CD1-O 3.3Å; L567-L665 HydrophobicContact CB-CD1 4.49Å; L567-L665 HydrophobicContact CD1-CB 3.95Å; L567-L665 HydrophobicContact CD1-CD1 4.28Å |
| 568 | G | 71.6 | Confident | 68.2 | Low | 14 Ų | 14 | 37.5 Ų | 37.5 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 136.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G634 G663 | G568-G634 WeakPolarHBondContact CA-O 3.16Å; G568-G663 PolarHBondContact O-N 3.45Å |
| 569 | I | 79.1 | Confident | 68.3 | Low | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.9 | 169.6 | -52.6 | -173.4 | 0 | 0 | 0 | 107.7 | V571 F586 I598 T633 G634 N636 I643 L662 | I569-V571 HydrophobicContact CG2-CG2 4.16Å; I569-F586 HydrophobicContact CD1-CD2 4.23Å; I569-F586 HydrophobicContact CD1-CE2 3.84Å; I569-I598 HydrophobicContact CB-CD1 4.41Å; I569-I598 HydrophobicContact CB-CG1 4.32Å; I569-I598 HydrophobicContact CB-CG2 4.5Å; I569-I598 HydrophobicContact CG2-CD1 4.01Å; I569-I598 HydrophobicContact CG2-CG1 4.25Å; I569-T633 WeakPolarHBondContact O-CA 3.48Å; I569-G634 PolarHBondContact N-O 3.33Å; I569-G634 PolarHBondContact O-N 2.74Å; I569-N636 WeakPolarHBondContact CD1-OD1 3.34Å; I569-I643 HydrophobicContact CD1-CD1 3.63Å; I569-L662 HydrophobicContact CD1-CD1 4.36Å; I569-L662 HydrophobicContact CG1-CD1 3.85Å |
| 570 | S | 81.7 | Confident | 68.6 | Low | 27 Ų | 27 | 30.4 Ų | 30.4 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.1 | 167 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | Q631 D632 V660 T661 | S570-Q631 PolarHBondContact OG-NE2 3.29Å; S570-D632 WeakPolarHBondContact CA-O 3.43Å; S570-V660 WeakPolarHBondContact O-CA 3.44Å; S570-T661 PolarHBondContact N-O 3.08Å; S570-T661 PolarHBondContact O-N 3.26Å |
| 571 | V | 80.5 | Confident | 68.9 | Low | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136 | 173.4 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | I569 T573 F578 I598 C622 Q631 D632 V660 | I569-V571 HydrophobicContact CG2-CG2 4.16Å; V571-T573 HydrophobicContact CG1-CG2 4.37Å; V571-F578 HydrophobicContact CB-CE2 4.39Å; V571-F578 HydrophobicContact CB-CZ 4.4Å; V571-F578 HydrophobicContact CG1-CB 4.46Å; V571-F578 HydrophobicContact CG1-CD1 4.25Å; V571-F578 HydrophobicContact CG1-CD2 3.38Å; V571-F578 HydrophobicContact CG1-CE1 4.27Å; V571-F578 HydrophobicContact CG1-CE2 3.4Å; V571-F578 VanDerWaalsContact CG1-CE2 3.4Å; V571-F578 HydrophobicContact CG1-CG 3.8Å; V571-F578 HydrophobicContact CG1-CZ 3.84Å; V571-F578 HydrophobicContact CG2-CE1 3.9Å; V571-F578 HydrophobicContact CG2-CE2 4.03Å; V571-F578 HydrophobicContact CG2-CZ 3.59Å; V571-I598 HydrophobicContact CG2-CD1 3.78Å; V571-C622 HydrophobicContact CG1-CB 4.09Å; V571-C622 PolarHBondContact O-SG 3.18Å; V571-Q631 VanDerWaalsContact O-CA 3.27Å; V571-Q631 WeakPolarHBondContact O-CA 3.21Å; V571-Q631 WeakPolarHBondContact O-CG 3.49Å; V571-D632 PolarHBondContact N-O 2.89Å; V571-D632 PolarHBondContact O-N 2.92Å; V571-V660 HydrophobicContact CG2-CG2 4.34Å |
| 572 | N | 79.4 | Confident | 69.8 | Low | 39 Ų | 39 | 36.7 Ų | 36.7 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.2 | 174.3 | -173.3 | 18.4 | 0 | 0 | 0 | 109.2 | T630 W657 A658 D659 | N572-T630 WeakPolarHBondContact CA-O 3.46Å; N572-T630 PolarHBondContact OD1-O 3.32Å; N572-W657 WeakPolarHBondContact ND2-CH2 3.37Å; N572-A658 CarbonylContact O-C 2.94Å; N572-A658 VanDerWaalsContact O-CA 3.3Å; N572-A658 WeakPolarHBondContact O-CA 3.41Å; N572-D659 PolarHBondContact N-O 3.2Å; N572-D659 PolarHBondContact O-N 2.83Å |
| 573 | T | 77.7 | Confident | 71.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.5 | -175.2 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | V571 V576 F578 C622 N629 T630 W657 A658 | V571-T573 HydrophobicContact CG1-CG2 4.37Å; T573-V576 HydrophobicContact CG2-CG1 4.12Å; T573-F578 HydrophobicContact CG2-CB 4.42Å; T573-C622 HydrophobicContact CG2-CB 3.79Å; T573-C622 WeakPolarHBondContact OG1-CA 3.16Å; T573-C622 VanDerWaalsContact OG1-CB 3.23Å; T573-C622 WeakPolarHBondContact OG1-CB 3.1Å; T573-C622 PolarHBondContact OG1-SG 2.82Å; T573-N629 WeakPolarHBondContact O-CA 3.22Å; T573-T630 PolarHBondContact N-O 2.96Å; T573-T630 PolarHBondContact O-N 3.29Å; T573-T630 PolarHBondContact O-OG1 3.33Å; T573-T630 PolarHBondContact OG1-O 2.89Å; T573-T630 PolarHBondContact OG1-OG1 3.03Å; T573-W657 WeakPolarHBondContact CA-O 3.44Å; T573-A658 HydrophobicContact CG2-CB 3.68Å |
| 574 | L | 79.9 | Confident | 73.2 | Confident | 38 Ų | 38 | 32.8 Ų | 32.8 | 20% | 0.199 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 127.3 | 170.1 | -178.8 | 66.3 | 0 | 0 | 0 | 108.7 | V576 P627 G656 W657 | L574-V576 PolarHBondContact O-N 2.83Å; L574-V576 VanDerWaalsContact O-N 3.07Å; L574-P627 VanDerWaalsContact CD1-O 3.31Å; L574-P627 WeakPolarHBondContact CD1-O 3.39Å; L574-G656 CarbonylContact O-C 3.55Å; L574-G656 WeakPolarHBondContact O-CA 3.17Å; L574-W657 HydrophobicContact CB-CZ2 4.17Å; L574-W657 HydrophobicContact CD2-CZ2 4.43Å; L574-W657 PolarHBondContact N-O 2.93Å; L574-W657 PolarHBondContact O-N 3.18Å |
| 575 | L | 69.3 | Low | 75 | Confident | 73 Ų | 73 | 30.7 Ų | 30.7 | 38% | 0.382 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 51.2 | 31.2 | 176.3 | -64.2 | 169.9 | 0 | 0 | 0 | 114.8 | N625 S626 P627 G656 | L575-N625 PolarHBondContact O-OD1 3.02Å; L575-S626 PolarHBondContact N-O 3.22Å; L575-P627 HydrophobicContact CD2-CB 3.94Å; L575-G656 WeakPolarHBondContact O-CA 3.4Å |
| 576 | V | 74.6 | Confident | 76.1 | Confident | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -153.2 | 153.7 | 174.2 | 72.5 | 0 | 0 | 0 | 0 | 110 | T573 L574 N625 T654 W657 A658 | T573-V576 HydrophobicContact CG2-CG1 4.12Å; L574-V576 PolarHBondContact O-N 2.83Å; L574-V576 VanDerWaalsContact O-N 3.07Å; V576-N625 VanDerWaalsContact CA-OD1 3.26Å; V576-N625 WeakPolarHBondContact CA-OD1 3.28Å; V576-N625 PolarHBondContact N-OD1 3.05Å; V576-N625 VanDerWaalsContact N-OD1 3.09Å; V576-T654 HydrophobicContact CG2-CG2 4.4Å; V576-W657 VanDerWaalsContact CG1-C 3.47Å; V576-W657 VanDerWaalsContact CG1-O 3.23Å; V576-W657 WeakPolarHBondContact CG1-O 3.4Å; V576-A658 HydrophobicContact CG1-CB 3.99Å |
| 577 | T | 73.6 | Confident | 76.7 | Confident | 34 Ų | 34 | 31.5 Ų | 31.5 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | trans | -91 | 147.3 | 170.4 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | R545 C622 N625 E651 | R545-T577 WeakPolarHBondContact CD-O 3.39Å; T577-C622 CarbonylContact C-O 3.19Å; T577-N625 HydrophobicContact CG2-CB 3.86Å; T577-E651 PolarHBondContact OG1-OE2 3.26Å | ||
| 578 | F | 75.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -81.8 | -33 | 172 | -163.1 | -114.4 | 0 | 0 | 0 | 112.4 | V544 R545 V571 T573 F580 T584 F586 C622 D623 F648 V660 | V544-F578 HydrophobicContact CG2-CE2 4.22Å; R545-F578 PolarHBondContact NH2-O 3.39Å; V571-F578 HydrophobicContact CB-CE2 4.39Å; V571-F578 HydrophobicContact CB-CZ 4.4Å; V571-F578 HydrophobicContact CG1-CB 4.46Å; V571-F578 HydrophobicContact CG1-CD1 4.25Å; V571-F578 HydrophobicContact CG1-CD2 3.38Å; V571-F578 HydrophobicContact CG1-CE1 4.27Å; V571-F578 HydrophobicContact CG1-CE2 3.4Å; V571-F578 VanDerWaalsContact CG1-CE2 3.4Å; V571-F578 HydrophobicContact CG1-CG 3.8Å; V571-F578 HydrophobicContact CG1-CZ 3.84Å; V571-F578 HydrophobicContact CG2-CE1 3.9Å; V571-F578 HydrophobicContact CG2-CE2 4.03Å; V571-F578 HydrophobicContact CG2-CZ 3.59Å; T573-F578 HydrophobicContact CG2-CB 4.42Å; F578-F580 HydrophobicContact CD1-CD1 4.39Å; F578-F580 AromaticContact CD1-CD2 3.98Å; F578-F580 HydrophobicContact CD1-CD2 3.98Å; F578-F580 HydrophobicContact CD1-CE1 4.09Å; F578-F580 AromaticContact CD1-CE2 3.61Å; F578-F580 HydrophobicContact CD1-CE2 3.61Å; F578-F580 HydrophobicContact CD1-CG 4.36Å; F578-F580 AromaticContact CD1-CZ 3.68Å; F578-F580 HydrophobicContact CD1-CZ 3.68Å; F578-F580 HydrophobicContact CE1-CD1 4.33Å; F578-F580 HydrophobicContact CE1-CD2 4.5Å; F578-F580 AromaticContact CE1-CE1 3.68Å; F578-F580 HydrophobicContact CE1-CE1 3.68Å; F578-F580 AromaticContact CE1-CE2 3.84Å; F578-F580 HydrophobicContact CE1-CE2 3.84Å; F578-F580 AromaticContact CE1-CZ 3.39Å; F578-F580 HydrophobicContact CE1-CZ 3.39Å; F578-T584 HydrophobicContact CD1-CG2 4.2Å; F578-T584 HydrophobicContact CE1-CG2 3.6Å; F578-T584 HydrophobicContact CE2-CG2 4.5Å; F578-T584 HydrophobicContact CZ-CG2 3.81Å; F578-T584 PolarHBondContact O-OG1 3.46Å; F578-F586 HydrophobicContact CE1-CZ 4.26Å; F578-F586 HydrophobicContact CZ-CZ 4.4Å; F578-C622 HydrophobicContact CB-CB 3.94Å; F578-C622 PolarHBondContact N-O 3.02Å; F578-D623 PolarHBondContact N-OD1 3.42Å; F578-F648 HydrophobicContact CE2-CD1 4.25Å; F578-F648 AromaticContact CE2-CE1 3.77Å; F578-F648 HydrophobicContact CE2-CE1 3.77Å; F578-F648 HydrophobicContact CZ-CD1 4.4Å; F578-F648 AromaticContact CZ-CE1 3.64Å; F578-F648 HydrophobicContact CZ-CE1 3.64Å; F578-V660 HydrophobicContact CE2-CG2 3.65Å; F578-V660 HydrophobicContact CZ-CG2 3.9Å | ||
| 579 | S | 71.4 | Confident | 76.5 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | trans | 56.2 | 65.7 | 170.1 | -168.2 | 0 | 0 | 0 | 0 | 113.6 | S583 T584 D623 E651 | S579-S583 PolarHBondContact O-N 2.91Å; S579-S583 VanDerWaalsContact O-N 3.09Å; S579-T584 PolarHBondContact O-N 3.09Å; S579-T584 VanDerWaalsContact O-N 3.11Å; S579-D623 WeakPolarHBondContact CA-OD1 3.44Å; S579-D623 PolarHBondContact N-OD1 3.09Å; S579-E651 WeakPolarHBondContact CB-OE1 3.32Å; S579-E651 PolarHBondContact OG-OE1 3.28Å | ||
| 580 | F | 69.5 | Low | 75.7 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -56.5 | 148.1 | 169.6 | -82.4 | -62.9 | 0 | 0 | 0 | 111.6 | F578 K582 F586 I598 | F578-F580 HydrophobicContact CD1-CD1 4.39Å; F578-F580 AromaticContact CD1-CD2 3.98Å; F578-F580 HydrophobicContact CD1-CD2 3.98Å; F578-F580 HydrophobicContact CD1-CE1 4.09Å; F578-F580 AromaticContact CD1-CE2 3.61Å; F578-F580 HydrophobicContact CD1-CE2 3.61Å; F578-F580 HydrophobicContact CD1-CG 4.36Å; F578-F580 AromaticContact CD1-CZ 3.68Å; F578-F580 HydrophobicContact CD1-CZ 3.68Å; F578-F580 HydrophobicContact CE1-CD1 4.33Å; F578-F580 HydrophobicContact CE1-CD2 4.5Å; F578-F580 AromaticContact CE1-CE1 3.68Å; F578-F580 HydrophobicContact CE1-CE1 3.68Å; F578-F580 AromaticContact CE1-CE2 3.84Å; F578-F580 HydrophobicContact CE1-CE2 3.84Å; F578-F580 AromaticContact CE1-CZ 3.39Å; F578-F580 HydrophobicContact CE1-CZ 3.39Å; F580-K582 PolarHBondContact O-N 2.89Å; F580-F586 AromaticContact CE1-CE2 3.87Å; F580-F586 HydrophobicContact CE1-CE2 3.87Å; F580-F586 AromaticContact CE1-CZ 3.79Å; F580-F586 HydrophobicContact CE1-CZ 3.79Å; F580-F586 HydrophobicContact CZ-CE2 4.33Å; F580-F586 HydrophobicContact CZ-CZ 4.24Å; F580-I598 HydrophobicContact CE2-CD1 4.24Å; F580-I598 HydrophobicContact CE2-CG1 4.39Å; F580-I598 HydrophobicContact CZ-CD1 3.89Å; F580-I598 HydrophobicContact CZ-CG1 3.79Å |
| 581 | S | 62.3 | Low | 74.8 | Confident | 90 Ų | 90 | 37.2 Ų | 37.2 | 63% | 0.629 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -26.4 | 178.6 | 78.3 | 0 | 0 | 0 | 0 | 117.4 | T584 S596 | S581-T584 PolarHBondContact N-O 2.91Å; S581-S596 VanDerWaalsContact N-CB 3.28Å; S581-S596 PolarHBondContact N-OG 2.93Å |
| 582 | K | 69.7 | Low | 73.6 | Confident | 158 Ų | 158 | 43.7 Ų | 43.7 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -51.4 | 171.9 | -66.6 | 179.8 | -179 | 174.4 | 0 | 112.3 | F580 | F580-K582 PolarHBondContact O-N 2.89Š|
| 583 | S | 78.2 | Confident | 72.9 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -8.2 | -162.2 | -61.1 | 0 | 0 | 0 | 0 | 113.4 | R545 S579 M649 E651 | R545-S583 PolarHBondContact NH2-O 2.96Å; R545-S583 VanDerWaalsContact NH2-O 3.12Å; S579-S583 PolarHBondContact O-N 2.91Å; S579-S583 VanDerWaalsContact O-N 3.09Å; S583-M649 WeakPolarHBondContact CB-O 3.37Å; S583-M649 PolarHBondContact O-N 3.07Å; S583-E651 WeakPolarHBondContact CB-OE1 3.2Å; S583-E651 WeakPolarHBondContact OG-CG 3.27Å; S583-E651 PolarHBondContact OG-OE1 2.96Å |
| 584 | T | 84.8 | Confident | 73 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.4 | 176.5 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | R545 F578 S579 S581 F586 S596 T647 F648 | R545-T584 PolarHBondContact NH2-OG1 3.03Å; F578-T584 HydrophobicContact CD1-CG2 4.2Å; F578-T584 HydrophobicContact CE1-CG2 3.6Å; F578-T584 HydrophobicContact CE2-CG2 4.5Å; F578-T584 HydrophobicContact CZ-CG2 3.81Å; F578-T584 PolarHBondContact O-OG1 3.46Å; S579-T584 PolarHBondContact O-N 3.09Å; S579-T584 VanDerWaalsContact O-N 3.11Å; S581-T584 PolarHBondContact N-O 2.91Å; T584-F586 HydrophobicContact CG2-CE1 3.87Å; T584-F586 HydrophobicContact CG2-CZ 4.37Å; T584-S596 PolarHBondContact O-OG 3.07Å; T584-T647 WeakPolarHBondContact CA-O 3.46Å; T584-F648 HydrophobicContact CG2-CD1 3.6Å; T584-F648 HydrophobicContact CG2-CE1 3.58Å |
| 585 | W | 86.2 | Confident | 72.9 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 159.1 | 172.7 | 63 | 82.8 | 0 | 0 | 0 | 112.6 | N594 F595 S596 T647 M649 | W585-N594 HydrophobicContact CB-CB 4.24Å; W585-N594 VanDerWaalsContact CD1-CG 3.42Å; W585-N594 HydrophobicContact CG-CB 4.03Å; W585-N594 PolarHBondContact NE1-ND2 3.08Å; W585-F595 CarbonylContact C-O 3.56Å; W585-F595 WeakPolarHBondContact CA-O 3.49Å; W585-S596 WeakPolarHBondContact CB-OG 3.36Å; W585-T647 HydrophobicContact CD2-CG2 4.49Å; W585-T647 HydrophobicContact CH2-CG2 4.01Å; W585-T647 HydrophobicContact CZ2-CG2 3.49Å; W585-T647 VanDerWaalsContact CZ2-CG2 3.49Å; W585-T647 PolarHBondContact N-O 2.92Å; W585-T647 PolarHBondContact NE1-OG1 2.8Å; W585-T647 PolarHBondContact O-N 2.85Å; W585-M649 HydrophobicContact CH2-CE 3.66Å; W585-M649 HydrophobicContact CH2-CG 4.26Å; W585-M649 HydrophobicContact CH2-SD 3.69Å; W585-M649 HydrophobicContact CZ3-CE 3.64Å; W585-M649 HydrophobicContact CZ3-SD 4.24Å |
| 586 | F | 87.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 157.1 | 179.7 | -46.9 | -35.3 | 0 | 0 | 0 | 110.2 | I569 F578 F580 T584 N594 F595 I643 A645 M646 F648 | I569-F586 HydrophobicContact CD1-CD2 4.23Å; I569-F586 HydrophobicContact CD1-CE2 3.84Å; F578-F586 HydrophobicContact CE1-CZ 4.26Å; F578-F586 HydrophobicContact CZ-CZ 4.4Å; F580-F586 AromaticContact CE1-CE2 3.87Å; F580-F586 HydrophobicContact CE1-CE2 3.87Å; F580-F586 AromaticContact CE1-CZ 3.79Å; F580-F586 HydrophobicContact CE1-CZ 3.79Å; F580-F586 HydrophobicContact CZ-CE2 4.33Å; F580-F586 HydrophobicContact CZ-CZ 4.24Å; T584-F586 HydrophobicContact CG2-CE1 3.87Å; T584-F586 HydrophobicContact CG2-CZ 4.37Å; F586-N594 CarbonylContact O-C 3.27Å; F586-N594 VanDerWaalsContact O-CA 3.31Å; F586-N594 WeakPolarHBondContact O-CA 3.49Å; F586-F595 HydrophobicContact CB-CD2 4.44Å; F586-F595 HydrophobicContact CB-CE1 4.17Å; F586-F595 HydrophobicContact CB-CE2 3.95Å; F586-F595 HydrophobicContact CB-CZ 3.79Å; F586-F595 HydrophobicContact CD2-CD2 4.49Å; F586-F595 AromaticContact CD2-CE2 3.96Å; F586-F595 HydrophobicContact CD2-CE2 3.96Å; F586-F595 HydrophobicContact CG-CE2 4.48Å; F586-F595 PolarHBondContact N-O 3.27Å; F586-F595 WeakPolarHBondContact O-CD1 3.41Å; F586-F595 PolarHBondContact O-N 3.01Å; F586-I643 HydrophobicContact CB-CD1 4.18Å; F586-I643 HydrophobicContact CB-CG2 4.01Å; F586-I643 HydrophobicContact CD2-CD1 3.99Å; F586-I643 HydrophobicContact CG-CD1 4.23Å; F586-A645 CarbonylContact C-O 3.52Å; F586-A645 WeakPolarHBondContact CA-O 3.37Å; F586-M646 HydrophobicContact CD1-CB 3.9Å; F586-M646 HydrophobicContact CD1-CE 3.66Å; F586-M646 HydrophobicContact CD1-CG 3.68Å; F586-M646 HydrophobicContact CE1-CB 4.31Å; F586-M646 HydrophobicContact CE1-CE 3.27Å; F586-M646 HydrophobicContact CE1-CG 4.19Å; F586-M646 HydrophobicContact CE2-CE 4.23Å; F586-M646 HydrophobicContact CG-CE 4.33Å; F586-M646 HydrophobicContact CG-CG 4.36Å; F586-M646 HydrophobicContact CZ-CE 3.59Å; F586-F648 HydrophobicContact CE1-CE1 4.37Å; F586-F648 HydrophobicContact CE1-CZ 4.32Å |
| 587 | R | 82.6 | Confident | 74.1 | Confident | 74 Ų | 74 | 43.4 Ų | 43.4 | 28% | 0.279 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.6 | 173.1 | -178.7 | 177.3 | 61.4 | 77.6 | 2.9 | 108.7 | I643 V644 A645 | R587-I643 CarbonylContact O-C 3.46Å; R587-I643 WeakPolarHBondContact O-CA 3.41Å; R587-V644 PolarHBondContact O-N 2.93Å; R587-A645 HydrophobicContact CB-CB 4.38Å; R587-A645 PolarHBondContact N-O 3.28Å; R587-A645 PolarHBondContact O-N 3.34Å |
| 588 | S | 75.5 | Confident | 74.6 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 169.3 | 178.6 | 83.6 | 0 | 0 | 0 | 0 | 112.5 | A590 Y591 Q639 G642 | S588-A590 VanDerWaalsContact C-N 3.28Å; S588-A590 PolarHBondContact OG-N 3.2Å; S588-Y591 VanDerWaalsContact OG-CB 3.26Å; S588-Y591 WeakPolarHBondContact OG-CB 3.18Å; S588-Y591 PolarHBondContact OG-N 3.28Å; S588-Q639 WeakPolarHBondContact CB-O 3.46Å; S588-Q639 PolarHBondContact OG-O 3.5Å; S588-G642 CarbonylContact C-O 3.56Å; S588-G642 WeakPolarHBondContact CA-O 3.37Å; S588-G642 VanDerWaalsContact CB-O 3.23Å; S588-G642 WeakPolarHBondContact CB-O 3.1Å |
| 589 | A | 67.1 | Low | 74.9 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -72.5 | -17.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | G642 V644 | A589-G642 PolarHBondContact N-O 3.48Å; A589-V644 HydrophobicContact CB-CG1 3.99Å |
| 590 | A | 62.5 | Low | 75 | Confident | 51 Ų | 51 | 48.1 Ų | 48.1 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -120.8 | -15.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S588 Q639 | S588-A590 VanDerWaalsContact C-N 3.28Å; S588-A590 PolarHBondContact OG-N 3.2Å; A590-Q639 HydrophobicContact CB-CB 4.42Å |
| 591 | Y | 62 | Low | 75.4 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -99.6 | 134.7 | 174.9 | 178.2 | -100.8 | 0 | 0 | 0 | 110 | S588 G593 F595 Q639 Y640 | S588-Y591 VanDerWaalsContact OG-CB 3.26Å; S588-Y591 WeakPolarHBondContact OG-CB 3.18Å; S588-Y591 PolarHBondContact OG-N 3.28Å; Y591-G593 WeakPolarHBondContact CD1-O 3.4Å; Y591-G593 PolarHBondContact O-N 3.46Å; Y591-F595 AromaticContact CD1-CD1 3.72Å; Y591-F595 HydrophobicContact CD1-CD1 3.72Å; Y591-F595 HydrophobicContact CD1-CE1 4.47Å; Y591-F595 HydrophobicContact CE1-CB 4.1Å; Y591-F595 HydrophobicContact CE1-CD1 4.12Å; Y591-F595 HydrophobicContact CG-CD1 4.41Å; Y591-Q639 WeakPolarHBondContact CB-O 3.44Å; Y591-Q639 HydrophobicContact CD2-CG 4.22Å; Y591-Y640 HydrophobicContact CD1-CE1 4.35Å; Y591-Y640 HydrophobicContact CD2-CD1 4.17Å; Y591-Y640 AromaticContact CD2-CE1 3.42Å; Y591-Y640 HydrophobicContact CD2-CE1 3.42Å; Y591-Y640 VanDerWaalsContact CD2-CE1 3.42Å; Y591-Y640 HydrophobicContact CE1-CE1 4.48Å; Y591-Y640 AromaticContact CE2-CE1 3.59Å; Y591-Y640 HydrophobicContact CE2-CE1 3.59Å; Y591-Y640 HydrophobicContact CG-CD1 4.16Å; Y591-Y640 AromaticContact CG-CE1 3.82Å; Y591-Y640 HydrophobicContact CG-CE1 3.82Å |
| 592 | V | 55.1 | Low | 76.1 | Confident | 136 Ų | 136 | 55.1 Ų | 55.1 | 82% | 0.824 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -82.6 | 111.2 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 593 | G | 65.5 | Low | 76.5 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 99.6 | -162.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y591 | Y591-G593 WeakPolarHBondContact CD1-O 3.4Å; Y591-G593 PolarHBondContact O-N 3.46Å |
| 594 | N | 79.1 | Confident | 76.8 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 151.2 | -176.1 | -60.6 | -19.9 | 0 | 0 | 0 | 111 | W585 F586 | W585-N594 HydrophobicContact CB-CB 4.24Å; W585-N594 VanDerWaalsContact CD1-CG 3.42Å; W585-N594 HydrophobicContact CG-CB 4.03Å; W585-N594 PolarHBondContact NE1-ND2 3.08Å; F586-N594 CarbonylContact O-C 3.27Å; F586-N594 VanDerWaalsContact O-CA 3.31Å; F586-N594 WeakPolarHBondContact O-CA 3.49Å |
| 595 | F | 78.8 | Confident | 76.9 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 154.9 | 175.4 | 63.5 | -84.8 | 0 | 0 | 0 | 111.8 | W585 F586 Y591 M597 Y640 I643 | W585-F595 CarbonylContact C-O 3.56Å; W585-F595 WeakPolarHBondContact CA-O 3.49Å; F586-F595 HydrophobicContact CB-CD2 4.44Å; F586-F595 HydrophobicContact CB-CE1 4.17Å; F586-F595 HydrophobicContact CB-CE2 3.95Å; F586-F595 HydrophobicContact CB-CZ 3.79Å; F586-F595 HydrophobicContact CD2-CD2 4.49Å; F586-F595 AromaticContact CD2-CE2 3.96Å; F586-F595 HydrophobicContact CD2-CE2 3.96Å; F586-F595 HydrophobicContact CG-CE2 4.48Å; F586-F595 PolarHBondContact N-O 3.27Å; F586-F595 WeakPolarHBondContact O-CD1 3.41Å; F586-F595 PolarHBondContact O-N 3.01Å; Y591-F595 AromaticContact CD1-CD1 3.72Å; Y591-F595 HydrophobicContact CD1-CD1 3.72Å; Y591-F595 HydrophobicContact CD1-CE1 4.47Å; Y591-F595 HydrophobicContact CE1-CB 4.1Å; Y591-F595 HydrophobicContact CE1-CD1 4.12Å; Y591-F595 HydrophobicContact CG-CD1 4.41Å; F595-M597 HydrophobicContact CD2-CE 4.12Å; F595-M597 HydrophobicContact CD2-CG 4.04Å; F595-Y640 AromaticContact CD1-CD1 3.97Å; F595-Y640 HydrophobicContact CD1-CD1 3.97Å; F595-Y640 HydrophobicContact CD2-CD1 4.02Å; F595-Y640 HydrophobicContact CE1-CD1 4.15Å; F595-Y640 HydrophobicContact CE2-CD1 4.19Å; F595-Y640 AromaticContact CG-CD1 3.91Å; F595-Y640 HydrophobicContact CG-CD1 3.91Å; F595-Y640 HydrophobicContact CG-CE1 4.39Å; F595-Y640 HydrophobicContact CZ-CD1 4.26Å; F595-Y640 WeakPolarHBondContact CZ-O 3.49Å; F595-I643 HydrophobicContact CZ-CD1 4.15Å; F595-I643 HydrophobicContact CZ-CG1 4.06Å |
| 596 | S | 84.2 | Confident | 76.8 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | trans | -135 | 87.1 | -175.3 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | S581 T584 W585 G603 | S581-S596 VanDerWaalsContact N-CB 3.28Å; S581-S596 PolarHBondContact N-OG 2.93Å; T584-S596 PolarHBondContact O-OG 3.07Å; W585-S596 WeakPolarHBondContact CB-OG 3.36Å; S596-G603 VanDerWaalsContact O-CA 3.31Å; S596-G603 WeakPolarHBondContact O-CA 3.26Å; S596-G603 PolarHBondContact O-N 2.77Å | ||
| 597 | M | 84.6 | Confident | 76.7 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | trans | -169.8 | 153.5 | 178.9 | 56.2 | -176.8 | 179.1 | 0 | 0 | 111.8 | F595 T601 N636 Y640 | F595-M597 HydrophobicContact CD2-CE 4.12Å; F595-M597 HydrophobicContact CD2-CG 4.04Å; M597-T601 WeakPolarHBondContact CB-O 3.25Å; M597-N636 PolarHBondContact O-ND2 2.73Å; M597-Y640 HydrophobicContact CE-CD1 3.4Å; M597-Y640 VanDerWaalsContact CE-CD1 3.4Å; M597-Y640 HydrophobicContact CE-CD2 3.72Å; M597-Y640 HydrophobicContact CE-CE1 3.37Å; M597-Y640 HydrophobicContact CE-CE2 3.69Å; M597-Y640 HydrophobicContact CE-CG 3.58Å | ||
| 598 | I | 83.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -112.1 | 119.7 | 164.6 | -64.7 | 168.2 | 0 | 0 | 0 | 107 | I569 V571 F580 M604 P606 D632 | I569-I598 HydrophobicContact CB-CD1 4.41Å; I569-I598 HydrophobicContact CB-CG1 4.32Å; I569-I598 HydrophobicContact CB-CG2 4.5Å; I569-I598 HydrophobicContact CG2-CD1 4.01Å; I569-I598 HydrophobicContact CG2-CG1 4.25Å; V571-I598 HydrophobicContact CG2-CD1 3.78Å; F580-I598 HydrophobicContact CE2-CD1 4.24Å; F580-I598 HydrophobicContact CE2-CG1 4.39Å; F580-I598 HydrophobicContact CZ-CD1 3.89Å; F580-I598 HydrophobicContact CZ-CG1 3.79Å; I598-M604 PolarHBondContact N-O 3.44Å; I598-P606 HydrophobicContact CG2-CG 4.37Å; I598-P606 WeakPolarHBondContact O-CD 3.29Å; I598-D632 HydrophobicContact CD1-CB 4.2Å |
| 599 | G | 81.9 | Confident | 77.2 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 109.2 | -132.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y635 N636 | G599-Y635 VanDerWaalsContact CA-O 3.31Å; G599-Y635 WeakPolarHBondContact CA-O 3.28Å; G599-N636 PolarHBondContact N-ND2 3.33Å; G599-N636 VanDerWaalsContact N-ND2 3.14Å; G599-N636 PolarHBondContact O-ND2 3.13Å |
| 600 | Q | 73.5 | Confident | 78 | Confident | 134 Ų | 134 | 56 Ų | 56 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -126.4 | -10.4 | -176.1 | -61.5 | -174.3 | -0.1 | 0 | 0 | 114.2 | Y637 | Q600-Y637 HydrophobicContact CG-CD2 4.22Š|
| 601 | T | 77.9 | Confident | 79 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -101.5 | 119.9 | -175.2 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | M597 G603 M604 V609 | M597-T601 WeakPolarHBondContact CB-O 3.25Å; T601-G603 PolarHBondContact O-N 3.32Å; T601-M604 HydrophobicContact CG2-CB 4.26Å; T601-M604 HydrophobicContact CG2-CG 4.27Å; T601-M604 HydrophobicContact CG2-SD 3.54Å; T601-M604 VanDerWaalsContact CG2-SD 3.54Å; T601-M604 PolarHBondContact O-N 2.92Å; T601-V609 HydrophobicContact CG2-CG2 4.39Å; T601-V609 WeakPolarHBondContact OG1-CG2 3.31Å |
| 602 | K | 77.7 | Confident | 80.1 | Confident | 188 Ų | 188 | 62.7 Ų | 62.7 | 82% | 0.817 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 126.4 | -176.8 | -175.4 | -179.2 | 178.7 | -177.7 | 0 | 111.4 | M604 | K602-M604 VanDerWaalsContact C-N 3.32Š|
| 603 | G | 77.4 | Confident | 81.6 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S596 T601 | S596-G603 VanDerWaalsContact O-CA 3.31Å; S596-G603 WeakPolarHBondContact O-CA 3.26Å; S596-G603 PolarHBondContact O-N 2.77Å; T601-G603 PolarHBondContact O-N 3.32Å |
| 604 | M | 84.1 | Confident | 82.6 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 29% | 0.286 | 32% | 0.32 | S | S | . | . | trans | -128.6 | 159.1 | -179.9 | -70.4 | 176.7 | 170 | 0 | 0 | 112 | I598 T601 K602 V609 L619 | I598-M604 PolarHBondContact N-O 3.44Å; T601-M604 HydrophobicContact CG2-CB 4.26Å; T601-M604 HydrophobicContact CG2-CG 4.27Å; T601-M604 HydrophobicContact CG2-SD 3.54Å; T601-M604 VanDerWaalsContact CG2-SD 3.54Å; T601-M604 PolarHBondContact O-N 2.92Å; K602-M604 VanDerWaalsContact C-N 3.32Å; M604-V609 HydrophobicContact CB-CG2 4.16Å; M604-V609 HydrophobicContact SD-CG2 4.19Å; M604-L619 HydrophobicContact CE-CD2 3.79Å; M604-L619 HydrophobicContact CG-CB 4.29Å; M604-L619 HydrophobicContact CG-CD2 4.22Å | ||
| 605 | C | 86.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -106.4 | 169.1 | 167 | -61.2 | 0 | 0 | 0 | 0 | 110 | C607 G608 V609 L619 C620 D632 | C605-C607 VanDerWaalsContact C-N 3.25Å; C605-C607 PolarHBondContact O-N 2.9Å; C605-G608 PolarHBondContact O-N 3.49Å; C605-V609 PolarHBondContact O-N 3.07Å; C605-L619 PolarHBondContact N-O 3Å; C605-C620 HydrophobicContact CB-CB 3.85Å; C605-C620 WeakPolarHBondContact CB-SG 3.25Å; C605-C620 PolarHBondContact N-SG 3.46Å; C605-C620 WeakPolarHBondContact SG-CB 3.31Å; C605-C620 CovalentContact SG-SG 2.04Å; C605-C620 PolarHBondContact SG-SG 3.27Å; C605-D632 HydrophobicContact CB-CB 4.27Å; C605-D632 VanDerWaalsContact CB-OD1 3.31Å; C605-D632 WeakPolarHBondContact CB-OD1 3.5Å; C605-D632 VanDerWaalsContact SG-CG 3.52Å | ||
| 606 | P | 85.5 | Confident | 82.8 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -32 | -178 | -28.4 | 40.1 | 0 | 0 | 0 | 113.9 | I598 G608 V609 Q610 T633 | I598-P606 HydrophobicContact CG2-CG 4.37Å; I598-P606 WeakPolarHBondContact O-CD 3.29Å; P606-G608 VanDerWaalsContact C-N 3.34Å; P606-G608 PolarHBondContact O-N 2.62Å; P606-V609 PolarHBondContact O-N 2.76Å; P606-Q610 WeakPolarHBondContact O-CB 3.38Å; P606-Q610 WeakPolarHBondContact O-CG 3.45Å; P606-Q610 PolarHBondContact O-N 2.9Å; P606-T633 WeakPolarHBondContact CG-O 3.45Å |
| 607 | C | 86 | Confident | 82.7 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 8% | 0.081 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 174.2 | 79 | 0 | 0 | 0 | 0 | 111.9 | C605 Q610 K611 S612 C613 N621 | C605-C607 VanDerWaalsContact C-N 3.25Å; C605-C607 PolarHBondContact O-N 2.9Å; C607-Q610 CarbonylContact O-C 3.59Å; C607-Q610 PolarHBondContact O-N 3.36Å; C607-K611 CarbonylContact O-C 3.3Å; C607-K611 WeakPolarHBondContact O-CA 3.29Å; C607-K611 PolarHBondContact O-N 3.31Å; C607-S612 WeakPolarHBondContact CA-OG 3.5Å; C607-S612 PolarHBondContact O-N 2.65Å; C607-C613 HydrophobicContact CB-CB 3.97Å; C607-C613 WeakPolarHBondContact CB-SG 3.27Å; C607-C613 VanDerWaalsContact SG-CA 3.57Å; C607-C613 WeakPolarHBondContact SG-CB 3.42Å; C607-C613 CovalentContact SG-SG 2.05Å; C607-C613 PolarHBondContact SG-SG 2.88Å; C607-N621 PolarHBondContact SG-OD1 2.79Å |
| 608 | G | 85.5 | Confident | 82.8 | Confident | 12 Ų | 12 | 74.7 Ų | 74.7 | 12% | 0.124 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.4 | -38.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C605 P606 K611 C613 L619 | C605-G608 PolarHBondContact O-N 3.49Å; P606-G608 VanDerWaalsContact C-N 3.34Å; P606-G608 PolarHBondContact O-N 2.62Å; G608-K611 PolarHBondContact O-N 2.93Å; G608-C613 VanDerWaalsContact CA-SG 3.56Å; G608-C613 PolarHBondContact N-SG 2.99Å; G608-L619 WeakPolarHBondContact CA-O 3.46Å |
| 609 | V | 82.6 | Confident | 82.9 | Confident | 82 Ų | 82 | 78.5 Ų | 78.5 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 174 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | T601 M604 C605 P606 K611 | T601-V609 HydrophobicContact CG2-CG2 4.39Å; T601-V609 WeakPolarHBondContact OG1-CG2 3.31Å; M604-V609 HydrophobicContact CB-CG2 4.16Å; M604-V609 HydrophobicContact SD-CG2 4.19Å; C605-V609 PolarHBondContact O-N 3.07Å; P606-V609 PolarHBondContact O-N 2.76Å; V609-K611 VanDerWaalsContact C-N 3.35Å |
| 610 | Q | 82.9 | Confident | 83.1 | Confident | 146 Ų | 146 | 78 Ų | 78 | 68% | 0.682 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -83.7 | -7.1 | 178.6 | -69.2 | 178.5 | -1.1 | 0 | 0 | 114 | P606 C607 S612 | P606-Q610 WeakPolarHBondContact O-CB 3.38Å; P606-Q610 WeakPolarHBondContact O-CG 3.45Å; P606-Q610 PolarHBondContact O-N 2.9Å; C607-Q610 CarbonylContact O-C 3.59Å; C607-Q610 PolarHBondContact O-N 3.36Å; Q610-S612 VanDerWaalsContact C-N 3.25Å; Q610-S612 WeakPolarHBondContact CB-OG 3.23Å; Q610-S612 PolarHBondContact O-N 3.43Å |
| 611 | K | 84 | Confident | 83.9 | Confident | 195 Ų | 195 | 72.7 Ų | 72.7 | 85% | 0.848 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.4 | -168.6 | -57 | -172.6 | 177.3 | -171.3 | 0 | 113.2 | C607 G608 V609 | C607-K611 CarbonylContact O-C 3.3Å; C607-K611 WeakPolarHBondContact O-CA 3.29Å; C607-K611 PolarHBondContact O-N 3.31Å; G608-K611 PolarHBondContact O-N 2.93Å; V609-K611 VanDerWaalsContact C-N 3.35Å |
| 612 | S | 85 | Confident | 84.3 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 47% | 0.469 | 38% | 0.38 | S | S | . | . | trans | -118.3 | 17.2 | -177.5 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | C607 Q610 | C607-S612 WeakPolarHBondContact CA-OG 3.5Å; C607-S612 PolarHBondContact O-N 2.65Å; Q610-S612 VanDerWaalsContact C-N 3.25Å; Q610-S612 WeakPolarHBondContact CB-OG 3.23Å; Q610-S612 PolarHBondContact O-N 3.43Å | ||
| 613 | C | 86.9 | Confident | 84.7 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 14% | 0.142 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -68.4 | 163.4 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | C607 G608 E615 L618 N621 | C607-C613 HydrophobicContact CB-CB 3.97Å; C607-C613 WeakPolarHBondContact CB-SG 3.27Å; C607-C613 VanDerWaalsContact SG-CA 3.57Å; C607-C613 WeakPolarHBondContact SG-CB 3.42Å; C607-C613 CovalentContact SG-SG 2.05Å; C607-C613 PolarHBondContact SG-SG 2.88Å; G608-C613 VanDerWaalsContact CA-SG 3.56Å; G608-C613 PolarHBondContact N-SG 2.99Å; C613-E615 PolarHBondContact O-N 3.02Å; C613-L618 HydrophobicContact CB-CB 3.86Å; C613-L618 PolarHBondContact SG-O 3.29Å; C613-N621 WeakPolarHBondContact CA-OD1 3.37Å; C613-N621 VanDerWaalsContact CB-OD1 3.26Å; C613-N621 WeakPolarHBondContact CB-OD1 3.24Å |
| 614 | V | 86.3 | Confident | 85 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -61.2 | -25.1 | -175.1 | -68.1 | 0 | 0 | 0 | 0 | 114.8 | L618 N621 A624 T630 | V614-L618 HydrophobicContact CG2-CD1 3.86Å; V614-N621 PolarHBondContact N-OD1 2.87Å; V614-A624 HydrophobicContact CG2-CB 4.35Å; V614-T630 HydrophobicContact CG2-CG2 4.24Å |
| 615 | E | 83.3 | Confident | 84.9 | Confident | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -131.4 | 146.4 | 175.3 | -57 | 170.8 | -174.7 | 0 | 0 | 109.6 | C613 G617 L618 | C613-E615 PolarHBondContact O-N 3.02Å; E615-G617 PolarHBondContact O-N 3.23Å; E615-L618 HydrophobicContact CB-CD1 3.65Å; E615-L618 HydrophobicContact CB-CG 4.13Å; E615-L618 HydrophobicContact CG-CD1 4.08Å; E615-L618 PolarHBondContact O-N 2.95Å |
| 616 | E | 79.3 | Confident | 84.6 | Confident | 208 Ų | 208 | 65 Ų | 65 | 97% | 0.972 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 132.2 | 177.7 | -72.9 | -164.3 | 134.2 | 0 | 0 | 111.5 | ||
| 617 | G | 82.6 | Confident | 84.3 | Confident | 77 Ų | 77 | 68 Ų | 68 | 79% | 0.794 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -12 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E615 | E615-G617 PolarHBondContact O-N 3.23Š|
| 618 | L | 85.1 | Confident | 84.1 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | trans | -62.8 | 142.2 | 170.2 | -78 | 173 | 0 | 0 | 0 | 111.8 | C613 V614 E615 A624 | C613-L618 HydrophobicContact CB-CB 3.86Å; C613-L618 PolarHBondContact SG-O 3.29Å; V614-L618 HydrophobicContact CG2-CD1 3.86Å; E615-L618 HydrophobicContact CB-CD1 3.65Å; E615-L618 HydrophobicContact CB-CG 4.13Å; E615-L618 HydrophobicContact CG-CD1 4.08Å; E615-L618 PolarHBondContact O-N 2.95Å; L618-A624 HydrophobicContact CD1-CB 3.72Å; L618-A624 HydrophobicContact CD2-CB 4.4Å | ||
| 619 | L | 85.9 | Confident | 83.9 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -90.8 | -23.2 | 174.2 | -55.4 | -176.5 | 0 | 0 | 0 | 112.5 | M604 C605 G608 | M604-L619 HydrophobicContact CE-CD2 3.79Å; M604-L619 HydrophobicContact CG-CB 4.29Å; M604-L619 HydrophobicContact CG-CD2 4.22Å; C605-L619 PolarHBondContact N-O 3Å; G608-L619 WeakPolarHBondContact CA-O 3.46Å |
| 620 | C | 88.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | trans | -153.5 | 143.4 | -176.6 | -72 | 0 | 0 | 0 | 0 | 108.1 | C605 D623 D632 | C605-C620 HydrophobicContact CB-CB 3.85Å; C605-C620 WeakPolarHBondContact CB-SG 3.25Å; C605-C620 PolarHBondContact N-SG 3.46Å; C605-C620 WeakPolarHBondContact SG-CB 3.31Å; C605-C620 CovalentContact SG-SG 2.04Å; C605-C620 PolarHBondContact SG-SG 3.27Å; C620-D623 PolarHBondContact O-N 2.97Å; C620-D632 VanDerWaalsContact CB-OD2 3.3Å; C620-D632 WeakPolarHBondContact CB-OD2 3.18Å | ||
| 621 | N | 88.8 | Confident | 84.4 | Confident | 23 Ų | 23 | 72.9 Ų | 72.9 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -66 | -37.4 | 176.8 | -72 | -35 | 0 | 0 | 0 | 112.3 | C607 C613 V614 D623 A624 T630 Q631 D632 | C607-N621 PolarHBondContact SG-OD1 2.79Å; C613-N621 WeakPolarHBondContact CA-OD1 3.37Å; C613-N621 VanDerWaalsContact CB-OD1 3.26Å; C613-N621 WeakPolarHBondContact CB-OD1 3.24Å; V614-N621 PolarHBondContact N-OD1 2.87Å; N621-D623 PolarHBondContact O-N 2.69Å; N621-D623 VanDerWaalsContact O-N 3.12Å; N621-A624 VanDerWaalsContact O-CB 3.29Å; N621-A624 WeakPolarHBondContact O-CB 3.32Å; N621-A624 PolarHBondContact O-N 2.83Å; N621-A624 VanDerWaalsContact O-N 3.15Å; N621-T630 WeakPolarHBondContact O-CB 2.89Å; N621-Q631 WeakPolarHBondContact CB-O 3.46Å; N621-Q631 PolarHBondContact ND2-O 3.47Å; N621-D632 VanDerWaalsContact N-CG 3.29Å; N621-D632 PolarHBondContact N-OD1 2.91Å; N621-D632 PolarHBondContact N-OD2 2.87Å |
| 622 | C | 87.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -73.7 | 3.3 | -177.5 | -67.5 | 0 | 0 | 0 | 0 | 114.3 | V571 T573 T577 F578 T630 D632 | V571-C622 HydrophobicContact CG1-CB 4.09Å; V571-C622 PolarHBondContact O-SG 3.18Å; T573-C622 HydrophobicContact CG2-CB 3.79Å; T573-C622 WeakPolarHBondContact OG1-CA 3.16Å; T573-C622 VanDerWaalsContact OG1-CB 3.23Å; T573-C622 WeakPolarHBondContact OG1-CB 3.1Å; T573-C622 PolarHBondContact OG1-SG 2.82Å; T577-C622 CarbonylContact C-O 3.19Å; F578-C622 HydrophobicContact CB-CB 3.94Å; F578-C622 PolarHBondContact N-O 3.02Å; C622-T630 PolarHBondContact SG-O 3.32Å; C622-D632 WeakPolarHBondContact CB-OD2 3.5Å; C622-D632 PolarHBondContact N-OD2 2.8Å; C622-D632 PolarHBondContact SG-N 2.9Å; C622-D632 VanDerWaalsContact SG-N 3.42Å |
| 623 | D | 85.4 | Confident | 84.7 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 23% | 0.225 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -101.3 | -0.2 | 171.8 | -69.7 | -32.1 | 0 | 0 | 0 | 112.9 | F578 S579 C620 N621 N625 | F578-D623 PolarHBondContact N-OD1 3.42Å; S579-D623 WeakPolarHBondContact CA-OD1 3.44Å; S579-D623 PolarHBondContact N-OD1 3.09Å; C620-D623 PolarHBondContact O-N 2.97Å; N621-D623 PolarHBondContact O-N 2.69Å; N621-D623 VanDerWaalsContact O-N 3.12Å; D623-N625 VanDerWaalsContact C-N 3.31Å; D623-N625 PolarHBondContact O-N 2.87Å |
| 624 | A | 83.1 | Confident | 84.6 | Confident | 20 Ų | 20 | 64 Ų | 64 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -71.4 | -17.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V614 L618 N621 S626 T630 | V614-A624 HydrophobicContact CG2-CB 4.35Å; L618-A624 HydrophobicContact CD1-CB 3.72Å; L618-A624 HydrophobicContact CD2-CB 4.4Å; N621-A624 VanDerWaalsContact O-CB 3.29Å; N621-A624 WeakPolarHBondContact O-CB 3.32Å; N621-A624 PolarHBondContact O-N 2.83Å; N621-A624 VanDerWaalsContact O-N 3.15Å; A624-S626 PolarHBondContact O-N 3.01Å; A624-T630 HydrophobicContact CB-CG2 4.45Å |
| 625 | N | 81.3 | Confident | 84.6 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | trans | 53.7 | 34.5 | -172.6 | -164 | 39.9 | 0 | 0 | 0 | 114 | L575 V576 T577 D623 | L575-N625 PolarHBondContact O-OD1 3.02Å; V576-N625 VanDerWaalsContact CA-OD1 3.26Å; V576-N625 WeakPolarHBondContact CA-OD1 3.28Å; V576-N625 PolarHBondContact N-OD1 3.05Å; V576-N625 VanDerWaalsContact N-OD1 3.09Å; T577-N625 HydrophobicContact CG2-CB 3.86Å; D623-N625 VanDerWaalsContact C-N 3.31Å; D623-N625 PolarHBondContact O-N 2.87Å | ||
| 626 | S | 81.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | trans | -73.1 | 147.9 | -170.1 | -175 | 0 | 0 | 0 | 0 | 113.5 | L575 A624 Q628 | L575-S626 PolarHBondContact N-O 3.22Å; A624-S626 PolarHBondContact O-N 3.01Å; S626-Q628 WeakPolarHBondContact CB-O 3.07Å; S626-Q628 PolarHBondContact O-N 3.26Å; S626-Q628 PolarHBondContact OG-N 2.74Å; S626-Q628 VanDerWaalsContact OG-N 3.1Å | ||
| 627 | P | 79.4 | Confident | 84.7 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 66% | 0.662 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -71.9 | -2.8 | 164.9 | 32.3 | -37.2 | 0 | 0 | 0 | 113.6 | L574 L575 | L574-P627 VanDerWaalsContact CD1-O 3.31Å; L574-P627 WeakPolarHBondContact CD1-O 3.39Å; L575-P627 HydrophobicContact CD2-CB 3.94Å |
| 628 | Q | 81.4 | Confident | 84.3 | Confident | 148 Ų | 148 | 54 Ų | 54 | 69% | 0.692 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -104.6 | 148.8 | 168.6 | -59.4 | -176.1 | 7.5 | 0 | 0 | 109.8 | S626 T630 | S626-Q628 WeakPolarHBondContact CB-O 3.07Å; S626-Q628 PolarHBondContact O-N 3.26Å; S626-Q628 PolarHBondContact OG-N 2.74Å; S626-Q628 VanDerWaalsContact OG-N 3.1Å; Q628-T630 PolarHBondContact O-N 3.18Å; Q628-T630 VanDerWaalsContact O-N 3.16Å |
| 629 | N | 80.9 | Confident | 83.6 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | trans | -57.7 | 121.7 | 172.7 | -80.9 | 8.3 | 0 | 0 | 0 | 109.7 | T573 | T573-N629 WeakPolarHBondContact O-CA 3.22Š| ||
| 630 | T | 87.6 | Confident | 83.3 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.4 | 175.3 | 40.3 | 0 | 0 | 0 | 0 | 109.2 | N572 T573 V614 N621 C622 A624 Q628 | N572-T630 WeakPolarHBondContact CA-O 3.46Å; N572-T630 PolarHBondContact OD1-O 3.32Å; T573-T630 PolarHBondContact N-O 2.96Å; T573-T630 PolarHBondContact O-N 3.29Å; T573-T630 PolarHBondContact O-OG1 3.33Å; T573-T630 PolarHBondContact OG1-O 2.89Å; T573-T630 PolarHBondContact OG1-OG1 3.03Å; V614-T630 HydrophobicContact CG2-CG2 4.24Å; N621-T630 WeakPolarHBondContact O-CB 2.89Å; C622-T630 PolarHBondContact SG-O 3.32Å; A624-T630 HydrophobicContact CB-CG2 4.45Å; Q628-T630 PolarHBondContact O-N 3.18Å; Q628-T630 VanDerWaalsContact O-N 3.16Å |
| 631 | Q | 88.7 | Confident | 82.8 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.7 | -174.3 | -163.8 | -171.9 | 4.7 | 0 | 0 | 111.3 | S570 V571 N621 T633 | S570-Q631 PolarHBondContact OG-NE2 3.29Å; V571-Q631 VanDerWaalsContact O-CA 3.27Å; V571-Q631 WeakPolarHBondContact O-CA 3.21Å; V571-Q631 WeakPolarHBondContact O-CG 3.49Å; N621-Q631 WeakPolarHBondContact CB-O 3.46Å; N621-Q631 PolarHBondContact ND2-O 3.47Å; Q631-T633 HydrophobicContact CG-CG2 3.99Å; Q631-T633 VanDerWaalsContact NE2-CG2 3.35Å |
| 632 | D | 87.9 | Confident | 82.4 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.2 | 165.4 | -77.2 | -63.2 | 0 | 0 | 0 | 109.6 | S570 V571 I598 C605 C620 N621 C622 | S570-D632 WeakPolarHBondContact CA-O 3.43Å; V571-D632 PolarHBondContact N-O 2.89Å; V571-D632 PolarHBondContact O-N 2.92Å; I598-D632 HydrophobicContact CD1-CB 4.2Å; C605-D632 HydrophobicContact CB-CB 4.27Å; C605-D632 VanDerWaalsContact CB-OD1 3.31Å; C605-D632 WeakPolarHBondContact CB-OD1 3.5Å; C605-D632 VanDerWaalsContact SG-CG 3.52Å; C620-D632 VanDerWaalsContact CB-OD2 3.3Å; C620-D632 WeakPolarHBondContact CB-OD2 3.18Å; N621-D632 VanDerWaalsContact N-CG 3.29Å; N621-D632 PolarHBondContact N-OD1 2.91Å; N621-D632 PolarHBondContact N-OD2 2.87Å; C622-D632 WeakPolarHBondContact CB-OD2 3.5Å; C622-D632 PolarHBondContact N-OD2 2.8Å; C622-D632 PolarHBondContact SG-N 2.9Å; C622-D632 VanDerWaalsContact SG-N 3.42Å |
| 633 | T | 86.6 | Confident | 82.2 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.9 | 176 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | I569 P606 Q631 | I569-T633 WeakPolarHBondContact O-CA 3.48Å; P606-T633 WeakPolarHBondContact CG-O 3.45Å; Q631-T633 HydrophobicContact CG-CG2 3.99Å; Q631-T633 VanDerWaalsContact NE2-CG2 3.35Å |
| 634 | G | 86.2 | Confident | 82 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G568 I569 | G568-G634 WeakPolarHBondContact CA-O 3.16Å; I569-G634 PolarHBondContact N-O 3.33Å; I569-G634 PolarHBondContact O-N 2.74Å |
| 635 | Y | 85 | Confident | 82 | Confident | 106 Ų | 106 | 51.5 Ų | 51.5 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.4 | -179.8 | -68.6 | -87.4 | 0 | 0 | 0 | 111.2 | K566 L567 G599 Y637 | K566-Y635 HydrophobicContact CB-CD1 4.05Å; K566-Y635 HydrophobicContact CD-CD1 4.42Å; K566-Y635 HydrophobicContact CD-CE1 4.48Å; K566-Y635 HydrophobicContact CG-CD1 4.33Å; L567-Y635 VanDerWaalsContact O-CA 3.29Å; L567-Y635 WeakPolarHBondContact O-CA 3.5Å; G599-Y635 VanDerWaalsContact CA-O 3.31Å; G599-Y635 WeakPolarHBondContact CA-O 3.28Å; Y635-Y637 WeakPolarHBondContact O-CD2 3.29Å; Y635-Y637 VanDerWaalsContact O-CE2 3.25Å; Y635-Y637 WeakPolarHBondContact O-CE2 3.33Å |
| 636 | N | 84.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 148.6 | 159.2 | -68.7 | 129.7 | 0 | 0 | 0 | 109.3 | K566 L567 I569 M597 G599 S641 | K566-N636 WeakPolarHBondContact CA-O 3.5Å; L567-N636 PolarHBondContact N-O 2.79Å; L567-N636 PolarHBondContact O-N 3.45Å; I569-N636 WeakPolarHBondContact CD1-OD1 3.34Å; M597-N636 PolarHBondContact O-ND2 2.73Å; G599-N636 PolarHBondContact N-ND2 3.33Å; G599-N636 VanDerWaalsContact N-ND2 3.14Å; G599-N636 PolarHBondContact O-ND2 3.13Å; N636-S641 VanDerWaalsContact O-CB 3.25Å; N636-S641 WeakPolarHBondContact O-CB 3.48Å |
| 637 | Y | 80.2 | Confident | 82.5 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 156.5 | -176.7 | -63.3 | -87.6 | 0 | 0 | 0 | 112.9 | K565 K566 Q600 Y635 Q639 Y640 | K565-Y637 VanDerWaalsContact O-CA 3.29Å; K565-Y637 WeakPolarHBondContact O-CA 3.32Å; K566-Y637 HydrophobicContact CB-CD1 3.86Å; K566-Y637 HydrophobicContact CB-CE1 3.75Å; Q600-Y637 HydrophobicContact CG-CD2 4.22Å; Y635-Y637 WeakPolarHBondContact O-CD2 3.29Å; Y635-Y637 VanDerWaalsContact O-CE2 3.25Å; Y635-Y637 WeakPolarHBondContact O-CE2 3.33Å; Y637-Q639 PolarHBondContact O-N 3.16Å; Y637-Q639 VanDerWaalsContact O-N 3.09Å; Y637-Y640 PolarHBondContact O-N 3.29Å |
| 638 | N | 74.1 | Confident | 82.9 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 43% | 0.433 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | 52.9 | -108.3 | 169 | -58 | -32.1 | 0 | 0 | 0 | 113.2 | K565 Y640 S641 | K565-N638 PolarHBondContact O-N 3.21Å; N638-Y640 VanDerWaalsContact C-N 3.27Å; N638-Y640 PolarHBondContact O-N 3.41Å; N638-S641 PolarHBondContact O-OG 2.92Å |
| 639 | Q | 71.5 | Confident | 82.9 | Confident | 65 Ų | 65 | 38 Ų | 38 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -70.9 | -20 | -178.2 | 68.5 | -170.6 | 2.4 | 0 | 0 | 113.5 | S588 A590 Y591 Y637 | S588-Q639 WeakPolarHBondContact CB-O 3.46Å; S588-Q639 PolarHBondContact OG-O 3.5Å; A590-Q639 HydrophobicContact CB-CB 4.42Å; Y591-Q639 WeakPolarHBondContact CB-O 3.44Å; Y591-Q639 HydrophobicContact CD2-CG 4.22Å; Y637-Q639 PolarHBondContact O-N 3.16Å; Y637-Q639 VanDerWaalsContact O-N 3.09Å |
| 640 | Y | 78.6 | Confident | 82.2 | Confident | 47 Ų | 47 | 34.7 Ų | 34.7 | 18% | 0.184 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -95.2 | -9.1 | -174.6 | -58 | -66.8 | 0 | 0 | 0 | 114.6 | Y591 F595 M597 Y637 N638 I643 | Y591-Y640 HydrophobicContact CD1-CE1 4.35Å; Y591-Y640 HydrophobicContact CD2-CD1 4.17Å; Y591-Y640 AromaticContact CD2-CE1 3.42Å; Y591-Y640 HydrophobicContact CD2-CE1 3.42Å; Y591-Y640 VanDerWaalsContact CD2-CE1 3.42Å; Y591-Y640 HydrophobicContact CE1-CE1 4.48Å; Y591-Y640 AromaticContact CE2-CE1 3.59Å; Y591-Y640 HydrophobicContact CE2-CE1 3.59Å; Y591-Y640 HydrophobicContact CG-CD1 4.16Å; Y591-Y640 AromaticContact CG-CE1 3.82Å; Y591-Y640 HydrophobicContact CG-CE1 3.82Å; F595-Y640 AromaticContact CD1-CD1 3.97Å; F595-Y640 HydrophobicContact CD1-CD1 3.97Å; F595-Y640 HydrophobicContact CD2-CD1 4.02Å; F595-Y640 HydrophobicContact CE1-CD1 4.15Å; F595-Y640 HydrophobicContact CE2-CD1 4.19Å; F595-Y640 AromaticContact CG-CD1 3.91Å; F595-Y640 HydrophobicContact CG-CD1 3.91Å; F595-Y640 HydrophobicContact CG-CE1 4.39Å; F595-Y640 HydrophobicContact CZ-CD1 4.26Å; F595-Y640 WeakPolarHBondContact CZ-O 3.49Å; M597-Y640 HydrophobicContact CE-CD1 3.4Å; M597-Y640 VanDerWaalsContact CE-CD1 3.4Å; M597-Y640 HydrophobicContact CE-CD2 3.72Å; M597-Y640 HydrophobicContact CE-CE1 3.37Å; M597-Y640 HydrophobicContact CE-CE2 3.69Å; M597-Y640 HydrophobicContact CE-CG 3.58Å; Y637-Y640 PolarHBondContact O-N 3.29Å; N638-Y640 VanDerWaalsContact C-N 3.27Å; N638-Y640 PolarHBondContact O-N 3.41Å; Y640-I643 WeakPolarHBondContact O-CG1 3.42Å |
| 641 | S | 78.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -98.6 | -9.8 | -167.9 | 65.7 | 0 | 0 | 0 | 0 | 114.9 | K565 L567 N636 N638 I643 L665 | K565-S641 WeakPolarHBondContact CB-OG 3.3Å; K565-S641 VanDerWaalsContact CD-OG 3.24Å; K565-S641 WeakPolarHBondContact CD-OG 3.48Å; L567-S641 VanDerWaalsContact CB-O 3.28Å; L567-S641 WeakPolarHBondContact CB-O 3.25Å; L567-S641 WeakPolarHBondContact CD2-O 3.44Å; N636-S641 VanDerWaalsContact O-CB 3.25Å; N636-S641 WeakPolarHBondContact O-CB 3.48Å; N638-S641 PolarHBondContact O-OG 2.92Å; S641-I643 VanDerWaalsContact C-N 3.32Å; S641-I643 PolarHBondContact O-N 2.78Å; S641-L665 WeakPolarHBondContact O-CD1 3.43Å |
| 642 | G | 79.5 | Confident | 79.4 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -91.2 | 60.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S588 A589 V644 | S588-G642 CarbonylContact C-O 3.56Å; S588-G642 WeakPolarHBondContact CA-O 3.37Å; S588-G642 VanDerWaalsContact CB-O 3.23Å; S588-G642 WeakPolarHBondContact CB-O 3.1Å; A589-G642 PolarHBondContact N-O 3.48Å; G642-V644 PolarHBondContact O-N 3.27Å | ||
| 643 | I | 83.7 | Confident | 78 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 103.3 | -167.8 | -60.2 | -176.7 | 0 | 0 | 0 | 111.6 | I556 Y558 L567 I569 F586 R587 F595 Y640 S641 A645 M646 | I556-I643 VanDerWaalsContact CB-O 3.26Å; I556-I643 WeakPolarHBondContact CB-O 3.4Å; I556-I643 HydrophobicContact CD1-CG2 4.42Å; I556-I643 VanDerWaalsContact CG2-O 3.28Å; I556-I643 WeakPolarHBondContact CG2-O 3.34Å; Y558-I643 WeakPolarHBondContact CE2-O 3.37Å; Y558-I643 PolarHBondContact OH-N 3.25Å; Y558-I643 PolarHBondContact OH-O 2.85Å; Y558-I643 VanDerWaalsContact OH-O 3.07Å; L567-I643 HydrophobicContact CD2-CB 4.13Å; L567-I643 HydrophobicContact CD2-CD1 3.77Å; L567-I643 HydrophobicContact CD2-CG1 3.83Å; I569-I643 HydrophobicContact CD1-CD1 3.63Å; F586-I643 HydrophobicContact CB-CD1 4.18Å; F586-I643 HydrophobicContact CB-CG2 4.01Å; F586-I643 HydrophobicContact CD2-CD1 3.99Å; F586-I643 HydrophobicContact CG-CD1 4.23Å; R587-I643 CarbonylContact O-C 3.46Å; R587-I643 WeakPolarHBondContact O-CA 3.41Å; F595-I643 HydrophobicContact CZ-CD1 4.15Å; F595-I643 HydrophobicContact CZ-CG1 4.06Å; Y640-I643 WeakPolarHBondContact O-CG1 3.42Å; S641-I643 VanDerWaalsContact C-N 3.32Å; S641-I643 PolarHBondContact O-N 2.78Å; I643-A645 WeakPolarHBondContact CG2-O 3.33Å; I643-M646 HydrophobicContact CG2-CG 3.6Å; I643-M646 HydrophobicContact CG2-SD 4.37Å |
| 644 | V | 81.8 | Confident | 77 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -5.9 | -178 | -66.2 | 0 | 0 | 0 | 0 | 113.8 | I556 Y558 R587 A589 G642 | I556-V644 PolarHBondContact N-O 3.41Å; I556-V644 VanDerWaalsContact O-CA 3.32Å; I556-V644 WeakPolarHBondContact O-CA 3.15Å; Y558-V644 HydrophobicContact CD2-CG1 4.36Å; Y558-V644 HydrophobicContact CE2-CG1 4.37Å; R587-V644 PolarHBondContact O-N 2.93Å; A589-V644 HydrophobicContact CB-CG1 3.99Å; G642-V644 PolarHBondContact O-N 3.27Å |
| 645 | A | 83.8 | Confident | 76.2 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 145.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | T553 F554 L555 F586 R587 I643 | T553-A645 HydrophobicContact CG2-CB 4.11Å; F554-A645 VanDerWaalsContact O-CA 3.26Å; F554-A645 WeakPolarHBondContact O-CA 3.3Å; L555-A645 HydrophobicContact CD2-CB 4.14Å; F586-A645 CarbonylContact C-O 3.52Å; F586-A645 WeakPolarHBondContact CA-O 3.37Å; R587-A645 HydrophobicContact CB-CB 4.38Å; R587-A645 PolarHBondContact N-O 3.28Å; R587-A645 PolarHBondContact O-N 3.34Å; I643-A645 WeakPolarHBondContact CG2-O 3.33Å |
| 646 | M | 88 | Confident | 76 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.6 | 171.9 | -59.6 | 175.8 | 90.6 | 0 | 0 | 108.8 | F538 T553 F554 I556 F586 I643 F648 V660 L662 | F538-M646 HydrophobicContact CZ-SD 4.5Å; T553-M646 WeakPolarHBondContact CA-O 3.31Å; F554-M646 PolarHBondContact N-O 3.37Å; F554-M646 PolarHBondContact O-N 2.75Å; I556-M646 HydrophobicContact CD1-CB 4.47Å; I556-M646 HydrophobicContact CD1-CG 3.64Å; I556-M646 HydrophobicContact CD1-SD 3.48Å; I556-M646 WeakPolarHBondContact CD1-SD 3.18Å; F586-M646 HydrophobicContact CD1-CB 3.9Å; F586-M646 HydrophobicContact CD1-CE 3.66Å; F586-M646 HydrophobicContact CD1-CG 3.68Å; F586-M646 HydrophobicContact CE1-CB 4.31Å; F586-M646 HydrophobicContact CE1-CE 3.27Å; F586-M646 HydrophobicContact CE1-CG 4.19Å; F586-M646 HydrophobicContact CE2-CE 4.23Å; F586-M646 HydrophobicContact CG-CE 4.33Å; F586-M646 HydrophobicContact CG-CG 4.36Å; F586-M646 HydrophobicContact CZ-CE 3.59Å; I643-M646 HydrophobicContact CG2-CG 3.6Å; I643-M646 HydrophobicContact CG2-SD 4.37Å; M646-F648 HydrophobicContact CB-CE2 3.57Å; M646-F648 HydrophobicContact CB-CZ 3.81Å; M646-F648 HydrophobicContact CE-CZ 4.22Å; M646-V660 HydrophobicContact CE-CG1 3.85Å; M646-L662 HydrophobicContact SD-CD1 4.5Å |
| 647 | T | 85.7 | Confident | 75.9 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.8 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | T553 T584 W585 M649 | T553-T647 WeakPolarHBondContact CG2-OG1 3.37Å; T553-T647 WeakPolarHBondContact OG1-CG2 3.48Å; T553-T647 PolarHBondContact OG1-OG1 3Å; T584-T647 WeakPolarHBondContact CA-O 3.46Å; W585-T647 HydrophobicContact CD2-CG2 4.49Å; W585-T647 HydrophobicContact CH2-CG2 4.01Å; W585-T647 HydrophobicContact CZ2-CG2 3.49Å; W585-T647 VanDerWaalsContact CZ2-CG2 3.49Å; W585-T647 PolarHBondContact N-O 2.92Å; W585-T647 PolarHBondContact NE1-OG1 2.8Å; W585-T647 PolarHBondContact O-N 2.85Å; T647-M649 HydrophobicContact CG2-CG 4.32Å |
| 648 | F | 86.5 | Confident | 76.2 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.2 | 178.8 | -51.7 | -87.1 | 0 | 0 | 0 | 109.1 | V544 D551 T552 F554 F578 T584 F586 M646 V660 | V544-F648 HydrophobicContact CB-CB 4.42Å; V544-F648 HydrophobicContact CB-CD1 3.93Å; V544-F648 HydrophobicContact CB-CD2 3.87Å; V544-F648 HydrophobicContact CB-CE1 4.1Å; V544-F648 HydrophobicContact CB-CE2 4.04Å; V544-F648 HydrophobicContact CB-CG 3.8Å; V544-F648 HydrophobicContact CB-CZ 4.15Å; V544-F648 HydrophobicContact CG1-CD1 4.45Å; V544-F648 HydrophobicContact CG1-CD2 3.91Å; V544-F648 HydrophobicContact CG1-CE1 4.19Å; V544-F648 HydrophobicContact CG1-CE2 3.61Å; V544-F648 HydrophobicContact CG1-CG 4.32Å; V544-F648 HydrophobicContact CG1-CZ 3.76Å; V544-F648 HydrophobicContact CG2-CD1 3.79Å; V544-F648 HydrophobicContact CG2-CE1 3.83Å; V544-F648 HydrophobicContact CG2-CG 4.19Å; V544-F648 HydrophobicContact CG2-CZ 4.26Å; D551-F648 WeakPolarHBondContact CA-O 3.49Å; T552-F648 PolarHBondContact N-O 3.36Å; T552-F648 PolarHBondContact O-N 2.74Å; F554-F648 AromaticContact CD2-CD2 3.67Å; F554-F648 HydrophobicContact CD2-CD2 3.67Å; F554-F648 AromaticContact CD2-CE2 3.64Å; F554-F648 HydrophobicContact CD2-CE2 3.64Å; F554-F648 AromaticContact CE2-CD2 3.69Å; F554-F648 HydrophobicContact CE2-CD2 3.69Å; F554-F648 AromaticContact CE2-CE2 3.92Å; F554-F648 HydrophobicContact CE2-CE2 3.92Å; F578-F648 HydrophobicContact CE2-CD1 4.25Å; F578-F648 AromaticContact CE2-CE1 3.77Å; F578-F648 HydrophobicContact CE2-CE1 3.77Å; F578-F648 HydrophobicContact CZ-CD1 4.4Å; F578-F648 AromaticContact CZ-CE1 3.64Å; F578-F648 HydrophobicContact CZ-CE1 3.64Å; T584-F648 HydrophobicContact CG2-CD1 3.6Å; T584-F648 HydrophobicContact CG2-CE1 3.58Å; F586-F648 HydrophobicContact CE1-CE1 4.37Å; F586-F648 HydrophobicContact CE1-CZ 4.32Å; M646-F648 HydrophobicContact CB-CE2 3.57Å; M646-F648 HydrophobicContact CB-CZ 3.81Å; M646-F648 HydrophobicContact CE-CZ 4.22Å; F648-V660 HydrophobicContact CE1-CG2 4.11Å; F648-V660 HydrophobicContact CZ-CG2 4.1Å |
| 649 | M | 81 | Confident | 76.9 | Confident | 54 Ų | 54 | 42 Ų | 42 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | trans | -111.6 | 136.4 | 174.5 | -56.5 | -168.4 | -51.3 | 0 | 0 | 110.2 | R545 D551 S583 W585 T647 | R545-M649 VanDerWaalsContact CZ-O 3.24Å; R545-M649 PolarHBondContact NH1-O 3.15Å; R545-M649 PolarHBondContact NH2-O 3.28Å; D551-M649 HydrophobicContact CB-CG 4.41Å; D551-M649 WeakPolarHBondContact OD1-CA 3.4Å; S583-M649 WeakPolarHBondContact CB-O 3.37Å; S583-M649 PolarHBondContact O-N 3.07Å; W585-M649 HydrophobicContact CH2-CE 3.66Å; W585-M649 HydrophobicContact CH2-CG 4.26Å; W585-M649 HydrophobicContact CH2-SD 3.69Å; W585-M649 HydrophobicContact CZ3-CE 3.64Å; W585-M649 HydrophobicContact CZ3-SD 4.24Å; T647-M649 HydrophobicContact CG2-CG 4.32Å | ||
| 650 | G | 67.7 | Low | 77.7 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | trans | -74.6 | 136 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D551 R1347 | D551-G650 PolarHBondContact OD1-N 3.45Å; G650-R1347 PolarHBondContact O-NH2 2.82Å | ||
| 651 | E | 60.2 | Low | 78.1 | Confident | 101 Ų | 101 | 38.9 Ų | 38.9 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | trans | -92 | -18.4 | 173.5 | -66.2 | -167.9 | 166.3 | 0 | 0 | 112.8 | T577 S579 S583 | T577-E651 PolarHBondContact OG1-OE2 3.26Å; S579-E651 WeakPolarHBondContact CB-OE1 3.32Å; S579-E651 PolarHBondContact OG-OE1 3.28Å; S583-E651 WeakPolarHBondContact CB-OE1 3.2Å; S583-E651 WeakPolarHBondContact OG-CG 3.27Å; S583-E651 PolarHBondContact OG-OE1 2.96Å | ||
| 652 | G | 57 | Low | 78.5 | Confident | 55 Ų | 55 | 39.3 Ų | 39.3 | 57% | 0.567 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 173.1 | 177.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T654 | G652-T654 PolarHBondContact O-N 2.98Š|
| 653 | K | 58.8 | Low | 78.6 | Confident | 158 Ų | 158 | 40.2 Ų | 40.2 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | trans | -80.5 | 97.5 | 168.8 | -74.5 | -179.6 | 165.1 | -161.4 | 0 | 109.1 | Y547 | Y547-K653 HydrophobicContact CD2-CB 4.08Å; Y547-K653 HydrophobicContact CD2-CD 4.41Å; Y547-K653 HydrophobicContact CD2-CG 4.33Å; Y547-K653 HydrophobicContact CE2-CB 4.11Å; Y547-K653 HydrophobicContact CE2-CD 3.72Å; Y547-K653 HydrophobicContact CE2-CG 4.14Å; Y547-K653 PolarHBondContact OH-NZ 2.93Å; Y547-K653 VanDerWaalsContact OH-NZ 3.09Å | ||
| 654 | T | 65 | Low | 78.5 | Confident | 45 Ų | 45 | 43 Ų | 43 | 28% | 0.276 | 24% | 0.24 | S | C | . | . | trans | -100.5 | 152.7 | 172 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | V576 G652 | V576-T654 HydrophobicContact CG2-CG2 4.4Å; G652-T654 PolarHBondContact O-N 2.98Å | ||
| 655 | E | 70.3 | Confident | 78.7 | Confident | 187 Ų | 187 | 41.5 Ų | 41.5 | 87% | 0.874 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -73.8 | -18.1 | 169.1 | -63.8 | -171.8 | 154.4 | 0 | 0 | 112.2 | ||
| 656 | G | 79.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | trans | -71.3 | 171.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S546 L574 L575 | S546-G656 WeakPolarHBondContact CA-O 3.39Å; L574-G656 CarbonylContact O-C 3.55Å; L574-G656 WeakPolarHBondContact O-CA 3.17Å; L575-G656 WeakPolarHBondContact O-CA 3.4Å | ||
| 657 | W | 83 | Confident | 78.2 | Confident | 66 Ų | 66 | 43.3 Ų | 43.3 | 25% | 0.25 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154.7 | -179.8 | 57.4 | -90.3 | 0 | 0 | 0 | 111.9 | R545 N572 T573 L574 V576 D659 | R545-W657 CarbonylContact O-C 3.5Å; R545-W657 WeakPolarHBondContact O-CA 3.37Å; N572-W657 WeakPolarHBondContact ND2-CH2 3.37Å; T573-W657 WeakPolarHBondContact CA-O 3.44Å; L574-W657 HydrophobicContact CB-CZ2 4.17Å; L574-W657 HydrophobicContact CD2-CZ2 4.43Å; L574-W657 PolarHBondContact N-O 2.93Å; L574-W657 PolarHBondContact O-N 3.18Å; V576-W657 VanDerWaalsContact CG1-C 3.47Å; V576-W657 VanDerWaalsContact CG1-O 3.23Å; V576-W657 WeakPolarHBondContact CG1-O 3.4Å; W657-D659 HydrophobicContact CE3-CB 4.21Å; W657-D659 HydrophobicContact CZ3-CB 3.93Å |
| 658 | A | 85.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V544 R545 N572 T573 V576 | V544-A658 HydrophobicContact CG2-CB 4.18Å; V544-A658 WeakPolarHBondContact CG2-O 3.5Å; V544-A658 PolarHBondContact N-O 2.91Å; R545-A658 HydrophobicContact CB-CB 3.77Å; R545-A658 HydrophobicContact CG-CB 4.13Å; R545-A658 PolarHBondContact N-O 2.9Å; R545-A658 PolarHBondContact O-N 2.86Å; N572-A658 CarbonylContact O-C 2.94Å; N572-A658 VanDerWaalsContact O-CA 3.3Å; N572-A658 WeakPolarHBondContact O-CA 3.41Å; T573-A658 HydrophobicContact CG2-CB 3.68Å; V576-A658 HydrophobicContact CG1-CB 3.99Å |
| 659 | D | 88.8 | Confident | 76.4 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.7 | 175.8 | -75.7 | 10.7 | 0 | 0 | 0 | 110.3 | S541 T542 Q543 N572 W657 | S541-D659 PolarHBondContact OG-OD2 2.93Å; T542-D659 WeakPolarHBondContact O-CA 3.3Å; Q543-D659 WeakPolarHBondContact CA-OD1 3.4Å; Q543-D659 WeakPolarHBondContact CB-OD1 2.88Å; N572-D659 PolarHBondContact N-O 3.2Å; N572-D659 PolarHBondContact O-N 2.83Å; W657-D659 HydrophobicContact CE3-CB 4.21Å; W657-D659 HydrophobicContact CZ3-CB 3.93Å |
| 660 | V | 89.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.9 | 176.8 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | F538 S541 T542 V544 S570 V571 F578 M646 F648 | F538-V660 HydrophobicContact CE1-CB 4.29Å; F538-V660 HydrophobicContact CE1-CG1 4.03Å; F538-V660 HydrophobicContact CZ-CB 4.27Å; F538-V660 HydrophobicContact CZ-CG1 4.23Å; S541-V660 PolarHBondContact N-O 3.48Å; T542-V660 PolarHBondContact N-O 3.15Å; T542-V660 PolarHBondContact O-N 2.87Å; V544-V660 HydrophobicContact CB-CG2 4.42Å; V544-V660 HydrophobicContact CG1-CB 4.12Å; V544-V660 HydrophobicContact CG1-CG2 3.92Å; V544-V660 HydrophobicContact CG2-CG2 3.59Å; S570-V660 WeakPolarHBondContact O-CA 3.44Å; V571-V660 HydrophobicContact CG2-CG2 4.34Å; F578-V660 HydrophobicContact CE2-CG2 3.65Å; F578-V660 HydrophobicContact CZ-CG2 3.9Å; M646-V660 HydrophobicContact CE-CG1 3.85Å; F648-V660 HydrophobicContact CE1-CG2 4.11Å; F648-V660 HydrophobicContact CZ-CG2 4.1Å |
| 661 | T | 86.9 | Confident | 73.7 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.7 | 170 | -62.7 | 0 | 0 | 0 | 0 | 109.1 | S541 S570 | S541-T661 PolarHBondContact N-OG1 2.75Å; S570-T661 PolarHBondContact N-O 3.08Å; S570-T661 PolarHBondContact O-N 3.26Å |
| 662 | L | 86 | Confident | 72.8 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.2 | 172.8 | -157.4 | 63.1 | 0 | 0 | 0 | 108.6 | H536 F538 I556 L567 I569 M646 | H536-L662 PolarHBondContact CE1-O 2.87Å; H536-L662 PolarHBondContact NE2-O 3.46Å; F538-L662 HydrophobicContact CB-CB 4.43Å; F538-L662 HydrophobicContact CB-CD2 4.19Å; F538-L662 HydrophobicContact CD1-CB 3.67Å; F538-L662 HydrophobicContact CE1-CB 4.37Å; F538-L662 HydrophobicContact CG-CB 4.36Å; F538-L662 HydrophobicContact CG-CD2 4.49Å; I556-L662 HydrophobicContact CD1-CD2 3.77Å; I556-L662 HydrophobicContact CG2-CD2 4.19Å; L567-L662 HydrophobicContact CD1-CG 4.41Å; L567-L662 HydrophobicContact CD2-CD1 3.43Å; L567-L662 VanDerWaalsContact CD2-CD1 3.43Å; L567-L662 HydrophobicContact CD2-CD2 4.25Å; L567-L662 HydrophobicContact CD2-CG 3.96Å; L567-L662 HydrophobicContact CG-CD1 4.06Å; L567-L662 HydrophobicContact CG-CG 4.33Å; I569-L662 HydrophobicContact CD1-CD1 4.36Å; I569-L662 HydrophobicContact CG1-CD1 3.85Å; M646-L662 HydrophobicContact SD-CD1 4.5Å |
| 663 | G | 81 | Confident | 71.8 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 162.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | H536 L567 G568 | H536-G663 PolarHBondContact NE2-O 3.21Å; H536-G663 VanDerWaalsContact NE2-O 3.13Å; L567-G663 WeakPolarHBondContact CD1-O 3.3Å; G568-G663 PolarHBondContact O-N 3.45Å |
| 664 | P | 82.6 | Confident | 70.5 | Confident | 60 Ų | 60 | 41 Ų | 41 | 39% | 0.39 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 156.6 | -179.4 | 30 | -36.9 | 0 | 0 | 0 | 111.9 | T533 E666 | T533-P664 HydrophobicContact CG2-CB 3.68Å; T533-P664 HydrophobicContact CG2-CG 3.83Å; P664-E666 PolarHBondContact O-N 2.83Å |
| 665 | L | 84.6 | Confident | 68.8 | Low | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 103 | 176.9 | 177 | 60.8 | 0 | 0 | 0 | 109.6 | V534 Y558 K565 L567 S641 | V534-L665 HydrophobicContact CB-CB 4.28Å; V534-L665 PolarHBondContact N-O 2.87Å; V534-L665 PolarHBondContact O-N 2.96Å; Y558-L665 HydrophobicContact CD1-CB 3.78Å; Y558-L665 HydrophobicContact CD1-CD2 3.97Å; Y558-L665 HydrophobicContact CE1-CB 3.76Å; Y558-L665 HydrophobicContact CE1-CD2 4.27Å; Y558-L665 HydrophobicContact CG-CD2 4.19Å; K565-L665 HydrophobicContact CB-CD1 3.94Å; K565-L665 HydrophobicContact CD-CD1 4.06Å; K565-L665 HydrophobicContact CG-CD1 4.16Å; L567-L665 HydrophobicContact CB-CD1 4.49Å; L567-L665 HydrophobicContact CD1-CB 3.95Å; L567-L665 HydrophobicContact CD1-CD1 4.28Å; S641-L665 WeakPolarHBondContact O-CD1 3.43Å |
| 666 | E | 83.1 | Confident | 66.8 | Low | 42 Ų | 42 | 37.7 Ų | 37.7 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.3 | -179.7 | -62 | 174.1 | 86.7 | 0 | 0 | 110.8 | W531 T533 K565 K566 P664 | W531-E666 HydrophobicContact CE3-CB 4.17Å; W531-E666 HydrophobicContact CZ3-CB 4.37Å; T533-E666 HydrophobicContact CG2-CG 4.08Å; K565-E666 CarbonylContact C-O 3.58Å; K565-E666 VanDerWaalsContact CA-O 3.32Å; K565-E666 WeakPolarHBondContact CA-O 3.32Å; K566-E666 HydrophobicContact CD-CB 4.48Å; K566-E666 WeakPolarHBondContact CE-OE1 3.37Å; K566-E666 WeakPolarHBondContact CE-OE2 3.46Å; K566-E666 HydrophobicContact CG-CB 3.75Å; K566-E666 PolarHBondContact N-O 2.8Å; K566-E666 IonicContact NZ-OE1 2.67Å; K566-E666 PolarHBondContact NZ-OE1 3.38Å; K566-E666 IonicContact NZ-OE2 3.69Å; K566-E666 PolarHBondContact NZ-OE2 2.91Å; K566-E666 PolarHBondContact O-N 2.91Å; P664-E666 PolarHBondContact O-N 2.83Å |
| 667 | C | 79.4 | Confident | 64.4 | Low | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.4 | -169.6 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | W531 T532 V562 R564 | W531-C667 CarbonylContact C-O 3.6Å; W531-C667 WeakPolarHBondContact CA-O 3.26Å; T532-C667 PolarHBondContact N-O 2.84Å; T532-C667 WeakPolarHBondContact O-CB 3.19Å; T532-C667 PolarHBondContact O-N 2.98Å; V562-C667 HydrophobicContact CB-CB 3.44Å; V562-C667 VanDerWaalsContact CB-CB 3.44Å; V562-C667 VanDerWaalsContact CB-SG 3.59Å; V562-C667 HydrophobicContact CG1-CB 3.85Å; V562-C667 HydrophobicContact CG2-CB 3.36Å; V562-C667 VanDerWaalsContact CG2-SG 3.55Å; R564-C667 VanDerWaalsContact O-CA 3.23Å; R564-C667 WeakPolarHBondContact O-CA 3.42Å |
| 668 | T | 73.5 | Confident | 61.9 | Low | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 168.5 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 113.5 | A530 W531 R564 | A530-T668 PolarHBondContact O-OG1 2.84Å; W531-T668 HydrophobicContact CD2-CG2 4.19Å; W531-T668 HydrophobicContact CE3-CG2 4.01Å; W531-T668 HydrophobicContact CH2-CG2 3.59Å; W531-T668 HydrophobicContact CZ2-CG2 3.78Å; W531-T668 HydrophobicContact CZ3-CG2 3.7Å; R564-T668 HydrophobicContact CB-CG2 4.15Å; R564-T668 WeakPolarHBondContact CB-O 3.36Å; R564-T668 PolarHBondContact O-N 3.28Å |
| 669 | G | 60.3 | Low | 59.2 | Low | 11 Ų | 11 | 53.5 Ų | 53.5 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 85.9 | 168.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G671 | G669-G671 PolarHBondContact O-N 2.69Š|
| 670 | P | 50.5 | Low | 56.4 | Low | 60 Ų | 60 | 56.7 Ų | 56.7 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | trans | -64.9 | 117.6 | -173 | 24.6 | -34.1 | 0 | 0 | 0 | 111.8 | K563 S672 | K563-P670 WeakPolarHBondContact CD-O 3.09Å; K563-P670 WeakPolarHBondContact CE-O 3.32Å; K563-P670 PolarHBondContact NZ-O 2.8Å; P670-S672 PolarHBondContact O-N 2.88Å | ||
| 671 | G | 42.2 | Very low | 53.9 | Low | 29 Ų | 29 | 60.2 Ų | 60.2 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | trans | -71 | 56.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | G669 S673 | G669-G671 PolarHBondContact O-N 2.69Å; G671-S673 PolarHBondContact O-N 3.05Å | ||
| 672 | S | 39.9 | Very low | 51.2 | Low | 31 Ų | 31 | 64.7 Ų | 64.7 | 22% | 0.217 | 37% | 0.368 | C | S | . | . | trans | -71.4 | 128.1 | 166 | 103.8 | 0 | 0 | 0 | 0 | 109.4 | K563 P670 V675 | K563-S672 WeakPolarHBondContact CE-O 3.39Å; K563-S672 WeakPolarHBondContact CE-OG 3.33Å; K563-S672 PolarHBondContact NZ-OG 2.67Å; P670-S672 PolarHBondContact O-N 2.88Å; S672-V675 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 673 | S | 36.7 | Very low | 48.5 | Very low | 76 Ų | 76 | 68.3 Ų | 68.3 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -65.6 | 144.5 | 170.8 | -147.8 | 0 | 0 | 0 | 0 | 109.4 | G671 | G671-S673 PolarHBondContact O-N 3.05Š|
| 674 | Y | 30.7 | Very low | 46.3 | Very low | 140 Ų | 140 | 72.9 Ų | 72.9 | 55% | 0.549 | 40% | 0.397 | S | S | . | . | trans | 46.7 | 85.1 | 173 | -59 | -81.9 | 0 | 0 | 0 | 117.5 | ||||
| 675 | V | 30.1 | Very low | 43.8 | Very low | 87 Ų | 87 | 74.2 Ų | 74.2 | 53% | 0.527 | 40% | 0.4 | S | S | . | . | trans | -117.3 | 87.1 | 156.8 | -177 | 0 | 0 | 0 | 0 | 108.9 | S672 N677 | S672-V675 WeakPolarHBondContact OG-CG2 3.49Å; V675-N677 PolarHBondContact O-N 3.41Å | ||
| 676 | T | 29.1 | Very low | 41.2 | Very low | 76 Ų | 76 | 82.7 Ų | 82.7 | 47% | 0.466 | 44% | 0.437 | S | S | . | . | trans | -89 | 85.3 | 171.2 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 677 | N | 29.6 | Very low | 38.8 | Very low | 86 Ų | 86 | 82.2 Ų | 82.2 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | trans | -167.3 | 128.8 | 151.5 | -99 | -18.6 | 0 | 0 | 0 | 110.5 | V675 T679 | V675-N677 PolarHBondContact O-N 3.41Å; N677-T679 VanDerWaalsContact C-N 3.29Å; N677-T679 PolarHBondContact O-N 3.18Å | ||
| 678 | F | 29.3 | Very low | 36.6 | Very low | 188 Ų | 188 | 86 Ų | 86 | 83% | 0.825 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2.5 | -159.4 | -136.8 | -101.2 | 0 | 0 | 0 | 115.2 | ||
| 679 | T | 29.6 | Very low | 35.2 | Very low | 125 Ų | 125 | 87.8 Ų | 87.8 | 77% | 0.767 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -4.8 | -166.3 | 43.4 | 0 | 0 | 0 | 0 | 116.1 | N677 | N677-T679 VanDerWaalsContact C-N 3.29Å; N677-T679 PolarHBondContact O-N 3.18Å |
| 680 | F | 30.3 | Very low | 34.8 | Very low | 91 Ų | 91 | 90.2 Ų | 90.2 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -103.1 | -13.5 | -176.7 | -102.4 | -106.4 | 0 | 0 | 0 | 116.1 | L682 K683 | F680-L682 VanDerWaalsContact C-N 3.31Å; F680-L682 PolarHBondContact O-N 3.44Å; F680-K683 HydrophobicContact CD1-CD 4.27Å; F680-K683 HydrophobicContact CE1-CD 4.03Å; F680-K683 WeakPolarHBondContact O-CB 3.18Å; F680-K683 PolarHBondContact O-N 3.21Å; F680-K683 VanDerWaalsContact O-N 3.15Å |
| 681 | S | 36 | Very low | 35.6 | Very low | 74 Ų | 74 | 89.9 Ų | 89.9 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -14.8 | -172.1 | -67.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 682 | L | 30.1 | Very low | 37.4 | Very low | 141 Ų | 141 | 90 Ų | 90 | 74% | 0.738 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -23.1 | 173.1 | -85.7 | 163.4 | 0 | 0 | 0 | 112.7 | F680 | F680-L682 VanDerWaalsContact C-N 3.31Å; F680-L682 PolarHBondContact O-N 3.44Å |
| 683 | K | 29.9 | Very low | 39.7 | Very low | 84 Ų | 84 | 88.5 Ų | 88.5 | 37% | 0.365 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -29.3 | -177.3 | -135.1 | -177.5 | -174.8 | -172.8 | 0 | 112.7 | F680 S687 E854 | F680-K683 HydrophobicContact CD1-CD 4.27Å; F680-K683 HydrophobicContact CE1-CD 4.03Å; F680-K683 WeakPolarHBondContact O-CB 3.18Å; F680-K683 PolarHBondContact O-N 3.21Å; F680-K683 VanDerWaalsContact O-N 3.15Å; K683-S687 WeakPolarHBondContact O-CB 3.42Å; K683-S687 PolarHBondContact O-N 3.36Å; K683-E854 IonicContact NZ-OE1 3.37Å; K683-E854 IonicContact NZ-OE2 2.71Å; K683-E854 PolarHBondContact NZ-OE2 2.55Å |
| 684 | F | 34.1 | Very low | 42 | Very low | 117 Ų | 117 | 85.2 Ų | 85.2 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -35.5 | -176.9 | -97.2 | -88.4 | 0 | 0 | 0 | 114.6 | D691 | F684-D691 WeakPolarHBondContact CE1-OD2 3.23Å; F684-D691 WeakPolarHBondContact CZ-OD2 2.98Å |
| 685 | L | 30.5 | Very low | 44.7 | Very low | 88 Ų | 88 | 78.6 Ų | 78.6 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -22.6 | -176.9 | -81.8 | -179.6 | 0 | 0 | 0 | 114.2 | R564 | R564-L685 VanDerWaalsContact NH2-CD1 3.31Š|
| 686 | F | 30.3 | Very low | 47 | Very low | 179 Ų | 179 | 74.9 Ų | 74.9 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -116.9 | 15.7 | -171.6 | -65.2 | -71 | 0 | 0 | 0 | 113.2 | ||
| 687 | S | 31.8 | Very low | 48.9 | Very low | 33 Ų | 33 | 71.7 Ų | 71.7 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | trans | -145.5 | 75.2 | 180 | -161.9 | 0 | 0 | 0 | 0 | 111.8 | K683 S689 K690 | K683-S687 WeakPolarHBondContact O-CB 3.42Å; K683-S687 PolarHBondContact O-N 3.36Å; S687-S689 PolarHBondContact O-N 3.25Å; S687-K690 VanDerWaalsContact OG-CD 3.28Å; S687-K690 WeakPolarHBondContact OG-CD 3.38Å; S687-K690 VanDerWaalsContact OG-CE 3.32Å; S687-K690 WeakPolarHBondContact OG-CE 3.46Å; S687-K690 WeakPolarHBondContact OG-CG 3.38Å | ||
| 688 | G | 33.6 | Very low | 50.7 | Low | 80 Ų | 80 | 74.1 Ų | 74.1 | 83% | 0.825 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 36.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 689 | S | 45.4 | Very low | 52.3 | Low | 47 Ų | 47 | 67.6 Ų | 67.6 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.8 | -15 | -171.5 | 153.5 | 0 | 0 | 0 | 0 | 114.5 | S687 I692 G868 | S687-S689 PolarHBondContact O-N 3.25Å; S689-I692 VanDerWaalsContact O-O 3.09Å; S689-G868 PolarHBondContact O-N 3.12Å |
| 690 | K | 50.3 | Low | 54.3 | Low | 63 Ų | 63 | 61.8 Ų | 61.8 | 27% | 0.274 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -89.9 | -28.3 | -170 | -76.3 | 176.8 | -173.3 | -112.4 | 0 | 115.6 | S687 I692 E854 | S687-K690 VanDerWaalsContact OG-CD 3.28Å; S687-K690 WeakPolarHBondContact OG-CD 3.38Å; S687-K690 VanDerWaalsContact OG-CE 3.32Å; S687-K690 WeakPolarHBondContact OG-CE 3.46Å; S687-K690 WeakPolarHBondContact OG-CG 3.38Å; K690-I692 VanDerWaalsContact C-N 3.33Å; K690-E854 IonicContact NZ-OE1 3.41Å; K690-E854 PolarHBondContact NZ-OE1 2.95Å; K690-E854 IonicContact NZ-OE2 3.36Å |
| 691 | D | 67.6 | Low | 56.9 | Low | 53 Ų | 53 | 59.2 Ų | 59.2 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -94.6 | 8.8 | 175.4 | -86.5 | 35.6 | 0 | 0 | 0 | 112.8 | F684 M842 F853 | F684-D691 WeakPolarHBondContact CE1-OD2 3.23Å; F684-D691 WeakPolarHBondContact CZ-OD2 2.98Å; D691-M842 WeakPolarHBondContact O-CA 3.26Å; D691-M842 WeakPolarHBondContact O-CG 3.4Å; D691-F853 VanDerWaalsContact O-CD2 3.27Å; D691-F853 WeakPolarHBondContact O-CD2 3.47Å; D691-F853 WeakPolarHBondContact O-CE2 3.5Å |
| 692 | I | 81.4 | Confident | 59.2 | Low | 31 Ų | 31 | 56.1 Ų | 56.1 | 16% | 0.159 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.3 | -179.3 | -52.5 | -179 | 0 | 0 | 0 | 107.7 | S689 K690 W784 L841 M842 G868 C869 | S689-I692 VanDerWaalsContact O-O 3.09Å; K690-I692 VanDerWaalsContact C-N 3.33Å; I692-W784 HydrophobicContact CG2-CH2 3.83Å; I692-W784 HydrophobicContact CG2-CZ2 3.96Å; I692-L841 WeakPolarHBondContact CA-O 3.31Å; I692-M842 HydrophobicContact CD1-SD 3.8Å; I692-M842 HydrophobicContact CG1-CB 4.21Å; I692-M842 HydrophobicContact CG1-CG 3.93Å; I692-M842 HydrophobicContact CG1-SD 3.66Å; I692-G868 WeakPolarHBondContact O-CA 3.33Å; I692-G868 PolarHBondContact O-N 3.38Å; I692-C869 HydrophobicContact CG2-CB 3.48Å; I692-C869 VanDerWaalsContact CG2-CB 3.48Å |
| 693 | V | 86.7 | Confident | 62 | Low | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.3 | 175.5 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | F695 C840 L841 F853 F857 L858 V865 K866 G868 | V693-F695 HydrophobicContact CG2-CD2 4.45Å; V693-F695 HydrophobicContact CG2-CE2 3.89Å; V693-C840 CarbonylContact O-C 3.54Å; V693-C840 WeakPolarHBondContact O-CA 3.33Å; V693-L841 HydrophobicContact CG2-CB 4.18Å; V693-L841 PolarHBondContact N-O 2.82Å; V693-L841 PolarHBondContact O-N 2.77Å; V693-F853 HydrophobicContact CB-CD2 4.33Å; V693-F853 HydrophobicContact CG1-CB 3.89Å; V693-F853 HydrophobicContact CG1-CD2 3.86Å; V693-F853 HydrophobicContact CG1-CG 4.16Å; V693-F853 HydrophobicContact CG2-CD2 3.72Å; V693-F853 HydrophobicContact CG2-CE2 3.79Å; V693-F853 HydrophobicContact CG2-CG 4.37Å; V693-F853 HydrophobicContact CG2-CZ 4.47Å; V693-F857 HydrophobicContact CG1-CB 4.24Å; V693-F857 HydrophobicContact CG2-CD1 3.87Å; V693-F857 HydrophobicContact CG2-CE1 4.24Å; V693-L858 HydrophobicContact CG1-CD1 4.27Å; V693-L858 HydrophobicContact CG1-CD2 4.01Å; V693-L858 HydrophobicContact CG1-CG 4.09Å; V693-V865 HydrophobicContact CB-CG1 3.97Å; V693-V865 HydrophobicContact CG1-CG1 4.37Å; V693-K866 CarbonylContact C-O 3.55Å; V693-K866 VanDerWaalsContact CA-O 3.29Å; V693-K866 WeakPolarHBondContact CA-O 3.41Å; V693-G868 CarbonylContact C-O 3.54Å |
| 694 | Q | 86.1 | Confident | 64.6 | Low | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.9 | 177.4 | -179.4 | 175.9 | -21.4 | 0 | 0 | 110.3 | G839 V865 K866 G868 Y888 | Q694-G839 CarbonylContact C-O 3.57Å; Q694-V865 WeakPolarHBondContact O-CA 3.28Å; Q694-K866 PolarHBondContact N-O 3.14Å; Q694-K866 PolarHBondContact O-N 3.4Å; Q694-G868 WeakPolarHBondContact CB-O 3.36Å; Q694-G868 PolarHBondContact N-O 3.15Å; Q694-G868 VanDerWaalsContact N-O 3.15Å; Q694-Y888 HydrophobicContact CG-CD1 4.15Å; Q694-Y888 HydrophobicContact CG-CE1 4.25Å |
| 695 | F | 86.6 | Confident | 66.9 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.4 | 170.7 | -74 | -106.1 | 0 | 0 | 0 | 109.6 | V693 A700 I702 I826 Y837 G839 L841 F857 G864 V865 | V693-F695 HydrophobicContact CG2-CD2 4.45Å; V693-F695 HydrophobicContact CG2-CE2 3.89Å; F695-A700 HydrophobicContact CD1-CB 3.77Å; F695-A700 HydrophobicContact CE1-CB 4.18Å; F695-I702 HydrophobicContact CE1-CD1 4.4Å; F695-I702 HydrophobicContact CZ-CD1 4.15Å; F695-I826 HydrophobicContact CE2-CG2 4.45Å; F695-I826 HydrophobicContact CZ-CG2 3.87Å; F695-Y837 HydrophobicContact CB-CD1 3.9Å; F695-Y837 WeakPolarHBondContact CB-O 3.37Å; F695-Y837 HydrophobicContact CD2-CD1 4.13Å; F695-Y837 HydrophobicContact CD2-CE1 4.49Å; F695-Y837 HydrophobicContact CG-CD1 4Å; F695-G839 PolarHBondContact N-O 3.03Å; F695-G839 PolarHBondContact O-N 2.81Å; F695-G839 VanDerWaalsContact O-N 3.09Å; F695-L841 HydrophobicContact CD2-CD1 4.31Å; F695-L841 HydrophobicContact CD2-CG 4.29Å; F695-L841 HydrophobicContact CE2-CD1 3.71Å; F695-L841 HydrophobicContact CE2-CG 4.09Å; F695-L841 HydrophobicContact CZ-CD1 4.32Å; F695-F857 HydrophobicContact CE2-CD1 4.25Å; F695-F857 HydrophobicContact CE2-CE1 4.12Å; F695-F857 AromaticContact CZ-CD1 3.99Å; F695-F857 HydrophobicContact CZ-CD1 3.99Å; F695-F857 AromaticContact CZ-CE1 3.83Å; F695-F857 HydrophobicContact CZ-CE1 3.83Å; F695-G864 WeakPolarHBondContact CA-O 3.27Å; F695-V865 HydrophobicContact CD1-CG2 3.83Å; F695-V865 HydrophobicContact CE1-CG2 3.74Å; F695-V865 HydrophobicContact CG-CG2 4.28Å; F695-V865 HydrophobicContact CZ-CG2 4.13Å |
| 696 | T | 78.5 | Confident | 69.6 | Low | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 14.4 | 177.5 | 78.1 | 0 | 0 | 0 | 0 | 112.6 | L698 F838 G864 K866 | T696-L698 PolarHBondContact O-N 2.85Å; T696-F838 VanDerWaalsContact O-CE1 3.26Å; T696-F838 WeakPolarHBondContact O-CE1 3.43Å; T696-G864 PolarHBondContact N-O 2.84Å; T696-G864 WeakPolarHBondContact OG1-CA 3.41Å; T696-G864 PolarHBondContact OG1-O 2.72Å; T696-K866 HydrophobicContact CG2-CD 4.35Å |
| 697 | G | 68.5 | Low | 72.4 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | trans | 62.6 | -3.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118 | G699 R836 | G697-G699 PolarHBondContact O-N 2.8Å; G697-R836 WeakPolarHBondContact O-CB 3.44Å; G697-R836 WeakPolarHBondContact O-CG 3.44Å | ||
| 698 | L | 67.4 | Low | 74.7 | Confident | 136 Ų | 136 | 35.7 Ų | 35.7 | 71% | 0.712 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -70.4 | 52.2 | -178.7 | -67.4 | 175.4 | 0 | 0 | 0 | 113.9 | T696 | T696-L698 PolarHBondContact O-N 2.85Š|
| 699 | G | 63 | Low | 77.1 | Confident | 52 Ų | 52 | 32 Ų | 32 | 54% | 0.536 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 83.5 | 6.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G697 I701 | G697-G699 PolarHBondContact O-N 2.8Å; G699-I701 PolarHBondContact O-N 3.48Å |
| 700 | A | 72.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -67.5 | 95.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F695 G827 V865 | F695-A700 HydrophobicContact CD1-CB 3.77Å; F695-A700 HydrophobicContact CE1-CB 4.18Å; A700-G827 CarbonylContact O-C 3.58Å; A700-V865 HydrophobicContact CB-CG2 3.56Å | ||
| 701 | I | 83.7 | Confident | 80.8 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.195 | 20% | 0.195 | C | C | . | . | trans | -115.7 | 125.7 | 162.4 | -50.5 | 179.1 | 0 | 0 | 0 | 108.9 | G699 R825 I826 D829 E830 | G699-I701 PolarHBondContact O-N 3.48Å; I701-R825 HydrophobicContact CG2-CB 3.79Å; I701-R825 HydrophobicContact CG2-CG 4.04Å; I701-I826 WeakPolarHBondContact CA-O 3.42Å; I701-D829 WeakPolarHBondContact CD1-O 3.12Å; I701-E830 HydrophobicContact CD1-CG 4.12Å | ||
| 702 | I | 85.8 | Confident | 82 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.6 | 177.4 | -70 | 171.5 | 0 | 0 | 0 | 110 | F695 I704 R825 I826 F857 T862 V865 | F695-I702 HydrophobicContact CE1-CD1 4.4Å; F695-I702 HydrophobicContact CZ-CD1 4.15Å; I702-I704 HydrophobicContact CG2-CG2 3.98Å; I702-R825 CarbonylContact O-C 3.51Å; I702-R825 WeakPolarHBondContact O-CA 3.28Å; I702-I826 PolarHBondContact N-O 3.08Å; I702-I826 PolarHBondContact O-N 3.38Å; I702-F857 HydrophobicContact CB-CD1 4.45Å; I702-F857 HydrophobicContact CB-CE1 4.5Å; I702-F857 HydrophobicContact CD1-CB 3.72Å; I702-F857 HydrophobicContact CD1-CD1 3.27Å; I702-F857 HydrophobicContact CD1-CE1 4.05Å; I702-F857 HydrophobicContact CD1-CG 3.65Å; I702-F857 HydrophobicContact CG1-CD1 4.43Å; I702-F857 HydrophobicContact CG2-CD1 4.25Å; I702-F857 HydrophobicContact CG2-CD2 4.32Å; I702-F857 HydrophobicContact CG2-CE1 4.32Å; I702-F857 HydrophobicContact CG2-CE2 4.37Å; I702-F857 HydrophobicContact CG2-CG 4.23Å; I702-F857 HydrophobicContact CG2-CZ 4.37Å; I702-T862 HydrophobicContact CD1-CG2 4.2Å; I702-T862 HydrophobicContact CG1-CG2 3.88Å; I702-V865 HydrophobicContact CD1-CB 4.23Å; I702-V865 HydrophobicContact CD1-CG1 4.16Å; I702-V865 HydrophobicContact CD1-CG2 3.69Å |
| 703 | Q | 87.3 | Confident | 82.5 | Confident | 93 Ų | 93 | 32.6 Ų | 32.6 | 44% | 0.435 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 111.5 | -179.7 | -70.4 | -171.8 | 4.2 | 0 | 0 | 112.1 | K823 M824 R825 E830 | Q703-K823 HydrophobicContact CB-CB 4.07Å; Q703-K823 HydrophobicContact CB-CD 3.8Å; Q703-M824 CarbonylContact C-O 3.51Å; Q703-M824 VanDerWaalsContact CA-O 3.3Å; Q703-M824 WeakPolarHBondContact CA-O 3.26Å; Q703-R825 HydrophobicContact CG-CG 4.19Å; Q703-E830 PolarHBondContact NE2-OE1 2.72Å |
| 704 | I | 86.2 | Confident | 82.7 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -177.1 | 178.9 | 66.8 | 166.5 | 0 | 0 | 0 | 112.4 | I702 K823 M824 I826 L844 L846 I851 N856 F857 | I702-I704 HydrophobicContact CG2-CG2 3.98Å; I704-K823 CarbonylContact O-C 3.58Å; I704-K823 WeakPolarHBondContact O-CA 3.41Å; I704-K823 WeakPolarHBondContact O-CB 3.38Å; I704-K823 WeakPolarHBondContact O-CG 3.45Å; I704-M824 HydrophobicContact CD1-SD 4.38Å; I704-M824 HydrophobicContact CG1-CB 4.05Å; I704-M824 HydrophobicContact CG1-CG 4.4Å; I704-M824 PolarHBondContact N-O 3.05Å; I704-M824 PolarHBondContact O-N 2.84Å; I704-I826 HydrophobicContact CD1-CD1 3.51Å; I704-I826 HydrophobicContact CG1-CD1 4.01Å; I704-L844 HydrophobicContact CD1-CD2 3.57Å; I704-L846 HydrophobicContact CD1-CD1 3.71Å; I704-I851 HydrophobicContact CD1-CG1 4.23Å; I704-I851 HydrophobicContact CD1-CG2 4.2Å; I704-N856 HydrophobicContact CG2-CB 4.07Å; I704-F857 HydrophobicContact CG2-CE2 4.04Å; I704-F857 HydrophobicContact CG2-CZ 4.49Å |
| 705 | A | 81.7 | Confident | 82.9 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 26% | 0.264 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -57.5 | 144.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 706 | P | 86 | Confident | 83 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 138.8 | 176.5 | 21.5 | -32.2 | 0 | 0 | 0 | 112.8 | F820 K822 | P706-F820 HydrophobicContact CB-CB 4.48Å; P706-K822 WeakPolarHBondContact CB-O 3.07Å |
| 707 | W | 89.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 137.1 | 166.3 | 172.1 | 52.8 | 0 | 0 | 0 | 111.3 | G709 S711 I712 F737 V789 L815 F820 M824 D847 | W707-G709 VanDerWaalsContact CE2-CA 3.43Å; W707-S711 VanDerWaalsContact CD1-O 3.29Å; W707-S711 PolarHBondContact NE1-O 2.69Å; W707-I712 HydrophobicContact CD2-CD1 3.77Å; W707-I712 HydrophobicContact CD2-CG1 3.9Å; W707-I712 HydrophobicContact CE3-CD1 3.99Å; W707-I712 HydrophobicContact CG-CD1 4.2Å; W707-I712 HydrophobicContact CG-CG1 4.05Å; W707-I712 HydrophobicContact CH2-CD1 4.32Å; W707-I712 HydrophobicContact CZ2-CD1 4.14Å; W707-I712 HydrophobicContact CZ2-CG1 4.05Å; W707-I712 HydrophobicContact CZ3-CD1 4.25Å; W707-F737 HydrophobicContact CE3-CD1 4.36Å; W707-F737 HydrophobicContact CE3-CG 4.44Å; W707-F737 HydrophobicContact CH2-CD2 4.24Å; W707-F737 HydrophobicContact CH2-CE1 4.41Å; W707-F737 HydrophobicContact CH2-CE2 4.08Å; W707-F737 HydrophobicContact CH2-CG 4.47Å; W707-F737 HydrophobicContact CH2-CZ 4.17Å; W707-F737 HydrophobicContact CZ3-CB 4.15Å; W707-F737 AromaticContact CZ3-CD1 3.81Å; W707-F737 HydrophobicContact CZ3-CD1 3.81Å; W707-F737 AromaticContact CZ3-CD2 3.81Å; W707-F737 HydrophobicContact CZ3-CD2 3.81Å; W707-F737 HydrophobicContact CZ3-CE1 4.09Å; W707-F737 HydrophobicContact CZ3-CE2 4.08Å; W707-F737 AromaticContact CZ3-CG 3.66Å; W707-F737 HydrophobicContact CZ3-CG 3.66Å; W707-F737 HydrophobicContact CZ3-CZ 4.21Å; W707-V789 HydrophobicContact CH2-CG1 4.08Å; W707-V789 HydrophobicContact CZ2-CG1 4.08Å; W707-L815 HydrophobicContact CH2-CD1 4.3Å; W707-L815 HydrophobicContact CH2-CD2 3.76Å; W707-L815 HydrophobicContact CZ2-CD2 4.28Å; W707-L815 HydrophobicContact CZ3-CD1 4.19Å; W707-L815 HydrophobicContact CZ3-CD2 4.41Å; W707-F820 HydrophobicContact CE3-CD2 4.01Å; W707-F820 AromaticContact CE3-CE2 3.75Å; W707-F820 HydrophobicContact CE3-CE2 3.75Å; W707-F820 AromaticContact CZ3-CE2 3.92Å; W707-F820 HydrophobicContact CZ3-CE2 3.92Å; W707-F820 WeakPolarHBondContact O-CB 3.26Å; W707-M824 HydrophobicContact CB-CE 3.33Å; W707-M824 HydrophobicContact CG-CE 4.25Å; W707-D847 VanDerWaalsContact CD1-OD2 3.3Å; W707-D847 PolarHBondContact NE1-OD1 3.4Å; W707-D847 VanDerWaalsContact NE1-OD1 3.07Å |
| 708 | K | 81.2 | Confident | 83.8 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 24% | 0.243 | 19% | 0.192 | C | C | . | . | trans | -98.5 | 17.2 | -175.6 | -57.4 | -61.4 | 173.9 | -173.1 | 0 | 113.6 | K710 D816 R817 F820 D847 | K708-K710 VanDerWaalsContact C-N 3.27Å; K708-K710 PolarHBondContact O-N 3.37Å; K708-D816 CarbonylContact O-C 3.53Å; K708-R817 HydrophobicContact CB-CB 4.01Å; K708-R817 HydrophobicContact CD-CB 4.36Å; K708-R817 VanDerWaalsContact CD-O 3.24Å; K708-R817 WeakPolarHBondContact CD-O 3.35Å; K708-R817 VanDerWaalsContact O-CA 3.27Å; K708-R817 WeakPolarHBondContact O-CA 3.41Å; K708-R817 PolarHBondContact O-N 2.96Å; K708-F820 PolarHBondContact NZ-O 3.18Å; K708-F820 VanDerWaalsContact NZ-O 3.11Å; K708-D847 WeakPolarHBondContact CA-OD2 3.07Å; K708-D847 WeakPolarHBondContact CB-OD2 3.23Å; K708-D847 PolarHBondContact N-OD2 2.87Å | ||
| 709 | G | 84 | Confident | 83.8 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 71.5 | 19.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W707 H791 | W707-G709 VanDerWaalsContact CE2-CA 3.43Å; G709-H791 WeakPolarHBondContact O-CB 3.47Å; G709-H791 PolarHBondContact O-ND1 3.21Å |
| 710 | K | 82.4 | Confident | 83.6 | Confident | 135 Ų | 135 | 27.7 Ų | 27.7 | 59% | 0.587 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -102.1 | -57.6 | 176.6 | -178.9 | -174.4 | 178.1 | -175.5 | 0 | 110.9 | K708 H791 D847 | K708-K710 VanDerWaalsContact C-N 3.27Å; K708-K710 PolarHBondContact O-N 3.37Å; K710-H791 PolarHBondContact O-N 2.67Å; K710-D847 WeakPolarHBondContact CA-OD1 3.16Å; K710-D847 HydrophobicContact CB-CB 4.23Å; K710-D847 VanDerWaalsContact CB-OD1 3.25Å; K710-D847 WeakPolarHBondContact CB-OD1 3.3Å; K710-D847 PolarHBondContact N-OD1 2.81Å |
| 711 | S | 90.3 | Very high | 82.9 | Confident | 28 Ų | 28 | 31.9 Ų | 31.9 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 156.2 | 176.6 | 60.6 | 0 | 0 | 0 | 0 | 115.6 | W707 V789 D847 | W707-S711 VanDerWaalsContact CD1-O 3.29Å; W707-S711 PolarHBondContact NE1-O 2.69Å; S711-V789 CarbonylContact C-O 3.6Å; S711-V789 WeakPolarHBondContact CA-O 3.4Å; S711-V789 VanDerWaalsContact CB-O 3.31Å; S711-V789 WeakPolarHBondContact CB-O 3.35Å; S711-D847 PolarHBondContact N-OD1 3.45Å; S711-D847 VanDerWaalsContact N-OD1 3.08Å; S711-D847 PolarHBondContact O-N 3.12Å; S711-D847 WeakPolarHBondContact OG-CA 3.21Å |
| 712 | I | 93.9 | Very high | 82.2 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.7 | 169.8 | -53.7 | 176.9 | 0 | 0 | 0 | 106.9 | W707 L727 F737 I739 T788 V789 L846 | W707-I712 HydrophobicContact CD2-CD1 3.77Å; W707-I712 HydrophobicContact CD2-CG1 3.9Å; W707-I712 HydrophobicContact CE3-CD1 3.99Å; W707-I712 HydrophobicContact CG-CD1 4.2Å; W707-I712 HydrophobicContact CG-CG1 4.05Å; W707-I712 HydrophobicContact CH2-CD1 4.32Å; W707-I712 HydrophobicContact CZ2-CD1 4.14Å; W707-I712 HydrophobicContact CZ2-CG1 4.05Å; W707-I712 HydrophobicContact CZ3-CD1 4.25Å; I712-L727 HydrophobicContact CD1-CD1 4.15Å; I712-L727 HydrophobicContact CG2-CD1 4.34Å; I712-F737 HydrophobicContact CD1-CD1 4.49Å; I712-F737 HydrophobicContact CD1-CE1 3.98Å; I712-I739 HydrophobicContact CD1-CD1 4.46Å; I712-T788 CarbonylContact O-C 3.59Å; I712-T788 VanDerWaalsContact O-CA 3.3Å; I712-T788 WeakPolarHBondContact O-CA 3.49Å; I712-V789 HydrophobicContact CB-CB 4Å; I712-V789 HydrophobicContact CB-CG2 4.21Å; I712-V789 HydrophobicContact CD1-CB 4.44Å; I712-V789 HydrophobicContact CD1-CG2 4.35Å; I712-V789 HydrophobicContact CG1-CB 4.27Å; I712-V789 PolarHBondContact N-O 2.57Å; I712-V789 PolarHBondContact O-N 2.92Å; I712-L846 HydrophobicContact CB-CD2 4.37Å; I712-L846 HydrophobicContact CG1-CD2 4.02Å; I712-L846 HydrophobicContact CG2-CD2 4.02Å |
| 713 | L | 91.5 | Very high | 81.8 | Confident | 42 Ų | 42 | 35.2 Ų | 35.2 | 22% | 0.22 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.1 | 163.4 | 163 | 67.6 | 0 | 0 | 0 | 107.3 | R786 I787 T788 L844 N845 | L713-R786 HydrophobicContact CD1-CG 3.52Å; L713-I787 WeakPolarHBondContact CA-O 3.2Å; L713-T788 HydrophobicContact CD1-CG2 3.87Å; L713-L844 CarbonylContact O-C 3.59Å; L713-L844 WeakPolarHBondContact O-CA 3.42Å; L713-N845 HydrophobicContact CB-CB 4.24Å; L713-N845 PolarHBondContact N-O 3.38Å; L713-N845 PolarHBondContact O-N 2.81Å |
| 714 | L | 91.1 | Very high | 81.7 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 138 | 178.3 | 174.5 | 60.9 | 0 | 0 | 0 | 109.3 | I726 I787 L841 L844 | L714-I726 HydrophobicContact CD2-CG2 3.55Å; L714-I787 PolarHBondContact N-O 3.28Å; L714-I787 PolarHBondContact O-N 2.89Å; L714-L841 HydrophobicContact CD1-CB 4.15Å; L714-L841 HydrophobicContact CD1-CD1 4.4Å; L714-L841 HydrophobicContact CD1-CD2 4.22Å; L714-L841 HydrophobicContact CD1-CG 4.49Å; L714-L841 HydrophobicContact CD2-CD1 4.46Å; L714-L841 HydrophobicContact CD2-CD2 4.19Å; L714-L841 HydrophobicContact CG-CD2 4.39Å; L714-L844 HydrophobicContact CB-CD1 4.09Å; L714-L844 HydrophobicContact CD1-CB 3.99Å; L714-L844 HydrophobicContact CD1-CD1 4.06Å; L714-L844 HydrophobicContact CG-CD1 4.45Å |
| 715 | W | 90 | Very high | 81.8 | Confident | 9 Ų | 9 | 31 Ų | 31 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141 | 166.7 | -64.8 | 77.6 | 0 | 0 | 0 | 110.5 | D495 L496 W784 H785 R786 L841 M842 | D495-W715 HydrophobicContact CB-CH2 3.79Å; D495-W715 HydrophobicContact CB-CZ2 3.92Å; L496-W715 HydrophobicContact CD2-CH2 4.18Å; L496-W715 HydrophobicContact CG-CH2 4.48Å; W715-W784 HydrophobicContact CB-CE3 4.04Å; W715-W784 HydrophobicContact CB-CZ3 4.49Å; W715-W784 HydrophobicContact CE3-CB 3.88Å; W715-W784 HydrophobicContact CZ3-CB 4.29Å; W715-H785 CarbonylContact C-O 3.5Å; W715-H785 VanDerWaalsContact CA-O 3.26Å; W715-H785 WeakPolarHBondContact CA-O 3.41Å; W715-R786 HydrophobicContact CD2-CB 3.76Å; W715-R786 HydrophobicContact CD2-CG 3.85Å; W715-R786 HydrophobicContact CE3-CB 3.66Å; W715-R786 HydrophobicContact CE3-CG 4.28Å; W715-R786 HydrophobicContact CG-CB 4.48Å; W715-R786 HydrophobicContact CG-CG 4.31Å; W715-R786 HydrophobicContact CH2-CB 4.04Å; W715-R786 HydrophobicContact CH2-CG 4.4Å; W715-R786 HydrophobicContact CZ2-CB 4.11Å; W715-R786 HydrophobicContact CZ2-CG 3.97Å; W715-R786 HydrophobicContact CZ3-CB 3.81Å; W715-L841 WeakPolarHBondContact O-CA 3.39Å; W715-M842 HydrophobicContact CB-CB 4.25Å; W715-M842 HydrophobicContact CB-CE 4.48Å; W715-M842 WeakPolarHBondContact CB-O 3.2Å; W715-M842 PolarHBondContact N-O 3.48Å; W715-M842 PolarHBondContact O-N 2.03Å |
| 716 | F | 89.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.6 | 179.1 | 79.8 | -81.2 | 0 | 0 | 0 | 111.8 | T718 I726 I741 I775 H785 I787 C840 L841 | F716-T718 HydrophobicContact CD2-CG2 4.12Å; F716-T718 HydrophobicContact CE2-CG2 4.06Å; F716-I726 HydrophobicContact CD2-CD1 4.37Å; F716-I726 HydrophobicContact CG-CD1 4.25Å; F716-I741 HydrophobicContact CD2-CD1 3.91Å; F716-I741 HydrophobicContact CE2-CD1 3.56Å; F716-I741 HydrophobicContact CZ-CD1 4.41Å; F716-I775 HydrophobicContact CE2-CD1 4.21Å; F716-I775 HydrophobicContact CZ-CD1 3.87Å; F716-I775 HydrophobicContact CZ-CG1 4.28Å; F716-I775 HydrophobicContact CZ-CG2 4.47Å; F716-H785 HydrophobicContact CD1-CB 3.83Å; F716-H785 WeakPolarHBondContact CD1-O 3.41Å; F716-H785 HydrophobicContact CE1-CB 3.35Å; F716-H785 HydrophobicContact CE2-CB 4.24Å; F716-H785 HydrophobicContact CG-CB 4.46Å; F716-H785 HydrophobicContact CZ-CB 3.6Å; F716-H785 PolarHBondContact N-O 2.7Å; F716-H785 PolarHBondContact O-N 2.86Å; F716-I787 HydrophobicContact CD1-CD1 3.52Å; F716-I787 HydrophobicContact CD1-CG1 3.65Å; F716-I787 HydrophobicContact CE1-CD1 3.58Å; F716-I787 HydrophobicContact CE1-CG1 3.54Å; F716-I787 HydrophobicContact CG-CD1 4.46Å; F716-C840 CarbonylContact C-O 3.59Å; F716-C840 VanDerWaalsContact CA-O 3.28Å; F716-C840 WeakPolarHBondContact CA-O 3.07Å; F716-L841 HydrophobicContact CB-CD2 3.64Å |
| 717 | R | 83 | Confident | 82.5 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 127.2 | 172.6 | 176.5 | 174.2 | 164.9 | 162.1 | -10.5 | 108 | E782 W784 Y837 G839 C840 N871 E886 Y888 | R717-E782 PolarHBondContact NH1-O 3.34Å; R717-W784 HydrophobicContact CB-CD2 3.94Å; R717-W784 HydrophobicContact CB-CE3 3.83Å; R717-W784 HydrophobicContact CB-CH2 4.41Å; R717-W784 HydrophobicContact CB-CZ2 4.48Å; R717-W784 HydrophobicContact CB-CZ3 4.08Å; R717-Y837 PolarHBondContact O-OH 3.3Å; R717-G839 CarbonylContact O-C 3.45Å; R717-G839 WeakPolarHBondContact O-CA 3.23Å; R717-C840 PolarHBondContact N-O 3.08Å; R717-C840 PolarHBondContact O-N 3.47Å; R717-N871 VanDerWaalsContact NH2-CG 3.28Å; R717-N871 PolarHBondContact NH2-OD1 2.57Å; R717-E886 IonicContact CZ-OE1 3.47Å; R717-E886 IonicContact CZ-OE2 2.88Å; R717-E886 IonicContact NE-OE1 3.96Å; R717-E886 IonicContact NE-OE2 2.65Å; R717-E886 PolarHBondContact NE-OE2 3.03Å; R717-E886 IonicContact NH2-OE1 3.89Å; R717-E886 PolarHBondContact NH2-OE1 3.09Å; R717-E886 IonicContact NH2-OE2 3.35Å; R717-E886 PolarHBondContact NH2-OE2 2.96Å; R717-Y888 PolarHBondContact NE-OH 2.77Å |
| 718 | T | 80.8 | Confident | 82.7 | Confident | 41 Ų | 41 | 28.1 Ų | 28.1 | 25% | 0.252 | 17% | 0.169 | S | C | . | . | trans | -148.1 | 151 | -176.1 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | F716 A720 I741 F838 | F716-T718 HydrophobicContact CD2-CG2 4.12Å; F716-T718 HydrophobicContact CE2-CG2 4.06Å; T718-A720 WeakPolarHBondContact OG1-CB 3.48Å; T718-A720 PolarHBondContact OG1-N 2.9Å; T718-I741 HydrophobicContact CG2-CD1 3.62Å; T718-F838 WeakPolarHBondContact CB-O 3.5Å; T718-F838 PolarHBondContact OG1-O 2.99Å | ||
| 719 | G | 67 | Low | 83.3 | Confident | 28 Ų | 28 | 25.4 Ų | 25.4 | 29% | 0.289 | 16% | 0.157 | S | C | . | . | trans | -125 | 21.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S721 E886 | G719-S721 PolarHBondContact O-N 3.28Å; G719-E886 WeakPolarHBondContact CA-O 2.97Å | ||
| 720 | A | 59.7 | Low | 83.7 | Confident | 16 Ų | 16 | 27.5 Ų | 27.5 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | trans | -55.5 | 130.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | T718 N743 F838 | T718-A720 WeakPolarHBondContact OG1-CB 3.48Å; T718-A720 PolarHBondContact OG1-N 2.9Å; A720-N743 PolarHBondContact O-ND2 3.01Å; A720-F838 HydrophobicContact CB-CB 4.25Å | ||
| 721 | S | 58.4 | Low | 83.8 | Confident | 91 Ų | 91 | 21.2 Ų | 21.2 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -84 | -19 | 176.2 | 54 | 0 | 0 | 0 | 0 | 112.9 | G719 N743 | G719-S721 PolarHBondContact O-N 3.28Å; S721-N743 PolarHBondContact O-ND2 3.48Å |
| 722 | S | 67.6 | Low | 83.3 | Confident | 54 Ų | 54 | 26.3 Ų | 26.3 | 38% | 0.378 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -102.5 | 163.6 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 723 | S | 76.8 | Confident | 82.7 | Confident | 62 Ų | 62 | 28.5 Ų | 28.5 | 43% | 0.434 | 17% | 0.171 | S | C | . | . | trans | -67.1 | 146.5 | 172 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | I741 | S723-I741 CarbonylContact C-O 3.4Å; S723-I741 WeakPolarHBondContact CA-O 3.34Å; S723-I741 VanDerWaalsContact CB-O 3.3Å; S723-I741 WeakPolarHBondContact CB-O 3.47Å | ||
| 724 | S | 85.2 | Confident | 82.3 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154.9 | -176.1 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | T740 I741 R836 | S724-T740 CarbonylContact O-C 3.53Å; S724-T740 WeakPolarHBondContact O-CA 3.31Å; S724-T740 VanDerWaalsContact O-CB 3.31Å; S724-T740 WeakPolarHBondContact O-CB 3.29Å; S724-I741 PolarHBondContact N-O 2.89Å; S724-I741 PolarHBondContact O-N 3.38Å; S724-R836 VanDerWaalsContact CB-O 3.22Å; S724-R836 WeakPolarHBondContact CB-O 3.23Å |
| 725 | V | 88.8 | Confident | 82.2 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.5 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | D728 M738 T740 G827 G828 S835 | V725-D728 HydrophobicContact CG1-CB 4.16Å; V725-M738 HydrophobicContact CG1-CE 3.93Å; V725-M738 HydrophobicContact CG2-CE 3.72Å; V725-T740 HydrophobicContact CB-CG2 4.32Å; V725-T740 HydrophobicContact CG1-CG2 4.42Å; V725-T740 HydrophobicContact CG2-CG2 3.78Å; V725-G827 CarbonylContact O-C 3.52Å; V725-G828 PolarHBondContact O-N 2.98Å; V725-S835 PolarHBondContact N-O 3.38Å |
| 726 | I | 90.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -45.8 | 173.3 | -53.3 | 178.2 | 0 | 0 | 0 | 109.6 | L714 F716 I739 I741 L753 I787 I826 G827 Y837 L841 | L714-I726 HydrophobicContact CD2-CG2 3.55Å; F716-I726 HydrophobicContact CD2-CD1 4.37Å; F716-I726 HydrophobicContact CG-CD1 4.25Å; I726-I739 HydrophobicContact CD1-CG2 4.25Å; I726-I739 PolarHBondContact N-O 2.76Å; I726-I741 HydrophobicContact CD1-CD1 3.95Å; I726-I741 HydrophobicContact CD1-CG1 3.91Å; I726-I741 HydrophobicContact CG1-CD1 4.29Å; I726-I741 HydrophobicContact CG1-CG1 4.21Å; I726-L753 HydrophobicContact CD1-CD1 4.12Å; I726-I787 HydrophobicContact CD1-CD1 3.8Å; I726-I826 WeakPolarHBondContact O-CA 3.39Å; I726-G827 PolarHBondContact O-N 3.07Å; I726-Y837 HydrophobicContact CG1-CD2 4.06Å; I726-Y837 HydrophobicContact CG1-CE2 4.15Å; I726-L841 HydrophobicContact CG2-CD1 4.42Å; I726-L841 HydrophobicContact CG2-CD2 4.07Å |
| 727 | L | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134 | -169.8 | 176.9 | 161.7 | 0 | 0 | 0 | 110.4 | I712 Q729 F737 M738 I739 M824 R825 | I712-L727 HydrophobicContact CD1-CD1 4.15Å; I712-L727 HydrophobicContact CG2-CD1 4.34Å; L727-Q729 HydrophobicContact CD2-CB 4.35Å; L727-F737 HydrophobicContact CD2-CD1 4.34Å; L727-M738 CarbonylContact O-C 3.5Å; L727-M738 VanDerWaalsContact O-CA 3.24Å; L727-M738 WeakPolarHBondContact O-CA 3.39Å; L727-I739 HydrophobicContact CB-CB 4.23Å; L727-I739 HydrophobicContact CB-CD1 4.45Å; L727-I739 HydrophobicContact CB-CG1 4.36Å; L727-I739 HydrophobicContact CD1-CD1 4.12Å; L727-I739 HydrophobicContact CD2-CD1 4.48Å; L727-I739 HydrophobicContact CD2-CG1 4.27Å; L727-I739 PolarHBondContact N-O 2.8Å; L727-I739 PolarHBondContact O-N 2.84Å; L727-M824 HydrophobicContact CD1-CE 3.71Å; L727-M824 HydrophobicContact CD1-CG 4.48Å; L727-M824 HydrophobicContact CD1-SD 3.47Å; L727-M824 WeakPolarHBondContact CD1-SD 3.36Å; L727-M824 HydrophobicContact CD2-CE 3.82Å; L727-M824 HydrophobicContact CD2-CG 4.48Å; L727-M824 HydrophobicContact CD2-SD 4.26Å; L727-M824 HydrophobicContact CG-CE 3.91Å; L727-M824 HydrophobicContact CG-CG 4.04Å; L727-M824 HydrophobicContact CG-SD 3.68Å; L727-R825 WeakPolarHBondContact CA-O 3.36Å |
| 728 | D | 93.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 114.2 | 173.3 | 162.3 | 48 | 0 | 0 | 0 | 110.5 | V725 Q730 M738 R825 D829 | V725-D728 HydrophobicContact CG1-CB 4.16Å; D728-Q730 VanDerWaalsContact OD1-CG 3.25Å; D728-Q730 WeakPolarHBondContact OD1-CG 3.3Å; D728-Q730 PolarHBondContact OD1-NE2 3.03Å; D728-Q730 VanDerWaalsContact OD1-NE2 3.16Å; D728-Q730 PolarHBondContact OD2-NE2 2.94Å; D728-M738 HydrophobicContact CB-CE 4.36Å; D728-M738 HydrophobicContact CB-CG 4.17Å; D728-R825 HydrophobicContact CB-CB 4.14Å; D728-R825 PolarHBondContact N-O 2.97Å; D728-R825 PolarHBondContact O-N 2.94Å; D728-R825 WeakPolarHBondContact OD2-CD 3.34Å; D728-R825 IonicContact OD2-CZ 3.74Å; D728-R825 IonicContact OD2-NE 3.94Å; D728-R825 IonicContact OD2-NH1 2.77Å; D728-R825 PolarHBondContact OD2-NH1 2.8Å; D728-D829 HydrophobicContact CB-CB 4.45Å |
| 729 | Q | 93.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.7 | 174.6 | 176.9 | 63.8 | 84 | 0 | 0 | 109.7 | L727 Y736 F737 F820 K822 M824 | L727-Q729 HydrophobicContact CD2-CB 4.35Å; Q729-Y736 CarbonylContact O-C 3.29Å; Q729-Y736 WeakPolarHBondContact O-CA 3.37Å; Q729-F737 WeakPolarHBondContact CB-O 3.26Å; Q729-F737 PolarHBondContact N-O 3.2Å; Q729-F737 PolarHBondContact O-N 3.07Å; Q729-F820 HydrophobicContact CG-CB 3.86Å; Q729-F820 HydrophobicContact CG-CD1 3.65Å; Q729-F820 HydrophobicContact CG-CD2 3.49Å; Q729-F820 VanDerWaalsContact CG-CD2 3.49Å; Q729-F820 HydrophobicContact CG-CE1 3.99Å; Q729-F820 HydrophobicContact CG-CE2 3.84Å; Q729-F820 HydrophobicContact CG-CG 3.38Å; Q729-F820 HydrophobicContact CG-CZ 4.08Å; Q729-K822 PolarHBondContact NE2-O 3.45Å; Q729-M824 HydrophobicContact CB-CE 3.97Å; Q729-M824 HydrophobicContact CG-CE 4.35Å |
| 730 | Q | 90.7 | Very high | 84.9 | Confident | 47 Ų | 47 | 29.5 Ų | 29.5 | 22% | 0.22 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 157.8 | 179.5 | -58.3 | -176 | 8.4 | 0 | 0 | 112.3 | D728 K822 | D728-Q730 VanDerWaalsContact OD1-CG 3.25Å; D728-Q730 WeakPolarHBondContact OD1-CG 3.3Å; D728-Q730 PolarHBondContact OD1-NE2 3.03Å; D728-Q730 VanDerWaalsContact OD1-NE2 3.16Å; D728-Q730 PolarHBondContact OD2-NE2 2.94Å; Q730-K822 HydrophobicContact CB-CD 3.97Å; Q730-K822 WeakPolarHBondContact O-CB 3.39Å |
| 731 | A | 86.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | trans | -106.8 | 169.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D733 R735 T819 F820 K822 | A731-D733 WeakPolarHBondContact CB-OD1 3.39Å; A731-R735 HydrophobicContact CB-CB 3.9Å; A731-R735 WeakPolarHBondContact CB-O 3.41Å; A731-R735 PolarHBondContact N-O 2.84Å; A731-T819 WeakPolarHBondContact CB-O 3.33Å; A731-F820 HydrophobicContact CB-CD1 3.95Å; A731-F820 HydrophobicContact CB-CE1 4.27Å; A731-K822 VanDerWaalsContact O-CE 3.23Å; A731-K822 WeakPolarHBondContact O-CE 3.03Å; A731-K822 PolarHBondContact O-NZ 3.03Å | ||
| 732 | H | 79.1 | Confident | 87.2 | Confident | 135 Ų | 135 | 28.1 Ų | 28.1 | 63% | 0.625 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -74.2 | -29.6 | 171.4 | -72.4 | -88.6 | 0 | 0 | 0 | 112.7 | G734 K822 | H732-G734 VanDerWaalsContact C-N 3.28Å; H732-G734 PolarHBondContact O-N 2.62Å; H732-K822 WeakPolarHBondContact NE2-CG 3.43Å |
| 733 | D | 81 | Confident | 87 | Confident | 48 Ų | 48 | 27.1 Ų | 27.1 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -80.2 | -5.1 | 178.8 | 61.1 | 18.3 | 0 | 0 | 0 | 114 | A731 R735 K762 | A731-D733 WeakPolarHBondContact CB-OD1 3.39Å; D733-R735 WeakPolarHBondContact OD1-CB 3.24Å; D733-R735 WeakPolarHBondContact OD1-CG 3.47Å; D733-R735 PolarHBondContact OD1-N 2.59Å; D733-R735 VanDerWaalsContact OD1-N 3.09Å; D733-R735 IonicContact OD1-NE 3.65Å; D733-R735 PolarHBondContact OD1-NE 3.09Å; D733-R735 IonicContact OD1-NH2 2.73Å; D733-R735 IonicContact OD2-CZ 3.22Å; D733-R735 VanDerWaalsContact OD2-CZ 3.25Å; D733-R735 IonicContact OD2-NE 3.61Å; D733-R735 PolarHBondContact OD2-NE 3.11Å; D733-R735 IonicContact OD2-NH2 2.67Å; D733-R735 PolarHBondContact OD2-NH2 3.23Å; D733-K762 WeakPolarHBondContact O-CB 3.36Å; D733-K762 WeakPolarHBondContact O-CD 3.42Å; D733-K762 VanDerWaalsContact O-CE 3.32Å; D733-K762 WeakPolarHBondContact O-CE 3.38Å; D733-K762 VanDerWaalsContact O-CG 3.24Å; D733-K762 WeakPolarHBondContact O-CG 3.2Å |
| 734 | G | 83.1 | Confident | 85.7 | Confident | 39 Ų | 39 | 25.4 Ų | 25.4 | 40% | 0.402 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 99.2 | -3.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | H732 | H732-G734 VanDerWaalsContact C-N 3.28Å; H732-G734 PolarHBondContact O-N 2.62Å |
| 735 | R | 88.9 | Confident | 83.6 | Confident | 14 Ų | 14 | 32.3 Ų | 32.3 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | trans | -60.7 | 148.8 | 166.4 | -72 | -179.9 | -69.1 | 153.2 | 4.8 | 110.9 | A731 D733 D758 L759 T760 Y814 T819 F820 | A731-R735 HydrophobicContact CB-CB 3.9Å; A731-R735 WeakPolarHBondContact CB-O 3.41Å; A731-R735 PolarHBondContact N-O 2.84Å; D733-R735 WeakPolarHBondContact OD1-CB 3.24Å; D733-R735 WeakPolarHBondContact OD1-CG 3.47Å; D733-R735 PolarHBondContact OD1-N 2.59Å; D733-R735 VanDerWaalsContact OD1-N 3.09Å; D733-R735 IonicContact OD1-NE 3.65Å; D733-R735 PolarHBondContact OD1-NE 3.09Å; D733-R735 IonicContact OD1-NH2 2.73Å; D733-R735 IonicContact OD2-CZ 3.22Å; D733-R735 VanDerWaalsContact OD2-CZ 3.25Å; D733-R735 IonicContact OD2-NE 3.61Å; D733-R735 PolarHBondContact OD2-NE 3.11Å; D733-R735 IonicContact OD2-NH2 2.67Å; D733-R735 PolarHBondContact OD2-NH2 3.23Å; R735-D758 CarbonylContact C-O 3.6Å; R735-D758 VanDerWaalsContact CA-O 3.23Å; R735-D758 WeakPolarHBondContact CA-O 3.45Å; R735-D758 VanDerWaalsContact CB-O 3.24Å; R735-D758 WeakPolarHBondContact CB-O 3.18Å; R735-D758 WeakPolarHBondContact CG-O 3.23Å; R735-L759 VanDerWaalsContact CD-C 3.45Å; R735-L759 VanDerWaalsContact CD-O 3.26Å; R735-L759 WeakPolarHBondContact CD-O 3.39Å; R735-T760 WeakPolarHBondContact CD-O 3.15Å; R735-T760 WeakPolarHBondContact CG-O 3.27Å; R735-Y814 PolarHBondContact NH1-O 2.91Å; R735-T819 PolarHBondContact NH1-OG1 3.15Å; R735-F820 HydrophobicContact CB-CE1 4.47Å | ||
| 736 | Y | 92.2 | Very high | 81.3 | Confident | 53 Ų | 53 | 36.2 Ų | 36.2 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 161.8 | 179.5 | 70.3 | -86.3 | 0 | 0 | 0 | 112.3 | Q729 M738 L756 F757 D758 K768 | Q729-Y736 CarbonylContact O-C 3.29Å; Q729-Y736 WeakPolarHBondContact O-CA 3.37Å; Y736-M738 HydrophobicContact CD2-CG 4.06Å; Y736-M738 HydrophobicContact CD2-SD 4.12Å; Y736-M738 HydrophobicContact CE2-SD 4.35Å; Y736-L756 HydrophobicContact CE2-CB 4.45Å; Y736-F757 VanDerWaalsContact O-CA 3.24Å; Y736-F757 WeakPolarHBondContact O-CA 3.17Å; Y736-F757 VanDerWaalsContact O-CB 3.27Å; Y736-F757 WeakPolarHBondContact O-CB 3.09Å; Y736-D758 HydrophobicContact CD1-CB 3.92Å; Y736-D758 HydrophobicContact CE1-CB 3.54Å; Y736-D758 PolarHBondContact N-O 2.86Å; Y736-D758 PolarHBondContact O-N 3.12Å; Y736-K768 WeakPolarHBondContact OH-CG 3.35Å |
| 737 | F | 94.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 123.2 | 172.7 | -175.4 | -80.9 | 0 | 0 | 0 | 108.9 | W707 I712 L727 Q729 I739 F755 L756 F757 V789 F798 F820 | W707-F737 HydrophobicContact CE3-CD1 4.36Å; W707-F737 HydrophobicContact CE3-CG 4.44Å; W707-F737 HydrophobicContact CH2-CD2 4.24Å; W707-F737 HydrophobicContact CH2-CE1 4.41Å; W707-F737 HydrophobicContact CH2-CE2 4.08Å; W707-F737 HydrophobicContact CH2-CG 4.47Å; W707-F737 HydrophobicContact CH2-CZ 4.17Å; W707-F737 HydrophobicContact CZ3-CB 4.15Å; W707-F737 AromaticContact CZ3-CD1 3.81Å; W707-F737 HydrophobicContact CZ3-CD1 3.81Å; W707-F737 AromaticContact CZ3-CD2 3.81Å; W707-F737 HydrophobicContact CZ3-CD2 3.81Å; W707-F737 HydrophobicContact CZ3-CE1 4.09Å; W707-F737 HydrophobicContact CZ3-CE2 4.08Å; W707-F737 AromaticContact CZ3-CG 3.66Å; W707-F737 HydrophobicContact CZ3-CG 3.66Å; W707-F737 HydrophobicContact CZ3-CZ 4.21Å; I712-F737 HydrophobicContact CD1-CD1 4.49Å; I712-F737 HydrophobicContact CD1-CE1 3.98Å; L727-F737 HydrophobicContact CD2-CD1 4.34Å; Q729-F737 WeakPolarHBondContact CB-O 3.26Å; Q729-F737 PolarHBondContact N-O 3.2Å; Q729-F737 PolarHBondContact O-N 3.07Å; F737-I739 HydrophobicContact CE1-CD1 4.18Å; F737-I739 HydrophobicContact CE1-CG1 3.86Å; F737-F755 HydrophobicContact CE1-CD1 4.49Å; F737-F755 HydrophobicContact CZ-CD1 4.12Å; F737-L756 CarbonylContact C-O 3.55Å; F737-F757 HydrophobicContact CB-CB 4.23Å; F737-F757 HydrophobicContact CD2-CB 3.69Å; F737-F757 HydrophobicContact CD2-CD1 4.16Å; F737-F757 HydrophobicContact CD2-CG 4.07Å; F737-F757 HydrophobicContact CE2-CD1 4.15Å; F737-F757 HydrophobicContact CE2-CG 4.48Å; F737-F757 HydrophobicContact CG-CB 4.27Å; F737-V789 HydrophobicContact CE1-CG2 4.45Å; F737-V789 HydrophobicContact CZ-CG1 3.98Å; F737-V789 HydrophobicContact CZ-CG2 4.06Å; F737-F798 AromaticContact CE2-CE1 3.81Å; F737-F798 HydrophobicContact CE2-CE1 3.81Å; F737-F798 HydrophobicContact CE2-CZ 4.41Å; F737-F798 AromaticContact CZ-CE1 3.8Å; F737-F798 HydrophobicContact CZ-CE1 3.8Å; F737-F820 HydrophobicContact CB-CE2 4.22Å; F737-F820 HydrophobicContact CB-CZ 3.87Å |
| 738 | M | 94.1 | Very high | 76.2 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 15% | 0.148 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.5 | -176.6 | -65 | 173.1 | 77.7 | 0 | 0 | 110.8 | V725 L727 D728 Y736 T740 F755 L756 D829 | V725-M738 HydrophobicContact CG1-CE 3.93Å; V725-M738 HydrophobicContact CG2-CE 3.72Å; L727-M738 CarbonylContact O-C 3.5Å; L727-M738 VanDerWaalsContact O-CA 3.24Å; L727-M738 WeakPolarHBondContact O-CA 3.39Å; D728-M738 HydrophobicContact CB-CE 4.36Å; D728-M738 HydrophobicContact CB-CG 4.17Å; Y736-M738 HydrophobicContact CD2-CG 4.06Å; Y736-M738 HydrophobicContact CD2-SD 4.12Å; Y736-M738 HydrophobicContact CE2-SD 4.35Å; M738-T740 HydrophobicContact CB-CG2 4.33Å; M738-F755 WeakPolarHBondContact O-CA 3.24Å; M738-L756 PolarHBondContact N-O 3.44Å; M738-L756 PolarHBondContact O-N 2.91Å; M738-D829 HydrophobicContact CE-CB 4.15Å |
| 739 | I | 94.7 | Very high | 73.8 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.3 | 171.3 | -52.3 | 179.9 | 0 | 0 | 0 | 107.9 | I712 I726 L727 F737 L753 R754 F755 I787 V789 | I712-I739 HydrophobicContact CD1-CD1 4.46Å; I726-I739 HydrophobicContact CD1-CG2 4.25Å; I726-I739 PolarHBondContact N-O 2.76Å; L727-I739 HydrophobicContact CB-CB 4.23Å; L727-I739 HydrophobicContact CB-CD1 4.45Å; L727-I739 HydrophobicContact CB-CG1 4.36Å; L727-I739 HydrophobicContact CD1-CD1 4.12Å; L727-I739 HydrophobicContact CD2-CD1 4.48Å; L727-I739 HydrophobicContact CD2-CG1 4.27Å; L727-I739 PolarHBondContact N-O 2.8Å; L727-I739 PolarHBondContact O-N 2.84Å; F737-I739 HydrophobicContact CE1-CD1 4.18Å; F737-I739 HydrophobicContact CE1-CG1 3.86Å; I739-L753 HydrophobicContact CG2-CD1 3.81Å; I739-L753 HydrophobicContact CG2-CG 4.36Å; I739-R754 WeakPolarHBondContact CA-O 3.3Å; I739-F755 HydrophobicContact CD1-CD1 4.21Å; I739-F755 HydrophobicContact CD1-CE1 4Å; I739-F755 HydrophobicContact CG1-CD1 3.86Å; I739-F755 HydrophobicContact CG1-CE1 4.09Å; I739-F755 HydrophobicContact CG2-CD1 4.38Å; I739-F755 HydrophobicContact CG2-CE1 4.18Å; I739-I787 HydrophobicContact CD1-CG2 4.3Å; I739-I787 HydrophobicContact CG2-CD1 4Å; I739-V789 HydrophobicContact CD1-CG2 4.44Å |
| 740 | T | 91.2 | Very high | 72.1 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.129 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.7 | -173.3 | 71.5 | 0 | 0 | 0 | 0 | 111.5 | S724 V725 M738 R754 L756 | S724-T740 CarbonylContact O-C 3.53Å; S724-T740 WeakPolarHBondContact O-CA 3.31Å; S724-T740 VanDerWaalsContact O-CB 3.31Å; S724-T740 WeakPolarHBondContact O-CB 3.29Å; V725-T740 HydrophobicContact CB-CG2 4.32Å; V725-T740 HydrophobicContact CG1-CG2 4.42Å; V725-T740 HydrophobicContact CG2-CG2 3.78Å; M738-T740 HydrophobicContact CB-CG2 4.33Å; T740-R754 PolarHBondContact N-O 3.33Å; T740-R754 PolarHBondContact O-N 2.84Å; T740-L756 HydrophobicContact CG2-CD1 3.67Å; T740-L756 WeakPolarHBondContact OG1-CD1 3.31Å |
| 741 | I | 86.6 | Confident | 71.1 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.8 | 169.7 | -55 | 177.5 | 0 | 0 | 0 | 108 | F716 T718 S723 S724 I726 K752 L753 I775 Y837 | F716-I741 HydrophobicContact CD2-CD1 3.91Å; F716-I741 HydrophobicContact CE2-CD1 3.56Å; F716-I741 HydrophobicContact CZ-CD1 4.41Å; T718-I741 HydrophobicContact CG2-CD1 3.62Å; S723-I741 CarbonylContact C-O 3.4Å; S723-I741 WeakPolarHBondContact CA-O 3.34Å; S723-I741 VanDerWaalsContact CB-O 3.3Å; S723-I741 WeakPolarHBondContact CB-O 3.47Å; S724-I741 PolarHBondContact N-O 2.89Å; S724-I741 PolarHBondContact O-N 3.38Å; I726-I741 HydrophobicContact CD1-CD1 3.95Å; I726-I741 HydrophobicContact CD1-CG1 3.91Å; I726-I741 HydrophobicContact CG1-CD1 4.29Å; I726-I741 HydrophobicContact CG1-CG1 4.21Å; I741-K752 WeakPolarHBondContact CA-O 3.22Å; I741-L753 HydrophobicContact CG1-CD1 4.16Å; I741-I775 HydrophobicContact CG2-CD1 4.12Å; I741-Y837 HydrophobicContact CD1-CE2 4.13Å |
| 742 | E | 79.3 | Confident | 71 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.9 | 165.1 | -176.8 | -179.4 | -102.9 | 0 | 0 | 109.1 | K752 R754 | E742-K752 PolarHBondContact N-O 3.48Å; E742-K752 PolarHBondContact O-N 2.77Å; E742-R754 VanDerWaalsContact CD-CZ 3.48Å; E742-R754 IonicContact OE1-CZ 3.18Å; E742-R754 IonicContact OE1-NH1 2.67Å; E742-R754 PolarHBondContact OE1-NH1 3.04Å; E742-R754 IonicContact OE1-NH2 3.41Å; E742-R754 IonicContact OE2-CZ 3.25Å; E742-R754 IonicContact OE2-NE 3.96Å; E742-R754 IonicContact OE2-NH1 3.97Å; E742-R754 PolarHBondContact OE2-NH1 3.3Å; E742-R754 IonicContact OE2-NH2 2.65Å; E742-R754 PolarHBondContact OE2-NH2 2.74Å |
| 743 | N | 63.7 | Low | 71.5 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 132.2 | 172.4 | -83.8 | 13.4 | 0 | 0 | 0 | 110.9 | A720 S721 S751 | A720-N743 PolarHBondContact O-ND2 3.01Å; S721-N743 PolarHBondContact O-ND2 3.48Å; N743-S751 VanDerWaalsContact OD1-CB 3.25Å; N743-S751 WeakPolarHBondContact OD1-CB 3.48Å; N743-S751 PolarHBondContact OD1-OG 3.34Å |
| 744 | G | 49 | Very low | 72 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 169 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V746 | G744-V746 PolarHBondContact O-N 3.03Š|
| 745 | N | 42.7 | Very low | 72.6 | Confident | 147 Ų | 147 | 53.3 Ų | 53.3 | 79% | 0.786 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 128.6 | 177.9 | -65.7 | -15.1 | 0 | 0 | 0 | 110.7 | L747 L748 | N745-L747 PolarHBondContact O-N 3.09Å; N745-L748 PolarHBondContact O-N 2.97Å |
| 746 | V | 39.7 | Very low | 72.8 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -23.2 | -164.5 | 174 | 0 | 0 | 0 | 0 | 116.1 | G744 | G744-V746 PolarHBondContact O-N 3.03Š|
| 747 | L | 38.7 | Very low | 72.9 | Confident | 140 Ų | 140 | 51 Ų | 51 | 73% | 0.733 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -19.9 | -169.1 | -71.8 | 168.5 | 0 | 0 | 0 | 116.3 | N745 | N745-L747 PolarHBondContact O-N 3.09Š|
| 748 | L | 37 | Very low | 72.8 | Confident | 165 Ų | 165 | 51.8 Ų | 51.8 | 86% | 0.864 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.9 | -16.5 | -171.7 | -73.9 | 176 | 0 | 0 | 0 | 117.5 | N745 | N745-L748 PolarHBondContact O-N 2.97Š|
| 749 | L | 42.9 | Very low | 72.5 | Confident | 124 Ų | 124 | 50.4 Ų | 50.4 | 65% | 0.649 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -118.8 | 113.9 | -178.4 | -67.1 | 171.4 | 0 | 0 | 0 | 109.2 | ||
| 750 | G | 57.8 | Low | 72.1 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 144.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 751 | S | 71.4 | Confident | 71.1 | Confident | 30 Ų | 30 | 55 Ų | 55 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 137.9 | 176.8 | -57 | 0 | 0 | 0 | 0 | 111.3 | N743 I775 | N743-S751 VanDerWaalsContact OD1-CB 3.25Å; N743-S751 WeakPolarHBondContact OD1-CB 3.48Å; N743-S751 PolarHBondContact OD1-OG 3.34Å; S751-I775 VanDerWaalsContact O-CB 3.31Å; S751-I775 WeakPolarHBondContact O-CB 3.12Å; S751-I775 WeakPolarHBondContact O-CG1 3.44Å; S751-I775 PolarHBondContact O-N 2.77Å |
| 752 | K | 82.6 | Confident | 69.9 | Low | 70 Ų | 70 | 62.5 Ų | 62.5 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.1 | 176.6 | -68.5 | -157.9 | 175.1 | -154.1 | 0 | 111.2 | I741 E742 E772 | I741-K752 WeakPolarHBondContact CA-O 3.22Å; E742-K752 PolarHBondContact N-O 3.48Å; E742-K752 PolarHBondContact O-N 2.77Å; K752-E772 HydrophobicContact CD-CB 4.42Å; K752-E772 VanDerWaalsContact CD-OE2 3.3Å; K752-E772 WeakPolarHBondContact CD-OE2 3.49Å; K752-E772 IonicContact NZ-OE2 3.27Å; K752-E772 PolarHBondContact NZ-OE2 3.18Å |
| 753 | L | 89.8 | Confident | 68.9 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 131.1 | 164.7 | -170.5 | 71.8 | 0 | 0 | 0 | 108.8 | I726 I739 I741 F755 E772 L773 I775 I787 C800 | I726-L753 HydrophobicContact CD1-CD1 4.12Å; I739-L753 HydrophobicContact CG2-CD1 3.81Å; I739-L753 HydrophobicContact CG2-CG 4.36Å; I741-L753 HydrophobicContact CG1-CD1 4.16Å; L753-F755 HydrophobicContact CD2-CE1 4.43Å; L753-F755 HydrophobicContact CD2-CE2 3.79Å; L753-F755 HydrophobicContact CD2-CZ 3.52Å; L753-F755 HydrophobicContact CG-CE2 4.18Å; L753-F755 HydrophobicContact CG-CZ 4.23Å; L753-E772 CarbonylContact O-C 3.54Å; L753-E772 WeakPolarHBondContact O-CA 3.31Å; L753-L773 PolarHBondContact N-O 2.85Å; L753-L773 PolarHBondContact O-N 2.93Å; L753-I775 HydrophobicContact CB-CD1 4.17Å; L753-I775 HydrophobicContact CB-CG1 3.96Å; L753-I787 HydrophobicContact CD1-CD1 3.79Å; L753-I787 HydrophobicContact CD2-CD1 3.8Å; L753-I787 HydrophobicContact CD2-CG1 3.75Å; L753-I787 HydrophobicContact CD2-CG2 4.31Å; L753-I787 HydrophobicContact CG-CD1 4.45Å; L753-C800 HydrophobicContact CD2-CB 3.84Å |
| 754 | R | 92 | Very high | 68.5 | Low | 50 Ų | 50 | 74 Ų | 74 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.8 | 176.2 | -73.5 | -172.6 | 167.6 | 142.6 | 10.8 | 112 | I739 T740 E742 L756 I770 V771 E772 | I739-R754 WeakPolarHBondContact CA-O 3.3Å; T740-R754 PolarHBondContact N-O 3.33Å; T740-R754 PolarHBondContact O-N 2.84Å; E742-R754 VanDerWaalsContact CD-CZ 3.48Å; E742-R754 IonicContact OE1-CZ 3.18Å; E742-R754 IonicContact OE1-NH1 2.67Å; E742-R754 PolarHBondContact OE1-NH1 3.04Å; E742-R754 IonicContact OE1-NH2 3.41Å; E742-R754 IonicContact OE2-CZ 3.25Å; E742-R754 IonicContact OE2-NE 3.96Å; E742-R754 IonicContact OE2-NH1 3.97Å; E742-R754 PolarHBondContact OE2-NH1 3.3Å; E742-R754 IonicContact OE2-NH2 2.65Å; E742-R754 PolarHBondContact OE2-NH2 2.74Å; R754-L756 HydrophobicContact CB-CD1 3.72Å; R754-L756 HydrophobicContact CB-CG 4.39Å; R754-I770 HydrophobicContact CG-CG2 4.27Å; R754-V771 WeakPolarHBondContact CA-O 3.44Å; R754-E772 HydrophobicContact CG-CG 4.16Å; R754-E772 IonicContact CZ-OE1 2.71Å; R754-E772 IonicContact NE-OE1 3.22Å; R754-E772 PolarHBondContact NE-OE1 2.88Å; R754-E772 IonicContact NH2-OE1 2.81Å; R754-E772 PolarHBondContact NH2-OE1 2.87Å |
| 755 | F | 95 | Very high | 69.1 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 114.1 | 166.7 | -53.4 | -94.3 | 0 | 0 | 0 | 108 | F737 M738 I739 L753 I770 V771 L773 I787 V789 F798 | F737-F755 HydrophobicContact CE1-CD1 4.49Å; F737-F755 HydrophobicContact CZ-CD1 4.12Å; M738-F755 WeakPolarHBondContact O-CA 3.24Å; I739-F755 HydrophobicContact CD1-CD1 4.21Å; I739-F755 HydrophobicContact CD1-CE1 4Å; I739-F755 HydrophobicContact CG1-CD1 3.86Å; I739-F755 HydrophobicContact CG1-CE1 4.09Å; I739-F755 HydrophobicContact CG2-CD1 4.38Å; I739-F755 HydrophobicContact CG2-CE1 4.18Å; L753-F755 HydrophobicContact CD2-CE1 4.43Å; L753-F755 HydrophobicContact CD2-CE2 3.79Å; L753-F755 HydrophobicContact CD2-CZ 3.52Å; L753-F755 HydrophobicContact CG-CE2 4.18Å; L753-F755 HydrophobicContact CG-CZ 4.23Å; F755-I770 WeakPolarHBondContact O-CA 3.16Å; F755-V771 HydrophobicContact CB-CB 4.37Å; F755-V771 HydrophobicContact CD2-CB 4.44Å; F755-V771 PolarHBondContact N-O 2.84Å; F755-V771 PolarHBondContact O-N 2.87Å; F755-L773 HydrophobicContact CE2-CD1 3.82Å; F755-L773 HydrophobicContact CE2-CG 4.17Å; F755-L773 HydrophobicContact CZ-CD1 4.4Å; F755-I787 HydrophobicContact CE1-CG2 3.84Å; F755-I787 HydrophobicContact CZ-CG2 3.9Å; F755-V789 HydrophobicContact CD1-CG2 4.14Å; F755-V789 HydrophobicContact CE1-CG2 3.73Å; F755-F798 HydrophobicContact CB-CD1 3.85Å; F755-F798 HydrophobicContact CB-CE1 3.7Å; F755-F798 HydrophobicContact CB-CZ 4.44Å; F755-F798 AromaticContact CD1-CD1 3.4Å; F755-F798 HydrophobicContact CD1-CD1 3.4Å; F755-F798 AromaticContact CD1-CE1 3.86Å; F755-F798 HydrophobicContact CD1-CE1 3.86Å; F755-F798 HydrophobicContact CD1-CG 4.41Å; F755-F798 HydrophobicContact CD2-CB 4.01Å; F755-F798 AromaticContact CD2-CD1 3.71Å; F755-F798 HydrophobicContact CD2-CD1 3.71Å; F755-F798 HydrophobicContact CD2-CE1 4.42Å; F755-F798 AromaticContact CD2-CG 3.99Å; F755-F798 HydrophobicContact CD2-CG 3.99Å; F755-F798 HydrophobicContact CE1-CB 4.47Å; F755-F798 AromaticContact CE1-CD1 3.79Å; F755-F798 HydrophobicContact CE1-CD1 3.79Å; F755-F798 HydrophobicContact CE2-CB 3.74Å; F755-F798 HydrophobicContact CE2-CD1 4.09Å; F755-F798 HydrophobicContact CE2-CG 4.22Å; F755-F798 AromaticContact CG-CD1 3.35Å; F755-F798 HydrophobicContact CG-CD1 3.35Å; F755-F798 AromaticContact CG-CE1 3.74Å; F755-F798 HydrophobicContact CG-CE1 3.74Å; F755-F798 HydrophobicContact CG-CG 4.1Å; F755-F798 HydrophobicContact CZ-CB 3.98Å; F755-F798 HydrophobicContact CZ-CD1 4.11Å; F755-F798 HydrophobicContact CZ-CG 4.49Å |
| 756 | L | 93.6 | Very high | 70.2 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.1 | -178.9 | -53.6 | 95.2 | 0 | 0 | 0 | 109.4 | Y736 F737 M738 T740 R754 K768 R769 I770 | Y736-L756 HydrophobicContact CE2-CB 4.45Å; F737-L756 CarbonylContact C-O 3.55Å; M738-L756 PolarHBondContact N-O 3.44Å; M738-L756 PolarHBondContact O-N 2.91Å; T740-L756 HydrophobicContact CG2-CD1 3.67Å; T740-L756 WeakPolarHBondContact OG1-CD1 3.31Å; R754-L756 HydrophobicContact CB-CD1 3.72Å; R754-L756 HydrophobicContact CB-CG 4.39Å; L756-K768 VanDerWaalsContact CD2-CE 3.48Å; L756-R769 WeakPolarHBondContact CA-O 3.26Å; L756-I770 HydrophobicContact CD2-CD1 4.31Å; L756-I770 HydrophobicContact CD2-CG1 4.16Å; L756-I770 HydrophobicContact CG-CG1 4.42Å |
| 757 | F | 94.4 | Very high | 72.1 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.5 | -176.1 | 57.1 | -89 | 0 | 0 | 0 | 113.2 | Y736 F737 L759 R769 V771 F798 Y807 | Y736-F757 VanDerWaalsContact O-CA 3.24Å; Y736-F757 WeakPolarHBondContact O-CA 3.17Å; Y736-F757 VanDerWaalsContact O-CB 3.27Å; Y736-F757 WeakPolarHBondContact O-CB 3.09Å; F737-F757 HydrophobicContact CB-CB 4.23Å; F737-F757 HydrophobicContact CD2-CB 3.69Å; F737-F757 HydrophobicContact CD2-CD1 4.16Å; F737-F757 HydrophobicContact CD2-CG 4.07Å; F737-F757 HydrophobicContact CE2-CD1 4.15Å; F737-F757 HydrophobicContact CE2-CG 4.48Å; F737-F757 HydrophobicContact CG-CB 4.27Å; F757-L759 HydrophobicContact CD2-CD1 3.76Å; F757-L759 HydrophobicContact CD2-CG 3.93Å; F757-L759 HydrophobicContact CE2-CD1 4.13Å; F757-R769 HydrophobicContact CD1-CB 4.2Å; F757-R769 HydrophobicContact CD2-CB 3.83Å; F757-R769 HydrophobicContact CD2-CG 4.08Å; F757-R769 HydrophobicContact CE1-CB 3.9Å; F757-R769 HydrophobicContact CE2-CB 3.52Å; F757-R769 HydrophobicContact CE2-CG 3.62Å; F757-R769 HydrophobicContact CG-CB 4.16Å; F757-R769 HydrophobicContact CZ-CB 3.56Å; F757-R769 HydrophobicContact CZ-CG 4.03Å; F757-R769 PolarHBondContact N-O 2.84Å; F757-R769 PolarHBondContact O-N 2.85Å; F757-V771 HydrophobicContact CE1-CG2 4.17Å; F757-F798 HydrophobicContact CD1-CZ 4.45Å; F757-F798 HydrophobicContact CE1-CE1 4.37Å; F757-F798 HydrophobicContact CE1-CE2 4.45Å; F757-F798 AromaticContact CE1-CZ 3.67Å; F757-F798 HydrophobicContact CE1-CZ 3.67Å; F757-F798 HydrophobicContact CZ-CZ 4.17Å; F757-Y807 AromaticContact CE2-CD1 3.83Å; F757-Y807 HydrophobicContact CE2-CD1 3.83Å; F757-Y807 AromaticContact CE2-CE1 3.62Å; F757-Y807 HydrophobicContact CE2-CE1 3.62Å; F757-Y807 HydrophobicContact CE2-CG 4.44Å; F757-Y807 AromaticContact CZ-CD1 3.62Å; F757-Y807 HydrophobicContact CZ-CD1 3.62Å; F757-Y807 HydrophobicContact CZ-CD2 4.19Å; F757-Y807 AromaticContact CZ-CE1 3.84Å; F757-Y807 HydrophobicContact CZ-CE1 3.84Å; F757-Y807 HydrophobicContact CZ-CE2 4.4Å; F757-Y807 AromaticContact CZ-CG 3.81Å; F757-Y807 HydrophobicContact CZ-CG 3.81Å |
| 758 | D | 92 | Very high | 74.3 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 9% | 0.086 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 118 | 161.6 | -174.1 | -6.1 | 0 | 0 | 0 | 108 | R735 Y736 T760 G766 K767 | R735-D758 CarbonylContact C-O 3.6Å; R735-D758 VanDerWaalsContact CA-O 3.23Å; R735-D758 WeakPolarHBondContact CA-O 3.45Å; R735-D758 VanDerWaalsContact CB-O 3.24Å; R735-D758 WeakPolarHBondContact CB-O 3.18Å; R735-D758 WeakPolarHBondContact CG-O 3.23Å; Y736-D758 HydrophobicContact CD1-CB 3.92Å; Y736-D758 HydrophobicContact CE1-CB 3.54Å; Y736-D758 PolarHBondContact N-O 2.86Å; Y736-D758 PolarHBondContact O-N 3.12Å; D758-T760 WeakPolarHBondContact OD1-CB 3.32Å; D758-T760 PolarHBondContact OD1-N 2.91Å; D758-T760 PolarHBondContact OD1-OG1 2.91Å; D758-G766 WeakPolarHBondContact OD2-CA 3.44Å; D758-K767 PolarHBondContact OD2-N 2.89Å |
| 759 | L | 89.4 | Confident | 76.9 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -112.6 | 7.3 | -177.5 | -63.7 | 170.6 | 0 | 0 | 0 | 112.1 | R735 F757 I796 L809 E813 Y814 L815 T819 F820 | R735-L759 VanDerWaalsContact CD-C 3.45Å; R735-L759 VanDerWaalsContact CD-O 3.26Å; R735-L759 WeakPolarHBondContact CD-O 3.39Å; F757-L759 HydrophobicContact CD2-CD1 3.76Å; F757-L759 HydrophobicContact CD2-CG 3.93Å; F757-L759 HydrophobicContact CE2-CD1 4.13Å; L759-I796 HydrophobicContact CD1-CD1 4.17Å; L759-L809 HydrophobicContact CD1-CD2 3.6Å; L759-E813 HydrophobicContact CB-CB 4.14Å; L759-E813 HydrophobicContact CB-CG 4.35Å; L759-E813 WeakPolarHBondContact O-CA 3.46Å; L759-Y814 PolarHBondContact O-N 3.3Å; L759-Y814 VanDerWaalsContact O-N 3.09Å; L759-L815 HydrophobicContact CD1-CB 4.21Å; L759-L815 HydrophobicContact CD1-CD2 4.5Å; L759-L815 HydrophobicContact CD2-CD1 4.08Å; L759-T819 HydrophobicContact CD2-CG2 4.25Å; L759-F820 HydrophobicContact CD2-CE2 4.45Å; L759-F820 HydrophobicContact CD2-CZ 3.9Å | ||
| 760 | T | 84.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 141.1 | 172.8 | 64 | 0 | 0 | 0 | 0 | 110.7 | R735 D758 E813 | R735-T760 WeakPolarHBondContact CD-O 3.15Å; R735-T760 WeakPolarHBondContact CG-O 3.27Å; D758-T760 WeakPolarHBondContact OD1-CB 3.32Å; D758-T760 PolarHBondContact OD1-N 2.91Å; D758-T760 PolarHBondContact OD1-OG1 2.91Å; T760-E813 HydrophobicContact CG2-CG 3.56Å |
| 761 | K | 71.4 | Confident | 81 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | trans | -75.4 | 137.1 | 173.5 | -72.1 | -176.8 | 178.3 | 177.8 | 0 | 109.8 | R763 D764 | K761-R763 PolarHBondContact O-N 2.75Å; K761-D764 PolarHBondContact O-N 2.73Å; K761-D764 VanDerWaalsContact O-N 3.16Å | ||
| 762 | K | 61.5 | Low | 81.9 | Confident | 159 Ų | 159 | 69.6 Ų | 69.6 | 69% | 0.691 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -14 | -170.3 | -124.3 | -172.7 | -158.2 | 173.2 | 0 | 118.9 | D733 D764 | D733-K762 WeakPolarHBondContact O-CB 3.36Å; D733-K762 WeakPolarHBondContact O-CD 3.42Å; D733-K762 VanDerWaalsContact O-CE 3.32Å; D733-K762 WeakPolarHBondContact O-CE 3.38Å; D733-K762 VanDerWaalsContact O-CG 3.24Å; D733-K762 WeakPolarHBondContact O-CG 3.2Å; K762-D764 PolarHBondContact O-N 2.91Å |
| 763 | R | 57.8 | Low | 82.2 | Confident | 254 Ų | 254 | 66.7 Ų | 66.7 | 96% | 0.958 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.5 | 175.8 | -79.2 | -172.5 | 173.7 | -179.3 | -1.9 | 114 | K761 | K761-R763 PolarHBondContact O-N 2.75Š|
| 764 | D | 55.2 | Low | 81.9 | Confident | 96 Ų | 96 | 70.9 Ų | 70.9 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -123.3 | 37.4 | -164.4 | -153.2 | 28.7 | 0 | 0 | 0 | 114.1 | K761 K762 S812 | K761-D764 PolarHBondContact O-N 2.73Å; K761-D764 VanDerWaalsContact O-N 3.16Å; K762-D764 PolarHBondContact O-N 2.91Å; D764-S812 WeakPolarHBondContact OD2-CB 3.43Å; D764-S812 PolarHBondContact OD2-OG 2.91Å |
| 765 | N | 60.8 | Low | 81.2 | Confident | 147 Ų | 147 | 69.1 Ų | 69.1 | 79% | 0.786 | 33% | 0.331 | S | S | * | . | trans | 46.6 | 85.3 | -177.3 | -82 | -3.9 | 0 | 0 | 0 | 114 | K767 | N765-K767 PolarHBondContact O-N 3.38Š| ||
| 766 | G | 65.9 | Low | 79.9 | Confident | 50 Ų | 50 | 73 Ų | 73 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | trans | -39.2 | 127.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D758 | D758-G766 WeakPolarHBondContact OD2-CA 3.44Š| ||
| 767 | K | 79.2 | Confident | 78.1 | Confident | 132 Ų | 132 | 77.4 Ų | 77.4 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | trans | -124.7 | 88.6 | -162.3 | -116.8 | -176.5 | -170.9 | 178.7 | 0 | 109.8 | D758 N765 R769 | D758-K767 PolarHBondContact OD2-N 2.89Å; N765-K767 PolarHBondContact O-N 3.38Å; K767-R769 PolarHBondContact O-N 2.89Å; K767-R769 PolarHBondContact O-NH1 2.88Å | ||
| 768 | K | 85.8 | Confident | 76 | Confident | 119 Ų | 119 | 81.7 Ų | 81.7 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | trans | -49 | 135 | 177.1 | -177.6 | 170.3 | -175.8 | -178.3 | 0 | 112 | Y736 L756 I770 | Y736-K768 WeakPolarHBondContact OH-CG 3.35Å; L756-K768 VanDerWaalsContact CD2-CE 3.48Å; K768-I770 HydrophobicContact CG-CG1 4.42Å | ||
| 769 | R | 92.7 | Very high | 74 | Confident | 54 Ų | 54 | 88.4 Ų | 88.4 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.1 | 168.3 | -62.8 | -65.3 | 174.6 | -82.1 | -24.6 | 109.7 | L756 F757 K767 Y807 E813 | L756-R769 WeakPolarHBondContact CA-O 3.26Å; F757-R769 HydrophobicContact CD1-CB 4.2Å; F757-R769 HydrophobicContact CD2-CB 3.83Å; F757-R769 HydrophobicContact CD2-CG 4.08Å; F757-R769 HydrophobicContact CE1-CB 3.9Å; F757-R769 HydrophobicContact CE2-CB 3.52Å; F757-R769 HydrophobicContact CE2-CG 3.62Å; F757-R769 HydrophobicContact CG-CB 4.16Å; F757-R769 HydrophobicContact CZ-CB 3.56Å; F757-R769 HydrophobicContact CZ-CG 4.03Å; F757-R769 PolarHBondContact N-O 2.84Å; F757-R769 PolarHBondContact O-N 2.85Å; K767-R769 PolarHBondContact O-N 2.89Å; K767-R769 PolarHBondContact O-NH1 2.88Å; R769-Y807 WeakPolarHBondContact CD-OH 3.33Å; R769-Y807 HydrophobicContact CG-CE2 4.12Å; R769-Y807 PolarHBondContact NE-OH 3.27Å; R769-E813 IonicContact CZ-OE1 3.88Å; R769-E813 IonicContact NE-OE1 2.66Å; R769-E813 PolarHBondContact NE-OE1 2.85Å; R769-E813 IonicContact NH2-OE1 3.96Å; R769-E813 PolarHBondContact NH2-OE1 3.17Å |
| 770 | I | 92.1 | Very high | 72.2 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 44% | 0.436 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127 | 174.1 | -53.4 | 180 | 0 | 0 | 0 | 106.4 | R754 F755 L756 K768 E772 | R754-I770 HydrophobicContact CG-CG2 4.27Å; F755-I770 WeakPolarHBondContact O-CA 3.16Å; L756-I770 HydrophobicContact CD2-CD1 4.31Å; L756-I770 HydrophobicContact CD2-CG1 4.16Å; L756-I770 HydrophobicContact CG-CG1 4.42Å; K768-I770 HydrophobicContact CG-CG1 4.42Å; I770-E772 HydrophobicContact CG2-CG 4.2Å |
| 771 | V | 92.8 | Very high | 70.5 | Confident | 18 Ų | 18 | 95 Ų | 95 | 11% | 0.109 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.3 | 167.3 | 178 | 0 | 0 | 0 | 0 | 106.9 | R754 F755 F757 F798 A805 | R754-V771 WeakPolarHBondContact CA-O 3.44Å; F755-V771 HydrophobicContact CB-CB 4.37Å; F755-V771 HydrophobicContact CD2-CB 4.44Å; F755-V771 PolarHBondContact N-O 2.84Å; F755-V771 PolarHBondContact O-N 2.87Å; F757-V771 HydrophobicContact CE1-CG2 4.17Å; V771-F798 HydrophobicContact CB-CD2 4.33Å; V771-F798 HydrophobicContact CB-CE2 4.34Å; V771-F798 HydrophobicContact CG1-CD2 3.92Å; V771-F798 HydrophobicContact CG1-CE2 4.37Å; V771-F798 HydrophobicContact CG1-CG 4.35Å; V771-F798 HydrophobicContact CG2-CD2 4.28Å; V771-F798 HydrophobicContact CG2-CE2 3.88Å; V771-F798 HydrophobicContact CG2-CZ 4.37Å; V771-A805 HydrophobicContact CG1-CB 3.54Å |
| 772 | E | 91.3 | Very high | 69.9 | Low | 73 Ų | 73 | 92.4 Ų | 92.4 | 34% | 0.341 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.9 | 178.7 | -46 | -161.2 | 139.8 | 0 | 0 | 110.5 | K752 L753 R754 I770 | K752-E772 HydrophobicContact CD-CB 4.42Å; K752-E772 VanDerWaalsContact CD-OE2 3.3Å; K752-E772 WeakPolarHBondContact CD-OE2 3.49Å; K752-E772 IonicContact NZ-OE2 3.27Å; K752-E772 PolarHBondContact NZ-OE2 3.18Å; L753-E772 CarbonylContact O-C 3.54Å; L753-E772 WeakPolarHBondContact O-CA 3.31Å; R754-E772 HydrophobicContact CG-CG 4.16Å; R754-E772 IonicContact CZ-OE1 2.71Å; R754-E772 IonicContact NE-OE1 3.22Å; R754-E772 PolarHBondContact NE-OE1 2.88Å; R754-E772 IonicContact NH2-OE1 2.81Å; R754-E772 PolarHBondContact NH2-OE1 2.87Å; I770-E772 HydrophobicContact CG2-CG 4.2Å |
| 773 | L | 89.6 | Confident | 70.4 | Confident | 8 Ų | 8 | 87.5 Ų | 87.5 | 4% | 0.042 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.6 | 167.1 | -64.3 | -179.4 | 0 | 0 | 0 | 109.1 | L753 F755 F798 C800 A805 | L753-L773 PolarHBondContact N-O 2.85Å; L753-L773 PolarHBondContact O-N 2.93Å; F755-L773 HydrophobicContact CE2-CD1 3.82Å; F755-L773 HydrophobicContact CE2-CG 4.17Å; F755-L773 HydrophobicContact CZ-CD1 4.4Å; L773-F798 HydrophobicContact CD1-CB 4.21Å; L773-C800 HydrophobicContact CB-CB 4.13Å; L773-C800 HydrophobicContact CD1-CB 3.87Å; L773-A805 HydrophobicContact CD2-CB 3.68Å |
| 774 | D | 82.1 | Confident | 71.5 | Confident | 89 Ų | 89 | 78 Ų | 78 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.3 | 173.1 | -55.4 | -48 | 0 | 0 | 0 | 110.3 | Q776 | D774-Q776 PolarHBondContact O-N 2.7Å |
| 775 | I | 78.1 | Confident | 73 | Confident | 12 Ų | 12 | 74 Ų | 74 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | trans | -80.4 | 113 | 171.1 | -59.4 | 169 | 0 | 0 | 0 | 106.6 | F716 I741 S751 L753 N777 | F716-I775 HydrophobicContact CE2-CD1 4.21Å; F716-I775 HydrophobicContact CZ-CD1 3.87Å; F716-I775 HydrophobicContact CZ-CG1 4.28Å; F716-I775 HydrophobicContact CZ-CG2 4.47Å; I741-I775 HydrophobicContact CG2-CD1 4.12Å; S751-I775 VanDerWaalsContact O-CB 3.31Å; S751-I775 WeakPolarHBondContact O-CB 3.12Å; S751-I775 WeakPolarHBondContact O-CG1 3.44Å; S751-I775 PolarHBondContact O-N 2.77Å; L753-I775 HydrophobicContact CB-CD1 4.17Å; L753-I775 HydrophobicContact CB-CG1 3.96Å; I775-N777 VanDerWaalsContact C-N 3.26Å; I775-N777 PolarHBondContact O-N 2.89Å | ||
| 776 | Q | 67.2 | Low | 74.4 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | trans | -72.7 | 82.1 | -179.1 | -72.1 | -168.6 | -8.4 | 0 | 0 | 111 | D774 N778 | D774-Q776 PolarHBondContact O-N 2.7Å; Q776-N778 PolarHBondContact O-N 2.84Å | ||
| 777 | N | 56.5 | Low | 75.7 | Confident | 112 Ų | 112 | 66 Ų | 66 | 60% | 0.599 | 32% | 0.32 | S | S | * | . | trans | -73.8 | 64.7 | 172.8 | -154.7 | 12.8 | 0 | 0 | 0 | 110.1 | I775 | I775-N777 VanDerWaalsContact C-N 3.26Å; I775-N777 PolarHBondContact O-N 2.89Å | ||
| 778 | N | 49.1 | Very low | 76.3 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | trans | -57.9 | 160.9 | 166.2 | -74.2 | -1.2 | 0 | 0 | 0 | 109.1 | Q776 V780 R783 | Q776-N778 PolarHBondContact O-N 2.84Å; N778-V780 PolarHBondContact O-N 3.47Å; N778-R783 PolarHBondContact ND2-NH1 2.81Å | ||
| 779 | E | 49.7 | Very low | 76.8 | Confident | 158 Ų | 158 | 54.7 Ų | 54.7 | 74% | 0.738 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -62.1 | 5.8 | -163.5 | -49.8 | -169.9 | 99.2 | 0 | 0 | 117.7 | P781 K883 | E779-P781 WeakPolarHBondContact O-CD 3.46Å; E779-K883 IonicContact OE1-NZ 3.14Å; E779-K883 PolarHBondContact OE1-NZ 2.72Å |
| 780 | V | 51.6 | Low | 76.8 | Confident | 89 Ų | 89 | 54 Ų | 54 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | trans | -103 | 101 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | N778 E782 R783 | N778-V780 PolarHBondContact O-N 3.47Å; V780-E782 HydrophobicContact CG1-CB 4.43Å; V780-E782 PolarHBondContact O-N 3.39Å; V780-E782 VanDerWaalsContact O-N 3.1Å; V780-R783 WeakPolarHBondContact O-CB 3.39Å; V780-R783 PolarHBondContact O-N 2.84Å | ||
| 781 | P | 51.1 | Low | 76.8 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13 | -176.5 | 28.3 | -36.5 | 0 | 0 | 0 | 113.8 | E779 R783 C884 | E779-P781 WeakPolarHBondContact O-CD 3.46Å; P781-R783 VanDerWaalsContact C-N 3.29Å; P781-R783 PolarHBondContact O-N 2.89Å; P781-C884 WeakPolarHBondContact CB-O 3.03Å; P781-C884 VanDerWaalsContact CG-O 3.24Å; P781-C884 WeakPolarHBondContact CG-O 3Å |
| 782 | E | 58.5 | Low | 76.4 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 10.6 | -178.3 | -56.1 | -165.2 | 176.8 | 0 | 0 | 113.8 | R717 V780 N871 C873 H874 | R717-E782 PolarHBondContact NH1-O 3.34Å; V780-E782 HydrophobicContact CG1-CB 4.43Å; V780-E782 PolarHBondContact O-N 3.39Å; V780-E782 VanDerWaalsContact O-N 3.1Å; E782-N871 PolarHBondContact OE1-ND2 2.61Å; E782-N871 PolarHBondContact OE1-OD1 2.75Å; E782-N871 PolarHBondContact OE2-ND2 3.33Å; E782-C873 HydrophobicContact CG-CB 4.26Å; E782-C873 VanDerWaalsContact OE1-C 3.29Å; E782-H874 WeakPolarHBondContact OE1-CA 2.98Å; E782-H874 PolarHBondContact OE1-N 2.63Å |
| 783 | R | 71.7 | Confident | 75.5 | Confident | 56 Ų | 56 | 52 Ų | 52 | 21% | 0.211 | 26% | 0.262 | C | S | . | . | trans | -75.2 | 133 | -171.8 | -168.9 | 172.8 | -170.1 | -177.7 | 7.3 | 112.6 | L496 N778 V780 P781 | L496-R783 PolarHBondContact O-NH2 2.7Å; N778-R783 PolarHBondContact ND2-NH1 2.81Å; V780-R783 WeakPolarHBondContact O-CB 3.39Å; V780-R783 PolarHBondContact O-N 2.84Å; P781-R783 VanDerWaalsContact C-N 3.29Å; P781-R783 PolarHBondContact O-N 2.89Å | ||
| 784 | W | 81.3 | Confident | 75.1 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | trans | -82.8 | 134.1 | 164.3 | -76.5 | 91 | 0 | 0 | 0 | 110.2 | I692 W715 R717 C840 M842 C869 | I692-W784 HydrophobicContact CG2-CH2 3.83Å; I692-W784 HydrophobicContact CG2-CZ2 3.96Å; W715-W784 HydrophobicContact CB-CE3 4.04Å; W715-W784 HydrophobicContact CB-CZ3 4.49Å; W715-W784 HydrophobicContact CE3-CB 3.88Å; W715-W784 HydrophobicContact CZ3-CB 4.29Å; R717-W784 HydrophobicContact CB-CD2 3.94Å; R717-W784 HydrophobicContact CB-CE3 3.83Å; R717-W784 HydrophobicContact CB-CH2 4.41Å; R717-W784 HydrophobicContact CB-CZ2 4.48Å; R717-W784 HydrophobicContact CB-CZ3 4.08Å; W784-C840 HydrophobicContact CH2-CB 3.44Å; W784-C840 VanDerWaalsContact CH2-CB 3.44Å; W784-C840 HydrophobicContact CZ2-CB 4.06Å; W784-C840 HydrophobicContact CZ3-CB 4.13Å; W784-C840 WeakPolarHBondContact CZ3-O 3.43Å; W784-M842 HydrophobicContact CD2-CE 4.38Å; W784-M842 HydrophobicContact CE3-CB 4.36Å; W784-M842 HydrophobicContact CH2-CB 3.85Å; W784-M842 HydrophobicContact CZ3-CB 3.74Å; W784-C869 HydrophobicContact CZ2-CB 4.17Å | ||
| 785 | H | 86.8 | Confident | 75.5 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.9 | 177.5 | -64.7 | -72.2 | 0 | 0 | 0 | 110.7 | W715 F716 D801 | W715-H785 CarbonylContact C-O 3.5Å; W715-H785 VanDerWaalsContact CA-O 3.26Å; W715-H785 WeakPolarHBondContact CA-O 3.41Å; F716-H785 HydrophobicContact CD1-CB 3.83Å; F716-H785 WeakPolarHBondContact CD1-O 3.41Å; F716-H785 HydrophobicContact CE1-CB 3.35Å; F716-H785 HydrophobicContact CE2-CB 4.24Å; F716-H785 HydrophobicContact CG-CB 4.46Å; F716-H785 HydrophobicContact CZ-CB 3.6Å; F716-H785 PolarHBondContact N-O 2.7Å; F716-H785 PolarHBondContact O-N 2.86Å; H785-D801 VanDerWaalsContact CA-OD1 3.29Å; H785-D801 WeakPolarHBondContact CA-OD1 3.48Å; H785-D801 IonicContact CE1-OD2 2.81Å; H785-D801 IonicContact CG-OD2 2.64Å; H785-D801 IonicContact ND1-OD1 3.84Å; H785-D801 IonicContact ND1-OD2 3.71Å; H785-D801 PolarHBondContact ND1-OD2 3.46Å |
| 786 | R | 89.8 | Confident | 76.3 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.1 | -178.2 | -167.7 | -178.2 | 71.8 | 179.3 | 1.1 | 111.4 | E487 L713 W715 T788 C800 D801 | E487-R786 VanDerWaalsContact CD-NH1 3.32Å; E487-R786 IonicContact OE1-CZ 2.71Å; E487-R786 IonicContact OE1-NH1 2.63Å; E487-R786 PolarHBondContact OE1-NH1 2.8Å; E487-R786 IonicContact OE1-NH2 2.9Å; E487-R786 PolarHBondContact OE1-NH2 3.12Å; E487-R786 IonicContact OE2-CZ 2.73Å; E487-R786 IonicContact OE2-NH1 3.18Å; E487-R786 PolarHBondContact OE2-NH1 3.21Å; E487-R786 IonicContact OE2-NH2 3.31Å; L713-R786 HydrophobicContact CD1-CG 3.52Å; W715-R786 HydrophobicContact CD2-CB 3.76Å; W715-R786 HydrophobicContact CD2-CG 3.85Å; W715-R786 HydrophobicContact CE3-CB 3.66Å; W715-R786 HydrophobicContact CE3-CG 4.28Å; W715-R786 HydrophobicContact CG-CB 4.48Å; W715-R786 HydrophobicContact CG-CG 4.31Å; W715-R786 HydrophobicContact CH2-CB 4.04Å; W715-R786 HydrophobicContact CH2-CG 4.4Å; W715-R786 HydrophobicContact CZ2-CB 4.11Å; W715-R786 HydrophobicContact CZ2-CG 3.97Å; W715-R786 HydrophobicContact CZ3-CB 3.81Å; R786-T788 HydrophobicContact CG-CG2 4.49Å; R786-C800 CarbonylContact O-C 3.58Å; R786-C800 WeakPolarHBondContact O-CA 3.48Å; R786-D801 PolarHBondContact N-OD1 2.82Å; R786-D801 PolarHBondContact O-N 2.88Å |
| 787 | I | 92.6 | Very high | 77.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.2 | 172 | -57 | 175.6 | 0 | 0 | 0 | 109 | L713 L714 F716 I726 I739 L753 F755 T799 | L713-I787 WeakPolarHBondContact CA-O 3.2Å; L714-I787 PolarHBondContact N-O 3.28Å; L714-I787 PolarHBondContact O-N 2.89Å; F716-I787 HydrophobicContact CD1-CD1 3.52Å; F716-I787 HydrophobicContact CD1-CG1 3.65Å; F716-I787 HydrophobicContact CE1-CD1 3.58Å; F716-I787 HydrophobicContact CE1-CG1 3.54Å; F716-I787 HydrophobicContact CG-CD1 4.46Å; I726-I787 HydrophobicContact CD1-CD1 3.8Å; I739-I787 HydrophobicContact CD1-CG2 4.3Å; I739-I787 HydrophobicContact CG2-CD1 4Å; L753-I787 HydrophobicContact CD1-CD1 3.79Å; L753-I787 HydrophobicContact CD2-CD1 3.8Å; L753-I787 HydrophobicContact CD2-CG1 3.75Å; L753-I787 HydrophobicContact CD2-CG2 4.31Å; L753-I787 HydrophobicContact CG-CD1 4.45Å; F755-I787 HydrophobicContact CE1-CG2 3.84Å; F755-I787 HydrophobicContact CZ-CG2 3.9Å; I787-T799 WeakPolarHBondContact CA-O 3.16Å |
| 788 | T | 92.4 | Very high | 79.5 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 146 | 161.7 | 85.5 | 0 | 0 | 0 | 0 | 112.2 | I712 L713 R786 F798 T799 | I712-T788 CarbonylContact O-C 3.59Å; I712-T788 VanDerWaalsContact O-CA 3.3Å; I712-T788 WeakPolarHBondContact O-CA 3.49Å; L713-T788 HydrophobicContact CD1-CG2 3.87Å; R786-T788 HydrophobicContact CG-CG2 4.49Å; T788-F798 CarbonylContact O-C 3.12Å; T788-F798 WeakPolarHBondContact O-CA 3.42Å; T788-T799 WeakPolarHBondContact CB-OG1 3.1Å; T788-T799 PolarHBondContact N-O 3.18Å; T788-T799 PolarHBondContact N-OG1 3.03Å; T788-T799 PolarHBondContact O-N 3.19Å; T788-T799 WeakPolarHBondContact OG1-CG2 3.47Å; T788-T799 PolarHBondContact OG1-OG1 3.24Å |
| 789 | V | 95.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.8 | 167.1 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | W707 S711 I712 F737 I739 F755 I796 R797 F798 | W707-V789 HydrophobicContact CH2-CG1 4.08Å; W707-V789 HydrophobicContact CZ2-CG1 4.08Å; S711-V789 CarbonylContact C-O 3.6Å; S711-V789 WeakPolarHBondContact CA-O 3.4Å; S711-V789 VanDerWaalsContact CB-O 3.31Å; S711-V789 WeakPolarHBondContact CB-O 3.35Å; I712-V789 HydrophobicContact CB-CB 4Å; I712-V789 HydrophobicContact CB-CG2 4.21Å; I712-V789 HydrophobicContact CD1-CB 4.44Å; I712-V789 HydrophobicContact CD1-CG2 4.35Å; I712-V789 HydrophobicContact CG1-CB 4.27Å; I712-V789 PolarHBondContact N-O 2.57Å; I712-V789 PolarHBondContact O-N 2.92Å; F737-V789 HydrophobicContact CE1-CG2 4.45Å; F737-V789 HydrophobicContact CZ-CG1 3.98Å; F737-V789 HydrophobicContact CZ-CG2 4.06Å; I739-V789 HydrophobicContact CD1-CG2 4.44Å; F755-V789 HydrophobicContact CD1-CG2 4.14Å; F755-V789 HydrophobicContact CE1-CG2 3.73Å; V789-I796 HydrophobicContact CG1-CG2 3.69Å; V789-R797 CarbonylContact C-O 3.58Å; V789-R797 WeakPolarHBondContact CA-O 3.49Å; V789-F798 HydrophobicContact CG1-CD1 4.31Å; V789-F798 HydrophobicContact CG1-CE1 4.28Å; V789-F798 HydrophobicContact CG2-CD1 4.16Å |
| 790 | E | 93.4 | Very high | 83.5 | Confident | 39 Ų | 39 | 29.9 Ų | 29.9 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.9 | 176.1 | -78.6 | 169.5 | 86.2 | 0 | 0 | 109.7 | F483 S511 I796 R797 | F483-E790 HydrophobicContact CD1-CB 4.09Å; F483-E790 HydrophobicContact CE1-CB 3.92Å; F483-E790 WeakPolarHBondContact CE1-O 3.13Å; S511-E790 PolarHBondContact OG-OE1 3.08Å; E790-I796 CarbonylContact O-C 3.52Å; E790-I796 WeakPolarHBondContact O-CA 3.37Å; E790-R797 PolarHBondContact N-O 3.45Å; E790-R797 PolarHBondContact O-N 3.34Å; E790-R797 IonicContact OE1-NH2 3.93Å; E790-R797 IonicContact OE2-CZ 2.81Å; E790-R797 IonicContact OE2-NE 3.04Å; E790-R797 PolarHBondContact OE2-NE 2.68Å; E790-R797 IonicContact OE2-NH2 2.74Å; E790-R797 PolarHBondContact OE2-NH2 2.75Å |
| 791 | H | 91.5 | Very high | 85.1 | Confident | 34 Ų | 34 | 26 Ų | 26 | 16% | 0.157 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.1 | 179.4 | 169.2 | -129.3 | 0 | 0 | 0 | 110.5 | G709 K710 E795 I796 L815 | G709-H791 WeakPolarHBondContact O-CB 3.47Å; G709-H791 PolarHBondContact O-ND1 3.21Å; K710-H791 PolarHBondContact O-N 2.67Å; H791-E795 WeakPolarHBondContact CA-O 3.34Å; H791-E795 PolarHBondContact CD2-O 3.23Å; H791-I796 HydrophobicContact CB-CG1 4.16Å; H791-L815 HydrophobicContact CB-CD2 4.06Å; H791-L815 PolarHBondContact CE1-O 3.16Å |
| 792 | I | 83.6 | Confident | 86.4 | Confident | 37 Ų | 37 | 30.3 Ų | 30.3 | 19% | 0.19 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 132.9 | -178.3 | -54.6 | 177.6 | 0 | 0 | 0 | 108.3 | Q482 F483 R794 E795 | Q482-I792 HydrophobicContact CB-CG2 4.13Å; Q482-I792 HydrophobicContact CG-CB 3.97Å; Q482-I792 HydrophobicContact CG-CG2 3.78Å; F483-I792 HydrophobicContact CD1-CD1 3.81Å; F483-I792 HydrophobicContact CD1-CG1 4.26Å; F483-I792 HydrophobicContact CE1-CB 3.86Å; F483-I792 HydrophobicContact CE1-CD1 3.81Å; F483-I792 HydrophobicContact CE1-CG1 3.72Å; F483-I792 HydrophobicContact CZ-CB 4.04Å; F483-I792 HydrophobicContact CZ-CG1 4.41Å; I792-R794 VanDerWaalsContact C-N 3.32Å; I792-R794 PolarHBondContact O-N 3.31Å; I792-E795 PolarHBondContact N-O 2.95Å; I792-E795 PolarHBondContact O-N 3.49Å; I792-E795 VanDerWaalsContact O-O 3.07Å |
| 793 | D | 72.8 | Confident | 87.8 | Confident | 64 Ų | 64 | 28.7 Ų | 28.7 | 34% | 0.342 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.3 | 176.4 | -58.2 | -13.9 | 0 | 0 | 0 | 114.6 | R454 E795 | R454-D793 IonicContact CZ-OD1 3.43Å; R454-D793 IonicContact CZ-OD2 2.68Å; R454-D793 IonicContact NE-OD2 3.79Å; R454-D793 PolarHBondContact NE-OD2 3.46Å; R454-D793 IonicContact NH2-OD1 3.76Å; R454-D793 PolarHBondContact NH2-OD1 2.82Å; R454-D793 IonicContact NH2-OD2 3.99Å; R454-D793 PolarHBondContact NH2-OD2 2.81Å; D793-E795 PolarHBondContact O-N 3.05Å; D793-E795 VanDerWaalsContact O-N 3.11Å |
| 794 | R | 81.4 | Confident | 88.8 | Confident | 45 Ų | 45 | 30.1 Ų | 30.1 | 17% | 0.17 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 4.7 | -174.2 | -63.3 | -162 | -176.3 | -150.5 | 18.9 | 116 | Y418 I792 L808 L809 | Y418-R794 PolarHBondContact O-NH2 2.86Å; I792-R794 VanDerWaalsContact C-N 3.32Å; I792-R794 PolarHBondContact O-N 3.31Å; R794-L808 HydrophobicContact CB-CD1 4.47Å; R794-L809 HydrophobicContact CB-CB 4.21Å; R794-L809 HydrophobicContact CB-CD1 4.42Å; R794-L809 WeakPolarHBondContact O-CB 3.36Å; R794-L809 VanDerWaalsContact O-CG 3.29Å; R794-L809 WeakPolarHBondContact O-CG 3.46Å; R794-L809 PolarHBondContact O-N 3.2Å |
| 795 | E | 90.2 | Very high | 89.4 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 139.7 | 168.9 | -163.2 | 161.3 | -128 | 0 | 0 | 109.5 | G478 R479 Q482 F483 H791 I792 D793 F806 Y807 L808 | G478-E795 WeakPolarHBondContact CA-OE2 3.46Å; R479-E795 PolarHBondContact N-OE2 3.09Å; Q482-E795 PolarHBondContact NE2-OE2 3.42Å; F483-E795 HydrophobicContact CE2-CB 4.04Å; F483-E795 HydrophobicContact CE2-CG 4.02Å; F483-E795 HydrophobicContact CZ-CB 4.2Å; F483-E795 HydrophobicContact CZ-CG 4.48Å; F483-E795 WeakPolarHBondContact CZ-O 3.5Å; H791-E795 WeakPolarHBondContact CA-O 3.34Å; H791-E795 PolarHBondContact CD2-O 3.23Å; I792-E795 PolarHBondContact N-O 2.95Å; I792-E795 PolarHBondContact O-N 3.49Å; I792-E795 VanDerWaalsContact O-O 3.07Å; D793-E795 PolarHBondContact O-N 3.05Å; D793-E795 VanDerWaalsContact O-N 3.11Å; E795-F806 HydrophobicContact CG-CB 4.38Å; E795-Y807 CarbonylContact C-O 3.5Å; E795-Y807 WeakPolarHBondContact CA-O 3.44Å; E795-L808 HydrophobicContact CB-CD1 4.38Å |
| 796 | I | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.5 | 172.8 | -53.5 | 178.5 | 0 | 0 | 0 | 107.6 | L759 V789 E790 H791 F798 F806 Y807 L809 L815 | L759-I796 HydrophobicContact CD1-CD1 4.17Å; V789-I796 HydrophobicContact CG1-CG2 3.69Å; E790-I796 CarbonylContact O-C 3.52Å; E790-I796 WeakPolarHBondContact O-CA 3.37Å; H791-I796 HydrophobicContact CB-CG1 4.16Å; I796-F798 HydrophobicContact CB-CE2 4.01Å; I796-F798 HydrophobicContact CB-CZ 3.99Å; I796-F798 HydrophobicContact CG2-CD1 4.28Å; I796-F798 HydrophobicContact CG2-CD2 4.32Å; I796-F798 HydrophobicContact CG2-CE1 3.76Å; I796-F798 HydrophobicContact CG2-CE2 3.78Å; I796-F798 HydrophobicContact CG2-CZ 3.48Å; I796-F798 VanDerWaalsContact CG2-CZ 3.48Å; I796-F806 CarbonylContact O-C 3.48Å; I796-F806 WeakPolarHBondContact O-CA 3.25Å; I796-Y807 PolarHBondContact N-O 3.35Å; I796-Y807 PolarHBondContact O-N 3.07Å; I796-L809 HydrophobicContact CD1-CD2 3.86Å; I796-L809 HydrophobicContact CD1-CG 4.5Å; I796-L809 HydrophobicContact CG1-CD2 4.41Å; I796-L815 HydrophobicContact CD1-CD2 3.65Å; I796-L815 HydrophobicContact CG1-CD2 4.32Å |
| 797 | R | 95.1 | Very high | 89.9 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 6% | 0.06 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.4 | 164.8 | 179.9 | 171.7 | 72.3 | 172.3 | -4.1 | 109.6 | F483 A484 V789 E790 T799 F806 | F483-R797 HydrophobicContact CD1-CB 3.81Å; F483-R797 HydrophobicContact CD2-CB 4.18Å; F483-R797 HydrophobicContact CE1-CB 3.8Å; F483-R797 HydrophobicContact CE2-CB 4.16Å; F483-R797 HydrophobicContact CG-CB 4Å; F483-R797 HydrophobicContact CZ-CB 3.98Å; A484-R797 VanDerWaalsContact O-CZ 3.24Å; A484-R797 PolarHBondContact O-NH1 3.3Å; A484-R797 PolarHBondContact O-NH2 2.98Å; V789-R797 CarbonylContact C-O 3.58Å; V789-R797 WeakPolarHBondContact CA-O 3.49Å; E790-R797 PolarHBondContact N-O 3.45Å; E790-R797 PolarHBondContact O-N 3.34Å; E790-R797 IonicContact OE1-NH2 3.93Å; E790-R797 IonicContact OE2-CZ 2.81Å; E790-R797 IonicContact OE2-NE 3.04Å; E790-R797 PolarHBondContact OE2-NE 2.68Å; E790-R797 IonicContact OE2-NH2 2.74Å; E790-R797 PolarHBondContact OE2-NH2 2.75Å; R797-T799 HydrophobicContact CG-CG2 3.88Å; R797-F806 HydrophobicContact CB-CD1 4.05Å; R797-F806 HydrophobicContact CB-CE1 3.93Å; R797-F806 HydrophobicContact CG-CD1 4.24Å; R797-F806 HydrophobicContact CG-CE1 3.79Å; R797-F806 HydrophobicContact CG-CZ 4.25Å |
| 798 | F | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136 | 168.2 | -52.6 | -87.6 | 0 | 0 | 0 | 108.4 | F737 F755 F757 V771 L773 T788 V789 I796 Q804 A805 | F737-F798 AromaticContact CE2-CE1 3.81Å; F737-F798 HydrophobicContact CE2-CE1 3.81Å; F737-F798 HydrophobicContact CE2-CZ 4.41Å; F737-F798 AromaticContact CZ-CE1 3.8Å; F737-F798 HydrophobicContact CZ-CE1 3.8Å; F755-F798 HydrophobicContact CB-CD1 3.85Å; F755-F798 HydrophobicContact CB-CE1 3.7Å; F755-F798 HydrophobicContact CB-CZ 4.44Å; F755-F798 AromaticContact CD1-CD1 3.4Å; F755-F798 HydrophobicContact CD1-CD1 3.4Å; F755-F798 AromaticContact CD1-CE1 3.86Å; F755-F798 HydrophobicContact CD1-CE1 3.86Å; F755-F798 HydrophobicContact CD1-CG 4.41Å; F755-F798 HydrophobicContact CD2-CB 4.01Å; F755-F798 AromaticContact CD2-CD1 3.71Å; F755-F798 HydrophobicContact CD2-CD1 3.71Å; F755-F798 HydrophobicContact CD2-CE1 4.42Å; F755-F798 AromaticContact CD2-CG 3.99Å; F755-F798 HydrophobicContact CD2-CG 3.99Å; F755-F798 HydrophobicContact CE1-CB 4.47Å; F755-F798 AromaticContact CE1-CD1 3.79Å; F755-F798 HydrophobicContact CE1-CD1 3.79Å; F755-F798 HydrophobicContact CE2-CB 3.74Å; F755-F798 HydrophobicContact CE2-CD1 4.09Å; F755-F798 HydrophobicContact CE2-CG 4.22Å; F755-F798 AromaticContact CG-CD1 3.35Å; F755-F798 HydrophobicContact CG-CD1 3.35Å; F755-F798 AromaticContact CG-CE1 3.74Å; F755-F798 HydrophobicContact CG-CE1 3.74Å; F755-F798 HydrophobicContact CG-CG 4.1Å; F755-F798 HydrophobicContact CZ-CB 3.98Å; F755-F798 HydrophobicContact CZ-CD1 4.11Å; F755-F798 HydrophobicContact CZ-CG 4.49Å; F757-F798 HydrophobicContact CD1-CZ 4.45Å; F757-F798 HydrophobicContact CE1-CE1 4.37Å; F757-F798 HydrophobicContact CE1-CE2 4.45Å; F757-F798 AromaticContact CE1-CZ 3.67Å; F757-F798 HydrophobicContact CE1-CZ 3.67Å; F757-F798 HydrophobicContact CZ-CZ 4.17Å; V771-F798 HydrophobicContact CB-CD2 4.33Å; V771-F798 HydrophobicContact CB-CE2 4.34Å; V771-F798 HydrophobicContact CG1-CD2 3.92Å; V771-F798 HydrophobicContact CG1-CE2 4.37Å; V771-F798 HydrophobicContact CG1-CG 4.35Å; V771-F798 HydrophobicContact CG2-CD2 4.28Å; V771-F798 HydrophobicContact CG2-CE2 3.88Å; V771-F798 HydrophobicContact CG2-CZ 4.37Å; L773-F798 HydrophobicContact CD1-CB 4.21Å; T788-F798 CarbonylContact O-C 3.12Å; T788-F798 WeakPolarHBondContact O-CA 3.42Å; V789-F798 HydrophobicContact CG1-CD1 4.31Å; V789-F798 HydrophobicContact CG1-CE1 4.28Å; V789-F798 HydrophobicContact CG2-CD1 4.16Å; I796-F798 HydrophobicContact CB-CE2 4.01Å; I796-F798 HydrophobicContact CB-CZ 3.99Å; I796-F798 HydrophobicContact CG2-CD1 4.28Å; I796-F798 HydrophobicContact CG2-CD2 4.32Å; I796-F798 HydrophobicContact CG2-CE1 3.76Å; I796-F798 HydrophobicContact CG2-CE2 3.78Å; I796-F798 HydrophobicContact CG2-CZ 3.48Å; I796-F798 VanDerWaalsContact CG2-CZ 3.48Å; F798-Q804 CarbonylContact O-C 3.56Å; F798-Q804 WeakPolarHBondContact O-CA 3.41Å; F798-A805 PolarHBondContact N-O 2.93Å; F798-A805 PolarHBondContact O-N 2.93Å |
| 799 | T | 92.6 | Very high | 89.4 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.2 | 171.4 | 79.5 | 0 | 0 | 0 | 0 | 111.8 | I787 T788 R797 S803 Q804 | I787-T799 WeakPolarHBondContact CA-O 3.16Å; T788-T799 WeakPolarHBondContact CB-OG1 3.1Å; T788-T799 PolarHBondContact N-O 3.18Å; T788-T799 PolarHBondContact N-OG1 3.03Å; T788-T799 PolarHBondContact O-N 3.19Å; T788-T799 WeakPolarHBondContact OG1-CG2 3.47Å; T788-T799 PolarHBondContact OG1-OG1 3.24Å; R797-T799 HydrophobicContact CG-CG2 3.88Å; T799-S803 CarbonylContact C-O 3.59Å; T799-S803 VanDerWaalsContact CA-O 3.26Å; T799-S803 WeakPolarHBondContact CA-O 3.31Å; T799-Q804 HydrophobicContact CG2-CB 3.94Å |
| 800 | C | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 107.8 | 166.2 | -171 | 0 | 0 | 0 | 0 | 107.1 | L753 L773 R786 R802 S803 | L753-C800 HydrophobicContact CD2-CB 3.84Å; L773-C800 HydrophobicContact CB-CB 4.13Å; L773-C800 HydrophobicContact CD1-CB 3.87Å; R786-C800 CarbonylContact O-C 3.58Å; R786-C800 WeakPolarHBondContact O-CA 3.48Å; C800-R802 PolarHBondContact O-N 2.86Å; C800-S803 PolarHBondContact N-O 2.69Å; C800-S803 WeakPolarHBondContact O-CB 3.38Å; C800-S803 PolarHBondContact O-N 3.09Å |
| 801 | D | 85.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -97.7 | -168.7 | -55 | -36.7 | 0 | 0 | 0 | 113.2 | H785 R786 | H785-D801 VanDerWaalsContact CA-OD1 3.29Å; H785-D801 WeakPolarHBondContact CA-OD1 3.48Å; H785-D801 IonicContact CE1-OD2 2.81Å; H785-D801 IonicContact CG-OD2 2.64Å; H785-D801 IonicContact ND1-OD1 3.84Å; H785-D801 IonicContact ND1-OD2 3.71Å; H785-D801 PolarHBondContact ND1-OD2 3.46Å; R786-D801 PolarHBondContact N-OD1 2.82Å; R786-D801 PolarHBondContact O-N 2.88Å |
| 802 | R | 79.3 | Confident | 86.8 | Confident | 144 Ų | 144 | 40.5 Ų | 40.5 | 54% | 0.543 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -9.8 | 176.4 | -61.4 | -172.8 | -178 | -166.3 | -0.2 | 113 | E498 C800 | E498-R802 IonicContact OE1-CZ 3.43Å; E498-R802 IonicContact OE1-NH1 3.21Å; E498-R802 IonicContact OE1-NH2 3.8Å; E498-R802 PolarHBondContact OE1-NH2 2.89Å; C800-R802 PolarHBondContact O-N 2.86Å |
| 803 | S | 87.2 | Confident | 86.8 | Confident | 27 Ų | 27 | 38.8 Ų | 38.8 | 19% | 0.189 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 135.1 | 173.6 | -166.5 | 0 | 0 | 0 | 0 | 109.2 | T799 C800 | T799-S803 CarbonylContact C-O 3.59Å; T799-S803 VanDerWaalsContact CA-O 3.26Å; T799-S803 WeakPolarHBondContact CA-O 3.31Å; C800-S803 PolarHBondContact N-O 2.69Å; C800-S803 WeakPolarHBondContact O-CB 3.38Å; C800-S803 PolarHBondContact O-N 3.09Å |
| 804 | Q | 91.8 | Very high | 87 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 40% | 0.397 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 149.3 | -176.9 | 64.2 | -178.3 | -39.2 | 0 | 0 | 113.1 | F798 T799 F806 | F798-Q804 CarbonylContact O-C 3.56Å; F798-Q804 WeakPolarHBondContact O-CA 3.41Å; T799-Q804 HydrophobicContact CG2-CB 3.94Å; Q804-F806 HydrophobicContact CG-CE2 4.26Å |
| 805 | A | 93.6 | Very high | 87.2 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V771 L773 F798 | V771-A805 HydrophobicContact CG1-CB 3.54Å; L773-A805 HydrophobicContact CD2-CB 3.68Å; F798-A805 PolarHBondContact N-O 2.93Å; F798-A805 PolarHBondContact O-N 2.93Å |
| 806 | F | 93.7 | Very high | 86.4 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 32% | 0.32 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 142.7 | -177.2 | -59.3 | -92 | 0 | 0 | 0 | 110.1 | A477 F483 E795 I796 R797 Q804 | A477-F806 HydrophobicContact CB-CE1 4.27Å; A477-F806 HydrophobicContact CB-CZ 3.69Å; F483-F806 HydrophobicContact CD2-CD1 4.09Å; F483-F806 AromaticContact CD2-CE1 3.73Å; F483-F806 HydrophobicContact CD2-CE1 3.73Å; F483-F806 HydrophobicContact CE2-CD1 4.11Å; F483-F806 HydrophobicContact CE2-CE1 4.23Å; F483-F806 HydrophobicContact CG-CE1 4.38Å; E795-F806 HydrophobicContact CG-CB 4.38Å; I796-F806 CarbonylContact O-C 3.48Å; I796-F806 WeakPolarHBondContact O-CA 3.25Å; R797-F806 HydrophobicContact CB-CD1 4.05Å; R797-F806 HydrophobicContact CB-CE1 3.93Å; R797-F806 HydrophobicContact CG-CD1 4.24Å; R797-F806 HydrophobicContact CG-CE1 3.79Å; R797-F806 HydrophobicContact CG-CZ 4.25Å; Q804-F806 HydrophobicContact CG-CE2 4.26Å |
| 807 | Y | 94.5 | Very high | 85.1 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 13% | 0.125 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 119.5 | 175.1 | -178.7 | -95.3 | 0 | 0 | 0 | 111 | F757 R769 E795 I796 L809 E813 | F757-Y807 AromaticContact CE2-CD1 3.83Å; F757-Y807 HydrophobicContact CE2-CD1 3.83Å; F757-Y807 AromaticContact CE2-CE1 3.62Å; F757-Y807 HydrophobicContact CE2-CE1 3.62Å; F757-Y807 HydrophobicContact CE2-CG 4.44Å; F757-Y807 AromaticContact CZ-CD1 3.62Å; F757-Y807 HydrophobicContact CZ-CD1 3.62Å; F757-Y807 HydrophobicContact CZ-CD2 4.19Å; F757-Y807 AromaticContact CZ-CE1 3.84Å; F757-Y807 HydrophobicContact CZ-CE1 3.84Å; F757-Y807 HydrophobicContact CZ-CE2 4.4Å; F757-Y807 AromaticContact CZ-CG 3.81Å; F757-Y807 HydrophobicContact CZ-CG 3.81Å; R769-Y807 WeakPolarHBondContact CD-OH 3.33Å; R769-Y807 HydrophobicContact CG-CE2 4.12Å; R769-Y807 PolarHBondContact NE-OH 3.27Å; E795-Y807 CarbonylContact C-O 3.5Å; E795-Y807 WeakPolarHBondContact CA-O 3.44Å; I796-Y807 PolarHBondContact N-O 3.35Å; I796-Y807 PolarHBondContact O-N 3.07Å; Y807-L809 HydrophobicContact CD1-CD2 4.19Å; Y807-L809 HydrophobicContact CE1-CD2 3.97Å; Y807-E813 VanDerWaalsContact CE1-OE2 3.23Å; Y807-E813 WeakPolarHBondContact CE1-OE2 3.24Å; Y807-E813 PolarHBondContact OH-OE1 3.18Å; Y807-E813 PolarHBondContact OH-OE2 2.7Å |
| 808 | L | 88.6 | Confident | 83.9 | Confident | 35 Ų | 35 | 48 Ų | 48 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.3 | 173.1 | -175.4 | 69 | 0 | 0 | 0 | 110 | R794 E795 Q810 | R794-L808 HydrophobicContact CB-CD1 4.47Å; E795-L808 HydrophobicContact CB-CD1 4.38Å; L808-Q810 PolarHBondContact O-N 2.74Å; L808-Q810 PolarHBondContact O-NE2 2.82Å |
| 809 | L | 86 | Confident | 83 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 130 | 176.1 | -64.6 | 179.5 | 0 | 0 | 0 | 110.6 | L759 R794 I796 Y807 E813 L815 | L759-L809 HydrophobicContact CD1-CD2 3.6Å; R794-L809 HydrophobicContact CB-CB 4.21Å; R794-L809 HydrophobicContact CB-CD1 4.42Å; R794-L809 WeakPolarHBondContact O-CB 3.36Å; R794-L809 VanDerWaalsContact O-CG 3.29Å; R794-L809 WeakPolarHBondContact O-CG 3.46Å; R794-L809 PolarHBondContact O-N 3.2Å; I796-L809 HydrophobicContact CD1-CD2 3.86Å; I796-L809 HydrophobicContact CD1-CG 4.5Å; I796-L809 HydrophobicContact CG1-CD2 4.41Å; Y807-L809 HydrophobicContact CD1-CD2 4.19Å; Y807-L809 HydrophobicContact CE1-CD2 3.97Å; L809-E813 HydrophobicContact CB-CB 4.2Å; L809-E813 HydrophobicContact CD2-CB 4.2Å; L809-L815 HydrophobicContact CD1-CB 3.99Å |
| 810 | Q | 82.1 | Confident | 82.6 | Confident | 87 Ų | 87 | 47.7 Ų | 47.7 | 41% | 0.407 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 160.4 | 175.3 | -59.1 | -57.1 | -66 | 0 | 0 | 111.1 | L808 S812 E813 | L808-Q810 PolarHBondContact O-N 2.74Å; L808-Q810 PolarHBondContact O-NE2 2.82Å; Q810-S812 PolarHBondContact O-N 3.07Å; Q810-E813 HydrophobicContact CB-CB 4.44Å; Q810-E813 HydrophobicContact CB-CG 4.04Å; Q810-E813 PolarHBondContact N-OE2 2.7Å; Q810-E813 WeakPolarHBondContact O-CB 3.31Å; Q810-E813 PolarHBondContact O-N 3.32Å |
| 811 | P | 70 | Confident | 81.8 | Confident | 104 Ų | 104 | 49.1 Ų | 49.1 | 68% | 0.675 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.2 | -177.4 | -29.5 | 36.9 | 0 | 0 | 0 | 115.5 | Y814 | P811-Y814 PolarHBondContact O-OH 2.99Š|
| 812 | S | 73.5 | Confident | 81.7 | Confident | 42 Ų | 42 | 52 Ų | 52 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -1.1 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | D764 Q810 Y814 | D764-S812 WeakPolarHBondContact OD2-CB 3.43Å; D764-S812 PolarHBondContact OD2-OG 2.91Å; Q810-S812 PolarHBondContact O-N 3.07Å; S812-Y814 WeakPolarHBondContact O-CD2 3.43Å; S812-Y814 WeakPolarHBondContact O-CE2 3.38Å |
| 813 | E | 84.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -95.1 | 136.4 | 175.8 | -69.2 | 168 | 178.3 | 0 | 0 | 110.5 | L759 T760 R769 Y807 L809 Q810 | L759-E813 HydrophobicContact CB-CB 4.14Å; L759-E813 HydrophobicContact CB-CG 4.35Å; L759-E813 WeakPolarHBondContact O-CA 3.46Å; T760-E813 HydrophobicContact CG2-CG 3.56Å; R769-E813 IonicContact CZ-OE1 3.88Å; R769-E813 IonicContact NE-OE1 2.66Å; R769-E813 PolarHBondContact NE-OE1 2.85Å; R769-E813 IonicContact NH2-OE1 3.96Å; R769-E813 PolarHBondContact NH2-OE1 3.17Å; Y807-E813 VanDerWaalsContact CE1-OE2 3.23Å; Y807-E813 WeakPolarHBondContact CE1-OE2 3.24Å; Y807-E813 PolarHBondContact OH-OE1 3.18Å; Y807-E813 PolarHBondContact OH-OE2 2.7Å; L809-E813 HydrophobicContact CB-CB 4.2Å; L809-E813 HydrophobicContact CD2-CB 4.2Å; Q810-E813 HydrophobicContact CB-CB 4.44Å; Q810-E813 HydrophobicContact CB-CG 4.04Å; Q810-E813 PolarHBondContact N-OE2 2.7Å; Q810-E813 WeakPolarHBondContact O-CB 3.31Å; Q810-E813 PolarHBondContact O-N 3.32Å |
| 814 | Y | 77.9 | Confident | 82.3 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | trans | -137.8 | 124.1 | -178.7 | -57 | -84.7 | 0 | 0 | 0 | 110.7 | R735 L759 P811 S812 T819 | R735-Y814 PolarHBondContact NH1-O 2.91Å; L759-Y814 PolarHBondContact O-N 3.3Å; L759-Y814 VanDerWaalsContact O-N 3.09Å; P811-Y814 PolarHBondContact O-OH 2.99Å; S812-Y814 WeakPolarHBondContact O-CD2 3.43Å; S812-Y814 WeakPolarHBondContact O-CE2 3.38Å; Y814-T819 PolarHBondContact O-OG1 2.89Å | ||
| 815 | L | 84.1 | Confident | 82.2 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | trans | -122.6 | 119.6 | 169.7 | -176.3 | 60.9 | 0 | 0 | 0 | 108.7 | W707 L759 H791 I796 L809 T819 F820 | W707-L815 HydrophobicContact CH2-CD1 4.3Å; W707-L815 HydrophobicContact CH2-CD2 3.76Å; W707-L815 HydrophobicContact CZ2-CD2 4.28Å; W707-L815 HydrophobicContact CZ3-CD1 4.19Å; W707-L815 HydrophobicContact CZ3-CD2 4.41Å; L759-L815 HydrophobicContact CD1-CB 4.21Å; L759-L815 HydrophobicContact CD1-CD2 4.5Å; L759-L815 HydrophobicContact CD2-CD1 4.08Å; H791-L815 HydrophobicContact CB-CD2 4.06Å; H791-L815 PolarHBondContact CE1-O 3.16Å; I796-L815 HydrophobicContact CD1-CD2 3.65Å; I796-L815 HydrophobicContact CG1-CD2 4.32Å; L809-L815 HydrophobicContact CD1-CB 3.99Å; L815-T819 HydrophobicContact CD1-CG2 3.98Å; L815-F820 HydrophobicContact CD1-CD2 4.36Å; L815-F820 HydrophobicContact CD1-CE2 3.77Å | ||
| 816 | D | 73 | Confident | 82.1 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -156.7 | 178.3 | 178.8 | 65.6 | 10.3 | 0 | 0 | 0 | 110.6 | K708 Y818 T819 | K708-D816 CarbonylContact O-C 3.53Å; D816-Y818 PolarHBondContact O-N 3.03Å; D816-Y818 PolarHBondContact OD1-N 2.82Å; D816-Y818 VanDerWaalsContact OD1-N 3.08Å; D816-T819 PolarHBondContact N-OG1 2.91Å; D816-T819 VanDerWaalsContact N-OG1 3.12Å; D816-T819 VanDerWaalsContact O-CB 3.26Å; D816-T819 WeakPolarHBondContact O-CB 3.3Å; D816-T819 PolarHBondContact O-N 3.28Å; D816-T819 PolarHBondContact OD1-N 2.86Å; D816-T819 PolarHBondContact OD1-OG1 2.77Å |
| 817 | R | 69.1 | Low | 81.9 | Confident | 75 Ų | 75 | 42.3 Ų | 42.3 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.8 | -179.3 | 75 | -178.2 | -170.5 | -177.2 | 1.6 | 115.4 | H40 N236 K708 | H40-R817 PolarHBondContact CD2-NH2 3.27Å; H40-R817 PolarHBondContact NE2-NH2 3.18Å; H40-R817 VanDerWaalsContact NE2-NH2 3.18Å; N236-R817 PolarHBondContact ND2-NH1 3.07Å; K708-R817 HydrophobicContact CB-CB 4.01Å; K708-R817 HydrophobicContact CD-CB 4.36Å; K708-R817 VanDerWaalsContact CD-O 3.24Å; K708-R817 WeakPolarHBondContact CD-O 3.35Å; K708-R817 VanDerWaalsContact O-CA 3.27Å; K708-R817 WeakPolarHBondContact O-CA 3.41Å; K708-R817 PolarHBondContact O-N 2.96Å |
| 818 | Y | 69.6 | Low | 81.5 | Confident | 84 Ų | 84 | 40.8 Ų | 40.8 | 33% | 0.329 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -1.4 | 178.8 | -48.4 | -66.6 | 0 | 0 | 0 | 112.4 | H40 H41 E274 D816 | H40-Y818 PolarHBondContact CD2-OH 3.03Å; H41-Y818 AromaticContact NE2-CD1 3.65Å; H41-Y818 AromaticContact NE2-CE1 3.92Å; E274-Y818 PolarHBondContact OE2-OH 2.85Å; D816-Y818 PolarHBondContact O-N 3.03Å; D816-Y818 PolarHBondContact OD1-N 2.82Å; D816-Y818 VanDerWaalsContact OD1-N 3.08Å |
| 819 | T | 76.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -35.5 | -177.1 | -73.8 | 0 | 0 | 0 | 0 | 112 | A731 R735 L759 Y814 L815 D816 | A731-T819 WeakPolarHBondContact CB-O 3.33Å; R735-T819 PolarHBondContact NH1-OG1 3.15Å; L759-T819 HydrophobicContact CD2-CG2 4.25Å; Y814-T819 PolarHBondContact O-OG1 2.89Å; L815-T819 HydrophobicContact CD1-CG2 3.98Å; D816-T819 PolarHBondContact N-OG1 2.91Å; D816-T819 VanDerWaalsContact N-OG1 3.12Å; D816-T819 VanDerWaalsContact O-CB 3.26Å; D816-T819 WeakPolarHBondContact O-CB 3.3Å; D816-T819 PolarHBondContact O-N 3.28Å; D816-T819 PolarHBondContact OD1-N 2.86Å; D816-T819 PolarHBondContact OD1-OG1 2.77Å |
| 820 | F | 84.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -124.1 | 122.7 | 178.3 | -58 | -57.7 | 0 | 0 | 0 | 112.1 | P706 W707 K708 Q729 A731 R735 F737 L759 L815 | P706-F820 HydrophobicContact CB-CB 4.48Å; W707-F820 HydrophobicContact CE3-CD2 4.01Å; W707-F820 AromaticContact CE3-CE2 3.75Å; W707-F820 HydrophobicContact CE3-CE2 3.75Å; W707-F820 AromaticContact CZ3-CE2 3.92Å; W707-F820 HydrophobicContact CZ3-CE2 3.92Å; W707-F820 WeakPolarHBondContact O-CB 3.26Å; K708-F820 PolarHBondContact NZ-O 3.18Å; K708-F820 VanDerWaalsContact NZ-O 3.11Å; Q729-F820 HydrophobicContact CG-CB 3.86Å; Q729-F820 HydrophobicContact CG-CD1 3.65Å; Q729-F820 HydrophobicContact CG-CD2 3.49Å; Q729-F820 VanDerWaalsContact CG-CD2 3.49Å; Q729-F820 HydrophobicContact CG-CE1 3.99Å; Q729-F820 HydrophobicContact CG-CE2 3.84Å; Q729-F820 HydrophobicContact CG-CG 3.38Å; Q729-F820 HydrophobicContact CG-CZ 4.08Å; A731-F820 HydrophobicContact CB-CD1 3.95Å; A731-F820 HydrophobicContact CB-CE1 4.27Å; R735-F820 HydrophobicContact CB-CE1 4.47Å; F737-F820 HydrophobicContact CB-CE2 4.22Å; F737-F820 HydrophobicContact CB-CZ 3.87Å; L759-F820 HydrophobicContact CD2-CE2 4.45Å; L759-F820 HydrophobicContact CD2-CZ 3.9Å; L815-F820 HydrophobicContact CD1-CD2 4.36Å; L815-F820 HydrophobicContact CD1-CE2 3.77Å | ||
| 821 | A | 73.6 | Confident | 80 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | trans | -117.8 | -28.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E174 | E174-A821 VanDerWaalsContact OE2-CB 3.25Å; E174-A821 WeakPolarHBondContact OE2-CB 3.37Å | ||
| 822 | K | 83.1 | Confident | 79.9 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -66.8 | 144.2 | 172.9 | -62.7 | 175.6 | 170.3 | 167.8 | 0 | 110.4 | P706 Q729 Q730 A731 H732 | P706-K822 WeakPolarHBondContact CB-O 3.07Å; Q729-K822 PolarHBondContact NE2-O 3.45Å; Q730-K822 HydrophobicContact CB-CD 3.97Å; Q730-K822 WeakPolarHBondContact O-CB 3.39Å; A731-K822 VanDerWaalsContact O-CE 3.23Å; A731-K822 WeakPolarHBondContact O-CE 3.03Å; A731-K822 PolarHBondContact O-NZ 3.03Å; H732-K822 WeakPolarHBondContact NE2-CG 3.43Å |
| 823 | K | 87.3 | Confident | 79.4 | Confident | 121 Ų | 121 | 50.8 Ų | 50.8 | 53% | 0.526 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -49.6 | 140.2 | 170.9 | -69.4 | -169.9 | -178.9 | -176.2 | 0 | 111.7 | Q703 I704 | Q703-K823 HydrophobicContact CB-CB 4.07Å; Q703-K823 HydrophobicContact CB-CD 3.8Å; I704-K823 CarbonylContact O-C 3.58Å; I704-K823 WeakPolarHBondContact O-CA 3.41Å; I704-K823 WeakPolarHBondContact O-CB 3.38Å; I704-K823 WeakPolarHBondContact O-CG 3.45Å |
| 824 | M | 91.4 | Very high | 78.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.5 | 172.7 | 174.5 | 176.8 | -80.6 | 0 | 0 | 109.5 | Q703 I704 W707 L727 Q729 I826 L846 | Q703-M824 CarbonylContact C-O 3.51Å; Q703-M824 VanDerWaalsContact CA-O 3.3Å; Q703-M824 WeakPolarHBondContact CA-O 3.26Å; I704-M824 HydrophobicContact CD1-SD 4.38Å; I704-M824 HydrophobicContact CG1-CB 4.05Å; I704-M824 HydrophobicContact CG1-CG 4.4Å; I704-M824 PolarHBondContact N-O 3.05Å; I704-M824 PolarHBondContact O-N 2.84Å; W707-M824 HydrophobicContact CB-CE 3.33Å; W707-M824 HydrophobicContact CG-CE 4.25Å; L727-M824 HydrophobicContact CD1-CE 3.71Å; L727-M824 HydrophobicContact CD1-CG 4.48Å; L727-M824 HydrophobicContact CD1-SD 3.47Å; L727-M824 WeakPolarHBondContact CD1-SD 3.36Å; L727-M824 HydrophobicContact CD2-CE 3.82Å; L727-M824 HydrophobicContact CD2-CG 4.48Å; L727-M824 HydrophobicContact CD2-SD 4.26Å; L727-M824 HydrophobicContact CG-CE 3.91Å; L727-M824 HydrophobicContact CG-CG 4.04Å; L727-M824 HydrophobicContact CG-SD 3.68Å; Q729-M824 HydrophobicContact CB-CE 3.97Å; Q729-M824 HydrophobicContact CG-CE 4.35Å; M824-I826 HydrophobicContact CG-CG1 4.39Å; M824-L846 HydrophobicContact CE-CD1 4.43Å; M824-L846 HydrophobicContact CE-CD2 4.24Å; M824-L846 HydrophobicContact SD-CD1 3.87Å; M824-L846 HydrophobicContact SD-CD2 4.12Å |
| 825 | R | 90.9 | Very high | 78.4 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 143 | 172.8 | -62.8 | -175.2 | -169.8 | 98.3 | -8.1 | 110.8 | I701 I702 Q703 L727 D728 E830 | I701-R825 HydrophobicContact CG2-CB 3.79Å; I701-R825 HydrophobicContact CG2-CG 4.04Å; I702-R825 CarbonylContact O-C 3.51Å; I702-R825 WeakPolarHBondContact O-CA 3.28Å; Q703-R825 HydrophobicContact CG-CG 4.19Å; L727-R825 WeakPolarHBondContact CA-O 3.36Å; D728-R825 HydrophobicContact CB-CB 4.14Å; D728-R825 PolarHBondContact N-O 2.97Å; D728-R825 PolarHBondContact O-N 2.94Å; D728-R825 WeakPolarHBondContact OD2-CD 3.34Å; D728-R825 IonicContact OD2-CZ 3.74Å; D728-R825 IonicContact OD2-NE 3.94Å; D728-R825 IonicContact OD2-NH1 2.77Å; D728-R825 PolarHBondContact OD2-NH1 2.8Å; R825-E830 VanDerWaalsContact CZ-CD 3.48Å; R825-E830 IonicContact CZ-OE1 2.9Å; R825-E830 IonicContact CZ-OE2 2.67Å; R825-E830 IonicContact NE-OE1 3.22Å; R825-E830 PolarHBondContact NE-OE1 2.95Å; R825-E830 IonicContact NE-OE2 3.25Å; R825-E830 IonicContact NH2-OE1 2.77Å; R825-E830 PolarHBondContact NH2-OE1 2.93Å; R825-E830 IonicContact NH2-OE2 2.64Å; R825-E830 PolarHBondContact NH2-OE2 2.81Å |
| 826 | I | 91 | Very high | 78.4 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136.2 | 176.9 | -63 | 177.9 | 0 | 0 | 0 | 109.2 | F695 I701 I702 I704 I726 M824 L841 L844 F857 | F695-I826 HydrophobicContact CE2-CG2 4.45Å; F695-I826 HydrophobicContact CZ-CG2 3.87Å; I701-I826 WeakPolarHBondContact CA-O 3.42Å; I702-I826 PolarHBondContact N-O 3.08Å; I702-I826 PolarHBondContact O-N 3.38Å; I704-I826 HydrophobicContact CD1-CD1 3.51Å; I704-I826 HydrophobicContact CG1-CD1 4.01Å; I726-I826 WeakPolarHBondContact O-CA 3.39Å; M824-I826 HydrophobicContact CG-CG1 4.39Å; I826-L841 HydrophobicContact CG2-CD1 3.5Å; I826-L841 VanDerWaalsContact CG2-CD1 3.5Å; I826-L844 HydrophobicContact CD1-CD2 3.41Å; I826-L844 VanDerWaalsContact CD1-CD2 3.41Å; I826-F857 HydrophobicContact CD1-CZ 3.86Å; I826-F857 HydrophobicContact CG2-CE1 4.12Å; I826-F857 HydrophobicContact CG2-CZ 4.43Å |
| 827 | G | 88.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 95.3 | -1.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A700 V725 I726 R836 Y837 | A700-G827 CarbonylContact O-C 3.58Å; V725-G827 CarbonylContact O-C 3.52Å; I726-G827 PolarHBondContact O-N 3.07Å; G827-R836 WeakPolarHBondContact O-CA 3.49Å; G827-Y837 PolarHBondContact O-N 2.9Å |
| 828 | G | 87.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | 164.7 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V725 | V725-G828 PolarHBondContact O-N 2.98Š| ||
| 829 | D | 83.3 | Confident | 80.5 | Confident | 18 Ų | 18 | 47 Ų | 47 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | trans | -104.4 | 159.7 | 162.4 | 75.9 | 58.4 | 0 | 0 | 0 | 111.6 | I701 D728 M738 N831 N832 R836 | I701-D829 WeakPolarHBondContact CD1-O 3.12Å; D728-D829 HydrophobicContact CB-CB 4.45Å; M738-D829 HydrophobicContact CE-CB 4.15Å; D829-N831 VanDerWaalsContact C-N 3.31Å; D829-N831 PolarHBondContact O-N 2.97Å; D829-N831 WeakPolarHBondContact OD1-CA 3.37Å; D829-N831 PolarHBondContact OD1-N 2.86Å; D829-N832 PolarHBondContact OD1-N 2.96Å; D829-R836 PolarHBondContact O-NH1 3.03Å; D829-R836 PolarHBondContact O-NH2 3.19Å | ||
| 830 | E | 71.4 | Confident | 81 | Confident | 101 Ų | 101 | 46.9 Ų | 46.9 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -73.9 | -17.6 | -178.8 | -87.1 | 165.4 | -154.7 | 0 | 0 | 114 | I701 Q703 R825 | I701-E830 HydrophobicContact CD1-CG 4.12Å; Q703-E830 PolarHBondContact NE2-OE1 2.72Å; R825-E830 VanDerWaalsContact CZ-CD 3.48Å; R825-E830 IonicContact CZ-OE1 2.9Å; R825-E830 IonicContact CZ-OE2 2.67Å; R825-E830 IonicContact NE-OE1 3.22Å; R825-E830 PolarHBondContact NE-OE1 2.95Å; R825-E830 IonicContact NE-OE2 3.25Å; R825-E830 IonicContact NH2-OE1 2.77Å; R825-E830 PolarHBondContact NH2-OE1 2.93Å; R825-E830 IonicContact NH2-OE2 2.64Å; R825-E830 PolarHBondContact NH2-OE2 2.81Å |
| 831 | N | 69.4 | Low | 81.3 | Confident | 148 Ų | 148 | 46.9 Ų | 46.9 | 79% | 0.791 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -92.4 | -22.2 | -171.2 | -62.9 | -38.7 | 0 | 0 | 0 | 113.3 | D829 | D829-N831 VanDerWaalsContact C-N 3.31Å; D829-N831 PolarHBondContact O-N 2.97Å; D829-N831 WeakPolarHBondContact OD1-CA 3.37Å; D829-N831 PolarHBondContact OD1-N 2.86Å |
| 832 | N | 69 | Low | 81.9 | Confident | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | trans | -132.7 | 104.8 | -175.7 | -167.4 | 0.6 | 0 | 0 | 0 | 112.3 | D829 F834 S835 R836 | D829-N832 PolarHBondContact OD1-N 2.96Å; N832-F834 PolarHBondContact O-N 3.11Å; N832-F834 WeakPolarHBondContact OD1-CB 3.46Å; N832-F834 PolarHBondContact OD1-N 3.14Å; N832-F834 VanDerWaalsContact OD1-N 3.15Å; N832-S835 PolarHBondContact ND2-OG 2.92Å; N832-S835 PolarHBondContact O-N 3.18Å; N832-R836 PolarHBondContact O-NH1 3.28Å | ||
| 833 | E | 61.7 | Low | 81.7 | Confident | 154 Ų | 154 | 46.4 Ų | 46.4 | 72% | 0.72 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -65 | -22.6 | 176.7 | -63.8 | -169.4 | 152.2 | 0 | 0 | 113.3 | S835 R836 | E833-S835 VanDerWaalsContact C-N 3.28Å; E833-S835 PolarHBondContact O-N 3.36Å; E833-R836 WeakPolarHBondContact O-CG 3.25Å |
| 834 | F | 66.4 | Low | 81.8 | Confident | 176 Ų | 176 | 40.7 Ų | 40.7 | 77% | 0.772 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -78.4 | -10.6 | 176.9 | -60.3 | -76.3 | 0 | 0 | 0 | 113.5 | N832 | N832-F834 PolarHBondContact O-N 3.11Å; N832-F834 WeakPolarHBondContact OD1-CB 3.46Å; N832-F834 PolarHBondContact OD1-N 3.14Å; N832-F834 VanDerWaalsContact OD1-N 3.15Å |
| 835 | S | 74.8 | Confident | 81.4 | Confident | 14 Ų | 14 | 42 Ų | 42 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -98.7 | 24.3 | -178.5 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | V725 N832 E833 | V725-S835 PolarHBondContact N-O 3.38Å; N832-S835 PolarHBondContact ND2-OG 2.92Å; N832-S835 PolarHBondContact O-N 3.18Å; E833-S835 VanDerWaalsContact C-N 3.28Å; E833-S835 PolarHBondContact O-N 3.36Å |
| 836 | R | 84.7 | Confident | 81.2 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | trans | -68.4 | 142.1 | 175.3 | -62.3 | -81.3 | 167.3 | -87.1 | -1.8 | 110.7 | G697 S724 G827 D829 N832 E833 F838 | G697-R836 WeakPolarHBondContact O-CB 3.44Å; G697-R836 WeakPolarHBondContact O-CG 3.44Å; S724-R836 VanDerWaalsContact CB-O 3.22Å; S724-R836 WeakPolarHBondContact CB-O 3.23Å; G827-R836 WeakPolarHBondContact O-CA 3.49Å; D829-R836 PolarHBondContact O-NH1 3.03Å; D829-R836 PolarHBondContact O-NH2 3.19Å; N832-R836 PolarHBondContact O-NH1 3.28Å; E833-R836 WeakPolarHBondContact O-CG 3.25Å; R836-F838 HydrophobicContact CB-CE2 4.34Å; R836-F838 WeakPolarHBondContact O-CD2 3.41Å | ||
| 837 | Y | 87.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -80.2 | 133.5 | 175.1 | -177.6 | -111.7 | 0 | 0 | 0 | 111.1 | F695 R717 I726 I741 G827 C840 L841 | F695-Y837 HydrophobicContact CB-CD1 3.9Å; F695-Y837 WeakPolarHBondContact CB-O 3.37Å; F695-Y837 HydrophobicContact CD2-CD1 4.13Å; F695-Y837 HydrophobicContact CD2-CE1 4.49Å; F695-Y837 HydrophobicContact CG-CD1 4Å; R717-Y837 PolarHBondContact O-OH 3.3Å; I726-Y837 HydrophobicContact CG1-CD2 4.06Å; I726-Y837 HydrophobicContact CG1-CE2 4.15Å; I741-Y837 HydrophobicContact CD1-CE2 4.13Å; G827-Y837 PolarHBondContact O-N 2.9Å; Y837-C840 PolarHBondContact OH-O 3.47Å; Y837-L841 HydrophobicContact CD1-CD2 4.42Å; Y837-L841 HydrophobicContact CD1-CG 4.44Å; Y837-L841 HydrophobicContact CE1-CD2 3.62Å; Y837-L841 HydrophobicContact CE1-CG 3.87Å | ||
| 838 | F | 82.2 | Confident | 79.8 | Confident | 43 Ų | 43 | 44 Ų | 44 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.4 | 171.1 | -64.9 | -100 | 0 | 0 | 0 | 107.9 | T696 T718 A720 R836 A889 | T696-F838 VanDerWaalsContact O-CE1 3.26Å; T696-F838 WeakPolarHBondContact O-CE1 3.43Å; T718-F838 WeakPolarHBondContact CB-O 3.5Å; T718-F838 PolarHBondContact OG1-O 2.99Å; A720-F838 HydrophobicContact CB-CB 4.25Å; R836-F838 HydrophobicContact CB-CE2 4.34Å; R836-F838 WeakPolarHBondContact O-CD2 3.41Å; F838-A889 HydrophobicContact CD1-CB 3.79Å; F838-A889 HydrophobicContact CE1-CB 3.72Å; F838-A889 HydrophobicContact CZ-CB 4.43Å |
| 839 | G | 85.7 | Confident | 79 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.7 | -167.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q694 F695 R717 | Q694-G839 CarbonylContact C-O 3.57Å; F695-G839 PolarHBondContact N-O 3.03Å; F695-G839 PolarHBondContact O-N 2.81Å; F695-G839 VanDerWaalsContact O-N 3.09Å; R717-G839 CarbonylContact O-C 3.45Å; R717-G839 WeakPolarHBondContact O-CA 3.23Å |
| 840 | C | 87.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.8 | -176.4 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | V693 F716 R717 W784 Y837 C869 Y888 | V693-C840 CarbonylContact O-C 3.54Å; V693-C840 WeakPolarHBondContact O-CA 3.33Å; F716-C840 CarbonylContact C-O 3.59Å; F716-C840 VanDerWaalsContact CA-O 3.28Å; F716-C840 WeakPolarHBondContact CA-O 3.07Å; R717-C840 PolarHBondContact N-O 3.08Å; R717-C840 PolarHBondContact O-N 3.47Å; W784-C840 HydrophobicContact CH2-CB 3.44Å; W784-C840 VanDerWaalsContact CH2-CB 3.44Å; W784-C840 HydrophobicContact CZ2-CB 4.06Å; W784-C840 HydrophobicContact CZ3-CB 4.13Å; W784-C840 WeakPolarHBondContact CZ3-O 3.43Å; Y837-C840 PolarHBondContact OH-O 3.47Å; C840-C869 HydrophobicContact CB-CB 3.59Å; C840-C869 WeakPolarHBondContact CB-SG 3.42Å; C840-C869 VanDerWaalsContact SG-CA 3.59Å; C840-C869 WeakPolarHBondContact SG-CB 3.39Å; C840-C869 CovalentContact SG-SG 2.03Å; C840-C869 PolarHBondContact SG-SG 2.76Å; C840-Y888 WeakPolarHBondContact SG-CE1 3.17Å; C840-Y888 PolarHBondContact SG-OH 3.11Å |
| 841 | L | 90 | Very high | 79 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.7 | 173.3 | -61.6 | -173.2 | 0 | 0 | 0 | 110.5 | I692 V693 F695 L714 W715 F716 I726 I826 Y837 F853 | I692-L841 WeakPolarHBondContact CA-O 3.31Å; V693-L841 HydrophobicContact CG2-CB 4.18Å; V693-L841 PolarHBondContact N-O 2.82Å; V693-L841 PolarHBondContact O-N 2.77Å; F695-L841 HydrophobicContact CD2-CD1 4.31Å; F695-L841 HydrophobicContact CD2-CG 4.29Å; F695-L841 HydrophobicContact CE2-CD1 3.71Å; F695-L841 HydrophobicContact CE2-CG 4.09Å; F695-L841 HydrophobicContact CZ-CD1 4.32Å; L714-L841 HydrophobicContact CD1-CB 4.15Å; L714-L841 HydrophobicContact CD1-CD1 4.4Å; L714-L841 HydrophobicContact CD1-CD2 4.22Å; L714-L841 HydrophobicContact CD1-CG 4.49Å; L714-L841 HydrophobicContact CD2-CD1 4.46Å; L714-L841 HydrophobicContact CD2-CD2 4.19Å; L714-L841 HydrophobicContact CG-CD2 4.39Å; W715-L841 WeakPolarHBondContact O-CA 3.39Å; F716-L841 HydrophobicContact CB-CD2 3.64Å; I726-L841 HydrophobicContact CG2-CD1 4.42Å; I726-L841 HydrophobicContact CG2-CD2 4.07Å; I826-L841 HydrophobicContact CG2-CD1 3.5Å; I826-L841 VanDerWaalsContact CG2-CD1 3.5Å; Y837-L841 HydrophobicContact CD1-CD2 4.42Å; Y837-L841 HydrophobicContact CD1-CG 4.44Å; Y837-L841 HydrophobicContact CE1-CD2 3.62Å; Y837-L841 HydrophobicContact CE1-CG 3.87Å; L841-F853 HydrophobicContact CB-CE2 4.35Å; L841-F853 HydrophobicContact CB-CZ 4.36Å; L841-F853 WeakPolarHBondContact O-CE2 3.27Å |
| 842 | M | 86.3 | Confident | 79.1 | Confident | 34 Ų | 34 | 40.9 Ų | 40.9 | 17% | 0.167 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 153.5 | 176.7 | 178.6 | 173.7 | 67.4 | 0 | 0 | 111.4 | D691 I692 W715 W784 L844 | D691-M842 WeakPolarHBondContact O-CA 3.26Å; D691-M842 WeakPolarHBondContact O-CG 3.4Å; I692-M842 HydrophobicContact CD1-SD 3.8Å; I692-M842 HydrophobicContact CG1-CB 4.21Å; I692-M842 HydrophobicContact CG1-CG 3.93Å; I692-M842 HydrophobicContact CG1-SD 3.66Å; W715-M842 HydrophobicContact CB-CB 4.25Å; W715-M842 HydrophobicContact CB-CE 4.48Å; W715-M842 WeakPolarHBondContact CB-O 3.2Å; W715-M842 PolarHBondContact N-O 3.48Å; W715-M842 PolarHBondContact O-N 2.03Å; W784-M842 HydrophobicContact CD2-CE 4.38Å; W784-M842 HydrophobicContact CE3-CB 4.36Å; W784-M842 HydrophobicContact CH2-CB 3.85Å; W784-M842 HydrophobicContact CZ3-CB 3.74Å; M842-L844 PolarHBondContact O-N 3.29Å |
| 843 | Q | 79.4 | Confident | 79.5 | Confident | 53 Ų | 53 | 37.9 Ų | 37.9 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.6 | 47.6 | 168.2 | -79.1 | -179.3 | 21.6 | 0 | 0 | 114.3 | N845 | Q843-N845 PolarHBondContact O-N 2.76Å |
| 844 | L | 88.7 | Confident | 80 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 114.4 | 173.3 | 178.4 | 63.1 | 0 | 0 | 0 | 110.7 | I704 L713 L714 I826 M842 L846 I851 F853 F857 | I704-L844 HydrophobicContact CD1-CD2 3.57Å; L713-L844 CarbonylContact O-C 3.59Å; L713-L844 WeakPolarHBondContact O-CA 3.42Å; L714-L844 HydrophobicContact CB-CD1 4.09Å; L714-L844 HydrophobicContact CD1-CB 3.99Å; L714-L844 HydrophobicContact CD1-CD1 4.06Å; L714-L844 HydrophobicContact CG-CD1 4.45Å; I826-L844 HydrophobicContact CD1-CD2 3.41Å; I826-L844 VanDerWaalsContact CD1-CD2 3.41Å; M842-L844 PolarHBondContact O-N 3.29Å; L844-L846 HydrophobicContact CD1-CD2 4.07Å; L844-L846 HydrophobicContact CD1-CG 4.35Å; L844-L846 HydrophobicContact CG-CG 4.49Å; L844-I851 HydrophobicContact CB-CB 4.29Å; L844-I851 HydrophobicContact CD2-CB 4.02Å; L844-I851 HydrophobicContact CD2-CG1 3.93Å; L844-I851 HydrophobicContact CD2-CG2 4.24Å; L844-I851 HydrophobicContact CG-CB 4.14Å; L844-I851 HydrophobicContact CG-CG1 3.9Å; L844-I851 PolarHBondContact O-N 3.14Å; L844-F853 HydrophobicContact CB-CE1 3.57Å; L844-F853 HydrophobicContact CB-CZ 3.71Å; L844-F853 HydrophobicContact CD2-CE1 4.11Å; L844-F857 HydrophobicContact CD2-CZ 4.38Å |
| 845 | N | 84.3 | Confident | 80.2 | Confident | 28 Ų | 28 | 29.7 Ų | 29.7 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.9 | 169.3 | -57.8 | -19.3 | 0 | 0 | 0 | 110.2 | L713 Q843 H849 A850 | L713-N845 HydrophobicContact CB-CB 4.24Å; L713-N845 PolarHBondContact N-O 3.38Å; L713-N845 PolarHBondContact O-N 2.81Å; Q843-N845 PolarHBondContact O-N 2.76Å; N845-H849 CarbonylContact C-O 3.55Å; N845-H849 VanDerWaalsContact CA-O 3.24Å; N845-H849 WeakPolarHBondContact CA-O 3.25Å; N845-A850 WeakPolarHBondContact OD1-CA 3.41Å; N845-A850 WeakPolarHBondContact OD1-CB 3.49Å |
| 846 | L | 86 | Confident | 80 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.8 | 173.7 | -63.7 | -178.4 | 0 | 0 | 0 | 109.8 | I704 I712 M824 L844 G848 H849 I851 | I704-L846 HydrophobicContact CD1-CD1 3.71Å; I712-L846 HydrophobicContact CB-CD2 4.37Å; I712-L846 HydrophobicContact CG1-CD2 4.02Å; I712-L846 HydrophobicContact CG2-CD2 4.02Å; M824-L846 HydrophobicContact CE-CD1 4.43Å; M824-L846 HydrophobicContact CE-CD2 4.24Å; M824-L846 HydrophobicContact SD-CD1 3.87Å; M824-L846 HydrophobicContact SD-CD2 4.12Å; L844-L846 HydrophobicContact CD1-CD2 4.07Å; L844-L846 HydrophobicContact CD1-CG 4.35Å; L844-L846 HydrophobicContact CG-CG 4.49Å; L846-G848 PolarHBondContact O-N 2.8Å; L846-H849 PolarHBondContact N-O 2.76Å; L846-H849 PolarHBondContact O-N 3.44Å; L846-I851 HydrophobicContact CD1-CD1 4.37Å; L846-I851 HydrophobicContact CD1-CG1 4.39Å; L846-I851 HydrophobicContact CG-CG1 4.27Å |
| 847 | D | 80.8 | Confident | 79.4 | Confident | 22 Ų | 22 | 30.9 Ų | 30.9 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 17 | 178.5 | -51.8 | -64.4 | 0 | 0 | 0 | 115.3 | W707 K708 K710 S711 | W707-D847 VanDerWaalsContact CD1-OD2 3.3Å; W707-D847 PolarHBondContact NE1-OD1 3.4Å; W707-D847 VanDerWaalsContact NE1-OD1 3.07Å; K708-D847 WeakPolarHBondContact CA-OD2 3.07Å; K708-D847 WeakPolarHBondContact CB-OD2 3.23Å; K708-D847 PolarHBondContact N-OD2 2.87Å; K710-D847 WeakPolarHBondContact CA-OD1 3.16Å; K710-D847 HydrophobicContact CB-CB 4.23Å; K710-D847 VanDerWaalsContact CB-OD1 3.25Å; K710-D847 WeakPolarHBondContact CB-OD1 3.3Å; K710-D847 PolarHBondContact N-OD1 2.81Å; S711-D847 PolarHBondContact N-OD1 3.45Å; S711-D847 VanDerWaalsContact N-OD1 3.08Å; S711-D847 PolarHBondContact O-N 3.12Å; S711-D847 WeakPolarHBondContact OG-CA 3.21Å |
| 848 | G | 69.9 | Low | 78.5 | Confident | 38 Ų | 38 | 32.8 Ų | 32.8 | 39% | 0.392 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 106.4 | -4.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | L846 | L846-G848 PolarHBondContact O-N 2.8Š|
| 849 | H | 70.9 | Confident | 77.7 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.1 | -178.8 | -59.3 | -49.1 | 0 | 0 | 0 | 111.8 | Y211 N845 L846 | Y211-H849 AromaticContact CZ-CE1 3.84Å; Y211-H849 PolarHBondContact OH-CE1 3.35Å; Y211-H849 PolarHBondContact OH-ND1 2.96Å; N845-H849 CarbonylContact C-O 3.55Å; N845-H849 VanDerWaalsContact CA-O 3.24Å; N845-H849 WeakPolarHBondContact CA-O 3.25Å; L846-H849 PolarHBondContact N-O 2.76Å; L846-H849 PolarHBondContact O-N 3.44Å |
| 850 | A | 72.5 | Confident | 76.6 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 50% | 0.496 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | N845 | N845-A850 WeakPolarHBondContact OD1-CA 3.41Å; N845-A850 WeakPolarHBondContact OD1-CB 3.49Å |
| 851 | I | 80.5 | Confident | 75.3 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | trans | -93.8 | 111.5 | 179.4 | -54.5 | -58.6 | 0 | 0 | 0 | 109.3 | I704 L844 L846 F853 N856 F857 | I704-I851 HydrophobicContact CD1-CG1 4.23Å; I704-I851 HydrophobicContact CD1-CG2 4.2Å; L844-I851 HydrophobicContact CB-CB 4.29Å; L844-I851 HydrophobicContact CD2-CB 4.02Å; L844-I851 HydrophobicContact CD2-CG1 3.93Å; L844-I851 HydrophobicContact CD2-CG2 4.24Å; L844-I851 HydrophobicContact CG-CB 4.14Å; L844-I851 HydrophobicContact CG-CG1 3.9Å; L844-I851 PolarHBondContact O-N 3.14Å; L846-I851 HydrophobicContact CD1-CD1 4.37Å; L846-I851 HydrophobicContact CD1-CG1 4.39Å; L846-I851 HydrophobicContact CG-CG1 4.27Å; I851-F853 WeakPolarHBondContact O-CD1 3.24Å; I851-F853 PolarHBondContact O-N 2.99Å; I851-N856 HydrophobicContact CG2-CB 4.24Å; I851-F857 HydrophobicContact CG2-CE2 4.18Å | ||
| 852 | D | 73.1 | Confident | 74.2 | Confident | 39 Ų | 39 | 54 Ų | 54 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | trans | -65 | 112.2 | 175.2 | 179.5 | -26.8 | 0 | 0 | 0 | 110.7 | E854 Q855 N856 | D852-E854 WeakPolarHBondContact OD1-CA 3.24Å; D852-E854 WeakPolarHBondContact OD1-CB 3.04Å; D852-E854 PolarHBondContact OD1-N 3.41Å; D852-Q855 HydrophobicContact CB-CB 4.23Å; D852-Q855 PolarHBondContact OD1-N 2.88Å; D852-Q855 WeakPolarHBondContact OD2-CG 3.36Å; D852-Q855 PolarHBondContact OD2-NE2 3.11Å; D852-N856 WeakPolarHBondContact O-CB 3.28Å; D852-N856 PolarHBondContact O-N 2.8Å; D852-N856 PolarHBondContact O-ND2 2.81Å | ||
| 853 | F | 77.2 | Confident | 73.7 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.7 | -29.9 | 179.3 | -71.5 | -6.9 | 0 | 0 | 0 | 113.4 | D691 V693 L841 L844 I851 Q855 F857 L858 | D691-F853 VanDerWaalsContact O-CD2 3.27Å; D691-F853 WeakPolarHBondContact O-CD2 3.47Å; D691-F853 WeakPolarHBondContact O-CE2 3.5Å; V693-F853 HydrophobicContact CB-CD2 4.33Å; V693-F853 HydrophobicContact CG1-CB 3.89Å; V693-F853 HydrophobicContact CG1-CD2 3.86Å; V693-F853 HydrophobicContact CG1-CG 4.16Å; V693-F853 HydrophobicContact CG2-CD2 3.72Å; V693-F853 HydrophobicContact CG2-CE2 3.79Å; V693-F853 HydrophobicContact CG2-CG 4.37Å; V693-F853 HydrophobicContact CG2-CZ 4.47Å; L841-F853 HydrophobicContact CB-CE2 4.35Å; L841-F853 HydrophobicContact CB-CZ 4.36Å; L841-F853 WeakPolarHBondContact O-CE2 3.27Å; L844-F853 HydrophobicContact CB-CE1 3.57Å; L844-F853 HydrophobicContact CB-CZ 3.71Å; L844-F853 HydrophobicContact CD2-CE1 4.11Å; I851-F853 WeakPolarHBondContact O-CD1 3.24Å; I851-F853 PolarHBondContact O-N 2.99Å; F853-Q855 VanDerWaalsContact C-N 3.31Å; F853-Q855 PolarHBondContact O-N 2.87Å; F853-F857 HydrophobicContact CB-CD2 4.23Å; F853-F857 HydrophobicContact CB-CG 4.45Å; F853-F857 AromaticContact CD1-CD2 3.57Å; F853-F857 HydrophobicContact CD1-CD2 3.57Å; F853-F857 HydrophobicContact CD1-CE1 4.39Å; F853-F857 AromaticContact CD1-CE2 3.36Å; F853-F857 HydrophobicContact CD1-CE2 3.36Å; F853-F857 HydrophobicContact CD1-CG 4.23Å; F853-F857 AromaticContact CD1-CZ 3.82Å; F853-F857 HydrophobicContact CD1-CZ 3.82Å; F853-F857 HydrophobicContact CE1-CD2 4.22Å; F853-F857 HydrophobicContact CE1-CE1 4.23Å; F853-F857 AromaticContact CE1-CE2 3.59Å; F853-F857 HydrophobicContact CE1-CE2 3.59Å; F853-F857 AromaticContact CE1-CZ 3.59Å; F853-F857 HydrophobicContact CE1-CZ 3.59Å; F853-F857 HydrophobicContact CG-CD2 4.13Å; F853-F857 HydrophobicContact CG-CE2 4.32Å; F853-F857 HydrophobicContact CG-CG 4.44Å; F853-F857 HydrophobicContact CZ-CZ 4.38Å; F853-F857 WeakPolarHBondContact O-CA 3.46Å; F853-F857 WeakPolarHBondContact O-CB 3.45Å; F853-F857 PolarHBondContact O-N 2.82Å; F853-L858 PolarHBondContact O-N 3.01Å; F853-L858 VanDerWaalsContact O-N 3.07Å |
| 854 | E | 71.4 | Confident | 73.6 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -60.6 | -45.1 | 173.7 | -173.9 | 170.7 | -149.6 | 0 | 0 | 109.8 | K683 K690 D852 K859 | K683-E854 IonicContact NZ-OE1 3.37Å; K683-E854 IonicContact NZ-OE2 2.71Å; K683-E854 PolarHBondContact NZ-OE2 2.55Å; K690-E854 IonicContact NZ-OE1 3.41Å; K690-E854 PolarHBondContact NZ-OE1 2.95Å; K690-E854 IonicContact NZ-OE2 3.36Å; D852-E854 WeakPolarHBondContact OD1-CA 3.24Å; D852-E854 WeakPolarHBondContact OD1-CB 3.04Å; D852-E854 PolarHBondContact OD1-N 3.41Å; E854-K859 VanDerWaalsContact O-CB 3.32Å; E854-K859 WeakPolarHBondContact O-CB 3.45Å; E854-K859 PolarHBondContact O-N 2.78Å |
| 855 | Q | 70.1 | Confident | 73.4 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -77.5 | -38.5 | 179.4 | -71.2 | -172.3 | 68.8 | 0 | 0 | 114.7 | D852 F853 F860 | D852-Q855 HydrophobicContact CB-CB 4.23Å; D852-Q855 PolarHBondContact OD1-N 2.88Å; D852-Q855 WeakPolarHBondContact OD2-CG 3.36Å; D852-Q855 PolarHBondContact OD2-NE2 3.11Å; F853-Q855 VanDerWaalsContact C-N 3.31Å; F853-Q855 PolarHBondContact O-N 2.87Å; Q855-F860 VanDerWaalsContact O-CE2 3.29Å; Q855-F860 WeakPolarHBondContact O-CE2 3.27Å |
| 856 | N | 70.6 | Confident | 73.3 | Confident | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -95.1 | -25.2 | -171.9 | -69.8 | -89 | 0 | 0 | 0 | 114.3 | I704 I851 D852 | I704-N856 HydrophobicContact CG2-CB 4.07Å; I851-N856 HydrophobicContact CG2-CB 4.24Å; D852-N856 WeakPolarHBondContact O-CB 3.28Å; D852-N856 PolarHBondContact O-N 2.8Å; D852-N856 PolarHBondContact O-ND2 2.81Å |
| 857 | F | 73.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -115.6 | -47.2 | -171 | -65.9 | -125.4 | 0 | 0 | 0 | 111.7 | V693 F695 I702 I704 I826 L844 I851 F853 T862 V865 | V693-F857 HydrophobicContact CG1-CB 4.24Å; V693-F857 HydrophobicContact CG2-CD1 3.87Å; V693-F857 HydrophobicContact CG2-CE1 4.24Å; F695-F857 HydrophobicContact CE2-CD1 4.25Å; F695-F857 HydrophobicContact CE2-CE1 4.12Å; F695-F857 AromaticContact CZ-CD1 3.99Å; F695-F857 HydrophobicContact CZ-CD1 3.99Å; F695-F857 AromaticContact CZ-CE1 3.83Å; F695-F857 HydrophobicContact CZ-CE1 3.83Å; I702-F857 HydrophobicContact CB-CD1 4.45Å; I702-F857 HydrophobicContact CB-CE1 4.5Å; I702-F857 HydrophobicContact CD1-CB 3.72Å; I702-F857 HydrophobicContact CD1-CD1 3.27Å; I702-F857 HydrophobicContact CD1-CE1 4.05Å; I702-F857 HydrophobicContact CD1-CG 3.65Å; I702-F857 HydrophobicContact CG1-CD1 4.43Å; I702-F857 HydrophobicContact CG2-CD1 4.25Å; I702-F857 HydrophobicContact CG2-CD2 4.32Å; I702-F857 HydrophobicContact CG2-CE1 4.32Å; I702-F857 HydrophobicContact CG2-CE2 4.37Å; I702-F857 HydrophobicContact CG2-CG 4.23Å; I702-F857 HydrophobicContact CG2-CZ 4.37Å; I704-F857 HydrophobicContact CG2-CE2 4.04Å; I704-F857 HydrophobicContact CG2-CZ 4.49Å; I826-F857 HydrophobicContact CD1-CZ 3.86Å; I826-F857 HydrophobicContact CG2-CE1 4.12Å; I826-F857 HydrophobicContact CG2-CZ 4.43Å; L844-F857 HydrophobicContact CD2-CZ 4.38Å; I851-F857 HydrophobicContact CG2-CE2 4.18Å; F853-F857 HydrophobicContact CB-CD2 4.23Å; F853-F857 HydrophobicContact CB-CG 4.45Å; F853-F857 AromaticContact CD1-CD2 3.57Å; F853-F857 HydrophobicContact CD1-CD2 3.57Å; F853-F857 HydrophobicContact CD1-CE1 4.39Å; F853-F857 AromaticContact CD1-CE2 3.36Å; F853-F857 HydrophobicContact CD1-CE2 3.36Å; F853-F857 HydrophobicContact CD1-CG 4.23Å; F853-F857 AromaticContact CD1-CZ 3.82Å; F853-F857 HydrophobicContact CD1-CZ 3.82Å; F853-F857 HydrophobicContact CE1-CD2 4.22Å; F853-F857 HydrophobicContact CE1-CE1 4.23Å; F853-F857 AromaticContact CE1-CE2 3.59Å; F853-F857 HydrophobicContact CE1-CE2 3.59Å; F853-F857 AromaticContact CE1-CZ 3.59Å; F853-F857 HydrophobicContact CE1-CZ 3.59Å; F853-F857 HydrophobicContact CG-CD2 4.13Å; F853-F857 HydrophobicContact CG-CE2 4.32Å; F853-F857 HydrophobicContact CG-CG 4.44Å; F853-F857 HydrophobicContact CZ-CZ 4.38Å; F853-F857 WeakPolarHBondContact O-CA 3.46Å; F853-F857 WeakPolarHBondContact O-CB 3.45Å; F853-F857 PolarHBondContact O-N 2.82Å; F857-T862 PolarHBondContact O-OG1 2.82Å; F857-V865 HydrophobicContact CB-CG1 4.43Å |
| 858 | L | 66.9 | Low | 73 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -89.1 | -39.8 | -169.5 | -60.4 | 173.6 | 0 | 0 | 0 | 113.6 | V693 F853 F860 N861 A867 | V693-L858 HydrophobicContact CG1-CD1 4.27Å; V693-L858 HydrophobicContact CG1-CD2 4.01Å; V693-L858 HydrophobicContact CG1-CG 4.09Å; F853-L858 PolarHBondContact O-N 3.01Å; F853-L858 VanDerWaalsContact O-N 3.07Å; L858-F860 PolarHBondContact O-N 3.03Å; L858-F860 VanDerWaalsContact O-N 3.08Å; L858-N861 PolarHBondContact O-N 2.83Å; L858-A867 HydrophobicContact CD1-CB 3.57Å; L858-A867 HydrophobicContact CD2-CB 3.89Å; L858-A867 HydrophobicContact CG-CB 4.39Å |
| 859 | K | 65.9 | Low | 73.5 | Confident | 159 Ų | 159 | 61.6 Ų | 61.6 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27 | -177.4 | -173.8 | 175.7 | -179.7 | -177.1 | 0 | 114.2 | E854 N861 | E854-K859 VanDerWaalsContact O-CB 3.32Å; E854-K859 WeakPolarHBondContact O-CB 3.45Å; E854-K859 PolarHBondContact O-N 2.78Å; K859-N861 VanDerWaalsContact C-N 3.32Å |
| 860 | F | 63.8 | Low | 73.8 | Confident | 147 Ų | 147 | 63.7 Ų | 63.7 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.5 | -179.5 | -60.6 | -72.9 | 0 | 0 | 0 | 114.1 | Q855 L858 T862 | Q855-F860 VanDerWaalsContact O-CE2 3.29Å; Q855-F860 WeakPolarHBondContact O-CE2 3.27Å; L858-F860 PolarHBondContact O-N 3.03Å; L858-F860 VanDerWaalsContact O-N 3.08Å; F860-T862 PolarHBondContact O-N 2.94Å |
| 861 | N | 60.3 | Low | 74 | Confident | 149 Ų | 149 | 63.3 Ų | 63.3 | 80% | 0.797 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.1 | -178.4 | -155.6 | 30.2 | 0 | 0 | 0 | 112.6 | L858 K859 S863 | L858-N861 PolarHBondContact O-N 2.83Å; K859-N861 VanDerWaalsContact C-N 3.32Å; N861-S863 PolarHBondContact O-N 2.8Å |
| 862 | T | 67 | Low | 73.7 | Confident | 35 Ų | 35 | 63 Ų | 63 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | trans | -61.3 | 117 | -172.3 | -43.5 | 0 | 0 | 0 | 0 | 110.7 | I702 F857 F860 G864 V865 | I702-T862 HydrophobicContact CD1-CG2 4.2Å; I702-T862 HydrophobicContact CG1-CG2 3.88Å; F857-T862 PolarHBondContact O-OG1 2.82Å; F860-T862 PolarHBondContact O-N 2.94Å; T862-G864 PolarHBondContact O-N 3.1Å; T862-V865 HydrophobicContact CG2-CG2 4.45Å; T862-V865 PolarHBondContact O-N 2.82Å; T862-V865 VanDerWaalsContact O-N 3.07Å | ||
| 863 | S | 74.4 | Confident | 73.6 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 69% | 0.685 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130.8 | 178.7 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | N861 | N861-S863 PolarHBondContact O-N 2.8Š|
| 864 | G | 77.9 | Confident | 73.3 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 4.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F695 T696 T862 | F695-G864 WeakPolarHBondContact CA-O 3.27Å; T696-G864 PolarHBondContact N-O 2.84Å; T696-G864 WeakPolarHBondContact OG1-CA 3.41Å; T696-G864 PolarHBondContact OG1-O 2.72Å; T862-G864 PolarHBondContact O-N 3.1Å |
| 865 | V | 85 | Confident | 73.1 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.7 | 171.2 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | V693 Q694 F695 A700 I702 F857 T862 | V693-V865 HydrophobicContact CB-CG1 3.97Å; V693-V865 HydrophobicContact CG1-CG1 4.37Å; Q694-V865 WeakPolarHBondContact O-CA 3.28Å; F695-V865 HydrophobicContact CD1-CG2 3.83Å; F695-V865 HydrophobicContact CE1-CG2 3.74Å; F695-V865 HydrophobicContact CG-CG2 4.28Å; F695-V865 HydrophobicContact CZ-CG2 4.13Å; A700-V865 HydrophobicContact CB-CG2 3.56Å; I702-V865 HydrophobicContact CD1-CB 4.23Å; I702-V865 HydrophobicContact CD1-CG1 4.16Å; I702-V865 HydrophobicContact CD1-CG2 3.69Å; F857-V865 HydrophobicContact CB-CG1 4.43Å; T862-V865 HydrophobicContact CG2-CG2 4.45Å; T862-V865 PolarHBondContact O-N 2.82Å; T862-V865 VanDerWaalsContact O-N 3.07Å |
| 866 | K | 82.5 | Confident | 73 | Confident | 115 Ų | 115 | 73.1 Ų | 73.1 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 153.9 | -178.4 | -63.5 | 176.8 | -177.1 | 172.9 | 0 | 111 | V693 Q694 T696 | V693-K866 CarbonylContact C-O 3.55Å; V693-K866 VanDerWaalsContact CA-O 3.29Å; V693-K866 WeakPolarHBondContact CA-O 3.41Å; Q694-K866 PolarHBondContact N-O 3.14Å; Q694-K866 PolarHBondContact O-N 3.4Å; T696-K866 HydrophobicContact CG2-CD 4.35Å |
| 867 | A | 81.5 | Confident | 73.1 | Confident | 56 Ų | 56 | 71.5 Ų | 71.5 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | L858 | L858-A867 HydrophobicContact CD1-CB 3.57Å; L858-A867 HydrophobicContact CD2-CB 3.89Å; L858-A867 HydrophobicContact CG-CB 4.39Å |
| 868 | G | 79.3 | Confident | 73.3 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 77.3 | -174 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S689 I692 V693 Q694 | S689-G868 PolarHBondContact O-N 3.12Å; I692-G868 WeakPolarHBondContact O-CA 3.33Å; I692-G868 PolarHBondContact O-N 3.38Å; V693-G868 CarbonylContact C-O 3.54Å; Q694-G868 WeakPolarHBondContact CB-O 3.36Å; Q694-G868 PolarHBondContact N-O 3.15Å; Q694-G868 VanDerWaalsContact N-O 3.15Å |
| 869 | C | 80.3 | Confident | 74 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 25% | 0.25 | 40% | 0.398 | C | S | . | . | trans | -137.7 | 121.9 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 108 | I692 W784 C840 Y888 | I692-C869 HydrophobicContact CG2-CB 3.48Å; I692-C869 VanDerWaalsContact CG2-CB 3.48Å; W784-C869 HydrophobicContact CZ2-CB 4.17Å; C840-C869 HydrophobicContact CB-CB 3.59Å; C840-C869 WeakPolarHBondContact CB-SG 3.42Å; C840-C869 VanDerWaalsContact SG-CA 3.59Å; C840-C869 WeakPolarHBondContact SG-CB 3.39Å; C840-C869 CovalentContact SG-SG 2.03Å; C840-C869 PolarHBondContact SG-SG 2.76Å; C869-Y888 PolarHBondContact SG-OH 2.88Å | ||
| 870 | Q | 76.6 | Confident | 74.5 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 54% | 0.537 | 38% | 0.38 | S | S | . | . | trans | -78.9 | 126.6 | 176.4 | -171.9 | 165.9 | 3.3 | 0 | 0 | 109.7 | F872 | Q870-F872 HydrophobicContact CB-CE1 4.21Å; Q870-F872 HydrophobicContact CB-CE2 3.99Å; Q870-F872 HydrophobicContact CB-CZ 3.77Å; Q870-F872 HydrophobicContact CG-CD1 4.03Å; Q870-F872 HydrophobicContact CG-CE1 3.62Å; Q870-F872 HydrophobicContact CG-CE2 4.21Å; Q870-F872 HydrophobicContact CG-CG 4.48Å; Q870-F872 HydrophobicContact CG-CZ 3.73Å | ||
| 871 | N | 76.1 | Confident | 75 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | trans | -92.9 | 102.7 | 174.9 | -175.8 | -1.6 | 0 | 0 | 0 | 109 | R717 E782 C873 H874 E886 | R717-N871 VanDerWaalsContact NH2-CG 3.28Å; R717-N871 PolarHBondContact NH2-OD1 2.57Å; E782-N871 PolarHBondContact OE1-ND2 2.61Å; E782-N871 PolarHBondContact OE1-OD1 2.75Å; E782-N871 PolarHBondContact OE2-ND2 3.33Å; N871-C873 PolarHBondContact OD1-N 3.45Å; N871-H874 HydrophobicContact CB-CB 4.31Å; N871-H874 PolarHBondContact OD1-N 2.85Å; N871-E886 VanDerWaalsContact CA-OE1 3.3Å; N871-E886 WeakPolarHBondContact CA-OE1 3.44Å; N871-E886 PolarHBondContact OD1-OE1 2.98Å | ||
| 872 | F | 73.8 | Confident | 75.8 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -80.9 | -18.6 | -175.1 | -60.7 | -80.4 | 0 | 0 | 0 | 113 | Q870 E886 Y888 S891 S892 F893 | Q870-F872 HydrophobicContact CB-CE1 4.21Å; Q870-F872 HydrophobicContact CB-CE2 3.99Å; Q870-F872 HydrophobicContact CB-CZ 3.77Å; Q870-F872 HydrophobicContact CG-CD1 4.03Å; Q870-F872 HydrophobicContact CG-CE1 3.62Å; Q870-F872 HydrophobicContact CG-CE2 4.21Å; Q870-F872 HydrophobicContact CG-CG 4.48Å; Q870-F872 HydrophobicContact CG-CZ 3.73Å; F872-E886 HydrophobicContact CB-CG 4.3Å; F872-E886 HydrophobicContact CD2-CB 4.41Å; F872-E886 HydrophobicContact CD2-CG 4.49Å; F872-E886 PolarHBondContact N-OE1 2.82Å; F872-Y888 HydrophobicContact CE2-CD1 4.25Å; F872-Y888 HydrophobicContact CE2-CE1 4.27Å; F872-S891 WeakPolarHBondContact CE1-O 3.41Å; F872-S892 WeakPolarHBondContact CB-O 3.36Å; F872-S892 WeakPolarHBondContact CG-O 3.44Å; F872-F893 HydrophobicContact CB-CB 3.95Å |
| 873 | C | 72 | Confident | 76.2 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -91 | -8.3 | -179.7 | -72.8 | 0 | 0 | 0 | 0 | 114.9 | E782 N871 Q875 S876 C884 | E782-C873 HydrophobicContact CG-CB 4.26Å; E782-C873 VanDerWaalsContact OE1-C 3.29Å; N871-C873 PolarHBondContact OD1-N 3.45Å; C873-Q875 PolarHBondContact O-N 3.34Å; C873-S876 PolarHBondContact O-N 2.93Å; C873-C884 WeakPolarHBondContact CA-SG 3.38Å; C873-C884 HydrophobicContact CB-CB 3.8Å; C873-C884 WeakPolarHBondContact CB-SG 3.45Å; C873-C884 VanDerWaalsContact SG-C 3.6Å; C873-C884 WeakPolarHBondContact SG-CB 3.49Å; C873-C884 CovalentContact SG-SG 2.04Å; C873-C884 PolarHBondContact SG-SG 2.8Å |
| 874 | H | 70.4 | Confident | 76.3 | Confident | 136 Ų | 136 | 57.9 Ų | 57.9 | 63% | 0.63 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.4 | -169.6 | -173.5 | 52.1 | 0 | 0 | 0 | 115.3 | E782 N871 S876 | E782-H874 WeakPolarHBondContact OE1-CA 2.98Å; E782-H874 PolarHBondContact OE1-N 2.63Å; N871-H874 HydrophobicContact CB-CB 4.31Å; N871-H874 PolarHBondContact OD1-N 2.85Å; H874-S876 VanDerWaalsContact C-N 3.27Å; H874-S876 PolarHBondContact O-N 3.25Å |
| 875 | Q | 67.7 | Low | 76.1 | Confident | 180 Ų | 180 | 61.2 Ų | 61.2 | 84% | 0.841 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 8 | 179.3 | -65.7 | -174.4 | -10.7 | 0 | 0 | 113.6 | C873 | C873-Q875 PolarHBondContact O-N 3.34Š|
| 876 | S | 67.7 | Low | 75.7 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | trans | 45.9 | 56.8 | -174.9 | -58.3 | 0 | 0 | 0 | 0 | 113 | C873 H874 C878 | C873-S876 PolarHBondContact O-N 2.93Å; H874-S876 VanDerWaalsContact C-N 3.27Å; H874-S876 PolarHBondContact O-N 3.25Å; S876-C878 PolarHBondContact O-N 2.65Å | ||
| 877 | P | 73.1 | Confident | 75.3 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | trans | -69.4 | -18.3 | -169.6 | 29.5 | -36.8 | 0 | 0 | 0 | 114.1 | F893 N907 | P877-F893 HydrophobicContact CB-CD1 4.38Å; P877-F893 HydrophobicContact CB-CD2 4.07Å; P877-F893 HydrophobicContact CB-CE1 3.87Å; P877-F893 HydrophobicContact CB-CE2 3.52Å; P877-F893 HydrophobicContact CB-CG 4.48Å; P877-F893 HydrophobicContact CB-CZ 3.42Å; P877-F893 VanDerWaalsContact CB-CZ 3.42Å; P877-F893 HydrophobicContact CG-CD1 3.87Å; P877-F893 HydrophobicContact CG-CD2 3.43Å; P877-F893 VanDerWaalsContact CG-CD2 3.43Å; P877-F893 HydrophobicContact CG-CE1 3.88Å; P877-F893 HydrophobicContact CG-CE2 3.45Å; P877-F893 VanDerWaalsContact CG-CE2 3.45Å; P877-F893 HydrophobicContact CG-CG 3.67Å; P877-F893 HydrophobicContact CG-CZ 3.69Å; P877-N907 WeakPolarHBondContact O-CB 3.5Å | ||
| 878 | C | 76.8 | Confident | 74.9 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 10% | 0.101 | 29% | 0.294 | C | S | . | . | trans | -83.8 | 126.1 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | S876 G882 C884 C895 N907 | S876-C878 PolarHBondContact O-N 2.65Å; C878-G882 VanDerWaalsContact CB-O 3.22Å; C878-G882 WeakPolarHBondContact CB-O 3.32Å; C878-C884 WeakPolarHBondContact SG-CA 3.49Å; C878-C884 WeakPolarHBondContact SG-CB 3.35Å; C878-C895 WeakPolarHBondContact CA-SG 3.25Å; C878-C895 HydrophobicContact CB-CB 3.76Å; C878-C895 WeakPolarHBondContact CB-SG 3.39Å; C878-C895 WeakPolarHBondContact SG-CA 3.48Å; C878-C895 WeakPolarHBondContact SG-CB 3.25Å; C878-C895 CovalentContact SG-SG 2.03Å; C878-C895 PolarHBondContact SG-SG 2.03Å; C878-N907 CarbonylContact C-O 3.58Å; C878-N907 WeakPolarHBondContact CA-O 3.43Å | ||
| 879 | L | 82.1 | Confident | 74.2 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | trans | -99.9 | 175.8 | -178.1 | -57.1 | -176.4 | 0 | 0 | 0 | 111.5 | G881 G882 N907 C908 E909 | L879-G881 VanDerWaalsContact C-N 3.26Å; L879-G881 PolarHBondContact O-N 2.97Å; L879-G882 PolarHBondContact O-N 2.85Å; L879-N907 PolarHBondContact N-O 2.74Å; L879-C908 WeakPolarHBondContact O-CB 3.47Å; L879-E909 HydrophobicContact CD1-CB 3.9Å | ||
| 880 | N | 77.2 | Confident | 73.7 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 47.1 | 178.9 | -56.7 | -47.8 | 0 | 0 | 0 | 112.7 | G882 H903 C908 E909 | N880-G882 PolarHBondContact O-N 3.46Å; N880-H903 HydrophobicContact CB-CB 4.34Å; N880-H903 WeakPolarHBondContact CB-ND1 3.18Å; N880-H903 PolarHBondContact O-CE1 3.4Å; N880-H903 PolarHBondContact O-ND1 2.9Å; N880-C908 PolarHBondContact ND2-O 3.35Å; N880-E909 PolarHBondContact ND2-O 2.79Å; N880-E909 VanDerWaalsContact ND2-O 3.13Å |
| 881 | G | 73.7 | Confident | 73.5 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 9.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L879 K883 | L879-G881 VanDerWaalsContact C-N 3.26Å; L879-G881 PolarHBondContact O-N 2.97Å; G881-K883 PolarHBondContact O-N 3.01Å |
| 882 | G | 76 | Confident | 73.5 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | trans | -58.4 | 132.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C878 L879 N880 N896 | C878-G882 VanDerWaalsContact CB-O 3.22Å; C878-G882 WeakPolarHBondContact CB-O 3.32Å; L879-G882 PolarHBondContact O-N 2.85Å; N880-G882 PolarHBondContact O-N 3.46Å; G882-N896 CarbonylContact C-O 3.59Å; G882-N896 WeakPolarHBondContact CA-O 3.35Å | ||
| 883 | K | 76.4 | Confident | 73.6 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115 | 176.1 | -68 | -173 | 173.3 | -174.3 | 0 | 109.1 | E779 G881 N896 | E779-K883 IonicContact OE1-NZ 3.14Å; E779-K883 PolarHBondContact OE1-NZ 2.72Å; G881-K883 PolarHBondContact O-N 3.01Å; K883-N896 PolarHBondContact N-O 2.86Å; K883-N896 PolarHBondContact O-N 3.38Å |
| 884 | C | 77.2 | Confident | 73.7 | Confident | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.095 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 146.1 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | P781 C873 C878 | P781-C884 WeakPolarHBondContact CB-O 3.03Å; P781-C884 VanDerWaalsContact CG-O 3.24Å; P781-C884 WeakPolarHBondContact CG-O 3Å; C873-C884 WeakPolarHBondContact CA-SG 3.38Å; C873-C884 HydrophobicContact CB-CB 3.8Å; C873-C884 WeakPolarHBondContact CB-SG 3.45Å; C873-C884 VanDerWaalsContact SG-C 3.6Å; C873-C884 WeakPolarHBondContact SG-CB 3.49Å; C873-C884 CovalentContact SG-SG 2.04Å; C873-C884 PolarHBondContact SG-SG 2.8Å; C878-C884 WeakPolarHBondContact SG-CA 3.49Å; C878-C884 WeakPolarHBondContact SG-CB 3.35Å |
| 885 | Y | 73.4 | Confident | 74.1 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158.6 | 166.3 | 65.7 | -92.3 | 0 | 0 | 0 | 110 | F893 G894 N896 | Y885-F893 CarbonylContact O-C 3.57Å; Y885-F893 VanDerWaalsContact O-CA 3.31Å; Y885-F893 WeakPolarHBondContact O-CA 3.49Å; Y885-G894 WeakPolarHBondContact CD1-O 3.21Å; Y885-G894 VanDerWaalsContact CE1-C 3.41Å; Y885-G894 PolarHBondContact N-O 3.41Å; Y885-G894 PolarHBondContact O-N 3.03Å; Y885-N896 WeakPolarHBondContact CD1-ND2 3.47Å; Y885-N896 WeakPolarHBondContact CE1-OD1 3.35Å |
| 886 | E | 75.3 | Confident | 74.4 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.2 | -174.2 | -62.9 | -174.1 | 122 | 0 | 0 | 112.4 | R717 G719 N871 F872 Y888 | R717-E886 IonicContact CZ-OE1 3.47Å; R717-E886 IonicContact CZ-OE2 2.88Å; R717-E886 IonicContact NE-OE1 3.96Å; R717-E886 IonicContact NE-OE2 2.65Å; R717-E886 PolarHBondContact NE-OE2 3.03Å; R717-E886 IonicContact NH2-OE1 3.89Å; R717-E886 PolarHBondContact NH2-OE1 3.09Å; R717-E886 IonicContact NH2-OE2 3.35Å; R717-E886 PolarHBondContact NH2-OE2 2.96Å; G719-E886 WeakPolarHBondContact CA-O 2.97Å; N871-E886 VanDerWaalsContact CA-OE1 3.3Å; N871-E886 WeakPolarHBondContact CA-OE1 3.44Å; N871-E886 PolarHBondContact OD1-OE1 2.98Å; F872-E886 HydrophobicContact CB-CG 4.3Å; F872-E886 HydrophobicContact CD2-CB 4.41Å; F872-E886 HydrophobicContact CD2-CG 4.49Å; F872-E886 PolarHBondContact N-OE1 2.82Å; E886-Y888 HydrophobicContact CB-CD2 3.98Å; E886-Y888 HydrophobicContact CB-CE2 3.65Å; E886-Y888 PolarHBondContact O-N 2.79Å; E886-Y888 PolarHBondContact OE2-OH 3.13Å |
| 887 | D | 74.8 | Confident | 75.1 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 86.6 | 172.1 | -166.6 | -29.5 | 0 | 0 | 0 | 109.9 | A889 M890 S891 S892 | D887-A889 PolarHBondContact O-N 3.26Å; D887-A889 WeakPolarHBondContact OD1-CA 3.26Å; D887-A889 WeakPolarHBondContact OD1-CB 3.45Å; D887-A889 PolarHBondContact OD1-N 2.93Å; D887-M890 HydrophobicContact CB-CB 4.27Å; D887-M890 PolarHBondContact O-N 2.83Å; D887-M890 PolarHBondContact OD1-N 2.86Å; D887-M890 WeakPolarHBondContact OD2-CG 3.26Å; D887-S891 WeakPolarHBondContact O-CA 3.39Å; D887-S891 PolarHBondContact O-N 2.71Å; D887-S892 CarbonylContact C-O 3.46Å; D887-S892 WeakPolarHBondContact CA-O 3.42Å; D887-S892 PolarHBondContact N-O 3.2Å; D887-S892 PolarHBondContact O-N 3.18Å |
| 888 | Y | 72.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.9 | 175.3 | -74 | -79.3 | 0 | 0 | 0 | 114 | Q694 R717 C840 C869 F872 E886 | Q694-Y888 HydrophobicContact CG-CD1 4.15Å; Q694-Y888 HydrophobicContact CG-CE1 4.25Å; R717-Y888 PolarHBondContact NE-OH 2.77Å; C840-Y888 WeakPolarHBondContact SG-CE1 3.17Å; C840-Y888 PolarHBondContact SG-OH 3.11Å; C869-Y888 PolarHBondContact SG-OH 2.88Å; F872-Y888 HydrophobicContact CE2-CD1 4.25Å; F872-Y888 HydrophobicContact CE2-CE1 4.27Å; E886-Y888 HydrophobicContact CB-CD2 3.98Å; E886-Y888 HydrophobicContact CB-CE2 3.65Å; E886-Y888 PolarHBondContact O-N 2.79Å; E886-Y888 PolarHBondContact OE2-OH 3.13Å |
| 889 | A | 66.3 | Low | 75.8 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F838 D887 S891 | F838-A889 HydrophobicContact CD1-CB 3.79Å; F838-A889 HydrophobicContact CE1-CB 3.72Å; F838-A889 HydrophobicContact CZ-CB 4.43Å; D887-A889 PolarHBondContact O-N 3.26Å; D887-A889 WeakPolarHBondContact OD1-CA 3.26Å; D887-A889 WeakPolarHBondContact OD1-CB 3.45Å; D887-A889 PolarHBondContact OD1-N 2.93Å; A889-S891 VanDerWaalsContact C-N 3.34Å |
| 890 | M | 69.9 | Low | 75.6 | Confident | 148 Ų | 148 | 52.3 Ų | 52.3 | 73% | 0.729 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -10.5 | 172.3 | -65.9 | -169.1 | 62.7 | 0 | 0 | 113.7 | D887 S892 | D887-M890 HydrophobicContact CB-CB 4.27Å; D887-M890 PolarHBondContact O-N 2.83Å; D887-M890 PolarHBondContact OD1-N 2.86Å; D887-M890 WeakPolarHBondContact OD2-CG 3.26Å; M890-S892 VanDerWaalsContact C-N 3.34Å |
| 891 | S | 70.8 | Confident | 75.9 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 48.5 | -168.4 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | F872 D887 A889 | F872-S891 WeakPolarHBondContact CE1-O 3.41Å; D887-S891 WeakPolarHBondContact O-CA 3.39Å; D887-S891 PolarHBondContact O-N 2.71Å; A889-S891 VanDerWaalsContact C-N 3.34Å |
| 892 | S | 76.5 | Confident | 76.4 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | -173.2 | -174.9 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | F872 D887 M890 | F872-S892 WeakPolarHBondContact CB-O 3.36Å; F872-S892 WeakPolarHBondContact CG-O 3.44Å; D887-S892 CarbonylContact C-O 3.46Å; D887-S892 WeakPolarHBondContact CA-O 3.42Å; D887-S892 PolarHBondContact N-O 3.2Å; D887-S892 PolarHBondContact O-N 3.18Å; M890-S892 VanDerWaalsContact C-N 3.34Å |
| 893 | F | 75.8 | Confident | 76.9 | Confident | 58 Ų | 58 | 51 Ų | 51 | 25% | 0.254 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 167 | 163 | 66.2 | -87.3 | 0 | 0 | 0 | 110.7 | F872 P877 Y885 N907 | F872-F893 HydrophobicContact CB-CB 3.95Å; P877-F893 HydrophobicContact CB-CD1 4.38Å; P877-F893 HydrophobicContact CB-CD2 4.07Å; P877-F893 HydrophobicContact CB-CE1 3.87Å; P877-F893 HydrophobicContact CB-CE2 3.52Å; P877-F893 HydrophobicContact CB-CG 4.48Å; P877-F893 HydrophobicContact CB-CZ 3.42Å; P877-F893 VanDerWaalsContact CB-CZ 3.42Å; P877-F893 HydrophobicContact CG-CD1 3.87Å; P877-F893 HydrophobicContact CG-CD2 3.43Å; P877-F893 VanDerWaalsContact CG-CD2 3.43Å; P877-F893 HydrophobicContact CG-CE1 3.88Å; P877-F893 HydrophobicContact CG-CE2 3.45Å; P877-F893 VanDerWaalsContact CG-CE2 3.45Å; P877-F893 HydrophobicContact CG-CG 3.67Å; P877-F893 HydrophobicContact CG-CZ 3.69Å; Y885-F893 CarbonylContact O-C 3.57Å; Y885-F893 VanDerWaalsContact O-CA 3.31Å; Y885-F893 WeakPolarHBondContact O-CA 3.49Å; F893-N907 VanDerWaalsContact CE2-OD1 3.27Å; F893-N907 WeakPolarHBondContact CE2-OD1 3.4Å; F893-N907 WeakPolarHBondContact CZ-OD1 3.44Å |
| 894 | G | 75.2 | Confident | 77.1 | Confident | 11 Ų | 11 | 48 Ų | 48 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 167.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y885 | Y885-G894 WeakPolarHBondContact CD1-O 3.21Å; Y885-G894 VanDerWaalsContact CE1-C 3.41Å; Y885-G894 PolarHBondContact N-O 3.41Å; Y885-G894 PolarHBondContact O-N 3.03Å |
| 895 | C | 78.4 | Confident | 77 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124 | -175 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | C878 C908 | C878-C895 WeakPolarHBondContact CA-SG 3.25Å; C878-C895 HydrophobicContact CB-CB 3.76Å; C878-C895 WeakPolarHBondContact CB-SG 3.39Å; C878-C895 WeakPolarHBondContact SG-CA 3.48Å; C878-C895 WeakPolarHBondContact SG-CB 3.25Å; C878-C895 CovalentContact SG-SG 2.03Å; C878-C895 PolarHBondContact SG-SG 2.03Å; C895-C908 VanDerWaalsContact CB-SG 3.56Å |
| 896 | N | 74.3 | Confident | 77.2 | Confident | 58 Ų | 58 | 52 Ų | 52 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 102.3 | 169.1 | -73.8 | -32.5 | 0 | 0 | 0 | 109.1 | G882 K883 Y885 | G882-N896 CarbonylContact C-O 3.59Å; G882-N896 WeakPolarHBondContact CA-O 3.35Å; K883-N896 PolarHBondContact N-O 2.86Å; K883-N896 PolarHBondContact O-N 3.38Å; Y885-N896 WeakPolarHBondContact CD1-ND2 3.47Å; Y885-N896 WeakPolarHBondContact CE1-OD1 3.35Å |
| 897 | C | 81.8 | Confident | 77.4 | Confident | 26 Ų | 26 | 54 Ų | 54 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | trans | -68.1 | 135.9 | -174.7 | -46.8 | 0 | 0 | 0 | 0 | 112.3 | N899 H903 C908 | C897-N899 VanDerWaalsContact C-N 3.29Å; C897-N899 PolarHBondContact O-N 3.31Å; C897-H903 HydrophobicContact CB-CB 3.82Å; C897-H903 PolarHBondContact SG-O 2.89Å; C897-C908 WeakPolarHBondContact CA-SG 3.21Å; C897-C908 HydrophobicContact CB-CB 3.75Å; C897-C908 WeakPolarHBondContact CB-SG 3.48Å; C897-C908 PolarHBondContact N-SG 2.65Å; C897-C908 VanDerWaalsContact N-SG 3.42Å; C897-C908 WeakPolarHBondContact SG-CB 3.36Å; C897-C908 CovalentContact SG-SG 2.03Å; C897-C908 PolarHBondContact SG-SG 2.86Å | ||
| 898 | Q | 81.8 | Confident | 77.8 | Confident | 146 Ų | 146 | 52 Ų | 52 | 68% | 0.682 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -59.9 | -37.4 | -176.1 | -176 | 177.3 | -5.6 | 0 | 0 | 113.1 | ||
| 899 | N | 82.7 | Confident | 78.1 | Confident | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -117.9 | 95.7 | 168.7 | 178 | -23.6 | 0 | 0 | 0 | 108.2 | C897 W901 A902 H903 Q1005 | C897-N899 VanDerWaalsContact C-N 3.29Å; C897-N899 PolarHBondContact O-N 3.31Å; N899-W901 PolarHBondContact O-N 2.8Å; N899-W901 PolarHBondContact OD1-N 2.96Å; N899-W901 VanDerWaalsContact OD1-N 3.16Å; N899-A902 HydrophobicContact CB-CB 4.44Å; N899-A902 PolarHBondContact O-N 3.45Å; N899-A902 PolarHBondContact OD1-N 2.83Å; N899-H903 WeakPolarHBondContact O-CB 3.41Å; N899-H903 PolarHBondContact O-N 3.44Å; N899-Q1005 PolarHBondContact ND2-OE1 2.88Å |
| 900 | P | 77.4 | Confident | 78.8 | Confident | 80 Ų | 80 | 56 Ų | 56 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.6 | -175 | -24.3 | 34.6 | 0 | 0 | 0 | 115.3 | ||
| 901 | W | 83.4 | Confident | 79.5 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -39.1 | 179.2 | -55.2 | -69.5 | 0 | 0 | 0 | 112 | N899 V943 Q1005 A1007 C1018 E1020 R1102 | N899-W901 PolarHBondContact O-N 2.8Å; N899-W901 PolarHBondContact OD1-N 2.96Å; N899-W901 VanDerWaalsContact OD1-N 3.16Å; W901-V943 HydrophobicContact CB-CG1 3.79Å; W901-V943 HydrophobicContact CB-CG2 4.14Å; W901-Q1005 HydrophobicContact CB-CG 4.41Å; W901-Q1005 HydrophobicContact CE3-CG 4.12Å; W901-A1007 HydrophobicContact CB-CB 4.33Å; W901-A1007 VanDerWaalsContact CD1-CB 3.42Å; W901-A1007 HydrophobicContact CD2-CB 4.27Å; W901-A1007 HydrophobicContact CG-CB 3.75Å; W901-C1018 HydrophobicContact CZ2-CB 4.3Å; W901-E1020 WeakPolarHBondContact CH2-O 3.31Å; W901-E1020 WeakPolarHBondContact CZ3-O 3.21Å; W901-R1102 PolarHBondContact O-NH2 2.82Å |
| 902 | A | 84 | Confident | 80.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -35.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | N899 I912 N913 | N899-A902 HydrophobicContact CB-CB 4.44Å; N899-A902 PolarHBondContact O-N 3.45Å; N899-A902 PolarHBondContact OD1-N 2.83Å; A902-I912 HydrophobicContact CB-CD1 4.3Å; A902-I912 HydrophobicContact CB-CG1 3.91Å; A902-I912 PolarHBondContact O-N 3.29Å; A902-N913 WeakPolarHBondContact CB-ND2 3.26Å |
| 903 | H | 87.5 | Confident | 80.7 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.4 | -179.6 | -56.4 | 176.4 | 0 | 0 | 0 | 108.1 | N880 C897 N899 C908 T910 D911 | N880-H903 HydrophobicContact CB-CB 4.34Å; N880-H903 WeakPolarHBondContact CB-ND1 3.18Å; N880-H903 PolarHBondContact O-CE1 3.4Å; N880-H903 PolarHBondContact O-ND1 2.9Å; C897-H903 HydrophobicContact CB-CB 3.82Å; C897-H903 PolarHBondContact SG-O 2.89Å; N899-H903 WeakPolarHBondContact O-CB 3.41Å; N899-H903 PolarHBondContact O-N 3.44Å; H903-C908 HydrophobicContact CB-CB 4.41Å; H903-T910 CarbonylContact C-O 3.55Å; H903-T910 WeakPolarHBondContact CA-O 3.23Å; H903-D911 IonicContact CD2-OD1 2.74Å; H903-D911 PolarHBondContact CD2-OD1 2.94Å; H903-D911 IonicContact NE2-OD1 3.68Å |
| 904 | I | 79.6 | Confident | 80.8 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 164.8 | -172.8 | 66.2 | 177.6 | 0 | 0 | 0 | 111.7 | C908 E909 T910 I912 | I904-C908 CarbonylContact O-C 3.59Å; I904-E909 PolarHBondContact O-N 2.85Å; I904-T910 HydrophobicContact CD1-CG2 4.42Å; I904-T910 HydrophobicContact CG1-CG2 4.04Å; I904-T910 PolarHBondContact N-O 2.97Å; I904-T910 PolarHBondContact O-N 2.91Å; I904-I912 HydrophobicContact CD1-CG2 3.96Å; I904-I912 HydrophobicContact CG1-CG2 4.4Å |
| 905 | G | 76.2 | Confident | 80.4 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 104.1 | 165.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N907 C908 E909 | G905-N907 PolarHBondContact O-N 2.86Å; G905-C908 PolarHBondContact O-N 2.88Å; G905-C908 VanDerWaalsContact O-N 3.15Å; G905-E909 VanDerWaalsContact CA-CD 3.5Å; G905-E909 VanDerWaalsContact CA-OE1 3.28Å; G905-E909 WeakPolarHBondContact CA-OE1 3.43Å; G905-E909 WeakPolarHBondContact CA-OE2 3.28Å |
| 906 | I | 76.4 | Confident | 80.4 | Confident | 139 Ų | 139 | 53 Ų | 53 | 71% | 0.713 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.1 | -174.1 | -169.1 | 167.1 | 0 | 0 | 0 | 112.3 | E909 | I906-E909 PolarHBondContact N-OE2 3.18Š|
| 907 | N | 80.6 | Confident | 80.6 | Confident | 48 Ų | 48 | 51.6 Ų | 51.6 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 13.5 | 177.9 | -65.7 | -7 | 0 | 0 | 0 | 111.8 | P877 C878 L879 F893 G905 E909 | P877-N907 WeakPolarHBondContact O-CB 3.5Å; C878-N907 CarbonylContact C-O 3.58Å; C878-N907 WeakPolarHBondContact CA-O 3.43Å; L879-N907 PolarHBondContact N-O 2.74Å; F893-N907 VanDerWaalsContact CE2-OD1 3.27Å; F893-N907 WeakPolarHBondContact CE2-OD1 3.4Å; F893-N907 WeakPolarHBondContact CZ-OD1 3.44Å; G905-N907 PolarHBondContact O-N 2.86Å; N907-E909 VanDerWaalsContact CA-OE2 3.29Å; N907-E909 WeakPolarHBondContact CA-OE2 3.36Å; N907-E909 WeakPolarHBondContact CB-OE2 3.38Å; N907-E909 PolarHBondContact N-OE2 3.18Å; N907-E909 PolarHBondContact O-N 3.41Å |
| 908 | C | 82.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 56.6 | 27 | -169.6 | -49.7 | 0 | 0 | 0 | 0 | 113.5 | L879 N880 C895 C897 H903 I904 G905 T910 | L879-C908 WeakPolarHBondContact O-CB 3.47Å; N880-C908 PolarHBondContact ND2-O 3.35Å; C895-C908 VanDerWaalsContact CB-SG 3.56Å; C897-C908 WeakPolarHBondContact CA-SG 3.21Å; C897-C908 HydrophobicContact CB-CB 3.75Å; C897-C908 WeakPolarHBondContact CB-SG 3.48Å; C897-C908 PolarHBondContact N-SG 2.65Å; C897-C908 VanDerWaalsContact N-SG 3.42Å; C897-C908 WeakPolarHBondContact SG-CB 3.36Å; C897-C908 CovalentContact SG-SG 2.03Å; C897-C908 PolarHBondContact SG-SG 2.86Å; H903-C908 HydrophobicContact CB-CB 4.41Å; I904-C908 CarbonylContact O-C 3.59Å; G905-C908 PolarHBondContact O-N 2.88Å; G905-C908 VanDerWaalsContact O-N 3.15Å; C908-T910 VanDerWaalsContact C-N 3.33Å; C908-T910 PolarHBondContact O-N 2.94Å |
| 909 | E | 80 | Confident | 80.3 | Confident | 83 Ų | 83 | 46.3 Ų | 46.3 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | trans | -66.8 | -26.9 | -168.2 | 63.9 | -84.4 | -167.9 | 0 | 0 | 115.1 | L879 N880 I904 G905 I906 N907 | L879-E909 HydrophobicContact CD1-CB 3.9Å; N880-E909 PolarHBondContact ND2-O 2.79Å; N880-E909 VanDerWaalsContact ND2-O 3.13Å; I904-E909 PolarHBondContact O-N 2.85Å; G905-E909 VanDerWaalsContact CA-CD 3.5Å; G905-E909 VanDerWaalsContact CA-OE1 3.28Å; G905-E909 WeakPolarHBondContact CA-OE1 3.43Å; G905-E909 WeakPolarHBondContact CA-OE2 3.28Å; I906-E909 PolarHBondContact N-OE2 3.18Å; N907-E909 VanDerWaalsContact CA-OE2 3.29Å; N907-E909 WeakPolarHBondContact CA-OE2 3.36Å; N907-E909 WeakPolarHBondContact CB-OE2 3.38Å; N907-E909 PolarHBondContact N-OE2 3.18Å; N907-E909 PolarHBondContact O-N 3.41Å | ||
| 910 | T | 80.6 | Confident | 80.1 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 41% | 0.405 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 113.6 | -176.8 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | H903 I904 C908 I912 | H903-T910 CarbonylContact C-O 3.55Å; H903-T910 WeakPolarHBondContact CA-O 3.23Å; I904-T910 HydrophobicContact CD1-CG2 4.42Å; I904-T910 HydrophobicContact CG1-CG2 4.04Å; I904-T910 PolarHBondContact N-O 2.97Å; I904-T910 PolarHBondContact O-N 2.91Å; C908-T910 VanDerWaalsContact C-N 3.33Å; C908-T910 PolarHBondContact O-N 2.94Å; T910-I912 HydrophobicContact CG2-CG2 4.42Å |
| 911 | D | 85.1 | Confident | 80.1 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.6 | 163.4 | 173.1 | 25 | 0 | 0 | 0 | 109.6 | H903 N913 K914 | H903-D911 IonicContact CD2-OD1 2.74Å; H903-D911 PolarHBondContact CD2-OD1 2.94Å; H903-D911 IonicContact NE2-OD1 3.68Å; D911-N913 PolarHBondContact O-N 2.81Å; D911-N913 VanDerWaalsContact OD1-CB 3.29Å; D911-N913 WeakPolarHBondContact OD1-CB 2.97Å; D911-N913 PolarHBondContact OD1-N 2.84Å; D911-K914 HydrophobicContact CB-CB 4.27Å; D911-K914 WeakPolarHBondContact O-CB 3.26Å; D911-K914 PolarHBondContact O-N 2.89Å; D911-K914 PolarHBondContact OD2-N 2.94Å |
| 912 | I | 85.4 | Confident | 79.8 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.8 | 178 | 70.8 | -172.3 | 0 | 0 | 0 | 112.5 | A902 I904 T910 K914 T916 V943 G1100 R1102 T1107 | A902-I912 HydrophobicContact CB-CD1 4.3Å; A902-I912 HydrophobicContact CB-CG1 3.91Å; A902-I912 PolarHBondContact O-N 3.29Å; I904-I912 HydrophobicContact CD1-CG2 3.96Å; I904-I912 HydrophobicContact CG1-CG2 4.4Å; T910-I912 HydrophobicContact CG2-CG2 4.42Å; I912-K914 PolarHBondContact O-N 3.26Å; I912-T916 VanDerWaalsContact O-CG2 3.29Å; I912-T916 WeakPolarHBondContact O-CG2 3.06Å; I912-T916 PolarHBondContact O-OG1 3.47Å; I912-V943 HydrophobicContact CD1-CB 4.27Å; I912-V943 HydrophobicContact CD1-CG1 3.87Å; I912-G1100 VanDerWaalsContact CD1-O 3.23Å; I912-G1100 WeakPolarHBondContact CD1-O 3.41Å; I912-G1100 WeakPolarHBondContact O-CA 3.38Å; I912-R1102 HydrophobicContact CD1-CB 3.88Å; I912-T1107 HydrophobicContact CB-CG2 4Å; I912-T1107 HydrophobicContact CG2-CG2 3.86Å |
| 913 | N | 86.4 | Confident | 79.1 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -13.5 | 178.6 | -71.6 | -46 | 0 | 0 | 0 | 113.2 | A902 D911 S945 Q1005 R1099 | A902-N913 WeakPolarHBondContact CB-ND2 3.26Å; D911-N913 PolarHBondContact O-N 2.81Å; D911-N913 VanDerWaalsContact OD1-CB 3.29Å; D911-N913 WeakPolarHBondContact OD1-CB 2.97Å; D911-N913 PolarHBondContact OD1-N 2.84Å; N913-S945 WeakPolarHBondContact OD1-CB 3.48Å; N913-S945 PolarHBondContact OD1-OG 2.83Å; N913-Q1005 PolarHBondContact ND2-OE1 3.44Å; N913-R1099 HydrophobicContact CB-CG 4.24Å; N913-R1099 WeakPolarHBondContact O-CD 3.17Å; N913-R1099 PolarHBondContact O-NH1 2.78Å |
| 914 | K | 78.4 | Confident | 78.1 | Confident | 124 Ų | 124 | 54.5 Ų | 54.5 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 130.3 | -177.8 | -166.7 | 178.4 | 176.7 | 178.5 | 0 | 111.1 | D911 I912 T916 | D911-K914 HydrophobicContact CB-CB 4.27Å; D911-K914 WeakPolarHBondContact O-CB 3.26Å; D911-K914 PolarHBondContact O-N 2.89Å; D911-K914 PolarHBondContact OD2-N 2.94Å; I912-K914 PolarHBondContact O-N 3.26Å; K914-T916 PolarHBondContact O-N 2.82Å |
| 915 | D | 67.2 | Low | 77.6 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 21.5 | 175.1 | -53.7 | -42.6 | 0 | 0 | 0 | 116 | R1111 | D915-R1111 WeakPolarHBondContact O-CD 3.48Å; D915-R1111 PolarHBondContact O-NE 3.46Å; D915-R1111 PolarHBondContact O-NH1 2.93Å |
| 916 | T | 77.2 | Confident | 77.4 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | trans | -111.2 | 4.5 | -180 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | I912 K914 G1100 | I912-T916 VanDerWaalsContact O-CG2 3.29Å; I912-T916 WeakPolarHBondContact O-CG2 3.06Å; I912-T916 PolarHBondContact O-OG1 3.47Å; K914-T916 PolarHBondContact O-N 2.82Å; T916-G1100 PolarHBondContact OG1-N 3.21Å | ||
| 917 | D | 78.2 | Confident | 77.7 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | trans | -72.2 | 142.3 | -175.8 | 66.2 | -59.6 | 0 | 0 | 0 | 113.8 | W1003 M1098 R1099 R1111 N1121 | D917-W1003 HydrophobicContact CB-CH2 4.07Å; D917-W1003 HydrophobicContact CB-CZ2 4.28Å; D917-M1098 CarbonylContact C-O 3.53Å; D917-M1098 VanDerWaalsContact CA-O 3.24Å; D917-M1098 WeakPolarHBondContact CA-O 3.26Å; D917-R1099 HydrophobicContact CB-CB 3.82Å; D917-R1111 WeakPolarHBondContact O-CG 3.47Å; D917-R1111 PolarHBondContact O-NE 2.72Å; D917-R1111 IonicContact OD1-CZ 2.81Å; D917-R1111 IonicContact OD1-NE 3.14Å; D917-R1111 IonicContact OD1-NH2 3.08Å; D917-R1111 PolarHBondContact OD1-NH2 2.81Å; D917-N1121 PolarHBondContact OD2-ND2 3.09Å | ||
| 918 | V | 77.6 | Confident | 77.7 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.8 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 109.3 | F920 L928 C1097 M1098 L1110 | V918-F920 HydrophobicContact CG1-CD2 4.45Å; V918-F920 HydrophobicContact CG1-CE2 3.7Å; V918-F920 HydrophobicContact CG1-CZ 4.03Å; V918-L928 HydrophobicContact CG1-CD1 4.18Å; V918-C1097 CarbonylContact O-C 3.56Å; V918-C1097 VanDerWaalsContact O-CA 3.23Å; V918-C1097 WeakPolarHBondContact O-CA 3.47Å; V918-M1098 PolarHBondContact N-O 2.71Å; V918-M1098 PolarHBondContact O-N 3.31Å; V918-L1110 HydrophobicContact CB-CB 4.29Å; V918-L1110 HydrophobicContact CG1-CB 3.99Å; V918-L1110 HydrophobicContact CG1-CD1 3.99Å |
| 919 | A | 80.5 | Confident | 77.7 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 33% | 0.331 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1096 | A919-G1096 CarbonylContact C-O 3.54Å; A919-G1096 WeakPolarHBondContact CA-O 3.46Å |
| 920 | F | 77.7 | Confident | 77.8 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.3 | 169.1 | -65.9 | -84.1 | 0 | 0 | 0 | 108.5 | V918 L928 I1069 F1094 V1095 G1096 M1098 | V918-F920 HydrophobicContact CG1-CD2 4.45Å; V918-F920 HydrophobicContact CG1-CE2 3.7Å; V918-F920 HydrophobicContact CG1-CZ 4.03Å; F920-L928 HydrophobicContact CE1-CG 3.94Å; F920-L928 HydrophobicContact CZ-CD1 4.06Å; F920-L928 HydrophobicContact CZ-CG 3.95Å; F920-I1069 VanDerWaalsContact CE1-O 3.26Å; F920-I1069 WeakPolarHBondContact CE1-O 3.01Å; F920-I1069 HydrophobicContact CE2-CG2 4.15Å; F920-I1069 HydrophobicContact CZ-CB 4.25Å; F920-I1069 HydrophobicContact CZ-CG2 3.74Å; F920-F1094 HydrophobicContact CB-CD1 4.11Å; F920-F1094 VanDerWaalsContact CB-O 3.24Å; F920-F1094 WeakPolarHBondContact CB-O 3.24Å; F920-F1094 AromaticContact CD2-CD1 3.89Å; F920-F1094 HydrophobicContact CD2-CD1 3.89Å; F920-F1094 HydrophobicContact CD2-CE1 4.03Å; F920-F1094 HydrophobicContact CG-CD1 4.22Å; F920-V1095 WeakPolarHBondContact O-CA 3.43Å; F920-G1096 PolarHBondContact N-O 3.25Å; F920-G1096 PolarHBondContact O-N 2.88Å; F920-M1098 HydrophobicContact CD2-CG 4.14Å; F920-M1098 HydrophobicContact CE2-CB 3.99Å; F920-M1098 HydrophobicContact CE2-CG 3.78Å; F920-M1098 HydrophobicContact CE2-SD 3.9Å |
| 921 | L | 78.5 | Confident | 77.6 | Confident | 102 Ų | 102 | 54 Ų | 54 | 53% | 0.534 | 29% | 0.288 | S | S | . | . | trans | -99 | 163.3 | 178.7 | -58.6 | 176 | 0 | 0 | 0 | 110 | A923 A926 | L921-A923 PolarHBondContact O-N 2.65Å; L921-A926 WeakPolarHBondContact O-CB 3.47Å | ||
| 922 | D | 76.7 | Confident | 77 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 75% | 0.749 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -76.1 | 74.2 | 172.7 | -166 | 11.3 | 0 | 0 | 0 | 111.2 | V1095 | D922-V1095 HydrophobicContact CB-CG2 3.84Š|
| 923 | A | 69.3 | Low | 76.8 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -128.6 | 152 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L921 D925 A926 K1093 | L921-A923 PolarHBondContact O-N 2.65Å; A923-D925 PolarHBondContact O-N 3.43Å; A923-D925 VanDerWaalsContact O-N 3.1Å; A923-A926 HydrophobicContact CB-CB 3.93Å; A923-A926 PolarHBondContact O-N 3Å; A923-K1093 PolarHBondContact O-NZ 3.18Å |
| 924 | P | 67.3 | Low | 76.6 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.7 | 179.9 | -26.7 | 36.7 | 0 | 0 | 0 | 114.8 | K1093 | P924-K1093 VanDerWaalsContact CA-NZ 3.32Å; P924-K1093 PolarHBondContact O-NZ 2.86Å |
| 925 | D | 68.4 | Low | 77.1 | Confident | 119 Ų | 119 | 64 Ų | 64 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 4.4 | -174.9 | 52.3 | -15.7 | 0 | 0 | 0 | 114.3 | A923 Y927 | A923-D925 PolarHBondContact O-N 3.43Å; A923-D925 VanDerWaalsContact O-N 3.1Å; D925-Y927 VanDerWaalsContact C-N 3.28Å; D925-Y927 PolarHBondContact O-N 3.06Å |
| 926 | A | 72.7 | Confident | 78.1 | Confident | 19 Ų | 19 | 63 Ų | 63 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | trans | -72.4 | 77.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L921 A923 | L921-A926 WeakPolarHBondContact O-CB 3.47Å; A923-A926 HydrophobicContact CB-CB 3.93Å; A923-A926 PolarHBondContact O-N 3Å | ||
| 927 | Y | 81.1 | Confident | 78.8 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | trans | -152.8 | 150.9 | 167.3 | 61 | -91 | 0 | 0 | 0 | 109.1 | D925 T929 Y1068 I1069 G1071 P1073 Q1084 | D925-Y927 VanDerWaalsContact C-N 3.28Å; D925-Y927 PolarHBondContact O-N 3.06Å; Y927-T929 WeakPolarHBondContact CE2-OG1 3.39Å; Y927-Y1068 HydrophobicContact CD2-CD1 4.06Å; Y927-Y1068 HydrophobicContact CD2-CE1 4.38Å; Y927-Y1068 HydrophobicContact CE2-CD1 4.41Å; Y927-Y1068 HydrophobicContact CE2-CE1 4.27Å; Y927-I1069 WeakPolarHBondContact CA-O 3.37Å; Y927-G1071 WeakPolarHBondContact CB-O 3.2Å; Y927-P1073 HydrophobicContact CE1-CB 3.97Å; Y927-P1073 HydrophobicContact CE2-CG 4.36Å; Y927-Q1084 PolarHBondContact OH-NE2 2.91Å | ||
| 928 | L | 81.9 | Confident | 79.5 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 152.7 | 170.2 | -59.1 | -179.7 | 0 | 0 | 0 | 110 | V918 F920 Y1068 I1069 L1110 | V918-L928 HydrophobicContact CG1-CD1 4.18Å; F920-L928 HydrophobicContact CE1-CG 3.94Å; F920-L928 HydrophobicContact CZ-CD1 4.06Å; F920-L928 HydrophobicContact CZ-CG 3.95Å; L928-Y1068 WeakPolarHBondContact O-CA 3.44Å; L928-I1069 HydrophobicContact CB-CB 4.32Å; L928-I1069 PolarHBondContact N-O 3.06Å; L928-I1069 PolarHBondContact O-N 3.49Å; L928-I1069 VanDerWaalsContact O-N 3.15Å; L928-L1110 HydrophobicContact CD1-CB 4.3Å; L928-L1110 HydrophobicContact CD1-CD2 4.04Å |
| 929 | T | 81.3 | Confident | 80.1 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 125.9 | 173.6 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | Y927 R931 L1067 Y1068 | Y927-T929 WeakPolarHBondContact CE2-OG1 3.39Å; T929-R931 HydrophobicContact CG2-CG 4.3Å; T929-L1067 CarbonylContact C-O 3.46Å; T929-L1067 WeakPolarHBondContact CA-O 3.48Å; T929-Y1068 HydrophobicContact CG2-CD1 4.13Å; T929-Y1068 HydrophobicContact CG2-CE1 3.72Å; T929-Y1068 WeakPolarHBondContact OG1-CD1 3.45Å; T929-Y1068 WeakPolarHBondContact OG1-CE1 3.48Å |
| 930 | I | 83.6 | Confident | 80.7 | Confident | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.128 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132 | 178.6 | -57.2 | 148.8 | 0 | 0 | 0 | 107.2 | L933 L1067 I1069 L1101 V1108 | I930-L933 HydrophobicContact CG2-CD2 3.7Å; I930-L933 HydrophobicContact CG2-CG 3.92Å; I930-L1067 HydrophobicContact CB-CB 4.29Å; I930-L1067 HydrophobicContact CD1-CD2 3.79Å; I930-L1067 HydrophobicContact CD1-CG 4.13Å; I930-L1067 PolarHBondContact N-O 2.9Å; I930-L1067 PolarHBondContact O-N 2.85Å; I930-I1069 HydrophobicContact CD1-CD1 3.72Å; I930-L1101 HydrophobicContact CD1-CD2 3.82Å; I930-V1108 HydrophobicContact CD1-CG1 3.85Å; I930-V1108 HydrophobicContact CG1-CG1 4.47Å |
| 931 | R | 74.6 | Confident | 81.4 | Confident | 155 Ų | 155 | 63.6 Ų | 63.6 | 59% | 0.585 | 34% | 0.342 | S | S | * | . | trans | -115.7 | -21.8 | -171.9 | -54.5 | -160.6 | 168.6 | -157.2 | -6.5 | 114.6 | T929 L1066 | T929-R931 HydrophobicContact CG2-CG 4.3Å; R931-L1066 HydrophobicContact CB-CD2 4.12Å; R931-L1066 HydrophobicContact CG-CD2 3.58Å | ||
| 932 | D | 73.2 | Confident | 82.2 | Confident | 145 Ų | 145 | 58.8 Ų | 58.8 | 78% | 0.775 | 32% | 0.317 | S | S | * | . | trans | -130.7 | 71.5 | -169 | -56.1 | -73.8 | 0 | 0 | 0 | 110 | ||||
| 933 | L | 81.4 | Confident | 83.1 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | trans | -82.3 | 140.6 | 171.4 | -65.5 | 166.5 | 0 | 0 | 0 | 110 | I930 D935 A937 L1067 V1103 V1108 | I930-L933 HydrophobicContact CG2-CD2 3.7Å; I930-L933 HydrophobicContact CG2-CG 3.92Å; L933-D935 VanDerWaalsContact CB-O 3.26Å; L933-D935 WeakPolarHBondContact CB-O 3.42Å; L933-A937 HydrophobicContact CD1-CB 3.96Å; L933-L1067 HydrophobicContact CD1-CB 4.12Å; L933-L1067 HydrophobicContact CD1-CD2 3.85Å; L933-L1067 HydrophobicContact CD2-CD2 4.49Å; L933-V1103 HydrophobicContact CD1-CG1 4.38Å; L933-V1103 HydrophobicContact CD1-CG2 4.31Å; L933-V1103 HydrophobicContact CD2-CB 4.46Å; L933-V1103 HydrophobicContact CD2-CG2 4.31Å; L933-V1108 HydrophobicContact CD2-CG2 3.9Å | ||
| 934 | Q | 81.8 | Confident | 84.3 | Confident | 158 Ų | 158 | 51.1 Ų | 51.1 | 74% | 0.738 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -67.8 | -41.1 | 171.8 | -67.5 | -173.2 | -18.4 | 0 | 0 | 111.1 | Q1106 | Q934-Q1106 HydrophobicContact CB-CB 4.44Š|
| 935 | D | 88.4 | Confident | 85.5 | Confident | 42 Ų | 42 | 47 Ų | 47 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -104.1 | 134.1 | 177.6 | -81 | -57.8 | 0 | 0 | 0 | 110.5 | L933 A937 V1103 S1105 | L933-D935 VanDerWaalsContact CB-O 3.26Å; L933-D935 WeakPolarHBondContact CB-O 3.42Å; D935-A937 PolarHBondContact O-N 3Å; D935-V1103 HydrophobicContact CB-CG1 4.22Å; D935-V1103 WeakPolarHBondContact CB-O 3.46Å; D935-V1103 WeakPolarHBondContact O-CG1 3.48Å; D935-S1105 WeakPolarHBondContact OD2-CB 3.32Å; D935-S1105 PolarHBondContact OD2-N 3.08Å; D935-S1105 PolarHBondContact OD2-OG 3.13Å |
| 936 | N | 89.8 | Confident | 86.8 | Confident | 58 Ų | 58 | 41.4 Ų | 41.4 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | trans | -74.4 | 114.4 | -178 | -176.1 | -7.8 | 0 | 0 | 0 | 111.3 | L938 S939 S940 T1065 | N936-L938 PolarHBondContact O-N 3.02Å; N936-L938 WeakPolarHBondContact OD1-CB 3.5Å; N936-L938 PolarHBondContact OD1-N 2.72Å; N936-S939 PolarHBondContact O-N 2.91Å; N936-S939 PolarHBondContact O-OG 3.12Å; N936-S940 VanDerWaalsContact O-CB 3.32Å; N936-S940 WeakPolarHBondContact O-CB 2.87Å; N936-S940 PolarHBondContact O-N 3.32Å; N936-S940 PolarHBondContact O-OG 2.94Å; N936-T1065 PolarHBondContact OD1-OG1 3.35Å | ||
| 937 | A | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -16.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L933 D935 I942 A958 T1065 V1103 | L933-A937 HydrophobicContact CD1-CB 3.96Å; D935-A937 PolarHBondContact O-N 3Å; A937-I942 HydrophobicContact CB-CD1 4.13Å; A937-A958 HydrophobicContact CB-CB 4.15Å; A937-T1065 HydrophobicContact CB-CG2 4.47Å; A937-V1103 HydrophobicContact CB-CG1 3.96Å |
| 938 | L | 93 | Very high | 88 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.9 | 176.3 | -61 | 172.7 | 0 | 0 | 0 | 114.1 | N936 D960 N964 I966 Y1010 R1030 L1032 T1065 | N936-L938 PolarHBondContact O-N 3.02Å; N936-L938 WeakPolarHBondContact OD1-CB 3.5Å; N936-L938 PolarHBondContact OD1-N 2.72Å; L938-D960 HydrophobicContact CD1-CB 3.78Å; L938-N964 HydrophobicContact CD1-CB 3.74Å; L938-I966 HydrophobicContact CD2-CB 4.35Å; L938-I966 HydrophobicContact CD2-CG2 3.94Å; L938-Y1010 PolarHBondContact O-OH 2.91Å; L938-R1030 PolarHBondContact O-NH1 3.12Å; L938-L1032 HydrophobicContact CB-CD1 4.26Å; L938-L1032 HydrophobicContact CB-CD2 4.49Å; L938-T1065 HydrophobicContact CG-CG2 4.38Å |
| 939 | S | 90.3 | Very high | 88.3 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 47% | 0.469 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.1 | -6.8 | -174.4 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | N936 | N936-S939 PolarHBondContact O-N 2.91Å; N936-S939 PolarHBondContact O-OG 3.12Å |
| 940 | S | 92.8 | Very high | 88.7 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -113.2 | 143.9 | -178.6 | -56 | 0 | 0 | 0 | 0 | 110 | N936 I942 Y1010 | N936-S940 VanDerWaalsContact O-CB 3.32Å; N936-S940 WeakPolarHBondContact O-CB 2.87Å; N936-S940 PolarHBondContact O-N 3.32Å; N936-S940 PolarHBondContact O-OG 2.94Å; S940-I942 PolarHBondContact O-N 3Å; S940-Y1010 VanDerWaalsContact O-CE2 3.28Å; S940-Y1010 WeakPolarHBondContact O-CE2 3.23Å |
| 941 | S | 92.2 | Very high | 89.1 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | trans | -58.5 | 134.7 | -175.1 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | V1008 V1103 G1104 | S941-V1008 CarbonylContact C-O 3.57Å; S941-V1008 WeakPolarHBondContact CA-O 3.15Å; S941-V1008 VanDerWaalsContact CB-O 3.29Å; S941-V1008 WeakPolarHBondContact CB-O 3.32Å; S941-V1103 CarbonylContact O-C 3.56Å; S941-V1103 WeakPolarHBondContact O-CA 3.4Å; S941-G1104 PolarHBondContact O-N 2.83Å | ||
| 942 | I | 95.1 | Very high | 90 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.4 | 179.1 | -50.1 | 179.4 | 0 | 0 | 0 | 108.2 | A937 S940 F944 L956 I966 A1007 V1008 L1101 R1102 V1103 | A937-I942 HydrophobicContact CB-CD1 4.13Å; S940-I942 PolarHBondContact O-N 3Å; I942-F944 HydrophobicContact CG2-CD1 4.23Å; I942-L956 HydrophobicContact CD1-CD1 4.42Å; I942-L956 HydrophobicContact CD1-CD2 4.11Å; I942-L956 HydrophobicContact CG2-CD1 3.84Å; I942-I966 HydrophobicContact CD1-CD1 4.02Å; I942-I966 HydrophobicContact CD1-CG2 4.31Å; I942-A1007 CarbonylContact O-C 3.48Å; I942-A1007 WeakPolarHBondContact O-CA 3.32Å; I942-V1008 HydrophobicContact CB-CB 4.31Å; I942-V1008 PolarHBondContact N-O 3.09Å; I942-V1008 PolarHBondContact O-N 2.97Å; I942-L1101 HydrophobicContact CG2-CD1 4.12Å; I942-R1102 CarbonylContact C-O 3.5Å; I942-R1102 WeakPolarHBondContact CA-O 3.45Å; I942-V1103 HydrophobicContact CG2-CG2 4.44Å |
| 943 | V | 95.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.3 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | W901 I912 Q1005 V1006 A1007 G1100 L1101 R1102 | W901-V943 HydrophobicContact CB-CG1 3.79Å; W901-V943 HydrophobicContact CB-CG2 4.14Å; I912-V943 HydrophobicContact CD1-CB 4.27Å; I912-V943 HydrophobicContact CD1-CG1 3.87Å; V943-Q1005 VanDerWaalsContact CG1-NE2 3.29Å; V943-V1006 WeakPolarHBondContact CA-O 3.3Å; V943-A1007 HydrophobicContact CG2-CB 4.15Å; V943-G1100 VanDerWaalsContact O-O 3.08Å; V943-L1101 CarbonylContact O-C 3.44Å; V943-L1101 VanDerWaalsContact O-CA 3.26Å; V943-L1101 WeakPolarHBondContact O-CA 3.49Å; V943-R1102 HydrophobicContact CB-CB 4.45Å; V943-R1102 PolarHBondContact N-O 3.21Å; V943-R1102 PolarHBondContact O-N 3.34Å |
| 944 | F | 95.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167 | 168.8 | 64.8 | -82.8 | 0 | 0 | 0 | 110.1 | I942 F946 L955 L956 V968 Q1005 V1006 M1098 G1100 L1101 | I942-F944 HydrophobicContact CG2-CD1 4.23Å; F944-F946 HydrophobicContact CE2-CB 4.49Å; F944-F946 HydrophobicContact CE2-CD1 4.08Å; F944-L955 HydrophobicContact CE2-CB 4.07Å; F944-L955 HydrophobicContact CE2-CD1 4.26Å; F944-L955 HydrophobicContact CZ-CB 4.05Å; F944-L955 HydrophobicContact CZ-CD1 4.28Å; F944-L956 HydrophobicContact CD1-CD1 4.43Å; F944-L956 HydrophobicContact CE1-CD1 4.33Å; F944-V968 HydrophobicContact CZ-CB 4.45Å; F944-V968 HydrophobicContact CZ-CG1 4.14Å; F944-Q1005 PolarHBondContact O-NE2 2.83Å; F944-V1006 HydrophobicContact CD1-CB 4.2Å; F944-V1006 HydrophobicContact CD2-CB 4.4Å; F944-V1006 HydrophobicContact CD2-CG2 4.42Å; F944-V1006 HydrophobicContact CE1-CB 3.86Å; F944-V1006 HydrophobicContact CE1-CG1 3.78Å; F944-V1006 HydrophobicContact CE1-CG2 4.48Å; F944-V1006 HydrophobicContact CE2-CB 4.07Å; F944-V1006 HydrophobicContact CE2-CG2 3.87Å; F944-V1006 HydrophobicContact CG-CB 4.46Å; F944-V1006 HydrophobicContact CZ-CB 3.79Å; F944-V1006 HydrophobicContact CZ-CG1 3.82Å; F944-V1006 HydrophobicContact CZ-CG2 3.91Å; F944-V1006 PolarHBondContact N-O 3.27Å; F944-V1006 PolarHBondContact O-N 2.63Å; F944-M1098 HydrophobicContact CD2-SD 4.49Å; F944-G1100 WeakPolarHBondContact CA-O 3.25Å; F944-L1101 HydrophobicContact CB-CD1 4.06Å |
| 945 | S | 93.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.5 | 169.7 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | N913 N1004 Q1005 M1098 R1099 | N913-S945 WeakPolarHBondContact OD1-CB 3.48Å; N913-S945 PolarHBondContact OD1-OG 2.83Å; S945-N1004 VanDerWaalsContact CA-O 3.27Å; S945-N1004 WeakPolarHBondContact CA-O 3.28Å; S945-Q1005 VanDerWaalsContact OG-CD 3.24Å; S945-Q1005 PolarHBondContact OG-NE2 3.03Å; S945-Q1005 VanDerWaalsContact OG-NE2 3.13Å; S945-Q1005 PolarHBondContact OG-OE1 2.87Å; S945-Q1005 VanDerWaalsContact OG-OE1 3.13Å; S945-M1098 CarbonylContact O-C 3.47Å; S945-M1098 VanDerWaalsContact O-CA 3.22Å; S945-M1098 WeakPolarHBondContact O-CA 3.41Å; S945-R1099 PolarHBondContact N-O 3.41Å; S945-R1099 PolarHBondContact O-N 2.75Å |
| 946 | F | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 158.9 | 174.9 | 78 | -86.7 | 0 | 0 | 0 | 112.7 | F944 T948 L955 L970 V976 F998 W1003 N1004 V1006 L1019 F1094 C1097 M1098 | F944-F946 HydrophobicContact CE2-CB 4.49Å; F944-F946 HydrophobicContact CE2-CD1 4.08Å; F946-T948 HydrophobicContact CD2-CG2 4.22Å; F946-T948 HydrophobicContact CE2-CG2 4.1Å; F946-L955 HydrophobicContact CB-CD2 4.18Å; F946-L955 HydrophobicContact CD1-CD1 3.9Å; F946-L955 HydrophobicContact CD1-CD2 4.16Å; F946-L955 HydrophobicContact CD2-CD2 3.89Å; F946-L955 HydrophobicContact CE1-CD1 3.76Å; F946-L955 HydrophobicContact CE2-CD2 4.31Å; F946-L955 HydrophobicContact CG-CD1 4.37Å; F946-L955 HydrophobicContact CG-CD2 3.8Å; F946-L955 HydrophobicContact CZ-CD1 4.13Å; F946-L970 HydrophobicContact CE2-CD2 4.33Å; F946-V976 HydrophobicContact CE1-CG2 4.33Å; F946-V976 HydrophobicContact CZ-CG2 4.04Å; F946-F998 HydrophobicContact CE2-CB 4.3Å; F946-F998 HydrophobicContact CZ-CB 4.25Å; F946-F998 HydrophobicContact CZ-CD1 4.42Å; F946-F998 HydrophobicContact CZ-CG 4.34Å; F946-W1003 WeakPolarHBondContact O-CA 3.21Å; F946-N1004 HydrophobicContact CD1-CB 4.4Å; F946-N1004 HydrophobicContact CE1-CB 4.01Å; F946-N1004 HydrophobicContact CZ-CB 4.19Å; F946-N1004 PolarHBondContact N-O 3.4Å; F946-N1004 PolarHBondContact O-N 2.82Å; F946-V1006 HydrophobicContact CD1-CG2 3.62Å; F946-V1006 HydrophobicContact CE1-CG2 3.57Å; F946-L1019 HydrophobicContact CE1-CD2 4.47Å; F946-F1094 HydrophobicContact CB-CE2 4.29Å; F946-F1094 HydrophobicContact CB-CZ 3.93Å; F946-F1094 AromaticContact CD2-CE2 3.73Å; F946-F1094 HydrophobicContact CD2-CE2 3.73Å; F946-F1094 HydrophobicContact CD2-CZ 4.09Å; F946-F1094 HydrophobicContact CG-CE2 4.35Å; F946-F1094 HydrophobicContact CG-CZ 4.45Å; F946-C1097 CarbonylContact C-O 3.52Å; F946-C1097 VanDerWaalsContact CA-O 3.3Å; F946-C1097 WeakPolarHBondContact CA-O 3.27Å; F946-M1098 HydrophobicContact CB-CE 4.4Å; F946-M1098 HydrophobicContact CB-CG 4.04Å |
| 947 | R | 91.4 | Very high | 92.7 | Very high | 74 Ų | 74 | 21.4 Ų | 21.4 | 28% | 0.279 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.2 | 167.7 | 65.1 | 175.4 | -177.1 | 179.4 | -0.9 | 110.6 | L1001 Q1002 W1003 F1094 G1096 C1097 | R947-L1001 WeakPolarHBondContact CD-O 3.32Å; R947-Q1002 WeakPolarHBondContact CA-O 3.33Å; R947-Q1002 WeakPolarHBondContact CB-O 3.45Å; R947-W1003 HydrophobicContact CB-CD2 4.27Å; R947-W1003 HydrophobicContact CB-CE3 4.06Å; R947-W1003 HydrophobicContact CB-CZ3 4.44Å; R947-W1003 HydrophobicContact CG-CD2 4.14Å; R947-W1003 HydrophobicContact CG-CE3 3.97Å; R947-W1003 HydrophobicContact CG-CH2 4.08Å; R947-W1003 HydrophobicContact CG-CZ2 4.22Å; R947-W1003 HydrophobicContact CG-CZ3 3.94Å; R947-F1094 WeakPolarHBondContact O-CZ 3.26Å; R947-G1096 WeakPolarHBondContact O-CA 3.12Å; R947-C1097 HydrophobicContact CG-CB 3.82Å; R947-C1097 PolarHBondContact N-O 3.25Å; R947-C1097 PolarHBondContact NE-SG 2.88Å; R947-C1097 PolarHBondContact NH2-SG 2.04Å; R947-C1097 PolarHBondContact O-N 2.8Å |
| 948 | T | 88.5 | Confident | 92.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -157.5 | 165.5 | -177.7 | -175 | 0 | 0 | 0 | 0 | 111.3 | F946 Q950 L970 N999 N1000 L1001 F1094 V1095 | F946-T948 HydrophobicContact CD2-CG2 4.22Å; F946-T948 HydrophobicContact CE2-CG2 4.1Å; T948-Q950 WeakPolarHBondContact OG1-CB 3.2Å; T948-Q950 PolarHBondContact OG1-N 2.81Å; T948-L970 HydrophobicContact CG2-CD2 3.56Å; T948-N999 CarbonylContact O-C 3.32Å; T948-N999 VanDerWaalsContact O-CA 3.27Å; T948-N999 WeakPolarHBondContact O-CA 3.36Å; T948-N1000 PolarHBondContact O-N 2.88Å; T948-L1001 PolarHBondContact O-N 2.94Å; T948-F1094 HydrophobicContact CG2-CE2 3.82Å; T948-V1095 WeakPolarHBondContact CB-O 2.95Å; T948-V1095 PolarHBondContact OG1-O 2.84Å | ||
| 949 | D | 87.9 | Confident | 92.8 | Very high | 99 Ų | 99 | 21.5 Ų | 21.5 | 53% | 0.529 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -106.4 | -3.4 | 165.3 | 61.4 | -14.9 | 0 | 0 | 0 | 112.4 | L1001 | D949-L1001 HydrophobicContact CB-CD1 4.49Å; D949-L1001 HydrophobicContact CB-CD2 4.05Å; D949-L1001 HydrophobicContact CB-CG 4.15Å |
| 950 | Q | 90.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 18% | 0.178 | 10% | 0.102 | C | C | . | . | trans | -76 | 147.3 | 177.3 | -64.1 | -174.2 | -45.1 | 0 | 0 | 112.7 | T948 E952 L970 N999 K1093 V1095 | T948-Q950 WeakPolarHBondContact OG1-CB 3.2Å; T948-Q950 PolarHBondContact OG1-N 2.81Å; Q950-E952 PolarHBondContact OE1-O 3.09Å; Q950-L970 WeakPolarHBondContact O-CD2 3.46Å; Q950-N999 VanDerWaalsContact O-CB 3.26Å; Q950-N999 WeakPolarHBondContact O-CB 3.23Å; Q950-K1093 PolarHBondContact NE2-O 3.17Å; Q950-K1093 PolarHBondContact OE1-O 3.14Å; Q950-V1095 HydrophobicContact CG-CB 4.25Å; Q950-V1095 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 951 | A | 90.8 | Very high | 92.3 | Very high | 38 Ų | 38 | 18.8 Ų | 18.8 | 31% | 0.314 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -78.9 | -22.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | L971 E972 E973 | A951-L971 CarbonylContact O-C 3.56Å; A951-L971 VanDerWaalsContact O-C 3.29Å; A951-E972 PolarHBondContact O-N 3.14Å; A951-E972 VanDerWaalsContact O-N 3.13Å; A951-E973 HydrophobicContact CB-CB 4.12Å; A951-E973 VanDerWaalsContact CB-OE2 3.25Å; A951-E973 WeakPolarHBondContact CB-OE2 3.35Å; A951-E973 PolarHBondContact O-N 3.3Å |
| 952 | E | 93.1 | Very high | 92 | Very high | 52 Ų | 52 | 19.8 Ų | 19.8 | 24% | 0.243 | 10% | 0.099 | C | C | . | . | trans | -149.7 | 147.4 | -178 | 67.9 | -168.5 | 150.2 | 0 | 0 | 110.1 | Q950 L970 K1092 | Q950-E952 PolarHBondContact OE1-O 3.09Å; E952-L970 VanDerWaalsContact CA-O 3.25Å; E952-L970 WeakPolarHBondContact CA-O 3.39Å; E952-K1092 HydrophobicContact CG-CB 4.25Å; E952-K1092 HydrophobicContact CG-CD 3.87Å; E952-K1092 HydrophobicContact CG-CG 4.18Å; E952-K1092 WeakPolarHBondContact OE1-CD 3.46Å; E952-K1092 WeakPolarHBondContact OE1-CE 3.32Å; E952-K1092 IonicContact OE1-NZ 2.7Å; E952-K1092 PolarHBondContact OE1-NZ 2.86Å | ||
| 953 | G | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | 138.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L955 H969 L970 K1092 | G953-L955 PolarHBondContact O-N 3.16Å; G953-H969 WeakPolarHBondContact O-CA 3.4Å; G953-L970 PolarHBondContact N-O 2.67Å; G953-L970 VanDerWaalsContact N-O 3.08Å; G953-L970 PolarHBondContact O-N 2.83Å; G953-K1092 WeakPolarHBondContact CA-O 3.06Å |
| 954 | L | 94.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 108.8 | 175.7 | -179.3 | 63.5 | 0 | 0 | 0 | 110.1 | Q967 H969 V1049 G1070 L1072 I1091 K1092 F1094 | L954-Q967 HydrophobicContact CD1-CG 3.92Å; L954-H969 HydrophobicContact CD1-CB 4.27Å; L954-V1049 HydrophobicContact CD1-CG2 4.33Å; L954-V1049 HydrophobicContact CD2-CG2 4.04Å; L954-G1070 CarbonylContact O-C 3.6Å; L954-L1072 HydrophobicContact CD2-CD1 3.41Å; L954-L1072 VanDerWaalsContact CD2-CD1 3.41Å; L954-L1072 HydrophobicContact CD2-CG 3.62Å; L954-I1091 HydrophobicContact CB-CG2 3.99Å; L954-K1092 PolarHBondContact N-O 3.47Å; L954-F1094 WeakPolarHBondContact O-CB 3.13Å |
| 955 | L | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -52.6 | -176.4 | -59.8 | 171.3 | 0 | 0 | 0 | 110.9 | F944 F946 G953 V968 V976 G1070 F1094 M1098 | F944-L955 HydrophobicContact CE2-CB 4.07Å; F944-L955 HydrophobicContact CE2-CD1 4.26Å; F944-L955 HydrophobicContact CZ-CB 4.05Å; F944-L955 HydrophobicContact CZ-CD1 4.28Å; F946-L955 HydrophobicContact CB-CD2 4.18Å; F946-L955 HydrophobicContact CD1-CD1 3.9Å; F946-L955 HydrophobicContact CD1-CD2 4.16Å; F946-L955 HydrophobicContact CD2-CD2 3.89Å; F946-L955 HydrophobicContact CE1-CD1 3.76Å; F946-L955 HydrophobicContact CE2-CD2 4.31Å; F946-L955 HydrophobicContact CG-CD1 4.37Å; F946-L955 HydrophobicContact CG-CD2 3.8Å; F946-L955 HydrophobicContact CZ-CD1 4.13Å; G953-L955 PolarHBondContact O-N 3.16Å; L955-V968 WeakPolarHBondContact CA-O 3.27Å; L955-V968 WeakPolarHBondContact CB-O 3.16Å; L955-V968 HydrophobicContact CD1-CG1 4.25Å; L955-V968 PolarHBondContact N-O 2.69Å; L955-V976 HydrophobicContact CD1-CG1 4.22Å; L955-G1070 PolarHBondContact O-N 2.62Å; L955-F1094 HydrophobicContact CD2-CD2 3.35Å; L955-F1094 HydrophobicContact CD2-CE2 3.46Å; L955-F1094 VanDerWaalsContact CD2-CE2 3.46Å; L955-F1094 HydrophobicContact CD2-CG 4.02Å; L955-F1094 HydrophobicContact CD2-CZ 4.24Å; L955-M1098 HydrophobicContact CB-CE 3.82Å; L955-M1098 HydrophobicContact CD2-CE 3.49Å; L955-M1098 VanDerWaalsContact CD2-CE 3.49Å; L955-M1098 HydrophobicContact CG-CE 4.28Å; L955-M1098 WeakPolarHBondContact O-CE 3.34Å |
| 956 | L | 95.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 139 | -174.2 | -177.5 | 145.3 | 0 | 0 | 0 | 110.5 | I942 F944 I966 Q967 V968 L1067 Y1068 L1101 | I942-L956 HydrophobicContact CD1-CD1 4.42Å; I942-L956 HydrophobicContact CD1-CD2 4.11Å; I942-L956 HydrophobicContact CG2-CD1 3.84Å; F944-L956 HydrophobicContact CD1-CD1 4.43Å; F944-L956 HydrophobicContact CE1-CD1 4.33Å; L956-I966 HydrophobicContact CD2-CG2 4.3Å; L956-Q967 CarbonylContact O-C 3.58Å; L956-Q967 WeakPolarHBondContact O-CA 3.29Å; L956-V968 HydrophobicContact CB-CB 4.29Å; L956-V968 HydrophobicContact CD2-CG2 4.49Å; L956-V968 PolarHBondContact N-O 2.82Å; L956-V968 PolarHBondContact O-N 2.98Å; L956-L1067 HydrophobicContact CD1-CD1 3.65Å; L956-L1067 HydrophobicContact CD2-CD1 3.92Å; L956-L1067 HydrophobicContact CG-CD1 3.54Å; L956-Y1068 WeakPolarHBondContact CA-O 3.38Å; L956-L1101 HydrophobicContact CD1-CD1 4.34Å |
| 957 | Y | 94.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 123.4 | 168.4 | 176.9 | -107.7 | 0 | 0 | 0 | 109.9 | H959 F965 I966 Q967 V1049 Y1068 L1072 Y1087 | Y957-H959 HydrophobicContact CE1-CB 4.24Å; Y957-H959 AromaticContact CE1-CD2 3.51Å; Y957-F965 HydrophobicContact CE2-CB 3.88Å; Y957-F965 HydrophobicContact CE2-CD2 4.04Å; Y957-F965 HydrophobicContact CE2-CG 4.23Å; Y957-I966 CarbonylContact C-O 3.34Å; Y957-I966 WeakPolarHBondContact CA-O 3.39Å; Y957-Q967 HydrophobicContact CD2-CB 4.11Å; Y957-V1049 HydrophobicContact CD1-CG1 4.04Å; Y957-V1049 HydrophobicContact CD2-CB 3.81Å; Y957-V1049 HydrophobicContact CD2-CG1 4.16Å; Y957-V1049 HydrophobicContact CD2-CG2 3.98Å; Y957-V1049 HydrophobicContact CE1-CB 4.32Å; Y957-V1049 HydrophobicContact CE1-CG1 3.64Å; Y957-V1049 HydrophobicContact CE2-CB 3.55Å; Y957-V1049 HydrophobicContact CE2-CG1 3.8Å; Y957-V1049 HydrophobicContact CE2-CG2 4.25Å; Y957-V1049 HydrophobicContact CG-CB 4.3Å; Y957-V1049 HydrophobicContact CG-CG1 4.26Å; Y957-V1049 HydrophobicContact CG-CG2 4.26Å; Y957-Y1068 HydrophobicContact CD1-CD2 4.17Å; Y957-Y1068 PolarHBondContact N-O 3.04Å; Y957-Y1068 WeakPolarHBondContact O-CA 3.22Å; Y957-Y1068 WeakPolarHBondContact O-CB 3.34Å; Y957-Y1068 PolarHBondContact O-N 3.07Å; Y957-L1072 HydrophobicContact CD1-CD2 3.83Å; Y957-L1072 HydrophobicContact CG-CD2 4.49Å; Y957-Y1087 HydrophobicContact CE1-CD1 4.07Å; Y957-Y1087 AromaticContact CE1-CE1 3.9Å; Y957-Y1087 HydrophobicContact CE1-CE1 3.9Å |
| 958 | A | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A937 F965 I966 T1065 L1066 L1067 | A937-A958 HydrophobicContact CB-CB 4.15Å; A958-F965 CarbonylContact O-C 3.6Å; A958-F965 WeakPolarHBondContact O-CA 3.25Å; A958-I966 HydrophobicContact CB-CG2 3.82Å; A958-I966 PolarHBondContact N-O 3.49Å; A958-I966 PolarHBondContact O-N 3.26Å; A958-T1065 HydrophobicContact CB-CG2 4.45Å; A958-L1066 CarbonylContact C-O 3.55Å; A958-L1066 WeakPolarHBondContact CA-O 3.47Å; A958-L1066 WeakPolarHBondContact CB-O 3.11Å; A958-L1067 HydrophobicContact CB-CB 4.12Å; A958-L1067 HydrophobicContact CB-CD1 3.92Å |
| 959 | H | 91.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 156.9 | 173.8 | 78.4 | 88.6 | 0 | 0 | 0 | 114 | Y957 Y963 N964 F965 Y1064 T1065 L1066 Y1087 | Y957-H959 HydrophobicContact CE1-CB 4.24Å; Y957-H959 AromaticContact CE1-CD2 3.51Å; H959-Y963 AromaticContact ND1-CD1 3.78Å; H959-N964 CarbonylContact C-O 3.47Å; H959-N964 WeakPolarHBondContact CA-O 3.01Å; H959-N964 WeakPolarHBondContact CB-O 3.45Å; H959-F965 HydrophobicContact CB-CB 4.12Å; H959-Y1064 AromaticContact CE1-CE2 3.85Å; H959-T1065 CarbonylContact O-C 3.59Å; H959-T1065 WeakPolarHBondContact O-CA 3.46Å; H959-L1066 PolarHBondContact N-O 3.25Å; H959-L1066 PolarHBondContact O-N 2.61Å; H959-Y1087 AromaticContact CD2-CE1 3.97Å; H959-Y1087 AromaticContact NE2-CE1 3.6Å; H959-Y1087 AromaticContact NE2-CZ 3.65Å; H959-Y1087 PolarHBondContact NE2-OH 3.21Å |
| 960 | D | 89.6 | Confident | 92.4 | Very high | 10 Ų | 10 | 12 Ų | 12 | 5% | 0.053 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -172.8 | 173.7 | 76.8 | -2 | 0 | 0 | 0 | 113.5 | L938 F962 Y963 N964 Y1064 | L938-D960 HydrophobicContact CD1-CB 3.78Å; D960-F962 PolarHBondContact O-N 3.47Å; D960-F962 WeakPolarHBondContact OD1-CA 3.41Å; D960-F962 PolarHBondContact OD1-N 3.37Å; D960-Y963 PolarHBondContact O-N 3.06Å; D960-Y963 PolarHBondContact OD1-N 2.84Å; D960-N964 PolarHBondContact N-O 2.93Å; D960-N964 WeakPolarHBondContact OD1-CB 3.5Å; D960-N964 PolarHBondContact OD1-N 3.47Å; D960-N964 PolarHBondContact OD1-ND2 2.03Å; D960-N964 PolarHBondContact OD2-ND2 3.06Å; D960-Y1064 VanDerWaalsContact CA-O 3.26Å; D960-Y1064 WeakPolarHBondContact CA-O 3.29Å; D960-Y1064 VanDerWaalsContact CB-O 3.32Å; D960-Y1064 WeakPolarHBondContact CB-O 3.28Å |
| 961 | Q | 82.4 | Confident | 92.5 | Very high | 23 Ų | 23 | 11.8 Ų | 11.8 | 11% | 0.107 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.9 | 175.8 | 74.1 | -68.1 | -32.6 | 0 | 0 | 115.3 | V1061 Y1064 | Q961-V1061 HydrophobicContact CB-CG1 3.87Å; Q961-Y1064 HydrophobicContact CB-CD1 3.95Å; Q961-Y1064 HydrophobicContact CB-CE1 3.57Å; Q961-Y1064 PolarHBondContact OE1-O 3.17Å |
| 962 | F | 86.4 | Confident | 92.4 | Very high | 58 Ų | 58 | 14.6 Ų | 14.6 | 25% | 0.254 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -0.2 | 177.3 | -59.2 | -39.8 | 0 | 0 | 0 | 113.1 | D960 N964 P1034 A1037 | D960-F962 PolarHBondContact O-N 3.47Å; D960-F962 WeakPolarHBondContact OD1-CA 3.41Å; D960-F962 PolarHBondContact OD1-N 3.37Å; F962-N964 VanDerWaalsContact C-N 3.3Å; F962-P1034 WeakPolarHBondContact CE2-O 2.98Å; F962-P1034 WeakPolarHBondContact CZ-O 3.33Å; F962-A1037 PolarHBondContact O-N 3.15Å; F962-A1037 VanDerWaalsContact O-N 3.16Å |
| 963 | Y | 86.1 | Confident | 92.2 | Very high | 13 Ų | 13 | 14.2 Ų | 14.2 | 5% | 0.051 | 7% | 0.067 | C | C | . | . | trans | 63.5 | 28 | -170.2 | -54 | -32.1 | 0 | 0 | 0 | 114.7 | H959 D960 F965 Y1036 F1040 P1051 P1052 A1054 | H959-Y963 AromaticContact ND1-CD1 3.78Å; D960-Y963 PolarHBondContact O-N 3.06Å; D960-Y963 PolarHBondContact OD1-N 2.84Å; Y963-F965 PolarHBondContact O-N 2.02Å; Y963-Y1036 AromaticContact CD2-CE2 3.97Å; Y963-Y1036 HydrophobicContact CD2-CE2 3.97Å; Y963-Y1036 HydrophobicContact CE1-CE2 4.4Å; Y963-Y1036 HydrophobicContact CE2-CD2 4.26Å; Y963-Y1036 HydrophobicContact CE2-CE1 4.35Å; Y963-Y1036 AromaticContact CE2-CE2 3.33Å; Y963-Y1036 HydrophobicContact CE2-CE2 3.33Å; Y963-Y1036 AromaticContact CE2-CZ 3.4Å; Y963-Y1036 VanDerWaalsContact CE2-CZ 3.4Å; Y963-Y1036 VanDerWaalsContact CE2-OH 3.3Å; Y963-Y1036 WeakPolarHBondContact CE2-OH 3.36Å; Y963-Y1036 AromaticContact CZ-CE2 3.55Å; Y963-Y1036 AromaticContact CZ-CZ 3.95Å; Y963-Y1036 PolarHBondContact OH-OH 2.87Å; Y963-F1040 WeakPolarHBondContact O-CZ 3.39Å; Y963-P1051 HydrophobicContact CD1-CB 4.04Å; Y963-P1051 HydrophobicContact CD1-CG 3.82Å; Y963-P1051 HydrophobicContact CD2-CG 3.65Å; Y963-P1051 HydrophobicContact CE1-CB 3.83Å; Y963-P1051 HydrophobicContact CE1-CG 3.94Å; Y963-P1051 HydrophobicContact CE2-CB 4.34Å; Y963-P1051 HydrophobicContact CE2-CG 3.75Å; Y963-P1051 HydrophobicContact CG-CB 4.42Å; Y963-P1051 HydrophobicContact CG-CG 3.69Å; Y963-P1052 PolarHBondContact OH-O 2.66Å; Y963-A1054 PolarHBondContact OH-N 3.2Å | ||
| 964 | N | 91.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | trans | -59.5 | 129.1 | 153.5 | -65.5 | -62.1 | 0 | 0 | 0 | 108.2 | L938 H959 D960 F962 N981 L1032 Q1033 | L938-N964 HydrophobicContact CD1-CB 3.74Å; H959-N964 CarbonylContact C-O 3.47Å; H959-N964 WeakPolarHBondContact CA-O 3.01Å; H959-N964 WeakPolarHBondContact CB-O 3.45Å; D960-N964 PolarHBondContact N-O 2.93Å; D960-N964 WeakPolarHBondContact OD1-CB 3.5Å; D960-N964 PolarHBondContact OD1-N 3.47Å; D960-N964 PolarHBondContact OD1-ND2 2.03Å; D960-N964 PolarHBondContact OD2-ND2 3.06Å; F962-N964 VanDerWaalsContact C-N 3.3Å; N964-N981 VanDerWaalsContact CA-OD1 3.29Å; N964-N981 WeakPolarHBondContact CA-OD1 3.37Å; N964-N981 PolarHBondContact OD1-ND2 3.19Å; N964-L1032 HydrophobicContact CB-CD2 4.19Å; N964-Q1033 PolarHBondContact ND2-O 2.9Å; N964-Q1033 VanDerWaalsContact OD1-CB 3.29Å; N964-Q1033 WeakPolarHBondContact OD1-CB 3.39Å; N964-Q1033 PolarHBondContact OD1-N 3.38Å | ||
| 965 | F | 93.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.7 | -172.4 | 76.2 | -90.7 | 0 | 0 | 0 | 113.3 | Y957 A958 H959 Y963 Q967 T979 N981 V986 R1030 F1040 T1048 | Y957-F965 HydrophobicContact CE2-CB 3.88Å; Y957-F965 HydrophobicContact CE2-CD2 4.04Å; Y957-F965 HydrophobicContact CE2-CG 4.23Å; A958-F965 CarbonylContact O-C 3.6Å; A958-F965 WeakPolarHBondContact O-CA 3.25Å; H959-F965 HydrophobicContact CB-CB 4.12Å; Y963-F965 PolarHBondContact O-N 2.02Å; F965-Q967 HydrophobicContact CD2-CB 4.4Å; F965-Q967 HydrophobicContact CE2-CB 4.5Å; F965-T979 HydrophobicContact CE2-CG2 4.06Å; F965-T979 HydrophobicContact CZ-CG2 4.37Å; F965-N981 HydrophobicContact CD1-CB 4.05Å; F965-N981 HydrophobicContact CE1-CB 3.82Å; F965-N981 PolarHBondContact N-OD1 2.75Å; F965-N981 PolarHBondContact O-OD1 2.84Å; F965-V986 HydrophobicContact CE1-CG2 4.23Å; F965-V986 HydrophobicContact CZ-CG1 4.23Å; F965-V986 HydrophobicContact CZ-CG2 3.95Å; F965-R1030 PolarHBondContact O-NH2 2.69Å; F965-F1040 HydrophobicContact CD1-CE2 4.3Å; F965-F1040 HydrophobicContact CD1-CZ 4.31Å; F965-F1040 HydrophobicContact CE1-CD2 4.28Å; F965-F1040 HydrophobicContact CE1-CE2 4.24Å; F965-F1040 HydrophobicContact CE1-CG 4.47Å; F965-F1040 HydrophobicContact CE1-CZ 4.38Å; F965-T1048 HydrophobicContact CE1-CG2 4.31Å; F965-T1048 HydrophobicContact CE2-CG2 3.79Å; F965-T1048 HydrophobicContact CZ-CG2 3.53Å |
| 966 | I | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.3 | 163.6 | 179.4 | 164 | 0 | 0 | 0 | 108.1 | L938 I942 L956 Y957 A958 L978 V1008 Y1010 | L938-I966 HydrophobicContact CD2-CB 4.35Å; L938-I966 HydrophobicContact CD2-CG2 3.94Å; I942-I966 HydrophobicContact CD1-CD1 4.02Å; I942-I966 HydrophobicContact CD1-CG2 4.31Å; L956-I966 HydrophobicContact CD2-CG2 4.3Å; Y957-I966 CarbonylContact C-O 3.34Å; Y957-I966 WeakPolarHBondContact CA-O 3.39Å; A958-I966 HydrophobicContact CB-CG2 3.82Å; A958-I966 PolarHBondContact N-O 3.49Å; A958-I966 PolarHBondContact O-N 3.26Å; I966-L978 HydrophobicContact CD1-CD1 3.54Å; I966-L978 HydrophobicContact CG1-CD1 3.62Å; I966-V1008 HydrophobicContact CD1-CG1 3.95Å; I966-V1008 HydrophobicContact CD1-CG2 4.4Å; I966-Y1010 VanDerWaalsContact CD1-OH 3.31Å; I966-Y1010 WeakPolarHBondContact CD1-OH 3.29Å |
| 967 | Q | 95 | Very high | 92 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.7 | 179.6 | 175 | 175.4 | -40.7 | 0 | 0 | 108.5 | L954 L956 Y957 F965 H969 L978 T979 L1047 | L954-Q967 HydrophobicContact CD1-CG 3.92Å; L956-Q967 CarbonylContact O-C 3.58Å; L956-Q967 WeakPolarHBondContact O-CA 3.29Å; Y957-Q967 HydrophobicContact CD2-CB 4.11Å; F965-Q967 HydrophobicContact CD2-CB 4.4Å; F965-Q967 HydrophobicContact CE2-CB 4.5Å; Q967-H969 PolarHBondContact NE2-CE1 3.05Å; Q967-H969 PolarHBondContact NE2-ND1 2.97Å; Q967-L978 WeakPolarHBondContact O-CA 3.45Å; Q967-T979 PolarHBondContact N-O 3.24Å; Q967-T979 PolarHBondContact O-N 2.87Å; Q967-L1047 PolarHBondContact NE2-O 3.03Å |
| 968 | V | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.1 | 169.1 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | F944 L955 L956 V976 V977 L978 V1006 V1008 | F944-V968 HydrophobicContact CZ-CB 4.45Å; F944-V968 HydrophobicContact CZ-CG1 4.14Å; L955-V968 WeakPolarHBondContact CA-O 3.27Å; L955-V968 WeakPolarHBondContact CB-O 3.16Å; L955-V968 HydrophobicContact CD1-CG1 4.25Å; L955-V968 PolarHBondContact N-O 2.69Å; L956-V968 HydrophobicContact CB-CB 4.29Å; L956-V968 HydrophobicContact CD2-CG2 4.49Å; L956-V968 PolarHBondContact N-O 2.82Å; L956-V968 PolarHBondContact O-N 2.98Å; V968-V976 HydrophobicContact CG1-CG1 3.71Å; V968-V977 WeakPolarHBondContact CA-O 3.32Å; V968-L978 HydrophobicContact CG2-CD1 4.09Å; V968-V1006 HydrophobicContact CG1-CG1 4.4Å; V968-V1008 HydrophobicContact CG2-CG2 4.12Å |
| 969 | H | 95.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 153.8 | -177.8 | 65.2 | -77.9 | 0 | 0 | 0 | 112.8 | G953 L954 Q967 V976 V977 I1091 | G953-H969 WeakPolarHBondContact O-CA 3.4Å; L954-H969 HydrophobicContact CD1-CB 4.27Å; Q967-H969 PolarHBondContact NE2-CE1 3.05Å; Q967-H969 PolarHBondContact NE2-ND1 2.97Å; H969-V976 WeakPolarHBondContact O-CA 3.25Å; H969-V977 VanDerWaalsContact CE1-CB 3.44Å; H969-V977 WeakPolarHBondContact CE1-CB 3.03Å; H969-V977 PolarHBondContact N-O 2.79Å; H969-V977 VanDerWaalsContact N-O 3.12Å; H969-V977 PolarHBondContact ND1-O 3.15Å; H969-V977 PolarHBondContact O-N 2.76Å; H969-I1091 HydrophobicContact CB-CD1 3.87Å; H969-I1091 HydrophobicContact CB-CG2 4.35Å; H969-I1091 WeakPolarHBondContact CD2-CD1 3.31Å |
| 970 | L | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 141.1 | 171.7 | 176.5 | 64.3 | 0 | 0 | 0 | 109.9 | F946 T948 Q950 E952 G953 V976 F998 | F946-L970 HydrophobicContact CE2-CD2 4.33Å; T948-L970 HydrophobicContact CG2-CD2 3.56Å; Q950-L970 WeakPolarHBondContact O-CD2 3.46Å; E952-L970 VanDerWaalsContact CA-O 3.25Å; E952-L970 WeakPolarHBondContact CA-O 3.39Å; G953-L970 PolarHBondContact N-O 2.67Å; G953-L970 VanDerWaalsContact N-O 3.08Å; G953-L970 PolarHBondContact O-N 2.83Å; L970-V976 HydrophobicContact CD1-CG2 3.95Å; L970-F998 HydrophobicContact CD1-CB 3.71Å; L970-F998 HydrophobicContact CD1-CD2 3.58Å; L970-F998 HydrophobicContact CD1-CG 4.02Å; L970-F998 HydrophobicContact CD2-CB 4.46Å |
| 971 | L | 92.4 | Very high | 92.4 | Very high | 33 Ų | 33 | 16.9 Ų | 16.9 | 17% | 0.173 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 145.7 | 178.7 | -173.2 | 70.5 | 0 | 0 | 0 | 110.5 | A951 E973 S974 K975 L1047 | A951-L971 CarbonylContact O-C 3.56Å; A951-L971 VanDerWaalsContact O-C 3.29Å; L971-E973 PolarHBondContact O-N 3.12Å; L971-S974 PolarHBondContact O-N 2.91Å; L971-K975 HydrophobicContact CB-CB 4.28Å; L971-K975 PolarHBondContact N-O 3.08Å; L971-K975 WeakPolarHBondContact O-CB 3.49Å; L971-K975 PolarHBondContact O-N 3.16Å; L971-L1047 HydrophobicContact CD2-CD1 4.42Å |
| 972 | E | 89.4 | Confident | 92.8 | Very high | 98 Ų | 98 | 16.7 Ų | 16.7 | 46% | 0.458 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 35.7 | 176.8 | -68.6 | 168.5 | -126.9 | 0 | 0 | 114.3 | A951 S974 K975 | A951-E972 PolarHBondContact O-N 3.14Å; A951-E972 VanDerWaalsContact O-N 3.13Å; E972-S974 WeakPolarHBondContact O-CB 2.98Å; E972-S974 PolarHBondContact O-N 3.3Å; E972-S974 PolarHBondContact O-OG 2.03Å; E972-K975 HydrophobicContact CB-CD 4.39Å; E972-K975 IonicContact OE1-NZ 3.63Å; E972-K975 PolarHBondContact OE1-NZ 2.83Å; E972-K975 WeakPolarHBondContact OE2-CE 3.01Å; E972-K975 IonicContact OE2-NZ 2.77Å; E972-K975 PolarHBondContact OE2-NZ 3.34Å |
| 973 | E | 87.5 | Confident | 93.1 | Very high | 44 Ų | 44 | 17.4 Ų | 17.4 | 21% | 0.206 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 1.2 | -178.7 | 62.8 | -83.6 | -179.8 | 0 | 0 | 116.5 | A951 L971 R997 F998 N999 | A951-E973 HydrophobicContact CB-CB 4.12Å; A951-E973 VanDerWaalsContact CB-OE2 3.25Å; A951-E973 WeakPolarHBondContact CB-OE2 3.35Å; A951-E973 PolarHBondContact O-N 3.3Å; L971-E973 PolarHBondContact O-N 3.12Å; E973-R997 HydrophobicContact CB-CB 4.41Å; E973-R997 HydrophobicContact CG-CB 4.33Å; E973-R997 HydrophobicContact CG-CG 4.16Å; E973-R997 VanDerWaalsContact CG-NH1 3.33Å; E973-R997 CarbonylContact O-C 3.45Å; E973-R997 WeakPolarHBondContact O-CB 3.49Å; E973-R997 IonicContact OE1-CZ 2.72Å; E973-R997 IonicContact OE1-NH1 3.1Å; E973-R997 PolarHBondContact OE1-NH1 2.96Å; E973-R997 IonicContact OE1-NH2 3.95Å; E973-R997 PolarHBondContact OE1-NH2 2.85Å; E973-F998 PolarHBondContact O-N 3.42Å; E973-N999 HydrophobicContact CB-CB 3.89Å |
| 974 | S | 90.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | -7.6 | -162.5 | 59 | 0 | 0 | 0 | 0 | 113.5 | L971 E972 T992 V993 F998 | L971-S974 PolarHBondContact O-N 2.91Å; E972-S974 WeakPolarHBondContact O-CB 2.98Å; E972-S974 PolarHBondContact O-N 3.3Å; E972-S974 PolarHBondContact O-OG 2.03Å; S974-T992 CarbonylContact O-C 3.5Å; S974-T992 WeakPolarHBondContact O-CA 3.31Å; S974-V993 WeakPolarHBondContact CB-O 3.03Å; S974-V993 PolarHBondContact O-N 2.97Å; S974-F998 VanDerWaalsContact C-CE2 3.47Å; S974-F998 WeakPolarHBondContact O-CE2 3.49Å |
| 975 | K | 94 | Very high | 93.1 | Very high | 53 Ų | 53 | 28.2 Ų | 28.2 | 23% | 0.23 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.6 | 178.4 | -63.8 | 169 | 179.6 | 169.6 | 0 | 109.7 | L971 E972 T990 V991 T992 | L971-K975 HydrophobicContact CB-CB 4.28Å; L971-K975 PolarHBondContact N-O 3.08Å; L971-K975 WeakPolarHBondContact O-CB 3.49Å; L971-K975 PolarHBondContact O-N 3.16Å; E972-K975 HydrophobicContact CB-CD 4.39Å; E972-K975 IonicContact OE1-NZ 3.63Å; E972-K975 PolarHBondContact OE1-NZ 2.83Å; E972-K975 WeakPolarHBondContact OE2-CE 3.01Å; E972-K975 IonicContact OE2-NZ 2.77Å; E972-K975 PolarHBondContact OE2-NZ 3.34Å; K975-T990 HydrophobicContact CB-CG2 3.81Å; K975-T990 HydrophobicContact CD-CG2 4.43Å; K975-T990 HydrophobicContact CG-CG2 4.04Å; K975-V991 WeakPolarHBondContact CA-O 3.37Å; K975-T992 HydrophobicContact CG-CG2 3.96Å |
| 976 | V | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.1 | 161.7 | 175.2 | 0 | 0 | 0 | 0 | 108.7 | F946 L955 V968 H969 L970 T990 V991 F998 L1017 L1019 | F946-V976 HydrophobicContact CE1-CG2 4.33Å; F946-V976 HydrophobicContact CZ-CG2 4.04Å; L955-V976 HydrophobicContact CD1-CG1 4.22Å; V968-V976 HydrophobicContact CG1-CG1 3.71Å; H969-V976 WeakPolarHBondContact O-CA 3.25Å; L970-V976 HydrophobicContact CD1-CG2 3.95Å; V976-T990 WeakPolarHBondContact O-CA 3.36Å; V976-V991 PolarHBondContact N-O 3.02Å; V976-V991 PolarHBondContact O-N 2.76Å; V976-F998 HydrophobicContact CG2-CD2 3.95Å; V976-F998 HydrophobicContact CG2-CE2 3.82Å; V976-F998 HydrophobicContact CG2-CZ 4.34Å; V976-L1017 HydrophobicContact CG1-CD2 4.27Å; V976-L1017 WeakPolarHBondContact O-CD2 3.31Å; V976-L1019 HydrophobicContact CB-CD1 3.87Å; V976-L1019 HydrophobicContact CB-CD2 3.61Å; V976-L1019 HydrophobicContact CB-CG 4.42Å; V976-L1019 HydrophobicContact CG1-CD1 3.86Å; V976-L1019 HydrophobicContact CG1-CD2 4.14Å; V976-L1019 HydrophobicContact CG2-CD2 3.54Å |
| 977 | V | 95.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.1 | -168.9 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | V968 H969 Q988 C989 T990 | V968-V977 WeakPolarHBondContact CA-O 3.32Å; H969-V977 VanDerWaalsContact CE1-CB 3.44Å; H969-V977 WeakPolarHBondContact CE1-CB 3.03Å; H969-V977 PolarHBondContact N-O 2.79Å; H969-V977 VanDerWaalsContact N-O 3.12Å; H969-V977 PolarHBondContact ND1-O 3.15Å; H969-V977 PolarHBondContact O-N 2.76Å; V977-Q988 HydrophobicContact CG1-CB 4.47Å; V977-C989 WeakPolarHBondContact CA-O 3.34Å; V977-T990 HydrophobicContact CG2-CG2 3.88Å |
| 978 | L | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.2 | 165.7 | 168.8 | 63.7 | 0 | 0 | 0 | 108.2 | I966 Q967 V968 L980 Q988 C989 V1008 T1015 L1017 I1026 | I966-L978 HydrophobicContact CD1-CD1 3.54Å; I966-L978 HydrophobicContact CG1-CD1 3.62Å; Q967-L978 WeakPolarHBondContact O-CA 3.45Å; V968-L978 HydrophobicContact CG2-CD1 4.09Å; L978-L980 HydrophobicContact CD1-CD2 4.46Å; L978-L980 HydrophobicContact CD2-CD2 4.4Å; L978-L980 HydrophobicContact CG-CD2 4.48Å; L978-Q988 CarbonylContact O-C 3.56Å; L978-Q988 WeakPolarHBondContact O-CA 3.41Å; L978-C989 PolarHBondContact N-O 3.34Å; L978-C989 PolarHBondContact O-N 3.44Å; L978-V1008 HydrophobicContact CD1-CG1 4.34Å; L978-V1008 HydrophobicContact CD1-CG2 4.17Å; L978-V1008 HydrophobicContact CD2-CG1 4.01Å; L978-V1008 HydrophobicContact CD2-CG2 4.49Å; L978-T1015 HydrophobicContact CD2-CG2 4.2Å; L978-L1017 HydrophobicContact CB-CB 3.9Å; L978-L1017 HydrophobicContact CB-CD1 4.36Å; L978-L1017 HydrophobicContact CB-CD2 3.8Å; L978-L1017 HydrophobicContact CB-CG 4.23Å; L978-L1017 HydrophobicContact CD2-CB 3.95Å; L978-I1026 HydrophobicContact CD2-CD1 4.34Å; L978-I1026 HydrophobicContact CG-CD1 4.49Å |
| 979 | T | 94.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.7 | 174.8 | -50 | 0 | 0 | 0 | 0 | 109.1 | F965 Q967 V986 | F965-T979 HydrophobicContact CE2-CG2 4.06Å; F965-T979 HydrophobicContact CZ-CG2 4.37Å; Q967-T979 PolarHBondContact N-O 3.24Å; Q967-T979 PolarHBondContact O-N 2.87Å; T979-V986 HydrophobicContact CG2-CG1 3.3Å |
| 980 | L | 94.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160.6 | 179.2 | 59.4 | 75 | 0 | 0 | 0 | 111.6 | L978 K987 T1015 I1026 R1030 | L978-L980 HydrophobicContact CD1-CD2 4.46Å; L978-L980 HydrophobicContact CD2-CD2 4.4Å; L978-L980 HydrophobicContact CG-CD2 4.48Å; L980-K987 HydrophobicContact CD1-CB 4.23Å; L980-K987 PolarHBondContact N-O 2.67Å; L980-K987 PolarHBondContact O-N 2.04Å; L980-K987 VanDerWaalsContact O-O 3.09Å; L980-T1015 HydrophobicContact CD2-CG2 4.02Å; L980-I1026 HydrophobicContact CD1-CD1 4.17Å; L980-I1026 HydrophobicContact CD2-CD1 4.04Å; L980-I1026 HydrophobicContact CG-CD1 3.88Å; L980-R1030 HydrophobicContact CD1-CG 4.33Å |
| 981 | N | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 145.1 | 172.2 | 77.8 | -57.1 | 0 | 0 | 0 | 112.8 | N964 F965 L983 R985 R1030 F1040 | N964-N981 VanDerWaalsContact CA-OD1 3.29Å; N964-N981 WeakPolarHBondContact CA-OD1 3.37Å; N964-N981 PolarHBondContact OD1-ND2 3.19Å; F965-N981 HydrophobicContact CD1-CB 4.05Å; F965-N981 HydrophobicContact CE1-CB 3.82Å; F965-N981 PolarHBondContact N-OD1 2.75Å; F965-N981 PolarHBondContact O-OD1 2.84Å; N981-L983 PolarHBondContact ND2-O 3.41Å; N981-R985 WeakPolarHBondContact CA-O 3.24Å; N981-R1030 PolarHBondContact O-NE 2.78Å; N981-R1030 PolarHBondContact O-NH2 3.16Å; N981-R1030 VanDerWaalsContact O-NH2 3.15Å; N981-R1030 PolarHBondContact OD1-NH2 2.76Å; N981-F1040 HydrophobicContact CB-CD1 4.1Å; N981-F1040 HydrophobicContact CB-CE1 3.74Å; N981-F1040 HydrophobicContact CB-CZ 4.48Å |
| 982 | D | 91.5 | Very high | 92.4 | Very high | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 101.4 | 166.1 | -179 | 25.6 | 0 | 0 | 0 | 106.8 | L984 R985 K987 N1031 | D982-L984 PolarHBondContact O-N 2.87Å; D982-R985 PolarHBondContact N-O 3.09Å; D982-R985 PolarHBondContact O-N 2.64Å; D982-K987 HydrophobicContact CB-CD 3.92Å; D982-K987 HydrophobicContact CB-CG 4.45Å; D982-K987 WeakPolarHBondContact OD2-CE 3.26Å; D982-K987 IonicContact OD2-NZ 3.46Å; D982-K987 PolarHBondContact OD2-NZ 3.18Å; D982-N1031 WeakPolarHBondContact OD1-CB 3.44Å; D982-N1031 PolarHBondContact OD1-N 2.78Å |
| 983 | L | 91.6 | Very high | 92.1 | Very high | 72 Ų | 72 | 39 Ų | 39 | 38% | 0.377 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | -113.3 | -161.7 | -56.7 | 173.7 | 0 | 0 | 0 | 111.6 | N981 N1031 F1040 | N981-L983 PolarHBondContact ND2-O 3.41Å; L983-N1031 HydrophobicContact CD2-CB 3.96Å; L983-N1031 HydrophobicContact CG-CB 4Å; L983-N1031 PolarHBondContact N-O 2.95Å; L983-F1040 WeakPolarHBondContact O-CE1 3.11Å |
| 984 | L | 88.2 | Confident | 91.7 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 40% | 0.398 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.5 | 177 | -66.6 | 177.5 | 0 | 0 | 0 | 114 | D982 Q1033 A1037 N1041 | D982-L984 PolarHBondContact O-N 2.87Å; L984-Q1033 VanDerWaalsContact CG-NE2 3.34Å; L984-A1037 HydrophobicContact CD2-CB 4.16Å; L984-N1041 PolarHBondContact O-N 2.86Å |
| 985 | R | 89.9 | Confident | 90.9 | Very high | 165 Ų | 165 | 44.8 Ų | 44.8 | 62% | 0.623 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.8 | 179.4 | -64.4 | -173.8 | 178.7 | 97.9 | -2.1 | 109.7 | N981 D982 | N981-R985 WeakPolarHBondContact CA-O 3.24Å; D982-R985 PolarHBondContact N-O 3.09Å; D982-R985 PolarHBondContact O-N 2.64Å |
| 986 | V | 90.6 | Very high | 90.1 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 13% | 0.127 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 133.3 | 165.5 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | F965 T979 F1040 N1041 D1042 | F965-V986 HydrophobicContact CE1-CG2 4.23Å; F965-V986 HydrophobicContact CZ-CG1 4.23Å; F965-V986 HydrophobicContact CZ-CG2 3.95Å; T979-V986 HydrophobicContact CG2-CG1 3.3Å; V986-F1040 HydrophobicContact CG2-CB 3.85Å; V986-F1040 HydrophobicContact CG2-CG 4.34Å; V986-N1041 PolarHBondContact N-O 2.88Å; V986-D1042 HydrophobicContact CB-CB 4.1Å; V986-D1042 HydrophobicContact CG2-CB 3.63Å |
| 987 | K | 92.1 | Very high | 89.6 | Confident | 58 Ų | 58 | 52 Ų | 52 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.2 | 171.9 | -70.2 | 179 | 169.2 | 175.2 | 0 | 108 | L980 D982 I1026 | L980-K987 HydrophobicContact CD1-CB 4.23Å; L980-K987 PolarHBondContact N-O 2.67Å; L980-K987 PolarHBondContact O-N 2.04Å; L980-K987 VanDerWaalsContact O-O 3.09Å; D982-K987 HydrophobicContact CB-CD 3.92Å; D982-K987 HydrophobicContact CB-CG 4.45Å; D982-K987 WeakPolarHBondContact OD2-CE 3.26Å; D982-K987 IonicContact OD2-NZ 3.46Å; D982-K987 PolarHBondContact OD2-NZ 3.18Å; K987-I1026 HydrophobicContact CB-CD1 4.25Å; K987-I1026 HydrophobicContact CB-CG2 4.02Å; K987-I1026 HydrophobicContact CD-CG2 3.64Å; K987-I1026 HydrophobicContact CG-CG2 4.41Å |
| 988 | Q | 92.1 | Very high | 89.2 | Confident | 98 Ų | 98 | 51.9 Ų | 51.9 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.6 | 179.7 | 70.6 | -177.5 | 6.2 | 0 | 0 | 112 | V977 L978 | V977-Q988 HydrophobicContact CG1-CB 4.47Å; L978-Q988 CarbonylContact O-C 3.56Å; L978-Q988 WeakPolarHBondContact O-CA 3.41Å |
| 989 | C | 93.1 | Very high | 88.8 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 130.5 | 177.2 | -162.7 | 0 | 0 | 0 | 0 | 109.2 | V977 L978 C1024 S1025 I1026 | V977-C989 WeakPolarHBondContact CA-O 3.34Å; L978-C989 PolarHBondContact N-O 3.34Å; L978-C989 PolarHBondContact O-N 3.44Å; C989-C1024 WeakPolarHBondContact CB-SG 3.18Å; C989-C1024 WeakPolarHBondContact SG-CB 3.42Å; C989-C1024 PolarHBondContact SG-O 3.43Å; C989-C1024 CovalentContact SG-SG 2.03Å; C989-C1024 PolarHBondContact SG-SG 2.9Å; C989-S1025 VanDerWaalsContact SG-C 3.54Å; C989-S1025 PolarHBondContact SG-N 2.79Å; C989-S1025 PolarHBondContact SG-O 2.7Å; C989-I1026 HydrophobicContact CB-CD1 4.02Å; C989-I1026 HydrophobicContact CB-CG1 3.57Å |
| 990 | T | 94.7 | Very high | 88.4 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.4 | -173.5 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | K975 V976 V977 C1024 | K975-T990 HydrophobicContact CB-CG2 3.81Å; K975-T990 HydrophobicContact CD-CG2 4.43Å; K975-T990 HydrophobicContact CG-CG2 4.04Å; V976-T990 WeakPolarHBondContact O-CA 3.36Å; V977-T990 HydrophobicContact CG2-CG2 3.88Å; T990-C1024 PolarHBondContact N-SG 2.86Å; T990-C1024 VanDerWaalsContact N-SG 3.4Å |
| 991 | V | 93.9 | Very high | 87.9 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.4 | 164.7 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | K975 V976 V993 L1017 L1019 C1024 | K975-V991 WeakPolarHBondContact CA-O 3.37Å; V976-V991 PolarHBondContact N-O 3.02Å; V976-V991 PolarHBondContact O-N 2.76Å; V991-V993 HydrophobicContact CG1-CG2 4.41Å; V991-L1017 HydrophobicContact CG2-CD2 3.98Å; V991-L1017 HydrophobicContact CG2-CG 4.03Å; V991-L1019 HydrophobicContact CB-CD1 4.17Å; V991-L1019 HydrophobicContact CG1-CB 4.24Å; V991-L1019 HydrophobicContact CG2-CD1 4.2Å; V991-C1024 HydrophobicContact CG2-CB 4.06Å |
| 992 | T | 92.1 | Very high | 87.7 | Confident | 86 Ų | 86 | 67 Ų | 67 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.2 | 178.6 | -50.8 | 0 | 0 | 0 | 0 | 109.7 | S974 K975 | S974-T992 CarbonylContact O-C 3.5Å; S974-T992 WeakPolarHBondContact O-CA 3.31Å; K975-T992 HydrophobicContact CG-CG2 3.96Å |
| 993 | V | 84.3 | Confident | 87.6 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | trans | -117.2 | 127.9 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | S974 V991 P996 F998 | S974-V993 WeakPolarHBondContact CB-O 3.03Å; S974-V993 PolarHBondContact O-N 2.97Å; V991-V993 HydrophobicContact CG1-CG2 4.41Å; V993-P996 WeakPolarHBondContact CG1-O 3.31Å; V993-F998 HydrophobicContact CB-CE2 4.5Å; V993-F998 HydrophobicContact CB-CZ 4.04Å; V993-F998 HydrophobicContact CG2-CE1 4.19Å; V993-F998 HydrophobicContact CG2-CE2 4.37Å; V993-F998 HydrophobicContact CG2-CZ 3.58Å | ||
| 994 | A | 78 | Confident | 87.6 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 82% | 0.818 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -73.4 | -46.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 995 | A | 74.9 | Confident | 87.8 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 67% | 0.669 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -162.9 | 148.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 996 | P | 75.8 | Confident | 88 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | S | Bend | cis | -67.2 | 160 | -12.5 | 31.8 | -35.6 | 0 | 0 | 0 | 111.5 | V993 | V993-P996 WeakPolarHBondContact CG1-O 3.31Š|
| 997 | R | 85.5 | Confident | 88.2 | Confident | 118 Ų | 118 | 54.4 Ų | 54.4 | 45% | 0.445 | 30% | 0.304 | S | S | . | . | trans | -81.4 | 156.4 | 176.3 | -73.2 | 161.6 | 164.9 | -138.6 | -16.1 | 110.4 | E973 N999 N1000 | E973-R997 HydrophobicContact CB-CB 4.41Å; E973-R997 HydrophobicContact CG-CB 4.33Å; E973-R997 HydrophobicContact CG-CG 4.16Å; E973-R997 VanDerWaalsContact CG-NH1 3.33Å; E973-R997 CarbonylContact O-C 3.45Å; E973-R997 WeakPolarHBondContact O-CB 3.49Å; E973-R997 IonicContact OE1-CZ 2.72Å; E973-R997 IonicContact OE1-NH1 3.1Å; E973-R997 PolarHBondContact OE1-NH1 2.96Å; E973-R997 IonicContact OE1-NH2 3.95Å; E973-R997 PolarHBondContact OE1-NH2 2.85Å; R997-N999 VanDerWaalsContact CB-OD1 3.23Å; R997-N999 WeakPolarHBondContact CB-OD1 3.23Å; R997-N999 PolarHBondContact O-N 2.82Å; R997-N1000 VanDerWaalsContact O-CB 3.28Å; R997-N1000 WeakPolarHBondContact O-CB 3.35Å; R997-N1000 PolarHBondContact O-ND2 3.45Å; R997-N1000 PolarHBondContact O-OD1 3.34Å | ||
| 998 | F | 87.4 | Confident | 88.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -69.9 | -17.3 | -177.9 | -60 | -55.9 | 0 | 0 | 0 | 113.9 | F946 L970 E973 S974 V976 V993 N1000 N1004 L1019 | F946-F998 HydrophobicContact CE2-CB 4.3Å; F946-F998 HydrophobicContact CZ-CB 4.25Å; F946-F998 HydrophobicContact CZ-CD1 4.42Å; F946-F998 HydrophobicContact CZ-CG 4.34Å; L970-F998 HydrophobicContact CD1-CB 3.71Å; L970-F998 HydrophobicContact CD1-CD2 3.58Å; L970-F998 HydrophobicContact CD1-CG 4.02Å; L970-F998 HydrophobicContact CD2-CB 4.46Å; E973-F998 PolarHBondContact O-N 3.42Å; S974-F998 VanDerWaalsContact C-CE2 3.47Å; S974-F998 WeakPolarHBondContact O-CE2 3.49Å; V976-F998 HydrophobicContact CG2-CD2 3.95Å; V976-F998 HydrophobicContact CG2-CE2 3.82Å; V976-F998 HydrophobicContact CG2-CZ 4.34Å; V993-F998 HydrophobicContact CB-CE2 4.5Å; V993-F998 HydrophobicContact CB-CZ 4.04Å; V993-F998 HydrophobicContact CG2-CE1 4.19Å; V993-F998 HydrophobicContact CG2-CE2 4.37Å; V993-F998 HydrophobicContact CG2-CZ 3.58Å; F998-N1000 PolarHBondContact O-N 2.76Å; F998-N1000 VanDerWaalsContact O-N 3.12Å; F998-N1004 HydrophobicContact CD1-CB 4.33Å; F998-N1004 WeakPolarHBondContact CD1-OD1 3.43Å; F998-L1019 HydrophobicContact CD1-CD2 4.43Å; F998-L1019 HydrophobicContact CE1-CD2 3.62Å; F998-L1019 HydrophobicContact CE2-CD2 4.18Å; F998-L1019 HydrophobicContact CZ-CD2 3.46Å; F998-L1019 VanDerWaalsContact CZ-CD2 3.46Å |
| 999 | N | 87.3 | Confident | 88.4 | Confident | 57 Ų | 57 | 49 Ų | 49 | 31% | 0.305 | 28% | 0.28 | S | S | . | . | trans | -82.4 | 31.1 | 178 | 78.8 | -41.4 | 0 | 0 | 0 | 113.3 | T948 Q950 E973 R997 | T948-N999 CarbonylContact O-C 3.32Å; T948-N999 VanDerWaalsContact O-CA 3.27Å; T948-N999 WeakPolarHBondContact O-CA 3.36Å; Q950-N999 VanDerWaalsContact O-CB 3.26Å; Q950-N999 WeakPolarHBondContact O-CB 3.23Å; E973-N999 HydrophobicContact CB-CB 3.89Å; R997-N999 VanDerWaalsContact CB-OD1 3.23Å; R997-N999 WeakPolarHBondContact CB-OD1 3.23Å; R997-N999 PolarHBondContact O-N 2.82Å | ||
| 1000 | N | 85.9 | Confident | 88.2 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -106.1 | 9.2 | -172.4 | 69.2 | -6.1 | 0 | 0 | 0 | 113.9 | T948 R997 F998 Q1002 | T948-N1000 PolarHBondContact O-N 2.88Å; R997-N1000 VanDerWaalsContact O-CB 3.28Å; R997-N1000 WeakPolarHBondContact O-CB 3.35Å; R997-N1000 PolarHBondContact O-ND2 3.45Å; R997-N1000 PolarHBondContact O-OD1 3.34Å; F998-N1000 PolarHBondContact O-N 2.76Å; F998-N1000 VanDerWaalsContact O-N 3.12Å; N1000-Q1002 PolarHBondContact ND2-OE1 3.38Å; N1000-Q1002 PolarHBondContact O-N 3.02Å; N1000-Q1002 VanDerWaalsContact O-N 3.08Å; N1000-Q1002 WeakPolarHBondContact OD1-CB 3.48Å; N1000-Q1002 PolarHBondContact OD1-N 2.89Å |
| 1001 | L | 83.8 | Confident | 87.7 | Confident | 100 Ų | 100 | 50.2 Ų | 50.2 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 57 | 14.2 | -174.3 | -62.6 | 167.8 | 0 | 0 | 0 | 115.5 | R947 T948 D949 | R947-L1001 WeakPolarHBondContact CD-O 3.32Å; T948-L1001 PolarHBondContact O-N 2.94Å; D949-L1001 HydrophobicContact CB-CD1 4.49Å; D949-L1001 HydrophobicContact CB-CD2 4.05Å; D949-L1001 HydrophobicContact CB-CG 4.15Å |
| 1002 | Q | 88.8 | Confident | 87.1 | Confident | 115 Ų | 115 | 55.4 Ų | 55.4 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | trans | -86.4 | 153.7 | 170.9 | -59.9 | -173.9 | -25.6 | 0 | 0 | 110.9 | R947 N1000 N1004 | R947-Q1002 WeakPolarHBondContact CA-O 3.33Å; R947-Q1002 WeakPolarHBondContact CB-O 3.45Å; N1000-Q1002 PolarHBondContact ND2-OE1 3.38Å; N1000-Q1002 PolarHBondContact O-N 3.02Å; N1000-Q1002 VanDerWaalsContact O-N 3.08Å; N1000-Q1002 WeakPolarHBondContact OD1-CB 3.48Å; N1000-Q1002 PolarHBondContact OD1-N 2.89Å; Q1002-N1004 PolarHBondContact O-ND2 2.85Å | ||
| 1003 | W | 89.7 | Confident | 86.9 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 24% | 0.242 | 32% | 0.323 | C | S | . | . | trans | -72.5 | 129.2 | 174 | -70.4 | 113.2 | 0 | 0 | 0 | 110.2 | D917 F946 R947 C1097 R1099 | D917-W1003 HydrophobicContact CB-CH2 4.07Å; D917-W1003 HydrophobicContact CB-CZ2 4.28Å; F946-W1003 WeakPolarHBondContact O-CA 3.21Å; R947-W1003 HydrophobicContact CB-CD2 4.27Å; R947-W1003 HydrophobicContact CB-CE3 4.06Å; R947-W1003 HydrophobicContact CB-CZ3 4.44Å; R947-W1003 HydrophobicContact CG-CD2 4.14Å; R947-W1003 HydrophobicContact CG-CE3 3.97Å; R947-W1003 HydrophobicContact CG-CH2 4.08Å; R947-W1003 HydrophobicContact CG-CZ2 4.22Å; R947-W1003 HydrophobicContact CG-CZ3 3.94Å; W1003-C1097 HydrophobicContact CH2-CB 3.52Å; W1003-C1097 HydrophobicContact CZ2-CB 4.24Å; W1003-C1097 HydrophobicContact CZ3-CB 4.14Å; W1003-C1097 WeakPolarHBondContact CZ3-O 3.24Å; W1003-R1099 HydrophobicContact CD2-CG 4.42Å; W1003-R1099 VanDerWaalsContact CD2-NE 3.33Å; W1003-R1099 HydrophobicContact CE3-CG 3.94Å; W1003-R1099 HydrophobicContact CH2-CB 4.06Å; W1003-R1099 HydrophobicContact CH2-CG 3.8Å; W1003-R1099 HydrophobicContact CZ2-CG 4.3Å; W1003-R1099 HydrophobicContact CZ3-CB 4.19Å; W1003-R1099 HydrophobicContact CZ3-CG 3.61Å | ||
| 1004 | N | 90.6 | Very high | 87.3 | Confident | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.2 | 173.9 | -62.6 | -88.9 | 0 | 0 | 0 | 108.4 | S945 F946 F998 Q1002 E1020 | S945-N1004 VanDerWaalsContact CA-O 3.27Å; S945-N1004 WeakPolarHBondContact CA-O 3.28Å; F946-N1004 HydrophobicContact CD1-CB 4.4Å; F946-N1004 HydrophobicContact CE1-CB 4.01Å; F946-N1004 HydrophobicContact CZ-CB 4.19Å; F946-N1004 PolarHBondContact N-O 3.4Å; F946-N1004 PolarHBondContact O-N 2.82Å; F998-N1004 HydrophobicContact CD1-CB 4.33Å; F998-N1004 WeakPolarHBondContact CD1-OD1 3.43Å; Q1002-N1004 PolarHBondContact O-ND2 2.85Å; N1004-E1020 WeakPolarHBondContact CA-OE1 3.48Å |
| 1005 | Q | 93.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.1 | 176.5 | -171.9 | 72.7 | 72.8 | 0 | 0 | 109.9 | N899 W901 N913 V943 F944 S945 L1019 E1020 | N899-Q1005 PolarHBondContact ND2-OE1 2.88Å; W901-Q1005 HydrophobicContact CB-CG 4.41Å; W901-Q1005 HydrophobicContact CE3-CG 4.12Å; N913-Q1005 PolarHBondContact ND2-OE1 3.44Å; V943-Q1005 VanDerWaalsContact CG1-NE2 3.29Å; F944-Q1005 PolarHBondContact O-NE2 2.83Å; S945-Q1005 VanDerWaalsContact OG-CD 3.24Å; S945-Q1005 PolarHBondContact OG-NE2 3.03Å; S945-Q1005 VanDerWaalsContact OG-NE2 3.13Å; S945-Q1005 PolarHBondContact OG-OE1 2.87Å; S945-Q1005 VanDerWaalsContact OG-OE1 3.13Å; Q1005-L1019 WeakPolarHBondContact O-CA 3.15Å; Q1005-E1020 WeakPolarHBondContact CB-OE1 3.34Å; Q1005-E1020 PolarHBondContact N-OE1 2.99Å; Q1005-E1020 PolarHBondContact O-N 2.82Å; Q1005-E1020 VanDerWaalsContact O-N 3.08Å |
| 1006 | V | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.1 | 175.8 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | V943 F944 F946 V968 L1017 C1018 L1019 | V943-V1006 WeakPolarHBondContact CA-O 3.3Å; F944-V1006 HydrophobicContact CD1-CB 4.2Å; F944-V1006 HydrophobicContact CD2-CB 4.4Å; F944-V1006 HydrophobicContact CD2-CG2 4.42Å; F944-V1006 HydrophobicContact CE1-CB 3.86Å; F944-V1006 HydrophobicContact CE1-CG1 3.78Å; F944-V1006 HydrophobicContact CE1-CG2 4.48Å; F944-V1006 HydrophobicContact CE2-CB 4.07Å; F944-V1006 HydrophobicContact CE2-CG2 3.87Å; F944-V1006 HydrophobicContact CG-CB 4.46Å; F944-V1006 HydrophobicContact CZ-CB 3.79Å; F944-V1006 HydrophobicContact CZ-CG1 3.82Å; F944-V1006 HydrophobicContact CZ-CG2 3.91Å; F944-V1006 PolarHBondContact N-O 3.27Å; F944-V1006 PolarHBondContact O-N 2.63Å; F946-V1006 HydrophobicContact CD1-CG2 3.62Å; F946-V1006 HydrophobicContact CE1-CG2 3.57Å; V968-V1006 HydrophobicContact CG1-CG1 4.4Å; V1006-L1017 HydrophobicContact CG1-CD1 3.75Å; V1006-C1018 WeakPolarHBondContact CA-O 3.41Å; V1006-L1019 HydrophobicContact CG1-CD1 4.2Å; V1006-L1019 HydrophobicContact CG2-CD2 4.36Å; V1006-L1019 HydrophobicContact CG2-CG 4.14Å |
| 1007 | A | 94.7 | Very high | 90 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 123.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | W901 I942 V943 I1009 C1018 | W901-A1007 HydrophobicContact CB-CB 4.33Å; W901-A1007 VanDerWaalsContact CD1-CB 3.42Å; W901-A1007 HydrophobicContact CD2-CB 4.27Å; W901-A1007 HydrophobicContact CG-CB 3.75Å; I942-A1007 CarbonylContact O-C 3.48Å; I942-A1007 WeakPolarHBondContact O-CA 3.32Å; V943-A1007 HydrophobicContact CG2-CB 4.15Å; A1007-I1009 HydrophobicContact CB-CD1 4.46Å; A1007-I1009 HydrophobicContact CB-CG1 4.23Å; A1007-C1018 HydrophobicContact CB-CB 4.47Å; A1007-C1018 PolarHBondContact N-O 3.46Å; A1007-C1018 PolarHBondContact O-N 2.85Å |
| 1008 | V | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.3 | 164.7 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | S941 I942 I966 V968 L978 Y1010 T1015 R1016 L1017 | S941-V1008 CarbonylContact C-O 3.57Å; S941-V1008 WeakPolarHBondContact CA-O 3.15Å; S941-V1008 VanDerWaalsContact CB-O 3.29Å; S941-V1008 WeakPolarHBondContact CB-O 3.32Å; I942-V1008 HydrophobicContact CB-CB 4.31Å; I942-V1008 PolarHBondContact N-O 3.09Å; I942-V1008 PolarHBondContact O-N 2.97Å; I966-V1008 HydrophobicContact CD1-CG1 3.95Å; I966-V1008 HydrophobicContact CD1-CG2 4.4Å; V968-V1008 HydrophobicContact CG2-CG2 4.12Å; L978-V1008 HydrophobicContact CD1-CG1 4.34Å; L978-V1008 HydrophobicContact CD1-CG2 4.17Å; L978-V1008 HydrophobicContact CD2-CG1 4.01Å; L978-V1008 HydrophobicContact CD2-CG2 4.49Å; V1008-Y1010 HydrophobicContact CG1-CE2 4.12Å; V1008-T1015 HydrophobicContact CG1-CG2 4.09Å; V1008-R1016 CarbonylContact C-O 3.55Å; V1008-R1016 VanDerWaalsContact CA-O 3.31Å; V1008-R1016 WeakPolarHBondContact CA-O 3.49Å; V1008-L1017 HydrophobicContact CG2-CD1 4.12Å |
| 1009 | I | 92.4 | Very high | 90.6 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.7 | -172.7 | -51 | 175.2 | 0 | 0 | 0 | 108.9 | A1007 T1015 R1016 | A1007-I1009 HydrophobicContact CB-CD1 4.46Å; A1007-I1009 HydrophobicContact CB-CG1 4.23Å; I1009-T1015 CarbonylContact O-C 3.32Å; I1009-T1015 WeakPolarHBondContact O-CA 3.1Å; I1009-R1016 HydrophobicContact CB-CB 4.45Å; I1009-R1016 PolarHBondContact N-O 2.87Å; I1009-R1016 PolarHBondContact O-N 2.98Å |
| 1010 | Y | 89.5 | Confident | 90.4 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 18% | 0.184 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.9 | 173.9 | -64.8 | -83.6 | 0 | 0 | 0 | 109.5 | L938 S940 I966 V1008 T1015 R1030 | L938-Y1010 PolarHBondContact O-OH 2.91Å; S940-Y1010 VanDerWaalsContact O-CE2 3.28Å; S940-Y1010 WeakPolarHBondContact O-CE2 3.23Å; I966-Y1010 VanDerWaalsContact CD1-OH 3.31Å; I966-Y1010 WeakPolarHBondContact CD1-OH 3.29Å; V1008-Y1010 HydrophobicContact CG1-CE2 4.12Å; Y1010-T1015 HydrophobicContact CD1-CG2 3.66Å; Y1010-T1015 WeakPolarHBondContact CD1-OG1 3.17Å; Y1010-T1015 HydrophobicContact CE1-CG2 3.56Å; Y1010-T1015 HydrophobicContact CG-CG2 4.39Å; Y1010-R1030 PolarHBondContact OH-NH1 3.37Å |
| 1011 | G | 83.6 | Confident | 90 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | trans | -94.3 | -172 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1014 | G1011-E1014 WeakPolarHBondContact CA-O 3.3Å; G1011-E1014 PolarHBondContact N-O 2.83Å | ||
| 1012 | T | 80.7 | Confident | 90.1 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 72% | 0.718 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -71.3 | -43 | 174.7 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1013 | D | 88.8 | Confident | 90.3 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -125.2 | 9.3 | -171.3 | -60.1 | -75.2 | 0 | 0 | 0 | 113.1 | G1028 | D1013-G1028 CarbonylContact O-C 3.45Å; D1013-G1028 VanDerWaalsContact O-CA 3.22Å; D1013-G1028 WeakPolarHBondContact O-CA 3.09Å; D1013-G1028 PolarHBondContact O-N 2.8Å |
| 1014 | E | 92.6 | Very high | 90.5 | Very high | 52 Ų | 52 | 40.3 Ų | 40.3 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.2 | 177.3 | 51.1 | 155.3 | -164 | 0 | 0 | 111.5 | G1011 R1016 I1026 | G1011-E1014 WeakPolarHBondContact CA-O 3.3Å; G1011-E1014 PolarHBondContact N-O 2.83Å; E1014-R1016 IonicContact OE1-CZ 3.86Å; E1014-R1016 VanDerWaalsContact OE1-CZ 3.22Å; E1014-R1016 IonicContact OE1-NE 2.73Å; E1014-R1016 PolarHBondContact OE1-NE 2.82Å; E1014-R1016 IonicContact OE1-NH2 2.69Å; E1014-R1016 PolarHBondContact OE1-NH2 2.96Å; E1014-R1016 VanDerWaalsContact OE2-CD 3.27Å; E1014-R1016 WeakPolarHBondContact OE2-CD 3.16Å; E1014-R1016 VanDerWaalsContact OE2-CG 3.31Å; E1014-R1016 WeakPolarHBondContact OE2-CG 3.44Å; E1014-R1016 IonicContact OE2-NE 3.51Å; E1014-R1016 PolarHBondContact OE2-NE 2.81Å; E1014-I1026 CarbonylContact C-O 3.57Å; E1014-I1026 WeakPolarHBondContact CA-O 3.43Å |
| 1015 | T | 94.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.5 | 162.2 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | L978 L980 V1008 I1009 Y1010 I1026 | L978-T1015 HydrophobicContact CD2-CG2 4.2Å; L980-T1015 HydrophobicContact CD2-CG2 4.02Å; V1008-T1015 HydrophobicContact CG1-CG2 4.09Å; I1009-T1015 CarbonylContact O-C 3.32Å; I1009-T1015 WeakPolarHBondContact O-CA 3.1Å; Y1010-T1015 HydrophobicContact CD1-CG2 3.66Å; Y1010-T1015 WeakPolarHBondContact CD1-OG1 3.17Å; Y1010-T1015 HydrophobicContact CE1-CG2 3.56Å; Y1010-T1015 HydrophobicContact CG-CG2 4.39Å; T1015-I1026 PolarHBondContact N-O 2.81Å; T1015-I1026 PolarHBondContact O-N 2.83Å |
| 1016 | R | 94.8 | Very high | 90.7 | Very high | 80 Ų | 80 | 42.2 Ų | 42.2 | 30% | 0.302 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 138.6 | -178.5 | -81.7 | -175.3 | -81.4 | 128.2 | -2.9 | 112.8 | V1008 I1009 E1014 C1024 | V1008-R1016 CarbonylContact C-O 3.55Å; V1008-R1016 VanDerWaalsContact CA-O 3.31Å; V1008-R1016 WeakPolarHBondContact CA-O 3.49Å; I1009-R1016 HydrophobicContact CB-CB 4.45Å; I1009-R1016 PolarHBondContact N-O 2.87Å; I1009-R1016 PolarHBondContact O-N 2.98Å; E1014-R1016 IonicContact OE1-CZ 3.86Å; E1014-R1016 VanDerWaalsContact OE1-CZ 3.22Å; E1014-R1016 IonicContact OE1-NE 2.73Å; E1014-R1016 PolarHBondContact OE1-NE 2.82Å; E1014-R1016 IonicContact OE1-NH2 2.69Å; E1014-R1016 PolarHBondContact OE1-NH2 2.96Å; E1014-R1016 VanDerWaalsContact OE2-CD 3.27Å; E1014-R1016 WeakPolarHBondContact OE2-CD 3.16Å; E1014-R1016 VanDerWaalsContact OE2-CG 3.31Å; E1014-R1016 WeakPolarHBondContact OE2-CG 3.44Å; E1014-R1016 IonicContact OE2-NE 3.51Å; E1014-R1016 PolarHBondContact OE2-NE 2.81Å; R1016-C1024 CarbonylContact C-O 3.5Å; R1016-C1024 VanDerWaalsContact CA-O 3.24Å; R1016-C1024 WeakPolarHBondContact CA-O 3.48Å |
| 1017 | L | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.8 | 158.2 | 173.1 | 67.4 | 0 | 0 | 0 | 107.5 | V976 L978 V991 V1006 V1008 L1019 C1023 C1024 | V976-L1017 HydrophobicContact CG1-CD2 4.27Å; V976-L1017 WeakPolarHBondContact O-CD2 3.31Å; L978-L1017 HydrophobicContact CB-CB 3.9Å; L978-L1017 HydrophobicContact CB-CD1 4.36Å; L978-L1017 HydrophobicContact CB-CD2 3.8Å; L978-L1017 HydrophobicContact CB-CG 4.23Å; L978-L1017 HydrophobicContact CD2-CB 3.95Å; V991-L1017 HydrophobicContact CG2-CD2 3.98Å; V991-L1017 HydrophobicContact CG2-CG 4.03Å; V1006-L1017 HydrophobicContact CG1-CD1 3.75Å; V1008-L1017 HydrophobicContact CG2-CD1 4.12Å; L1017-L1019 HydrophobicContact CD1-CD1 3.76Å; L1017-L1019 HydrophobicContact CD2-CD1 3.96Å; L1017-L1019 HydrophobicContact CG-CD1 3.74Å; L1017-C1023 CarbonylContact O-C 3.59Å; L1017-C1023 WeakPolarHBondContact O-CA 3.32Å; L1017-C1024 PolarHBondContact N-O 2.72Å; L1017-C1024 PolarHBondContact O-N 3.16Å |
| 1018 | C | 93.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.3 | 172.5 | -65.1 | 0 | 0 | 0 | 0 | 110 | W901 V1006 A1007 S1022 C1023 | W901-C1018 HydrophobicContact CZ2-CB 4.3Å; V1006-C1018 WeakPolarHBondContact CA-O 3.41Å; A1007-C1018 HydrophobicContact CB-CB 4.47Å; A1007-C1018 PolarHBondContact N-O 3.46Å; A1007-C1018 PolarHBondContact O-N 2.85Å; C1018-S1022 WeakPolarHBondContact CA-O 3.41Å; C1018-C1023 HydrophobicContact CB-CB 4.1Å; C1018-C1023 WeakPolarHBondContact CB-SG 3.43Å; C1018-C1023 WeakPolarHBondContact SG-CB 3.22Å; C1018-C1023 CovalentContact SG-SG 2.04Å; C1018-C1023 PolarHBondContact SG-SG 2.9Å |
| 1019 | L | 90.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 113.3 | 166.9 | -86.2 | 84.9 | 0 | 0 | 0 | 108.6 | F946 V976 V991 F998 Q1005 V1006 L1017 S1021 S1022 | F946-L1019 HydrophobicContact CE1-CD2 4.47Å; V976-L1019 HydrophobicContact CB-CD1 3.87Å; V976-L1019 HydrophobicContact CB-CD2 3.61Å; V976-L1019 HydrophobicContact CB-CG 4.42Å; V976-L1019 HydrophobicContact CG1-CD1 3.86Å; V976-L1019 HydrophobicContact CG1-CD2 4.14Å; V976-L1019 HydrophobicContact CG2-CD2 3.54Å; V991-L1019 HydrophobicContact CB-CD1 4.17Å; V991-L1019 HydrophobicContact CG1-CB 4.24Å; V991-L1019 HydrophobicContact CG2-CD1 4.2Å; F998-L1019 HydrophobicContact CD1-CD2 4.43Å; F998-L1019 HydrophobicContact CE1-CD2 3.62Å; F998-L1019 HydrophobicContact CE2-CD2 4.18Å; F998-L1019 HydrophobicContact CZ-CD2 3.46Å; F998-L1019 VanDerWaalsContact CZ-CD2 3.46Å; Q1005-L1019 WeakPolarHBondContact O-CA 3.15Å; V1006-L1019 HydrophobicContact CG1-CD1 4.2Å; V1006-L1019 HydrophobicContact CG2-CD2 4.36Å; V1006-L1019 HydrophobicContact CG2-CG 4.14Å; L1017-L1019 HydrophobicContact CD1-CD1 3.76Å; L1017-L1019 HydrophobicContact CD2-CD1 3.96Å; L1017-L1019 HydrophobicContact CG-CD1 3.74Å; L1019-S1021 PolarHBondContact O-N 2.93Å; L1019-S1022 PolarHBondContact N-O 2.75Å; L1019-S1022 PolarHBondContact O-N 2.92Å |
| 1020 | E | 84.9 | Confident | 89.6 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.8 | -126.6 | -165.9 | -53.4 | -59.5 | 164.2 | 0 | 0 | 110.2 | W901 N1004 Q1005 S1022 | W901-E1020 WeakPolarHBondContact CH2-O 3.31Å; W901-E1020 WeakPolarHBondContact CZ3-O 3.21Å; N1004-E1020 WeakPolarHBondContact CA-OE1 3.48Å; Q1005-E1020 WeakPolarHBondContact CB-OE1 3.34Å; Q1005-E1020 PolarHBondContact N-OE1 2.99Å; Q1005-E1020 PolarHBondContact O-N 2.82Å; Q1005-E1020 VanDerWaalsContact O-N 3.08Å; E1020-S1022 VanDerWaalsContact C-N 3.33Å; E1020-S1022 PolarHBondContact O-N 2.77Å |
| 1021 | S | 76.3 | Confident | 89.7 | Confident | 117 Ų | 117 | 56.9 Ų | 56.9 | 82% | 0.818 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.8 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 115.5 | L1019 | L1019-S1021 PolarHBondContact O-N 2.93Š|
| 1022 | S | 87.1 | Confident | 90.1 | Very high | 51 Ų | 51 | 58 Ų | 58 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.6 | -175.6 | -62 | 0 | 0 | 0 | 0 | 111.6 | C1018 L1019 E1020 | C1018-S1022 WeakPolarHBondContact CA-O 3.41Å; L1019-S1022 PolarHBondContact N-O 2.75Å; L1019-S1022 PolarHBondContact O-N 2.92Å; E1020-S1022 VanDerWaalsContact C-N 3.33Å; E1020-S1022 PolarHBondContact O-N 2.77Å |
| 1023 | C | 91.9 | Very high | 90.5 | Very high | 65 Ų | 65 | 54 Ų | 54 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 153.6 | 178.1 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | L1017 C1018 | L1017-C1023 CarbonylContact O-C 3.59Å; L1017-C1023 WeakPolarHBondContact O-CA 3.32Å; C1018-C1023 HydrophobicContact CB-CB 4.1Å; C1018-C1023 WeakPolarHBondContact CB-SG 3.43Å; C1018-C1023 WeakPolarHBondContact SG-CB 3.22Å; C1018-C1023 CovalentContact SG-SG 2.04Å; C1018-C1023 PolarHBondContact SG-SG 2.9Å |
| 1024 | C | 94.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.2 | 163.4 | 81.6 | 0 | 0 | 0 | 0 | 109.4 | C989 T990 V991 R1016 L1017 | C989-C1024 WeakPolarHBondContact CB-SG 3.18Å; C989-C1024 WeakPolarHBondContact SG-CB 3.42Å; C989-C1024 PolarHBondContact SG-O 3.43Å; C989-C1024 CovalentContact SG-SG 2.03Å; C989-C1024 PolarHBondContact SG-SG 2.9Å; T990-C1024 PolarHBondContact N-SG 2.86Å; T990-C1024 VanDerWaalsContact N-SG 3.4Å; V991-C1024 HydrophobicContact CG2-CB 4.06Å; R1016-C1024 CarbonylContact C-O 3.5Å; R1016-C1024 VanDerWaalsContact CA-O 3.24Å; R1016-C1024 WeakPolarHBondContact CA-O 3.48Å; L1017-C1024 PolarHBondContact N-O 2.72Å; L1017-C1024 PolarHBondContact O-N 3.16Å |
| 1025 | S | 92.9 | Very high | 89.9 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144 | 179.9 | 52.6 | 0 | 0 | 0 | 0 | 113 | C989 E1027 | C989-S1025 VanDerWaalsContact SG-C 3.54Å; C989-S1025 PolarHBondContact SG-N 2.79Å; C989-S1025 PolarHBondContact SG-O 2.7Å; S1025-E1027 WeakPolarHBondContact CB-OE1 3.24Å; S1025-E1027 PolarHBondContact OG-OE1 2.85Å |
| 1026 | I | 93.6 | Very high | 89 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 107.8 | 159.5 | -59 | -179.8 | 0 | 0 | 0 | 106.6 | L978 L980 K987 C989 E1014 T1015 | L978-I1026 HydrophobicContact CD2-CD1 4.34Å; L978-I1026 HydrophobicContact CG-CD1 4.49Å; L980-I1026 HydrophobicContact CD1-CD1 4.17Å; L980-I1026 HydrophobicContact CD2-CD1 4.04Å; L980-I1026 HydrophobicContact CG-CD1 3.88Å; K987-I1026 HydrophobicContact CB-CD1 4.25Å; K987-I1026 HydrophobicContact CB-CG2 4.02Å; K987-I1026 HydrophobicContact CD-CG2 3.64Å; K987-I1026 HydrophobicContact CG-CG2 4.41Å; C989-I1026 HydrophobicContact CB-CD1 4.02Å; C989-I1026 HydrophobicContact CB-CG1 3.57Å; E1014-I1026 CarbonylContact C-O 3.57Å; E1014-I1026 WeakPolarHBondContact CA-O 3.43Å; T1015-I1026 PolarHBondContact N-O 2.81Å; T1015-I1026 PolarHBondContact O-N 2.83Å |
| 1027 | E | 90.8 | Very high | 88.1 | Confident | 127 Ų | 127 | 52 Ų | 52 | 59% | 0.593 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 145.4 | -179.4 | -58.3 | -58.9 | 138.2 | 0 | 0 | 112.7 | S1025 | S1025-E1027 WeakPolarHBondContact CB-OE1 3.24Å; S1025-E1027 PolarHBondContact OG-OE1 2.85Å |
| 1028 | G | 87.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 89.9 | 150.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1013 R1030 | D1013-G1028 CarbonylContact O-C 3.45Å; D1013-G1028 VanDerWaalsContact O-CA 3.22Å; D1013-G1028 WeakPolarHBondContact O-CA 3.09Å; D1013-G1028 PolarHBondContact O-N 2.8Å; G1028-R1030 PolarHBondContact O-N 3.47Å |
| 1029 | Q | 87.1 | Confident | 86 | Confident | 128 Ų | 128 | 69.5 Ų | 69.5 | 60% | 0.598 | 38% | 0.375 | S | S | * | . | trans | -57.9 | 127.6 | 174.7 | -170.5 | -177.1 | 14.9 | 0 | 0 | 111.8 | N1031 | Q1029-N1031 PolarHBondContact O-ND2 2.6Š| ||
| 1030 | R | 90.9 | Very high | 85.6 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | trans | -78 | 128.5 | 176.3 | -176.8 | -170.9 | -178.6 | -175.4 | 6.4 | 111.1 | L938 F965 L980 N981 Y1010 G1028 | L938-R1030 PolarHBondContact O-NH1 3.12Å; F965-R1030 PolarHBondContact O-NH2 2.69Å; L980-R1030 HydrophobicContact CD1-CG 4.33Å; N981-R1030 PolarHBondContact O-NE 2.78Å; N981-R1030 PolarHBondContact O-NH2 3.16Å; N981-R1030 VanDerWaalsContact O-NH2 3.15Å; N981-R1030 PolarHBondContact OD1-NH2 2.76Å; Y1010-R1030 PolarHBondContact OH-NH1 3.37Å; G1028-R1030 PolarHBondContact O-N 3.47Å | ||
| 1031 | N | 91.3 | Very high | 85.4 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | trans | -109.3 | 123 | 174 | -62.6 | -86.2 | 0 | 0 | 0 | 110.7 | D982 L983 Q1029 | D982-N1031 WeakPolarHBondContact OD1-CB 3.44Å; D982-N1031 PolarHBondContact OD1-N 2.78Å; L983-N1031 HydrophobicContact CD2-CB 3.96Å; L983-N1031 HydrophobicContact CG-CB 4Å; L983-N1031 PolarHBondContact N-O 2.95Å; Q1029-N1031 PolarHBondContact O-ND2 2.6Å | ||
| 1032 | L | 91.8 | Very high | 85.5 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | trans | -76 | 141.6 | 173.3 | -58.5 | -172.5 | 0 | 0 | 0 | 110.3 | L938 N964 P1034 | L938-L1032 HydrophobicContact CB-CD1 4.26Å; L938-L1032 HydrophobicContact CB-CD2 4.49Å; N964-L1032 HydrophobicContact CB-CD2 4.19Å; L1032-P1034 WeakPolarHBondContact O-CD 3.22Å | ||
| 1033 | Q | 89.1 | Confident | 84.4 | Confident | 32 Ų | 32 | 71.7 Ų | 71.7 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | trans | -65.1 | 123.6 | 174 | 179.3 | 67.7 | -106.9 | 0 | 0 | 110.5 | N964 L984 A1035 A1037 | N964-Q1033 PolarHBondContact ND2-O 2.9Å; N964-Q1033 VanDerWaalsContact OD1-CB 3.29Å; N964-Q1033 WeakPolarHBondContact OD1-CB 3.39Å; N964-Q1033 PolarHBondContact OD1-N 3.38Å; L984-Q1033 VanDerWaalsContact CG-NE2 3.34Å; Q1033-A1035 WeakPolarHBondContact CG-O 3.23Å; Q1033-A1035 PolarHBondContact O-N 2.96Å; Q1033-A1037 HydrophobicContact CG-CB 4.48Å | ||
| 1034 | P | 86.7 | Confident | 83.2 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 62% | 0.623 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -78.4 | -6.6 | 179.6 | 29.6 | -38.4 | 0 | 0 | 0 | 116.1 | F962 L1032 | F962-P1034 WeakPolarHBondContact CE2-O 2.98Å; F962-P1034 WeakPolarHBondContact CZ-O 3.33Å; L1032-P1034 WeakPolarHBondContact O-CD 3.22Å |
| 1035 | A | 82.1 | Confident | 81.9 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -143.3 | 163.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1033 A1037 | Q1033-A1035 WeakPolarHBondContact CG-O 3.23Å; Q1033-A1035 PolarHBondContact O-N 2.96Å; A1035-A1037 PolarHBondContact O-N 2.97Å; A1035-A1037 VanDerWaalsContact O-N 3.17Å |
| 1036 | Y | 75.3 | Confident | 80.7 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 17% | 0.165 | 41% | 0.413 | C | S | . | . | trans | -57.9 | 117.9 | -175.2 | -176.6 | -90.7 | 0 | 0 | 0 | 113.7 | Y963 F1038 A1054 | Y963-Y1036 AromaticContact CD2-CE2 3.97Å; Y963-Y1036 HydrophobicContact CD2-CE2 3.97Å; Y963-Y1036 HydrophobicContact CE1-CE2 4.4Å; Y963-Y1036 HydrophobicContact CE2-CD2 4.26Å; Y963-Y1036 HydrophobicContact CE2-CE1 4.35Å; Y963-Y1036 AromaticContact CE2-CE2 3.33Å; Y963-Y1036 HydrophobicContact CE2-CE2 3.33Å; Y963-Y1036 AromaticContact CE2-CZ 3.4Å; Y963-Y1036 VanDerWaalsContact CE2-CZ 3.4Å; Y963-Y1036 VanDerWaalsContact CE2-OH 3.3Å; Y963-Y1036 WeakPolarHBondContact CE2-OH 3.36Å; Y963-Y1036 AromaticContact CZ-CE2 3.55Å; Y963-Y1036 AromaticContact CZ-CZ 3.95Å; Y963-Y1036 PolarHBondContact OH-OH 2.87Å; Y1036-F1038 HydrophobicContact CD1-CD1 4.03Å; Y1036-F1038 HydrophobicContact CD1-CD2 4.18Å; Y1036-F1038 AromaticContact CD1-CE1 3.87Å; Y1036-F1038 HydrophobicContact CD1-CE1 3.87Å; Y1036-F1038 HydrophobicContact CD1-CE2 4.03Å; Y1036-F1038 HydrophobicContact CD1-CG 4.18Å; Y1036-F1038 AromaticContact CD1-CZ 3.86Å; Y1036-F1038 HydrophobicContact CD1-CZ 3.86Å; Y1036-F1038 AromaticContact CE1-CD1 3.67Å; Y1036-F1038 HydrophobicContact CE1-CD1 3.67Å; Y1036-F1038 AromaticContact CE1-CE1 3.66Å; Y1036-F1038 HydrophobicContact CE1-CE1 3.66Å; Y1036-F1038 HydrophobicContact CE1-CG 4.17Å; Y1036-F1038 HydrophobicContact CE1-CZ 4.15Å; Y1036-F1038 PolarHBondContact O-N 3.18Å; Y1036-A1054 HydrophobicContact CE2-CB 3.69Å; Y1036-A1054 PolarHBondContact OH-N 3.21Å | ||
| 1037 | A | 75.1 | Confident | 80.1 | Confident | 7 Ų | 7 | 81 Ų | 81 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | trans | -85.1 | 110.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F962 L984 Q1033 A1035 F1040 | F962-A1037 PolarHBondContact O-N 3.15Å; F962-A1037 VanDerWaalsContact O-N 3.16Å; L984-A1037 HydrophobicContact CD2-CB 4.16Å; Q1033-A1037 HydrophobicContact CG-CB 4.48Å; A1035-A1037 PolarHBondContact O-N 2.97Å; A1035-A1037 VanDerWaalsContact O-N 3.17Å; A1037-F1040 HydrophobicContact CB-CE1 3.88Å; A1037-F1040 HydrophobicContact CB-CE2 3.9Å; A1037-F1040 HydrophobicContact CB-CZ 3.41Å; A1037-F1040 VanDerWaalsContact CB-CZ 3.41Å | ||
| 1038 | F | 70.4 | Confident | 79.8 | Confident | 164 Ų | 164 | 75.5 Ų | 75.5 | 72% | 0.719 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -74.3 | -25.9 | 176.2 | -68.5 | -82.3 | 0 | 0 | 0 | 114.5 | Y1036 V1057 | Y1036-F1038 HydrophobicContact CD1-CD1 4.03Å; Y1036-F1038 HydrophobicContact CD1-CD2 4.18Å; Y1036-F1038 AromaticContact CD1-CE1 3.87Å; Y1036-F1038 HydrophobicContact CD1-CE1 3.87Å; Y1036-F1038 HydrophobicContact CD1-CE2 4.03Å; Y1036-F1038 HydrophobicContact CD1-CG 4.18Å; Y1036-F1038 AromaticContact CD1-CZ 3.86Å; Y1036-F1038 HydrophobicContact CD1-CZ 3.86Å; Y1036-F1038 AromaticContact CE1-CD1 3.67Å; Y1036-F1038 HydrophobicContact CE1-CD1 3.67Å; Y1036-F1038 AromaticContact CE1-CE1 3.66Å; Y1036-F1038 HydrophobicContact CE1-CE1 3.66Å; Y1036-F1038 HydrophobicContact CE1-CG 4.17Å; Y1036-F1038 HydrophobicContact CE1-CZ 4.15Å; Y1036-F1038 PolarHBondContact O-N 3.18Å; F1038-V1057 HydrophobicContact CZ-CG2 4.46Å |
| 1039 | R | 76.5 | Confident | 79.7 | Confident | 204 Ų | 204 | 74.1 Ų | 74.1 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | trans | -160 | 136.9 | -178.1 | -177.2 | -176.9 | -66.9 | 178.1 | -1.8 | 109.1 | ||||
| 1040 | F | 81.7 | Confident | 79.3 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 17% | 0.171 | 37% | 0.373 | C | S | . | . | trans | -96.3 | 152.9 | 169 | -66.9 | -81.6 | 0 | 0 | 0 | 111.1 | Y963 F965 N981 L983 V986 A1037 D1042 | Y963-F1040 WeakPolarHBondContact O-CZ 3.39Å; F965-F1040 HydrophobicContact CD1-CE2 4.3Å; F965-F1040 HydrophobicContact CD1-CZ 4.31Å; F965-F1040 HydrophobicContact CE1-CD2 4.28Å; F965-F1040 HydrophobicContact CE1-CE2 4.24Å; F965-F1040 HydrophobicContact CE1-CG 4.47Å; F965-F1040 HydrophobicContact CE1-CZ 4.38Å; N981-F1040 HydrophobicContact CB-CD1 4.1Å; N981-F1040 HydrophobicContact CB-CE1 3.74Å; N981-F1040 HydrophobicContact CB-CZ 4.48Å; L983-F1040 WeakPolarHBondContact O-CE1 3.11Å; V986-F1040 HydrophobicContact CG2-CB 3.85Å; V986-F1040 HydrophobicContact CG2-CG 4.34Å; A1037-F1040 HydrophobicContact CB-CE1 3.88Å; A1037-F1040 HydrophobicContact CB-CE2 3.9Å; A1037-F1040 HydrophobicContact CB-CZ 3.41Å; A1037-F1040 VanDerWaalsContact CB-CZ 3.41Å; F1040-D1042 PolarHBondContact O-N 3.45Å | ||
| 1041 | N | 81.5 | Confident | 78.4 | Confident | 112 Ų | 112 | 71.4 Ų | 71.4 | 60% | 0.599 | 38% | 0.375 | S | S | * | . | B | Isolated β-bridge | trans | -82.4 | 88.6 | 166.5 | -71.2 | -13 | 0 | 0 | 0 | 107.7 | L984 V986 | L984-N1041 PolarHBondContact O-N 2.86Å; V986-N1041 PolarHBondContact N-O 2.88Å |
| 1042 | D | 78 | Confident | 77.5 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 15% | 0.15 | 37% | 0.367 | C | S | . | . | trans | -123.6 | 114.8 | -175.4 | -172 | 1.3 | 0 | 0 | 0 | 110.9 | V986 F1040 E1044 S1045 T1048 | V986-D1042 HydrophobicContact CB-CB 4.1Å; V986-D1042 HydrophobicContact CG2-CB 3.63Å; F1040-D1042 PolarHBondContact O-N 3.45Å; D1042-E1044 VanDerWaalsContact C-N 3.33Å; D1042-E1044 PolarHBondContact OD1-N 2.9Å; D1042-S1045 WeakPolarHBondContact OD2-CA 3.42Å; D1042-T1048 WeakPolarHBondContact OD2-CB 3.26Å; D1042-T1048 PolarHBondContact OD2-OG1 2.99Å | ||
| 1043 | P | 63.8 | Low | 76.3 | Confident | 116 Ų | 116 | 77.6 Ų | 77.6 | 75% | 0.753 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -24.5 | 174 | 29.9 | -33.2 | 0 | 0 | 0 | 113.1 | ||
| 1044 | E | 66.5 | Low | 74.8 | Confident | 89 Ų | 89 | 77.5 Ų | 77.5 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 30.2 | -174 | -64.2 | -66 | 170.6 | 0 | 0 | 112.1 | D1042 L1046 L1047 T1048 | D1042-E1044 VanDerWaalsContact C-N 3.33Å; D1042-E1044 PolarHBondContact OD1-N 2.9Å; E1044-L1046 PolarHBondContact O-N 3.41Å; E1044-L1047 PolarHBondContact O-N 3.06Å; E1044-T1048 PolarHBondContact O-N 2.77Å |
| 1045 | S | 67.8 | Low | 73.2 | Confident | 62 Ų | 62 | 79.3 Ų | 79.3 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -7.4 | -168.8 | -179.3 | 0 | 0 | 0 | 0 | 116.8 | D1042 | D1042-S1045 WeakPolarHBondContact OD2-CA 3.42Š|
| 1046 | L | 68.3 | Low | 71.9 | Confident | 151 Ų | 151 | 81.5 Ų | 81.5 | 79% | 0.791 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -28.1 | 173.1 | -71.8 | 169.8 | 0 | 0 | 0 | 112.7 | E1044 G1090 | E1044-L1046 PolarHBondContact O-N 3.41Å; L1046-G1090 WeakPolarHBondContact O-CA 3.4Å; L1046-G1090 PolarHBondContact O-N 3.13Å |
| 1047 | L | 80.5 | Confident | 70.9 | Confident | 48 Ų | 48 | 84.2 Ų | 84.2 | 25% | 0.251 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -33 | 179.2 | -62.3 | 178.2 | 0 | 0 | 0 | 111.7 | Q967 L971 E1044 V1049 T1089 I1091 | Q967-L1047 PolarHBondContact NE2-O 3.03Å; L971-L1047 HydrophobicContact CD2-CD1 4.42Å; E1044-L1047 PolarHBondContact O-N 3.06Å; L1047-V1049 PolarHBondContact O-N 2.82Å; L1047-T1089 PolarHBondContact O-OG1 2.03Å; L1047-I1091 HydrophobicContact CB-CD1 4.36Å; L1047-I1091 HydrophobicContact CB-CG1 4.39Å; L1047-I1091 HydrophobicContact CD2-CG1 4.03Å; L1047-I1091 WeakPolarHBondContact O-CD1 3.4Å |
| 1048 | T | 84 | Confident | 69.8 | Low | 12 Ų | 12 | 85.9 Ų | 85.9 | 7% | 0.074 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -64.9 | 132.7 | 174.4 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | F965 D1042 E1044 I1050 | F965-T1048 HydrophobicContact CE1-CG2 4.31Å; F965-T1048 HydrophobicContact CE2-CG2 3.79Å; F965-T1048 HydrophobicContact CZ-CG2 3.53Å; D1042-T1048 WeakPolarHBondContact OD2-CB 3.26Å; D1042-T1048 PolarHBondContact OD2-OG1 2.99Å; E1044-T1048 PolarHBondContact O-N 2.77Å; T1048-I1050 PolarHBondContact O-N 2.77Å |
| 1049 | V | 85.9 | Confident | 69 | Low | 3 Ų | 3 | 86.1 Ų | 86.1 | 2% | 0.018 | 46% | 0.458 | C | S | . | . | trans | -66.3 | 121.4 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | L954 Y957 L1047 P1051 L1072 Y1087 T1089 | L954-V1049 HydrophobicContact CD1-CG2 4.33Å; L954-V1049 HydrophobicContact CD2-CG2 4.04Å; Y957-V1049 HydrophobicContact CD1-CG1 4.04Å; Y957-V1049 HydrophobicContact CD2-CB 3.81Å; Y957-V1049 HydrophobicContact CD2-CG1 4.16Å; Y957-V1049 HydrophobicContact CD2-CG2 3.98Å; Y957-V1049 HydrophobicContact CE1-CB 4.32Å; Y957-V1049 HydrophobicContact CE1-CG1 3.64Å; Y957-V1049 HydrophobicContact CE2-CB 3.55Å; Y957-V1049 HydrophobicContact CE2-CG1 3.8Å; Y957-V1049 HydrophobicContact CE2-CG2 4.25Å; Y957-V1049 HydrophobicContact CG-CB 4.3Å; Y957-V1049 HydrophobicContact CG-CG1 4.26Å; Y957-V1049 HydrophobicContact CG-CG2 4.26Å; L1047-V1049 PolarHBondContact O-N 2.82Å; V1049-P1051 WeakPolarHBondContact O-CD 3.28Å; V1049-L1072 HydrophobicContact CB-CD1 4.22Å; V1049-L1072 HydrophobicContact CG1-CD1 3.46Å; V1049-L1072 VanDerWaalsContact CG1-CD1 3.46Å; V1049-L1072 HydrophobicContact CG2-CD1 3.62Å; V1049-Y1087 HydrophobicContact CG1-CD1 3.94Å; V1049-T1089 HydrophobicContact CG2-CG2 4.3Å | ||
| 1050 | I | 78.9 | Confident | 68 | Low | 80 Ų | 80 | 81.9 Ų | 81.9 | 41% | 0.41 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 114.4 | 173.3 | -53.5 | 175.6 | 0 | 0 | 0 | 108.3 | T1048 L1088 | T1048-I1050 PolarHBondContact O-N 2.77Å; I1050-L1088 HydrophobicContact CB-CB 4.26Å; I1050-L1088 PolarHBondContact N-O 2.76Å; I1050-L1088 PolarHBondContact O-N 2.85Å |
| 1051 | P | 72.3 | Confident | 67 | Low | 25 Ų | 25 | 83.2 Ų | 83.2 | 16% | 0.162 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 156.5 | 178 | 28.3 | -34.2 | 0 | 0 | 0 | 112 | Y963 V1049 Y1087 | Y963-P1051 HydrophobicContact CD1-CB 4.04Å; Y963-P1051 HydrophobicContact CD1-CG 3.82Å; Y963-P1051 HydrophobicContact CD2-CG 3.65Å; Y963-P1051 HydrophobicContact CE1-CB 3.83Å; Y963-P1051 HydrophobicContact CE1-CG 3.94Å; Y963-P1051 HydrophobicContact CE2-CB 4.34Å; Y963-P1051 HydrophobicContact CE2-CG 3.75Å; Y963-P1051 HydrophobicContact CG-CB 4.42Å; Y963-P1051 HydrophobicContact CG-CG 3.69Å; V1049-P1051 WeakPolarHBondContact O-CD 3.28Å; P1051-Y1087 HydrophobicContact CB-CD1 4.3Å; P1051-Y1087 HydrophobicContact CB-CE1 4.11Å |
| 1052 | P | 72 | Confident | 66.3 | Low | 37 Ų | 37 | 86.7 Ų | 86.7 | 24% | 0.24 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 142.3 | 171.7 | 28.8 | -38.7 | 0 | 0 | 0 | 110 | Y963 A1054 A1085 Y1087 | Y963-P1052 PolarHBondContact OH-O 2.66Å; P1052-A1054 PolarHBondContact O-N 2.96Å; P1052-A1085 HydrophobicContact CG-CB 3.95Å; P1052-Y1087 VanDerWaalsContact CD-CE1 3.46Å; P1052-Y1087 HydrophobicContact CG-CE1 4.46Å; P1052-Y1087 HydrophobicContact CG-CE2 4.34Å |
| 1053 | R | 66 | Low | 66 | Low | 231 Ų | 231 | 94.3 Ų | 94.3 | 87% | 0.872 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 121.4 | 174.2 | -169.5 | 178.3 | -67.8 | -164.7 | -0.1 | 109.7 | ||
| 1054 | A | 56.8 | Low | 66.8 | Low | 29 Ų | 29 | 92.5 Ų | 92.5 | 24% | 0.24 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 135.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y963 Y1036 P1052 V1056 | Y963-A1054 PolarHBondContact OH-N 3.2Å; Y1036-A1054 HydrophobicContact CE2-CB 3.69Å; Y1036-A1054 PolarHBondContact OH-N 3.21Å; P1052-A1054 PolarHBondContact O-N 2.96Å; A1054-V1056 VanDerWaalsContact C-N 3.25Å; A1054-V1056 PolarHBondContact O-N 2.9Å |
| 1055 | P | 54.4 | Low | 67.7 | Low | 135 Ų | 135 | 89.4 Ų | 89.4 | 88% | 0.877 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -72.1 | -18.6 | -177 | 28.2 | -34.8 | 0 | 0 | 0 | 113.4 | ||
| 1056 | V | 54.8 | Low | 68.6 | Low | 97 Ų | 97 | 87.4 Ų | 87.4 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | trans | -141.8 | 126.4 | 178.5 | -171.2 | 0 | 0 | 0 | 0 | 108.8 | A1054 S1058 | A1054-V1056 VanDerWaalsContact C-N 3.25Å; A1054-V1056 PolarHBondContact O-N 2.9Å; V1056-S1058 PolarHBondContact O-N 3.34Å | ||
| 1057 | V | 53.8 | Low | 69.7 | Low | 99 Ų | 99 | 80.2 Ų | 80.2 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | trans | -89.9 | 93.1 | 165.9 | -171.3 | 0 | 0 | 0 | 0 | 106.4 | F1038 | F1038-V1057 HydrophobicContact CZ-CG2 4.46Š| ||
| 1058 | S | 51.5 | Low | 70.2 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 30% | 0.301 | 41% | 0.41 | S | S | . | . | trans | -135.7 | 134.1 | 177.9 | -178 | 0 | 0 | 0 | 0 | 110.4 | V1056 T1060 V1061 | V1056-S1058 PolarHBondContact O-N 3.34Å; S1058-T1060 PolarHBondContact O-N 3.09Å; S1058-T1060 WeakPolarHBondContact OG-CG2 3.34Å; S1058-T1060 PolarHBondContact OG-N 3.16Å; S1058-T1060 PolarHBondContact OG-OG1 3.43Å; S1058-V1061 WeakPolarHBondContact O-CG2 3.46Å; S1058-V1061 PolarHBondContact O-N 2.73Å | ||
| 1059 | D | 54.7 | Low | 70.6 | Confident | 168 Ų | 168 | 78 Ų | 78 | 90% | 0.898 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -5.6 | 173.1 | -57.8 | -36.7 | 0 | 0 | 0 | 112.4 | V1061 | D1059-V1061 VanDerWaalsContact C-N 3.33Š|
| 1060 | T | 55.6 | Low | 70.7 | Confident | 116 Ų | 116 | 77.8 Ų | 77.8 | 71% | 0.712 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 5.3 | 173.8 | 72.4 | 0 | 0 | 0 | 0 | 114.2 | S1058 F1062 | S1058-T1060 PolarHBondContact O-N 3.09Å; S1058-T1060 WeakPolarHBondContact OG-CG2 3.34Å; S1058-T1060 PolarHBondContact OG-N 3.16Å; S1058-T1060 PolarHBondContact OG-OG1 3.43Å; T1060-F1062 PolarHBondContact O-N 2.72Å |
| 1061 | V | 60 | Low | 71 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -70.9 | 122.7 | 174.6 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | Q961 S1058 D1059 K1063 Y1064 | Q961-V1061 HydrophobicContact CB-CG1 3.87Å; S1058-V1061 WeakPolarHBondContact O-CG2 3.46Å; S1058-V1061 PolarHBondContact O-N 2.73Å; D1059-V1061 VanDerWaalsContact C-N 3.33Å; V1061-K1063 PolarHBondContact O-N 2.88Å; V1061-Y1064 HydrophobicContact CG1-CD1 4.32Å; V1061-Y1064 HydrophobicContact CG1-CE1 3.99Å |
| 1062 | F | 65.8 | Low | 71.7 | Confident | 186 Ų | 186 | 73.3 Ų | 73.3 | 82% | 0.816 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -56 | 136.6 | 174.3 | -66.6 | -81.5 | 0 | 0 | 0 | 110.6 | T1060 Y1064 | T1060-F1062 PolarHBondContact O-N 2.72Å; F1062-Y1064 WeakPolarHBondContact O-CD1 3.13Å; F1062-Y1064 PolarHBondContact O-N 3.16Å |
| 1063 | K | 73.7 | Confident | 72 | Confident | 187 Ų | 187 | 71.9 Ų | 71.9 | 81% | 0.813 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 128.9 | 174.8 | -64.7 | -178.1 | -179.6 | -178.7 | 0 | 109.3 | V1061 | V1061-K1063 PolarHBondContact O-N 2.88Š|
| 1064 | Y | 80 | Confident | 72 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | trans | -142.6 | 160.8 | 178.4 | 67.8 | -105.6 | 0 | 0 | 0 | 110.3 | H959 D960 Q961 V1061 F1062 L1066 | H959-Y1064 AromaticContact CE1-CE2 3.85Å; D960-Y1064 VanDerWaalsContact CA-O 3.26Å; D960-Y1064 WeakPolarHBondContact CA-O 3.29Å; D960-Y1064 VanDerWaalsContact CB-O 3.32Å; D960-Y1064 WeakPolarHBondContact CB-O 3.28Å; Q961-Y1064 HydrophobicContact CB-CD1 3.95Å; Q961-Y1064 HydrophobicContact CB-CE1 3.57Å; Q961-Y1064 PolarHBondContact OE1-O 3.17Å; V1061-Y1064 HydrophobicContact CG1-CD1 4.32Å; V1061-Y1064 HydrophobicContact CG1-CE1 3.99Å; F1062-Y1064 WeakPolarHBondContact O-CD1 3.13Å; F1062-Y1064 PolarHBondContact O-N 3.16Å; Y1064-L1066 HydrophobicContact CD2-CD1 4.25Å; Y1064-L1066 HydrophobicContact CD2-CG 3.72Å; Y1064-L1066 HydrophobicContact CE2-CD1 3.84Å; Y1064-L1066 HydrophobicContact CE2-CG 3.78Å | ||
| 1065 | T | 85 | Confident | 72.1 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 14% | 0.141 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 113.4 | 162.9 | -60.3 | 0 | 0 | 0 | 0 | 107.7 | N936 A937 L938 A958 H959 | N936-T1065 PolarHBondContact OD1-OG1 3.35Å; A937-T1065 HydrophobicContact CB-CG2 4.47Å; L938-T1065 HydrophobicContact CG-CG2 4.38Å; A958-T1065 HydrophobicContact CB-CG2 4.45Å; H959-T1065 CarbonylContact O-C 3.59Å; H959-T1065 WeakPolarHBondContact O-CA 3.46Å |
| 1066 | L | 87 | Confident | 71.8 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.3 | 175.1 | -67.8 | 175.8 | 0 | 0 | 0 | 108.2 | R931 A958 H959 Y1064 Y1068 | R931-L1066 HydrophobicContact CB-CD2 4.12Å; R931-L1066 HydrophobicContact CG-CD2 3.58Å; A958-L1066 CarbonylContact C-O 3.55Å; A958-L1066 WeakPolarHBondContact CA-O 3.47Å; A958-L1066 WeakPolarHBondContact CB-O 3.11Å; H959-L1066 PolarHBondContact N-O 3.25Å; H959-L1066 PolarHBondContact O-N 2.61Å; Y1064-L1066 HydrophobicContact CD2-CD1 4.25Å; Y1064-L1066 HydrophobicContact CD2-CG 3.72Å; Y1064-L1066 HydrophobicContact CE2-CD1 3.84Å; Y1064-L1066 HydrophobicContact CE2-CG 3.78Å; L1066-Y1068 HydrophobicContact CB-CD2 4.46Å; L1066-Y1068 HydrophobicContact CB-CE2 3.87Å; L1066-Y1068 HydrophobicContact CD1-CE2 4.36Å |
| 1067 | L | 91.3 | Very high | 71.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.9 | 173.1 | 166.8 | 61.3 | 0 | 0 | 0 | 109.5 | T929 I930 L933 L956 A958 I1069 L1101 V1103 | T929-L1067 CarbonylContact C-O 3.46Å; T929-L1067 WeakPolarHBondContact CA-O 3.48Å; I930-L1067 HydrophobicContact CB-CB 4.29Å; I930-L1067 HydrophobicContact CD1-CD2 3.79Å; I930-L1067 HydrophobicContact CD1-CG 4.13Å; I930-L1067 PolarHBondContact N-O 2.9Å; I930-L1067 PolarHBondContact O-N 2.85Å; L933-L1067 HydrophobicContact CD1-CB 4.12Å; L933-L1067 HydrophobicContact CD1-CD2 3.85Å; L933-L1067 HydrophobicContact CD2-CD2 4.49Å; L956-L1067 HydrophobicContact CD1-CD1 3.65Å; L956-L1067 HydrophobicContact CD2-CD1 3.92Å; L956-L1067 HydrophobicContact CG-CD1 3.54Å; A958-L1067 HydrophobicContact CB-CB 4.12Å; A958-L1067 HydrophobicContact CB-CD1 3.92Å; L1067-I1069 HydrophobicContact CD1-CG1 4.16Å; L1067-I1069 HydrophobicContact CD2-CD1 4.36Å; L1067-I1069 HydrophobicContact CG-CD1 4.34Å; L1067-I1069 HydrophobicContact CG-CG1 4.18Å; L1067-L1101 HydrophobicContact CD2-CD2 4.16Å; L1067-V1103 HydrophobicContact CD2-CG2 4.23Å |
| 1068 | Y | 91.2 | Very high | 70.8 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.7 | 175.7 | -68.2 | -88.6 | 0 | 0 | 0 | 110.7 | Y927 L928 T929 L956 Y957 L1066 L1072 P1073 Y1087 | Y927-Y1068 HydrophobicContact CD2-CD1 4.06Å; Y927-Y1068 HydrophobicContact CD2-CE1 4.38Å; Y927-Y1068 HydrophobicContact CE2-CD1 4.41Å; Y927-Y1068 HydrophobicContact CE2-CE1 4.27Å; L928-Y1068 WeakPolarHBondContact O-CA 3.44Å; T929-Y1068 HydrophobicContact CG2-CD1 4.13Å; T929-Y1068 HydrophobicContact CG2-CE1 3.72Å; T929-Y1068 WeakPolarHBondContact OG1-CD1 3.45Å; T929-Y1068 WeakPolarHBondContact OG1-CE1 3.48Å; L956-Y1068 WeakPolarHBondContact CA-O 3.38Å; Y957-Y1068 HydrophobicContact CD1-CD2 4.17Å; Y957-Y1068 PolarHBondContact N-O 3.04Å; Y957-Y1068 WeakPolarHBondContact O-CA 3.22Å; Y957-Y1068 WeakPolarHBondContact O-CB 3.34Å; Y957-Y1068 PolarHBondContact O-N 3.07Å; L1066-Y1068 HydrophobicContact CB-CD2 4.46Å; L1066-Y1068 HydrophobicContact CB-CE2 3.87Å; L1066-Y1068 HydrophobicContact CD1-CE2 4.36Å; Y1068-L1072 HydrophobicContact CD1-CD2 3.94Å; Y1068-L1072 HydrophobicContact CD2-CD2 3.86Å; Y1068-L1072 HydrophobicContact CE2-CD2 4.45Å; Y1068-L1072 HydrophobicContact CG-CD2 3.57Å; Y1068-P1073 HydrophobicContact CE1-CG 4.2Å; Y1068-Y1087 HydrophobicContact CE2-CE1 4.38Å; Y1068-Y1087 HydrophobicContact CE2-CE2 4.2Å; Y1068-Y1087 AromaticContact CE2-CZ 3.76Å; Y1068-Y1087 WeakPolarHBondContact CE2-OH 3.34Å; Y1068-Y1087 AromaticContact CZ-CE2 3.88Å; Y1068-Y1087 AromaticContact CZ-CZ 3.89Å; Y1068-Y1087 PolarHBondContact OH-OH 2.72Å |
| 1069 | I | 91.9 | Very high | 70.4 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.7 | -175.1 | -52 | -178.3 | 0 | 0 | 0 | 109.6 | F920 Y927 L928 I930 L1067 G1071 M1098 L1101 L1110 | F920-I1069 VanDerWaalsContact CE1-O 3.26Å; F920-I1069 WeakPolarHBondContact CE1-O 3.01Å; F920-I1069 HydrophobicContact CE2-CG2 4.15Å; F920-I1069 HydrophobicContact CZ-CB 4.25Å; F920-I1069 HydrophobicContact CZ-CG2 3.74Å; Y927-I1069 WeakPolarHBondContact CA-O 3.37Å; L928-I1069 HydrophobicContact CB-CB 4.32Å; L928-I1069 PolarHBondContact N-O 3.06Å; L928-I1069 PolarHBondContact O-N 3.49Å; L928-I1069 VanDerWaalsContact O-N 3.15Å; I930-I1069 HydrophobicContact CD1-CD1 3.72Å; L1067-I1069 HydrophobicContact CD1-CG1 4.16Å; L1067-I1069 HydrophobicContact CD2-CD1 4.36Å; L1067-I1069 HydrophobicContact CG-CD1 4.34Å; L1067-I1069 HydrophobicContact CG-CG1 4.18Å; I1069-G1071 PolarHBondContact O-N 3.23Å; I1069-M1098 HydrophobicContact CG2-CE 4.41Å; I1069-M1098 HydrophobicContact CG2-SD 3.35Å; I1069-M1098 WeakPolarHBondContact CG2-SD 3.29Å; I1069-L1101 HydrophobicContact CD1-CD1 4.39Å; I1069-L1101 HydrophobicContact CD1-CD2 3.31Å; I1069-L1101 HydrophobicContact CD1-CG 4.43Å; I1069-L1110 HydrophobicContact CD1-CD2 3.93Å |
| 1070 | G | 87.3 | Confident | 70 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 74.6 | -19.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L954 L955 F1094 | L954-G1070 CarbonylContact O-C 3.6Å; L955-G1070 PolarHBondContact O-N 2.62Å; G1070-F1094 WeakPolarHBondContact O-CB 3.39Å; G1070-F1094 PolarHBondContact O-N 2.96Å |
| 1071 | G | 87.1 | Confident | 69.5 | Low | 2 Ų | 2 | 77.9 Ų | 77.9 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | trans | 174.3 | -169.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y927 I1069 | Y927-G1071 WeakPolarHBondContact CB-O 3.2Å; I1069-G1071 PolarHBondContact O-N 3.23Å | ||
| 1072 | L | 86 | Confident | 68.5 | Low | 9 Ų | 9 | 81.9 Ų | 81.9 | 5% | 0.047 | 39% | 0.392 | C | S | . | . | trans | -134.9 | 155.1 | -180 | -68.4 | 165.3 | 0 | 0 | 0 | 110.5 | L954 Y957 V1049 Y1068 S1074 Y1087 T1089 K1093 | L954-L1072 HydrophobicContact CD2-CD1 3.41Å; L954-L1072 VanDerWaalsContact CD2-CD1 3.41Å; L954-L1072 HydrophobicContact CD2-CG 3.62Å; Y957-L1072 HydrophobicContact CD1-CD2 3.83Å; Y957-L1072 HydrophobicContact CG-CD2 4.49Å; V1049-L1072 HydrophobicContact CB-CD1 4.22Å; V1049-L1072 HydrophobicContact CG1-CD1 3.46Å; V1049-L1072 VanDerWaalsContact CG1-CD1 3.46Å; V1049-L1072 HydrophobicContact CG2-CD1 3.62Å; Y1068-L1072 HydrophobicContact CD1-CD2 3.94Å; Y1068-L1072 HydrophobicContact CD2-CD2 3.86Å; Y1068-L1072 HydrophobicContact CE2-CD2 4.45Å; Y1068-L1072 HydrophobicContact CG-CD2 3.57Å; L1072-S1074 PolarHBondContact O-N 2.8Å; L1072-S1074 VanDerWaalsContact O-N 3.15Å; L1072-Y1087 HydrophobicContact CB-CG 4.47Å; L1072-Y1087 HydrophobicContact CD1-CG 4.36Å; L1072-Y1087 HydrophobicContact CD2-CD1 4.23Å; L1072-Y1087 HydrophobicContact CD2-CD2 4.38Å; L1072-Y1087 HydrophobicContact CD2-CG 4.11Å; L1072-T1089 HydrophobicContact CD1-CG2 4.22Å; L1072-K1093 WeakPolarHBondContact O-CE 3.31Å | ||
| 1073 | P | 78.2 | Confident | 67.6 | Low | 6 Ų | 6 | 85.3 Ų | 85.3 | 4% | 0.039 | 40% | 0.4 | C | S | . | . | trans | -66.8 | 112.5 | 169.1 | 22.4 | -26.3 | 0 | 0 | 0 | 110.5 | Y927 Y1068 A1085 V1086 Y1087 | Y927-P1073 HydrophobicContact CE1-CB 3.97Å; Y927-P1073 HydrophobicContact CE2-CG 4.36Å; Y1068-P1073 HydrophobicContact CE1-CG 4.2Å; P1073-A1085 WeakPolarHBondContact CB-O 2.94Å; P1073-A1085 WeakPolarHBondContact CG-O 3.4Å; P1073-V1086 WeakPolarHBondContact O-CA 2.92Å; P1073-Y1087 HydrophobicContact CG-CD2 3.82Å; P1073-Y1087 HydrophobicContact CG-CE2 3.99Å; P1073-Y1087 PolarHBondContact O-N 3.31Å; P1073-Y1087 VanDerWaalsContact O-N 3.1Å | ||
| 1074 | S | 66.4 | Low | 66.7 | Low | 63 Ų | 63 | 80.1 Ų | 80.1 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | trans | -109.3 | -10.5 | -176.2 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | L1072 | L1072-S1074 PolarHBondContact O-N 2.8Å; L1072-S1074 VanDerWaalsContact O-N 3.15Å | ||
| 1075 | M | 57.6 | Low | 66.1 | Low | 128 Ų | 128 | 78.2 Ų | 78.2 | 63% | 0.631 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -123.8 | 128 | -176.5 | -83 | -84.6 | -80.5 | 0 | 0 | 110.7 | S1077 | M1075-S1077 PolarHBondContact O-N 3Š|
| 1076 | S | 49.4 | Very low | 65.4 | Low | 84 Ų | 84 | 79.5 Ų | 79.5 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | trans | -73.4 | 107.6 | 166.7 | 66 | 0 | 0 | 0 | 0 | 109.1 | R1078 | S1076-R1078 PolarHBondContact O-N 3.39Š| ||
| 1077 | S | 43.8 | Very low | 65.2 | Low | 56 Ų | 56 | 79.2 Ų | 79.2 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | trans | -55.4 | 127.6 | 171.1 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | M1075 T1079 | M1075-S1077 PolarHBondContact O-N 3Å; S1077-T1079 PolarHBondContact O-N 3.28Å; S1077-T1079 VanDerWaalsContact O-N 3.17Å; S1077-T1079 PolarHBondContact OG-OG1 3.02Å | ||
| 1078 | R | 43.5 | Very low | 64.7 | Low | 249 Ų | 249 | 84.4 Ų | 84.4 | 94% | 0.94 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -71.5 | -0.8 | 177.2 | -80.1 | -170.9 | 175.5 | -170.9 | 1.3 | 113.2 | S1076 R1080 | S1076-R1078 PolarHBondContact O-N 3.39Å; R1078-R1080 PolarHBondContact O-N 3.17Å |
| 1079 | T | 42.9 | Very low | 64.4 | Low | 79 Ų | 79 | 86.4 Ų | 86.4 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | trans | -68 | 121.7 | 172.8 | 59.1 | 0 | 0 | 0 | 0 | 109.5 | S1077 T1081 | S1077-T1079 PolarHBondContact O-N 3.28Å; S1077-T1079 VanDerWaalsContact O-N 3.17Å; S1077-T1079 PolarHBondContact OG-OG1 3.02Å; T1079-T1081 PolarHBondContact O-N 3.31Å | ||
| 1080 | R | 46.4 | Very low | 64 | Low | 258 Ų | 258 | 88.8 Ų | 88.8 | 97% | 0.974 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.1 | -172.5 | -84 | -168.7 | 174.4 | -166.5 | 0.5 | 114.8 | R1078 | R1078-R1080 PolarHBondContact O-N 3.17Š|
| 1081 | T | 44.9 | Very low | 64 | Low | 128 Ų | 128 | 89.4 Ų | 89.4 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -10.7 | -169.4 | 47.2 | 0 | 0 | 0 | 0 | 115.1 | T1079 | T1079-T1081 PolarHBondContact O-N 3.31Š|
| 1082 | K | 39.2 | Very low | 64.1 | Low | 149 Ų | 149 | 95.1 Ų | 95.1 | 65% | 0.648 | 48% | 0.477 | S | S | * | . | trans | -135.8 | 98.3 | 173.3 | -73.7 | -174.6 | 178.4 | 178.1 | 0 | 112 | Q1084 | K1082-Q1084 PolarHBondContact O-N 3.17Š| ||
| 1083 | R | 47.1 | Very low | 64.1 | Low | 259 Ų | 259 | 96.4 Ų | 96.4 | 98% | 0.977 | 48% | 0.483 | S | S | * | . | trans | -69.5 | 93.2 | 161.9 | -74.8 | -172.5 | 179.1 | -172.2 | 0.8 | 108.8 | ||||
| 1084 | Q | 55.3 | Low | 64.7 | Low | 78 Ų | 78 | 96.2 Ų | 96.2 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | trans | -74.7 | 143.9 | 170.4 | -87.6 | 166.6 | -48.6 | 0 | 0 | 111.2 | Y927 K1082 | Y927-Q1084 PolarHBondContact OH-NE2 2.91Å; K1082-Q1084 PolarHBondContact O-N 3.17Å | ||
| 1085 | A | 65.8 | Low | 65.7 | Low | 39 Ų | 39 | 94.6 Ų | 94.6 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | trans | -61.1 | 137.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | P1052 P1073 Y1087 | P1052-A1085 HydrophobicContact CG-CB 3.95Å; P1073-A1085 WeakPolarHBondContact CB-O 2.94Å; P1073-A1085 WeakPolarHBondContact CG-O 3.4Å; A1085-Y1087 HydrophobicContact CB-CD2 4.4Å; A1085-Y1087 HydrophobicContact CB-CE2 3.76Å | ||
| 1086 | V | 71.8 | Confident | 67.1 | Low | 50 Ų | 50 | 89.1 Ų | 89.1 | 30% | 0.303 | 45% | 0.445 | S | S | . | . | trans | -113.4 | 118.5 | 173.6 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | P1073 | P1073-V1086 WeakPolarHBondContact O-CA 2.92Š| ||
| 1087 | Y | 82.9 | Confident | 68.9 | Low | 13 Ų | 13 | 86.1 Ų | 86.1 | 5% | 0.051 | 42% | 0.424 | C | S | . | . | trans | -96.1 | 149.2 | 175.5 | -65.9 | -107.9 | 0 | 0 | 0 | 109.4 | Y957 H959 V1049 P1051 P1052 Y1068 L1072 P1073 A1085 | Y957-Y1087 HydrophobicContact CE1-CD1 4.07Å; Y957-Y1087 AromaticContact CE1-CE1 3.9Å; Y957-Y1087 HydrophobicContact CE1-CE1 3.9Å; H959-Y1087 AromaticContact CD2-CE1 3.97Å; H959-Y1087 AromaticContact NE2-CE1 3.6Å; H959-Y1087 AromaticContact NE2-CZ 3.65Å; H959-Y1087 PolarHBondContact NE2-OH 3.21Å; V1049-Y1087 HydrophobicContact CG1-CD1 3.94Å; P1051-Y1087 HydrophobicContact CB-CD1 4.3Å; P1051-Y1087 HydrophobicContact CB-CE1 4.11Å; P1052-Y1087 VanDerWaalsContact CD-CE1 3.46Å; P1052-Y1087 HydrophobicContact CG-CE1 4.46Å; P1052-Y1087 HydrophobicContact CG-CE2 4.34Å; Y1068-Y1087 HydrophobicContact CE2-CE1 4.38Å; Y1068-Y1087 HydrophobicContact CE2-CE2 4.2Å; Y1068-Y1087 AromaticContact CE2-CZ 3.76Å; Y1068-Y1087 WeakPolarHBondContact CE2-OH 3.34Å; Y1068-Y1087 AromaticContact CZ-CE2 3.88Å; Y1068-Y1087 AromaticContact CZ-CZ 3.89Å; Y1068-Y1087 PolarHBondContact OH-OH 2.72Å; L1072-Y1087 HydrophobicContact CB-CG 4.47Å; L1072-Y1087 HydrophobicContact CD1-CG 4.36Å; L1072-Y1087 HydrophobicContact CD2-CD1 4.23Å; L1072-Y1087 HydrophobicContact CD2-CD2 4.38Å; L1072-Y1087 HydrophobicContact CD2-CG 4.11Å; P1073-Y1087 HydrophobicContact CG-CD2 3.82Å; P1073-Y1087 HydrophobicContact CG-CE2 3.99Å; P1073-Y1087 PolarHBondContact O-N 3.31Å; P1073-Y1087 VanDerWaalsContact O-N 3.1Å; A1085-Y1087 HydrophobicContact CB-CD2 4.4Å; A1085-Y1087 HydrophobicContact CB-CE2 3.76Å | ||
| 1088 | L | 80.5 | Confident | 71.2 | Confident | 110 Ų | 110 | 83.5 Ų | 83.5 | 58% | 0.576 | 41% | 0.405 | S | S | * | . | B | Isolated β-bridge | trans | -114.3 | 131.2 | 177.5 | -57.1 | 173.6 | 0 | 0 | 0 | 109.6 | I1050 | I1050-L1088 HydrophobicContact CB-CB 4.26Å; I1050-L1088 PolarHBondContact N-O 2.76Å; I1050-L1088 PolarHBondContact O-N 2.85Å |
| 1089 | T | 85 | Confident | 73.4 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 31% | 0.307 | 37% | 0.369 | S | S | . | . | trans | -156.7 | 149.9 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | L1047 V1049 L1072 I1091 | L1047-T1089 PolarHBondContact O-OG1 2.03Å; V1049-T1089 HydrophobicContact CG2-CG2 4.3Å; L1072-T1089 HydrophobicContact CD1-CG2 4.22Å; T1089-I1091 VanDerWaalsContact C-N 3.3Å; T1089-I1091 PolarHBondContact OG1-N 2.82Å; T1089-I1091 VanDerWaalsContact OG1-N 3.11Å | ||
| 1090 | G | 83.4 | Confident | 75.6 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 56% | 0.557 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -77.6 | -13.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1046 | L1046-G1090 WeakPolarHBondContact O-CA 3.4Å; L1046-G1090 PolarHBondContact O-N 3.13Å |
| 1091 | I | 87.4 | Confident | 77.9 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -79.6 | 134.4 | -176.9 | -53.7 | 170 | 0 | 0 | 0 | 110 | L954 H969 L1047 T1089 | L954-I1091 HydrophobicContact CB-CG2 3.99Å; H969-I1091 HydrophobicContact CB-CD1 3.87Å; H969-I1091 HydrophobicContact CB-CG2 4.35Å; H969-I1091 WeakPolarHBondContact CD2-CD1 3.31Å; L1047-I1091 HydrophobicContact CB-CD1 4.36Å; L1047-I1091 HydrophobicContact CB-CG1 4.39Å; L1047-I1091 HydrophobicContact CD2-CG1 4.03Å; L1047-I1091 WeakPolarHBondContact O-CD1 3.4Å; T1089-I1091 VanDerWaalsContact C-N 3.3Å; T1089-I1091 PolarHBondContact OG1-N 2.82Å; T1089-I1091 VanDerWaalsContact OG1-N 3.11Å |
| 1092 | K | 88.3 | Confident | 80.1 | Confident | 121 Ų | 121 | 53.5 Ų | 53.5 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 157.2 | 173.9 | -67 | 178.9 | -178.2 | 147.9 | 0 | 111.9 | E952 G953 L954 | E952-K1092 HydrophobicContact CG-CB 4.25Å; E952-K1092 HydrophobicContact CG-CD 3.87Å; E952-K1092 HydrophobicContact CG-CG 4.18Å; E952-K1092 WeakPolarHBondContact OE1-CD 3.46Å; E952-K1092 WeakPolarHBondContact OE1-CE 3.32Å; E952-K1092 IonicContact OE1-NZ 2.7Å; E952-K1092 PolarHBondContact OE1-NZ 2.86Å; G953-K1092 WeakPolarHBondContact CA-O 3.06Å; L954-K1092 PolarHBondContact N-O 3.47Å |
| 1093 | K | 86.4 | Confident | 82.6 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -65.6 | 143.9 | 166.1 | -68.1 | -179.5 | 176.1 | 176.8 | 0 | 109.8 | A923 P924 Q950 L1072 | A923-K1093 PolarHBondContact O-NZ 3.18Å; P924-K1093 VanDerWaalsContact CA-NZ 3.32Å; P924-K1093 PolarHBondContact O-NZ 2.86Å; Q950-K1093 PolarHBondContact NE2-O 3.17Å; Q950-K1093 PolarHBondContact OE1-O 3.14Å; L1072-K1093 WeakPolarHBondContact O-CE 3.31Å |
| 1094 | F | 90.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 126.1 | 174.8 | 173.3 | -94.8 | 0 | 0 | 0 | 110.2 | F920 F946 R947 T948 L954 L955 G1070 M1098 | F920-F1094 HydrophobicContact CB-CD1 4.11Å; F920-F1094 VanDerWaalsContact CB-O 3.24Å; F920-F1094 WeakPolarHBondContact CB-O 3.24Å; F920-F1094 AromaticContact CD2-CD1 3.89Å; F920-F1094 HydrophobicContact CD2-CD1 3.89Å; F920-F1094 HydrophobicContact CD2-CE1 4.03Å; F920-F1094 HydrophobicContact CG-CD1 4.22Å; F946-F1094 HydrophobicContact CB-CE2 4.29Å; F946-F1094 HydrophobicContact CB-CZ 3.93Å; F946-F1094 AromaticContact CD2-CE2 3.73Å; F946-F1094 HydrophobicContact CD2-CE2 3.73Å; F946-F1094 HydrophobicContact CD2-CZ 4.09Å; F946-F1094 HydrophobicContact CG-CE2 4.35Å; F946-F1094 HydrophobicContact CG-CZ 4.45Å; R947-F1094 WeakPolarHBondContact O-CZ 3.26Å; T948-F1094 HydrophobicContact CG2-CE2 3.82Å; L954-F1094 WeakPolarHBondContact O-CB 3.13Å; L955-F1094 HydrophobicContact CD2-CD2 3.35Å; L955-F1094 HydrophobicContact CD2-CE2 3.46Å; L955-F1094 VanDerWaalsContact CD2-CE2 3.46Å; L955-F1094 HydrophobicContact CD2-CG 4.02Å; L955-F1094 HydrophobicContact CD2-CZ 4.24Å; G1070-F1094 WeakPolarHBondContact O-CB 3.39Å; G1070-F1094 PolarHBondContact O-N 2.96Å; F1094-M1098 HydrophobicContact CB-CE 4.48Å; F1094-M1098 HydrophobicContact CD1-CE 3.49Å; F1094-M1098 VanDerWaalsContact CD1-CE 3.49Å; F1094-M1098 HydrophobicContact CD1-CG 4.37Å; F1094-M1098 HydrophobicContact CD2-CE 4.26Å; F1094-M1098 HydrophobicContact CE1-CE 3.62Å; F1094-M1098 HydrophobicContact CE1-CG 3.73Å; F1094-M1098 HydrophobicContact CE2-CE 4.33Å; F1094-M1098 HydrophobicContact CG-CE 3.83Å; F1094-M1098 HydrophobicContact CZ-CE 4.03Å; F1094-M1098 HydrophobicContact CZ-CG 4.24Å |
| 1095 | V | 86.8 | Confident | 86 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -112.8 | 130.4 | 170 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | F920 D922 T948 Q950 | F920-V1095 WeakPolarHBondContact O-CA 3.43Å; D922-V1095 HydrophobicContact CB-CG2 3.84Å; T948-V1095 WeakPolarHBondContact CB-O 2.95Å; T948-V1095 PolarHBondContact OG1-O 2.84Å; Q950-V1095 HydrophobicContact CG-CB 4.25Å; Q950-V1095 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 1096 | G | 87.7 | Confident | 87 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.9 | -155.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A919 F920 R947 | A919-G1096 CarbonylContact C-O 3.54Å; A919-G1096 WeakPolarHBondContact CA-O 3.46Å; F920-G1096 PolarHBondContact N-O 3.25Å; F920-G1096 PolarHBondContact O-N 2.88Å; R947-G1096 WeakPolarHBondContact O-CA 3.12Å |
| 1097 | C | 88.4 | Confident | 87.6 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.3 | 175.6 | -44.1 | 0 | 0 | 0 | 0 | 111.4 | V918 F946 R947 W1003 | V918-C1097 CarbonylContact O-C 3.56Å; V918-C1097 VanDerWaalsContact O-CA 3.23Å; V918-C1097 WeakPolarHBondContact O-CA 3.47Å; F946-C1097 CarbonylContact C-O 3.52Å; F946-C1097 VanDerWaalsContact CA-O 3.3Å; F946-C1097 WeakPolarHBondContact CA-O 3.27Å; R947-C1097 HydrophobicContact CG-CB 3.82Å; R947-C1097 PolarHBondContact N-O 3.25Å; R947-C1097 PolarHBondContact NE-SG 2.88Å; R947-C1097 PolarHBondContact NH2-SG 2.04Å; R947-C1097 PolarHBondContact O-N 2.8Å; W1003-C1097 HydrophobicContact CH2-CB 3.52Å; W1003-C1097 HydrophobicContact CZ2-CB 4.24Å; W1003-C1097 HydrophobicContact CZ3-CB 4.14Å; W1003-C1097 WeakPolarHBondContact CZ3-O 3.24Å |
| 1098 | M | 90.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.5 | 168.1 | -60.7 | -167.8 | 176.2 | 0 | 0 | 111.3 | D917 V918 F920 F944 S945 F946 L955 I1069 F1094 L1110 | D917-M1098 CarbonylContact C-O 3.53Å; D917-M1098 VanDerWaalsContact CA-O 3.24Å; D917-M1098 WeakPolarHBondContact CA-O 3.26Å; V918-M1098 PolarHBondContact N-O 2.71Å; V918-M1098 PolarHBondContact O-N 3.31Å; F920-M1098 HydrophobicContact CD2-CG 4.14Å; F920-M1098 HydrophobicContact CE2-CB 3.99Å; F920-M1098 HydrophobicContact CE2-CG 3.78Å; F920-M1098 HydrophobicContact CE2-SD 3.9Å; F944-M1098 HydrophobicContact CD2-SD 4.49Å; S945-M1098 CarbonylContact O-C 3.47Å; S945-M1098 VanDerWaalsContact O-CA 3.22Å; S945-M1098 WeakPolarHBondContact O-CA 3.41Å; F946-M1098 HydrophobicContact CB-CE 4.4Å; F946-M1098 HydrophobicContact CB-CG 4.04Å; L955-M1098 HydrophobicContact CB-CE 3.82Å; L955-M1098 HydrophobicContact CD2-CE 3.49Å; L955-M1098 VanDerWaalsContact CD2-CE 3.49Å; L955-M1098 HydrophobicContact CG-CE 4.28Å; L955-M1098 WeakPolarHBondContact O-CE 3.34Å; I1069-M1098 HydrophobicContact CG2-CE 4.41Å; I1069-M1098 HydrophobicContact CG2-SD 3.35Å; I1069-M1098 WeakPolarHBondContact CG2-SD 3.29Å; F1094-M1098 HydrophobicContact CB-CE 4.48Å; F1094-M1098 HydrophobicContact CD1-CE 3.49Å; F1094-M1098 VanDerWaalsContact CD1-CE 3.49Å; F1094-M1098 HydrophobicContact CD1-CG 4.37Å; F1094-M1098 HydrophobicContact CD2-CE 4.26Å; F1094-M1098 HydrophobicContact CE1-CE 3.62Å; F1094-M1098 HydrophobicContact CE1-CG 3.73Å; F1094-M1098 HydrophobicContact CE2-CE 4.33Å; F1094-M1098 HydrophobicContact CG-CE 3.83Å; F1094-M1098 HydrophobicContact CZ-CE 4.03Å; F1094-M1098 HydrophobicContact CZ-CG 4.24Å; M1098-L1110 HydrophobicContact CB-CD1 4.37Å |
| 1099 | R | 90.3 | Very high | 87.2 | Confident | 47 Ų | 47 | 38 Ų | 38 | 18% | 0.177 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 171.5 | 176.7 | 68.3 | -174.4 | -175.9 | 153.7 | -1.5 | 111.2 | N913 D917 S945 W1003 L1101 | N913-R1099 HydrophobicContact CB-CG 4.24Å; N913-R1099 WeakPolarHBondContact O-CD 3.17Å; N913-R1099 PolarHBondContact O-NH1 2.78Å; D917-R1099 HydrophobicContact CB-CB 3.82Å; S945-R1099 PolarHBondContact N-O 3.41Å; S945-R1099 PolarHBondContact O-N 2.75Å; W1003-R1099 HydrophobicContact CD2-CG 4.42Å; W1003-R1099 VanDerWaalsContact CD2-NE 3.33Å; W1003-R1099 HydrophobicContact CE3-CG 3.94Å; W1003-R1099 HydrophobicContact CH2-CB 4.06Å; W1003-R1099 HydrophobicContact CH2-CG 3.8Å; W1003-R1099 HydrophobicContact CZ2-CG 4.3Å; W1003-R1099 HydrophobicContact CZ3-CB 4.19Å; W1003-R1099 HydrophobicContact CZ3-CG 3.61Å; R1099-L1101 PolarHBondContact O-N 2.98Å |
| 1100 | G | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 64.1 | 32.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | I912 T916 V943 F944 R1102 | I912-G1100 VanDerWaalsContact CD1-O 3.23Å; I912-G1100 WeakPolarHBondContact CD1-O 3.41Å; I912-G1100 WeakPolarHBondContact O-CA 3.38Å; T916-G1100 PolarHBondContact OG1-N 3.21Å; V943-G1100 VanDerWaalsContact O-O 3.08Å; F944-G1100 WeakPolarHBondContact CA-O 3.25Å; G1100-R1102 PolarHBondContact O-N 2.91Å |
| 1101 | L | 93 | Very high | 85.6 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 123.1 | 176.3 | -175.7 | 71.5 | 0 | 0 | 0 | 111 | I930 I942 V943 F944 L956 L1067 I1069 R1099 V1108 L1110 | I930-L1101 HydrophobicContact CD1-CD2 3.82Å; I942-L1101 HydrophobicContact CG2-CD1 4.12Å; V943-L1101 CarbonylContact O-C 3.44Å; V943-L1101 VanDerWaalsContact O-CA 3.26Å; V943-L1101 WeakPolarHBondContact O-CA 3.49Å; F944-L1101 HydrophobicContact CB-CD1 4.06Å; L956-L1101 HydrophobicContact CD1-CD1 4.34Å; L1067-L1101 HydrophobicContact CD2-CD2 4.16Å; I1069-L1101 HydrophobicContact CD1-CD1 4.39Å; I1069-L1101 HydrophobicContact CD1-CD2 3.31Å; I1069-L1101 HydrophobicContact CD1-CG 4.43Å; R1099-L1101 PolarHBondContact O-N 2.98Å; L1101-V1108 HydrophobicContact CB-CB 4.29Å; L1101-V1108 HydrophobicContact CD2-CB 3.76Å; L1101-V1108 HydrophobicContact CD2-CG1 3.94Å; L1101-V1108 HydrophobicContact CD2-CG2 4.08Å; L1101-V1108 HydrophobicContact CG-CB 4.1Å; L1101-V1108 HydrophobicContact CG-CG2 4.35Å; L1101-V1108 PolarHBondContact O-N 2.84Å; L1101-L1110 HydrophobicContact CB-CD1 4.25Å; L1101-L1110 HydrophobicContact CB-CD2 3.87Å; L1101-L1110 HydrophobicContact CB-CG 4.09Å; L1101-L1110 HydrophobicContact CD2-CD2 3.82Å |
| 1102 | R | 91.7 | Very high | 83.9 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 13% | 0.125 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.2 | 168.1 | 176.8 | 169.2 | 64.6 | 89.3 | -8.8 | 109.6 | W901 I912 I942 V943 G1100 G1104 Q1106 | W901-R1102 PolarHBondContact O-NH2 2.82Å; I912-R1102 HydrophobicContact CD1-CB 3.88Å; I942-R1102 CarbonylContact C-O 3.5Å; I942-R1102 WeakPolarHBondContact CA-O 3.45Å; V943-R1102 HydrophobicContact CB-CB 4.45Å; V943-R1102 PolarHBondContact N-O 3.21Å; V943-R1102 PolarHBondContact O-N 3.34Å; G1100-R1102 PolarHBondContact O-N 2.91Å; R1102-G1104 WeakPolarHBondContact CG-O 3.26Å; R1102-G1104 PolarHBondContact NH1-O 3.1Å; R1102-Q1106 CarbonylContact C-O 3.56Å; R1102-Q1106 WeakPolarHBondContact CA-O 3.48Å |
| 1103 | V | 92.9 | Very high | 82 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116 | 172.3 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | L933 D935 A937 S941 I942 L1067 S1105 Q1106 | L933-V1103 HydrophobicContact CD1-CG1 4.38Å; L933-V1103 HydrophobicContact CD1-CG2 4.31Å; L933-V1103 HydrophobicContact CD2-CB 4.46Å; L933-V1103 HydrophobicContact CD2-CG2 4.31Å; D935-V1103 HydrophobicContact CB-CG1 4.22Å; D935-V1103 WeakPolarHBondContact CB-O 3.46Å; D935-V1103 WeakPolarHBondContact O-CG1 3.48Å; A937-V1103 HydrophobicContact CB-CG1 3.96Å; S941-V1103 CarbonylContact O-C 3.56Å; S941-V1103 WeakPolarHBondContact O-CA 3.4Å; I942-V1103 HydrophobicContact CG2-CG2 4.44Å; L1067-V1103 HydrophobicContact CD2-CG2 4.23Å; V1103-S1105 PolarHBondContact O-N 3.32Å; V1103-Q1106 PolarHBondContact N-O 2.75Å; V1103-Q1106 PolarHBondContact O-N 2.83Å |
| 1104 | G | 89.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -119.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112 | S941 R1102 | S941-G1104 PolarHBondContact O-N 2.83Å; R1102-G1104 WeakPolarHBondContact CG-O 3.26Å; R1102-G1104 PolarHBondContact NH1-O 3.1Å |
| 1105 | S | 84.2 | Confident | 76.9 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 66% | 0.657 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -21.8 | 174.9 | 68 | 0 | 0 | 0 | 0 | 113.5 | D935 V1103 T1107 | D935-S1105 WeakPolarHBondContact OD2-CB 3.32Å; D935-S1105 PolarHBondContact OD2-N 3.08Å; D935-S1105 PolarHBondContact OD2-OG 3.13Å; V1103-S1105 PolarHBondContact O-N 3.32Å; S1105-T1107 PolarHBondContact O-N 2.87Å |
| 1106 | Q | 85.3 | Confident | 74.2 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112.2 | -173.4 | -171.7 | -174.9 | 12.5 | 0 | 0 | 112.4 | Q934 R1102 V1103 V1108 | Q934-Q1106 HydrophobicContact CB-CB 4.44Å; R1102-Q1106 CarbonylContact C-O 3.56Å; R1102-Q1106 WeakPolarHBondContact CA-O 3.48Å; V1103-Q1106 PolarHBondContact N-O 2.75Å; V1103-Q1106 PolarHBondContact O-N 2.83Å; Q1106-V1108 HydrophobicContact CG-CG2 4.44Å |
| 1107 | T | 84.4 | Confident | 71.3 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.5 | 165.2 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | I912 S1105 | I912-T1107 HydrophobicContact CB-CG2 4Å; I912-T1107 HydrophobicContact CG2-CG2 3.86Å; S1105-T1107 PolarHBondContact O-N 2.87Å |
| 1108 | V | 82.7 | Confident | 68.5 | Low | 16 Ų | 16 | 65 Ų | 65 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | trans | -102.9 | 121.7 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | I930 L933 L1101 Q1106 L1110 | I930-V1108 HydrophobicContact CD1-CG1 3.85Å; I930-V1108 HydrophobicContact CG1-CG1 4.47Å; L933-V1108 HydrophobicContact CD2-CG2 3.9Å; L1101-V1108 HydrophobicContact CB-CB 4.29Å; L1101-V1108 HydrophobicContact CD2-CB 3.76Å; L1101-V1108 HydrophobicContact CD2-CG1 3.94Å; L1101-V1108 HydrophobicContact CD2-CG2 4.08Å; L1101-V1108 HydrophobicContact CG-CB 4.1Å; L1101-V1108 HydrophobicContact CG-CG2 4.35Å; L1101-V1108 PolarHBondContact O-N 2.84Å; Q1106-V1108 HydrophobicContact CG-CG2 4.44Å; V1108-L1110 PolarHBondContact O-N 2.93Å | ||
| 1109 | K | 72.3 | Confident | 65.6 | Low | 151 Ų | 151 | 71.3 Ų | 71.3 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | trans | -76.2 | 90 | 178.2 | -64.2 | -174.7 | 178.6 | -174.8 | 0 | 111.1 | R1111 N1112 S1113 | K1109-R1111 VanDerWaalsContact C-N 3.33Å; K1109-R1111 PolarHBondContact O-N 3.48Å; K1109-N1112 HydrophobicContact CB-CB 3.73Å; K1109-N1112 HydrophobicContact CD-CB 4.24Å; K1109-N1112 CarbonylContact O-C 3.59Å; K1109-N1112 PolarHBondContact O-N 2.84Å; K1109-S1113 PolarHBondContact O-N 2.73Å | ||
| 1110 | L | 71.5 | Confident | 63.1 | Low | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -51.5 | -49.3 | 179.2 | -64 | 176.7 | 0 | 0 | 0 | 112.6 | V918 L928 I1069 M1098 L1101 V1108 N1112 S1113 | V918-L1110 HydrophobicContact CB-CB 4.29Å; V918-L1110 HydrophobicContact CG1-CB 3.99Å; V918-L1110 HydrophobicContact CG1-CD1 3.99Å; L928-L1110 HydrophobicContact CD1-CB 4.3Å; L928-L1110 HydrophobicContact CD1-CD2 4.04Å; I1069-L1110 HydrophobicContact CD1-CD2 3.93Å; M1098-L1110 HydrophobicContact CB-CD1 4.37Å; L1101-L1110 HydrophobicContact CB-CD1 4.25Å; L1101-L1110 HydrophobicContact CB-CD2 3.87Å; L1101-L1110 HydrophobicContact CB-CG 4.09Å; L1101-L1110 HydrophobicContact CD2-CD2 3.82Å; V1108-L1110 PolarHBondContact O-N 2.93Å; L1110-N1112 PolarHBondContact O-N 3.02Å; L1110-N1112 VanDerWaalsContact O-N 3.17Å; L1110-S1113 PolarHBondContact O-N 3.3Å; L1110-S1113 PolarHBondContact O-OG 3.47Å |
| 1111 | R | 64.4 | Low | 60.9 | Low | 86 Ų | 86 | 77.3 Ų | 77.3 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -59 | -23.3 | 176.6 | -65.8 | -179.3 | 176.2 | -172.6 | -4.6 | 114.8 | D915 D917 K1109 S1314 | D915-R1111 WeakPolarHBondContact O-CD 3.48Å; D915-R1111 PolarHBondContact O-NE 3.46Å; D915-R1111 PolarHBondContact O-NH1 2.93Å; D917-R1111 WeakPolarHBondContact O-CG 3.47Å; D917-R1111 PolarHBondContact O-NE 2.72Å; D917-R1111 IonicContact OD1-CZ 2.81Å; D917-R1111 IonicContact OD1-NE 3.14Å; D917-R1111 IonicContact OD1-NH2 3.08Å; D917-R1111 PolarHBondContact OD1-NH2 2.81Å; K1109-R1111 VanDerWaalsContact C-N 3.33Å; K1109-R1111 PolarHBondContact O-N 3.48Å; R1111-S1314 PolarHBondContact NH1-OG 2.83Å; R1111-S1314 PolarHBondContact NH2-OG 3.44Å |
| 1112 | N | 51.7 | Low | 58.9 | Low | 123 Ų | 123 | 82.2 Ų | 82.2 | 66% | 0.658 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -112.7 | 10 | -172.1 | -142.4 | 90.4 | 0 | 0 | 0 | 112.8 | K1109 L1110 | K1109-N1112 HydrophobicContact CB-CB 3.73Å; K1109-N1112 HydrophobicContact CD-CB 4.24Å; K1109-N1112 CarbonylContact O-C 3.59Å; K1109-N1112 PolarHBondContact O-N 2.84Å; L1110-N1112 PolarHBondContact O-N 3.02Å; L1110-N1112 VanDerWaalsContact O-N 3.17Å |
| 1113 | S | 47.2 | Very low | 57.5 | Low | 31 Ų | 31 | 80.8 Ų | 80.8 | 22% | 0.217 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -66 | 133.8 | 155.4 | 65.5 | 0 | 0 | 0 | 0 | 107.8 | K1109 L1110 L1115 | K1109-S1113 PolarHBondContact O-N 2.73Å; L1110-S1113 PolarHBondContact O-N 3.3Å; L1110-S1113 PolarHBondContact O-OG 3.47Å; S1113-L1115 PolarHBondContact O-N 3.37Å |
| 1114 | E | 35.3 | Very low | 56.4 | Low | 198 Ų | 198 | 81.5 Ų | 81.5 | 93% | 0.925 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 25.6 | -155.4 | -56.8 | -178.5 | 138.7 | 0 | 0 | 116.6 | ||
| 1115 | L | 35 | Very low | 55.7 | Low | 165 Ų | 165 | 83.3 Ų | 83.3 | 86% | 0.864 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.6 | 8.6 | -172.2 | -70.5 | 171.1 | 0 | 0 | 0 | 114.9 | S1113 E1117 | S1113-L1115 PolarHBondContact O-N 3.37Å; L1115-E1117 PolarHBondContact O-N 3.27Å |
| 1116 | A | 30.9 | Very low | 55.4 | Low | 40 Ų | 40 | 78.9 Ų | 78.9 | 33% | 0.331 | 41% | 0.405 | S | S | . | . | trans | -98.6 | 43.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1118 | A1116-S1118 PolarHBondContact O-N 3.19Å; A1116-S1118 VanDerWaalsContact O-N 3.15Å | ||
| 1117 | E | 26.3 | Very low | 54.7 | Low | 186 Ų | 186 | 81.5 Ų | 81.5 | 87% | 0.869 | 42% | 0.417 | S | S | * | . | trans | -81.3 | 79 | 171.9 | -68.8 | -173.7 | 166.9 | 0 | 0 | 111.7 | L1115 | L1115-E1117 PolarHBondContact O-N 3.27Š| ||
| 1118 | S | 29.4 | Very low | 53.9 | Low | 74 Ų | 74 | 80.9 Ų | 80.9 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | trans | -152.8 | 92.3 | 172.2 | -165.9 | 0 | 0 | 0 | 0 | 116.1 | A1116 | A1116-S1118 PolarHBondContact O-N 3.19Å; A1116-S1118 VanDerWaalsContact O-N 3.15Å | ||
| 1119 | F | 31.2 | Very low | 53.1 | Low | 135 Ų | 135 | 81 Ų | 81 | 59% | 0.592 | 43% | 0.426 | S | S | * | . | trans | 19.6 | 108.8 | 143.4 | -45.1 | -79.3 | 0 | 0 | 0 | 120.3 | F1122 P1292 | F1119-F1122 HydrophobicContact CD1-CE2 4.1Å; F1119-P1292 HydrophobicContact CD1-CG 4.43Å | ||
| 1120 | S | 37.2 | Very low | 53.3 | Low | 90 Ų | 90 | 73.9 Ų | 73.9 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -172.4 | -24.9 | 144.9 | 40.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1121 | N | 42.9 | Very low | 53.8 | Low | 84 Ų | 84 | 73.7 Ų | 73.7 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | trans | -106.7 | 30.9 | -174.4 | -84.8 | -18.7 | 0 | 0 | 0 | 114.7 | D917 G1123 S1314 | D917-N1121 PolarHBondContact OD2-ND2 3.09Å; N1121-G1123 PolarHBondContact O-N 3.17Å; N1121-S1314 WeakPolarHBondContact O-CA 3.44Å | ||
| 1122 | F | 51.3 | Low | 54.4 | Low | 106 Ų | 106 | 69.7 Ų | 69.7 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | trans | -79.9 | 122 | -177.8 | -74.6 | -70.3 | 0 | 0 | 0 | 113.2 | F1119 F1312 | F1119-F1122 HydrophobicContact CD1-CE2 4.1Å; F1122-F1312 HydrophobicContact CB-CD1 4.32Å; F1122-F1312 HydrophobicContact CD1-CB 3.86Å; F1122-F1312 HydrophobicContact CE1-CB 4.24Å | ||
| 1123 | G | 62.2 | Low | 55.7 | Low | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -174.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1121 I1272 F1312 T1313 | N1121-G1123 PolarHBondContact O-N 3.17Å; G1123-I1272 CarbonylContact C-O 3.55Å; G1123-I1272 WeakPolarHBondContact CA-O 3.2Å; G1123-F1312 WeakPolarHBondContact O-CA 3.4Å; G1123-T1313 CarbonylContact C-O 3.53Å; G1123-T1313 WeakPolarHBondContact CA-O 3.43Å; G1123-T1313 PolarHBondContact N-O 2.94Å; G1123-T1313 PolarHBondContact O-N 3.39Å; G1123-T1313 VanDerWaalsContact O-O 3.06Å |
| 1124 | L | 70.7 | Confident | 57.1 | Low | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 103 | -168.1 | -139.1 | 140.9 | 0 | 0 | 0 | 107.3 | L1126 V1132 I1272 F1302 P1310 F1312 | L1124-L1126 HydrophobicContact CD2-CD2 3.71Å; L1124-L1126 HydrophobicContact CD2-CG 4.09Å; L1124-V1132 HydrophobicContact CD1-CG2 4.13Å; L1124-V1132 HydrophobicContact CD2-CG2 3.54Å; L1124-V1132 HydrophobicContact CG-CG2 4.5Å; L1124-I1272 WeakPolarHBondContact CB-O 3.34Å; L1124-I1272 PolarHBondContact N-O 3.21Å; L1124-I1272 PolarHBondContact O-N 3.19Å; L1124-F1302 HydrophobicContact CD1-CE1 4.43Å; L1124-P1310 HydrophobicContact CD2-CB 3.44Å; L1124-P1310 VanDerWaalsContact CD2-CB 3.44Å; L1124-P1310 HydrophobicContact CD2-CG 4.42Å; L1124-P1310 HydrophobicContact CG-CB 4.45Å; L1124-F1312 HydrophobicContact CD1-CD1 4.4Å; L1124-F1312 HydrophobicContact CD1-CE1 3.7Å; L1124-F1312 HydrophobicContact CD1-CZ 3.82Å; L1124-F1312 HydrophobicContact CG-CE1 4.3Å |
| 1125 | Q | 73.9 | Confident | 59.1 | Low | 51 Ų | 51 | 54.2 Ų | 54.2 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 120.2 | 175 | -178 | 71.1 | 1.3 | 0 | 0 | 108.3 | E1127 C1271 V1311 T1313 | Q1125-E1127 HydrophobicContact CG-CG 4.18Å; Q1125-E1127 WeakPolarHBondContact CG-OE1 3.47Å; Q1125-E1127 PolarHBondContact NE2-OE1 2.86Å; Q1125-C1271 VanDerWaalsContact OE1-CB 3.31Å; Q1125-V1311 PolarHBondContact N-O 3.07Å; Q1125-V1311 PolarHBondContact O-N 2.87Å; Q1125-V1311 VanDerWaalsContact O-N 3.16Å; Q1125-T1313 HydrophobicContact CB-CG2 3.57Å |
| 1126 | L | 76.7 | Confident | 61.1 | Low | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 110.1 | -177.5 | -67.8 | 162.4 | 0 | 0 | 0 | 108.2 | L1124 Y1268 E1269 G1270 I1272 P1310 | L1124-L1126 HydrophobicContact CD2-CD2 3.71Å; L1124-L1126 HydrophobicContact CD2-CG 4.09Å; L1126-Y1268 HydrophobicContact CD1-CD1 3.98Å; L1126-Y1268 HydrophobicContact CD1-CE1 4.43Å; L1126-E1269 VanDerWaalsContact O-CA 3.28Å; L1126-E1269 WeakPolarHBondContact O-CA 3.22Å; L1126-G1270 PolarHBondContact N-O 2.91Å; L1126-G1270 PolarHBondContact O-N 2.98Å; L1126-I1272 HydrophobicContact CD1-CB 4.43Å; L1126-I1272 HydrophobicContact CD1-CD1 3.68Å; L1126-I1272 HydrophobicContact CD1-CG1 3.99Å; L1126-P1310 HydrophobicContact CD2-CB 4.22Å |
| 1127 | E | 72.2 | Confident | 63.1 | Low | 99 Ų | 99 | 50.1 Ų | 50.1 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | trans | -131.8 | 164.5 | 177.2 | -73 | 176 | -160.8 | 0 | 0 | 109.9 | Q1125 G1129 S1130 | Q1125-E1127 HydrophobicContact CG-CG 4.18Å; Q1125-E1127 WeakPolarHBondContact CG-OE1 3.47Å; Q1125-E1127 PolarHBondContact NE2-OE1 2.86Å; E1127-G1129 PolarHBondContact O-N 2.87Å; E1127-S1130 PolarHBondContact N-OG 3.24Å; E1127-S1130 WeakPolarHBondContact O-CB 3.44Å; E1127-S1130 PolarHBondContact O-N 3.05Å; E1127-S1130 PolarHBondContact O-OG 3.21Å | ||
| 1128 | G | 67.5 | Low | 65.2 | Low | 42 Ų | 42 | 47.4 Ų | 47.4 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 12.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1129 | G | 66.2 | Low | 66.8 | Low | 18 Ų | 18 | 44.3 Ų | 44.3 | 19% | 0.186 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 27.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1127 K1267 | E1127-G1129 PolarHBondContact O-N 2.87Å; G1129-K1267 WeakPolarHBondContact O-CD 3.25Å; G1129-K1267 WeakPolarHBondContact O-CE 3.38Å; G1129-K1267 PolarHBondContact O-NZ 2.89Å |
| 1130 | S | 75.7 | Confident | 67.9 | Low | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | trans | -67.3 | 153.8 | 164.1 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | E1127 S1308 | E1127-S1130 PolarHBondContact N-OG 3.24Å; E1127-S1130 WeakPolarHBondContact O-CB 3.44Å; E1127-S1130 PolarHBondContact O-N 3.05Å; E1127-S1130 PolarHBondContact O-OG 3.21Å; S1130-S1308 WeakPolarHBondContact CB-O 3Å | ||
| 1131 | F | 81.5 | Confident | 68.6 | Low | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 166.9 | 173.6 | 63.3 | -96.5 | 0 | 0 | 0 | 110.9 | W1252 I1253 S1256 S1257 I1303 Y1305 | F1131-W1252 HydrophobicContact CD2-CE3 4Å; F1131-W1252 HydrophobicContact CD2-CZ3 4.41Å; F1131-W1252 AromaticContact CE2-CE3 3.68Å; F1131-W1252 HydrophobicContact CE2-CE3 3.68Å; F1131-W1252 AromaticContact CE2-CZ3 3.68Å; F1131-W1252 HydrophobicContact CE2-CZ3 3.68Å; F1131-I1253 WeakPolarHBondContact CA-O 3.26Å; F1131-I1253 WeakPolarHBondContact CB-O 3.45Å; F1131-S1256 VanDerWaalsContact CZ-C 3.43Å; F1131-S1257 VanDerWaalsContact CZ-N 3.35Å; F1131-I1303 HydrophobicContact CD2-CB 4.35Å; F1131-I1303 HydrophobicContact CE1-CG2 4.27Å; F1131-I1303 HydrophobicContact CE2-CB 3.78Å; F1131-I1303 HydrophobicContact CE2-CD1 4.04Å; F1131-I1303 HydrophobicContact CE2-CG2 3.87Å; F1131-I1303 HydrophobicContact CZ-CB 4.03Å; F1131-I1303 HydrophobicContact CZ-CG2 3.59Å; F1131-I1303 PolarHBondContact N-O 2.83Å; F1131-I1303 PolarHBondContact O-N 2.85Å; F1131-I1303 VanDerWaalsContact O-O 3.14Å; F1131-Y1305 AromaticContact CE1-CD2 3.75Å; F1131-Y1305 HydrophobicContact CE1-CD2 3.75Å; F1131-Y1305 AromaticContact CE1-CE2 3.64Å; F1131-Y1305 HydrophobicContact CE1-CE2 3.64Å; F1131-Y1305 HydrophobicContact CZ-CD2 4.24Å; F1131-Y1305 AromaticContact CZ-CE2 3.74Å; F1131-Y1305 HydrophobicContact CZ-CE2 3.74Å |
| 1132 | V | 77.8 | Confident | 68.8 | Low | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.3 | -178.4 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | L1124 W1252 I1253 F1300 F1302 P1310 | L1124-V1132 HydrophobicContact CD1-CG2 4.13Å; L1124-V1132 HydrophobicContact CD2-CG2 3.54Å; L1124-V1132 HydrophobicContact CG-CG2 4.5Å; V1132-W1252 CarbonylContact O-C 3.54Å; V1132-W1252 WeakPolarHBondContact O-CA 3.49Å; V1132-I1253 HydrophobicContact CB-CB 4.48Å; V1132-I1253 PolarHBondContact N-O 3.14Å; V1132-I1253 PolarHBondContact O-N 3.17Å; V1132-F1300 HydrophobicContact CG1-CD1 3.39Å; V1132-F1300 HydrophobicContact CG1-CE1 3.89Å; V1132-F1300 HydrophobicContact CG1-CG 4.39Å; V1132-F1302 HydrophobicContact CG2-CD1 3.77Å; V1132-F1302 HydrophobicContact CG2-CE1 4.07Å; V1132-P1310 HydrophobicContact CG2-CB 4.3Å; V1132-P1310 HydrophobicContact CG2-CG 4.03Å |
| 1133 | S | 78.4 | Confident | 68.4 | Low | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 143.1 | 174.4 | 71.1 | 0 | 0 | 0 | 0 | 111 | L1251 F1300 Q1301 | S1133-L1251 CarbonylContact C-O 3.59Å; S1133-L1251 WeakPolarHBondContact CA-O 3.35Å; S1133-F1300 CarbonylContact O-C 3.55Å; S1133-F1300 WeakPolarHBondContact O-CA 3.43Å; S1133-Q1301 PolarHBondContact N-O 2.89Å; S1133-Q1301 VanDerWaalsContact N-O 3.09Å; S1133-Q1301 PolarHBondContact O-N 2.84Å; S1133-Q1301 PolarHBondContact OG-O 2.8Å |
| 1134 | F | 76.2 | Confident | 67.7 | Low | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.8 | 179.5 | 179.6 | -93.9 | 0 | 0 | 0 | 110.7 | M1136 L1139 L1250 L1251 I1289 A1299 F1300 | F1134-M1136 HydrophobicContact CD1-CG 4.08Å; F1134-M1136 HydrophobicContact CD1-SD 3.69Å; F1134-M1136 HydrophobicContact CE1-CG 4.36Å; F1134-M1136 HydrophobicContact CE1-SD 3.67Å; F1134-M1136 PolarHBondContact O-N 3.33Å; F1134-L1139 HydrophobicContact CE1-CD1 3.92Å; F1134-L1139 HydrophobicContact CE1-CD2 4.06Å; F1134-L1139 HydrophobicContact CE1-CG 3.86Å; F1134-L1139 HydrophobicContact CZ-CD1 4.44Å; F1134-L1139 HydrophobicContact CZ-CD2 3.76Å; F1134-L1139 HydrophobicContact CZ-CG 4.06Å; F1134-L1250 CarbonylContact O-C 3.51Å; F1134-L1250 VanDerWaalsContact O-CA 3.31Å; F1134-L1250 WeakPolarHBondContact O-CA 3.47Å; F1134-L1251 HydrophobicContact CB-CB 4.22Å; F1134-L1251 HydrophobicContact CD1-CB 4.5Å; F1134-L1251 PolarHBondContact N-O 3.28Å; F1134-L1251 PolarHBondContact O-N 3.36Å; F1134-I1289 HydrophobicContact CE2-CG2 4.07Å; F1134-I1289 HydrophobicContact CZ-CG2 4.07Å; F1134-A1299 CarbonylContact C-O 3.59Å; F1134-A1299 WeakPolarHBondContact CA-O 3.24Å; F1134-A1299 HydrophobicContact CD2-CB 3.78Å; F1134-A1299 HydrophobicContact CE2-CB 3.23Å; F1134-A1299 HydrophobicContact CZ-CB 3.74Å; F1134-F1300 HydrophobicContact CB-CD1 3.81Å; F1134-F1300 HydrophobicContact CB-CE1 3.56Å; F1134-F1300 HydrophobicContact CB-CZ 4.13Å; F1134-F1300 AromaticContact CD2-CD1 3.78Å; F1134-F1300 HydrophobicContact CD2-CD1 3.78Å; F1134-F1300 AromaticContact CD2-CD2 3.71Å; F1134-F1300 HydrophobicContact CD2-CD2 3.71Å; F1134-F1300 AromaticContact CD2-CE1 3.52Å; F1134-F1300 HydrophobicContact CD2-CE1 3.52Å; F1134-F1300 AromaticContact CD2-CE2 3.4Å; F1134-F1300 HydrophobicContact CD2-CE2 3.4Å; F1134-F1300 AromaticContact CD2-CG 3.88Å; F1134-F1300 HydrophobicContact CD2-CG 3.88Å; F1134-F1300 AromaticContact CD2-CZ 3.27Å; F1134-F1300 HydrophobicContact CD2-CZ 3.27Å; F1134-F1300 HydrophobicContact CE2-CD2 4.14Å; F1134-F1300 AromaticContact CE2-CE2 3.7Å; F1134-F1300 HydrophobicContact CE2-CE2 3.7Å; F1134-F1300 AromaticContact CE2-CZ 3.9Å; F1134-F1300 HydrophobicContact CE2-CZ 3.9Å; F1134-F1300 HydrophobicContact CG-CD1 4.3Å; F1134-F1300 AromaticContact CG-CE1 3.93Å; F1134-F1300 HydrophobicContact CG-CE1 3.93Å; F1134-F1300 AromaticContact CG-CZ 3.99Å; F1134-F1300 HydrophobicContact CG-CZ 3.99Å |
| 1135 | D | 77.6 | Confident | 66.4 | Low | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 94.9 | -178.2 | -167.4 | -6.3 | 0 | 0 | 0 | 111.9 | R1137 R1138 L1250 A1299 | D1135-R1137 VanDerWaalsContact CG-NH2 3.27Å; D1135-R1137 PolarHBondContact O-N 2.92Å; D1135-R1137 VanDerWaalsContact O-N 3.13Å; D1135-R1137 VanDerWaalsContact OD1-CB 3.29Å; D1135-R1137 WeakPolarHBondContact OD1-CB 3.45Å; D1135-R1137 IonicContact OD1-CZ 3.4Å; D1135-R1137 PolarHBondContact OD1-N 3.22Å; D1135-R1137 IonicContact OD1-NE 2.73Å; D1135-R1137 PolarHBondContact OD1-NE 3.46Å; D1135-R1137 IonicContact OD1-NH2 3.25Å; D1135-R1137 PolarHBondContact OD1-NH2 3.25Å; D1135-R1137 IonicContact OD2-CZ 3.53Å; D1135-R1137 IonicContact OD2-NE 3.46Å; D1135-R1137 PolarHBondContact OD2-NE 3.06Å; D1135-R1137 IonicContact OD2-NH2 2.76Å; D1135-R1137 PolarHBondContact OD2-NH2 2.86Å; D1135-R1138 HydrophobicContact CB-CG 4.18Å; D1135-R1138 WeakPolarHBondContact O-CB 3.45Å; D1135-R1138 PolarHBondContact O-N 2.89Å; D1135-R1138 IonicContact OD2-NE 3.83Å; D1135-L1250 HydrophobicContact CB-CD2 3.81Å; D1135-A1299 PolarHBondContact N-O 2.84Å |
| 1136 | M | 76.5 | Confident | 65.3 | Low | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.6 | -179.7 | -64.4 | -75.1 | -69.8 | 0 | 0 | 112.7 | F1134 R1138 L1139 M1174 L1246 N1249 L1251 V1277 | F1134-M1136 HydrophobicContact CD1-CG 4.08Å; F1134-M1136 HydrophobicContact CD1-SD 3.69Å; F1134-M1136 HydrophobicContact CE1-CG 4.36Å; F1134-M1136 HydrophobicContact CE1-SD 3.67Å; F1134-M1136 PolarHBondContact O-N 3.33Å; M1136-R1138 PolarHBondContact O-N 2.84Å; M1136-L1139 HydrophobicContact CE-CD1 3.66Å; M1136-L1139 VanDerWaalsContact O-CB 3.28Å; M1136-L1139 WeakPolarHBondContact O-CB 3.19Å; M1136-L1139 PolarHBondContact O-N 3.26Å; M1136-L1139 HydrophobicContact SD-CD1 3.61Å; M1136-M1174 HydrophobicContact CG-SD 3.65Å; M1136-L1246 HydrophobicContact CE-CB 4.19Å; M1136-N1249 WeakPolarHBondContact CB-O 3.2Å; M1136-N1249 PolarHBondContact N-O 2.8Å; M1136-L1251 HydrophobicContact CG-CB 4.08Å; M1136-L1251 HydrophobicContact SD-CB 4.29Å; M1136-L1251 HydrophobicContact SD-CD2 4.35Å; M1136-V1277 HydrophobicContact CE-CG1 4.04Å; M1136-V1277 HydrophobicContact SD-CG1 4.31Å |
| 1137 | R | 74.5 | Confident | 64.3 | Low | 119 Ų | 119 | 59.6 Ų | 59.6 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -23.5 | 176.2 | -59.4 | 167.2 | -62.2 | -170 | 6 | 112.1 | D1135 L1139 F1247 | D1135-R1137 VanDerWaalsContact CG-NH2 3.27Å; D1135-R1137 PolarHBondContact O-N 2.92Å; D1135-R1137 VanDerWaalsContact O-N 3.13Å; D1135-R1137 VanDerWaalsContact OD1-CB 3.29Å; D1135-R1137 WeakPolarHBondContact OD1-CB 3.45Å; D1135-R1137 IonicContact OD1-CZ 3.4Å; D1135-R1137 PolarHBondContact OD1-N 3.22Å; D1135-R1137 IonicContact OD1-NE 2.73Å; D1135-R1137 PolarHBondContact OD1-NE 3.46Å; D1135-R1137 IonicContact OD1-NH2 3.25Å; D1135-R1137 PolarHBondContact OD1-NH2 3.25Å; D1135-R1137 IonicContact OD2-CZ 3.53Å; D1135-R1137 IonicContact OD2-NE 3.46Å; D1135-R1137 PolarHBondContact OD2-NE 3.06Å; D1135-R1137 IonicContact OD2-NH2 2.76Å; D1135-R1137 PolarHBondContact OD2-NH2 2.86Å; R1137-L1139 VanDerWaalsContact C-N 3.34Å; R1137-F1247 VanDerWaalsContact CA-O 3.27Å; R1137-F1247 WeakPolarHBondContact CA-O 3.29Å; R1137-F1247 WeakPolarHBondContact CG-O 3.45Å; R1137-F1247 PolarHBondContact N-O 2.78Å |
| 1138 | R | 68.9 | Low | 64 | Low | 129 Ų | 129 | 61.1 Ų | 61.1 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -77.4 | -19.4 | 177 | -65 | -178.3 | 174.1 | -134.3 | -12.3 | 112.8 | D1135 M1136 Y1298 A1299 | D1135-R1138 HydrophobicContact CB-CG 4.18Å; D1135-R1138 WeakPolarHBondContact O-CB 3.45Å; D1135-R1138 PolarHBondContact O-N 2.89Å; D1135-R1138 IonicContact OD2-NE 3.83Å; M1136-R1138 PolarHBondContact O-N 2.84Å; R1138-Y1298 PolarHBondContact NH1-O 2.94Å; R1138-A1299 HydrophobicContact CB-CB 4.36Å |
| 1139 | L | 62.9 | Low | 64.2 | Low | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 171.6 | -62.8 | 178.9 | 0 | 0 | 0 | 111.1 | F1134 M1136 R1137 Q1141 S1142 F1247 V1277 V1279 I1289 | F1134-L1139 HydrophobicContact CE1-CD1 3.92Å; F1134-L1139 HydrophobicContact CE1-CD2 4.06Å; F1134-L1139 HydrophobicContact CE1-CG 3.86Å; F1134-L1139 HydrophobicContact CZ-CD1 4.44Å; F1134-L1139 HydrophobicContact CZ-CD2 3.76Å; F1134-L1139 HydrophobicContact CZ-CG 4.06Å; M1136-L1139 HydrophobicContact CE-CD1 3.66Å; M1136-L1139 VanDerWaalsContact O-CB 3.28Å; M1136-L1139 WeakPolarHBondContact O-CB 3.19Å; M1136-L1139 PolarHBondContact O-N 3.26Å; M1136-L1139 HydrophobicContact SD-CD1 3.61Å; R1137-L1139 VanDerWaalsContact C-N 3.34Å; L1139-Q1141 PolarHBondContact O-N 3.31Å; L1139-S1142 WeakPolarHBondContact O-CB 3.34Å; L1139-S1142 PolarHBondContact O-N 2.86Å; L1139-S1142 PolarHBondContact O-OG 3.29Å; L1139-F1247 HydrophobicContact CB-CD1 4.14Å; L1139-F1247 HydrophobicContact CB-CE1 3.98Å; L1139-F1247 HydrophobicContact CD1-CE1 4.05Å; L1139-V1277 HydrophobicContact CD1-CG1 3.92Å; L1139-V1279 HydrophobicContact CD1-CG2 4.04Å; L1139-I1289 HydrophobicContact CD2-CD1 3.19Å; L1139-I1289 HydrophobicContact CD2-CG1 4.47Å |
| 1140 | E | 54.7 | Low | 64.6 | Low | 116 Ų | 116 | 60.6 Ų | 60.6 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -30.3 | -176.2 | -162.1 | 174.7 | -145.7 | 0 | 0 | 112.3 | S1142 S1143 F1247 | E1140-S1142 VanDerWaalsContact C-N 3.34Å; E1140-S1143 PolarHBondContact O-OG 2.76Å; E1140-F1247 HydrophobicContact CB-CD1 4.31Å |
| 1141 | Q | 51.5 | Low | 64.8 | Low | 169 Ų | 169 | 62.2 Ų | 62.2 | 79% | 0.79 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.2 | 174.5 | -64.8 | -176.6 | -2.1 | 0 | 0 | 114 | L1139 | L1139-Q1141 PolarHBondContact O-N 3.31Š|
| 1142 | S | 47.5 | Very low | 64.9 | Low | 72 Ų | 72 | 62.2 Ų | 62.2 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -24.8 | -179.7 | 74.5 | 0 | 0 | 0 | 0 | 113.2 | L1139 E1140 S1144 | L1139-S1142 WeakPolarHBondContact O-CB 3.34Å; L1139-S1142 PolarHBondContact O-N 2.86Å; L1139-S1142 PolarHBondContact O-OG 3.29Å; E1140-S1142 VanDerWaalsContact C-N 3.34Å; S1142-S1144 PolarHBondContact O-N 3.15Å |
| 1143 | S | 44.3 | Very low | 65 | Low | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | trans | -77.2 | 102 | 169 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | E1140 S1145 | E1140-S1143 PolarHBondContact O-OG 2.76Å; S1143-S1145 PolarHBondContact O-N 3.22Å | ||
| 1144 | S | 46.6 | Very low | 65.3 | Low | 134 Ų | 134 | 62.9 Ų | 62.9 | 94% | 0.937 | 34% | 0.341 | S | S | * | . | trans | -69.7 | 6 | 175.1 | 56 | 0 | 0 | 0 | 0 | 114.4 | S1142 | S1142-S1144 PolarHBondContact O-N 3.15Š| ||
| 1145 | S | 44.2 | Very low | 65.4 | Low | 51 Ų | 51 | 65.7 Ų | 65.7 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -113 | 139.2 | -179.5 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | S1143 L1147 | S1143-S1145 PolarHBondContact O-N 3.22Å; S1145-L1147 PolarHBondContact O-N 3.04Å |
| 1146 | S | 50.4 | Low | 65.7 | Low | 131 Ų | 131 | 64.8 Ų | 64.8 | 92% | 0.916 | 35% | 0.347 | S | S | * | . | trans | -77.4 | 32.4 | -178.8 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1147 | L | 55.2 | Low | 65.8 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 38% | 0.382 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -91 | 128.2 | -177.8 | -81.8 | 86.7 | 0 | 0 | 0 | 110.2 | S1145 D1282 | S1145-L1147 PolarHBondContact O-N 3.04Å; L1147-D1282 HydrophobicContact CD2-CB 4.43Å |
| 1148 | Q | 66.9 | Low | 66.4 | Low | 131 Ų | 131 | 59.2 Ų | 59.2 | 61% | 0.612 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 135.2 | 171.1 | -69.5 | -175.4 | -54.5 | 0 | 0 | 110.3 | ||
| 1149 | P | 71.2 | Confident | 67 | Low | 19 Ų | 19 | 53.9 Ų | 53.9 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 141.8 | 174.5 | 23.7 | -31 | 0 | 0 | 0 | 110.8 | V1152 V1243 F1247 V1279 H1280 | P1149-V1152 HydrophobicContact CB-CG2 4.46Å; P1149-V1243 HydrophobicContact CB-CG1 3.96Å; P1149-V1243 HydrophobicContact CG-CG1 3.91Å; P1149-F1247 HydrophobicContact CB-CE2 3.94Å; P1149-F1247 HydrophobicContact CB-CZ 4.14Å; P1149-F1247 HydrophobicContact CG-CD2 3.98Å; P1149-F1247 HydrophobicContact CG-CE2 3.4Å; P1149-F1247 VanDerWaalsContact CG-CE2 3.4Å; P1149-F1247 HydrophobicContact CG-CZ 3.96Å; P1149-V1279 HydrophobicContact CB-CG1 3.91Å; P1149-H1280 WeakPolarHBondContact CA-O 3.13Å |
| 1150 | T | 75.2 | Confident | 67.9 | Low | 31 Ų | 31 | 53.8 Ų | 53.8 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -103.4 | -33.9 | 179.8 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | H1280 D1282 | T1150-H1280 PolarHBondContact N-O 3.36Å; T1150-H1280 PolarHBondContact OG1-O 2.87Å; T1150-D1282 HydrophobicContact CG2-CB 4.45Å; T1150-D1282 VanDerWaalsContact CG2-CG 3.45Å; T1150-D1282 WeakPolarHBondContact CG2-OD1 3.42Å; T1150-D1282 WeakPolarHBondContact CG2-OD2 2.91Å |
| 1151 | L | 78.1 | Confident | 68.9 | Low | 36 Ų | 36 | 53.4 Ų | 53.4 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 139.4 | -177 | 174.1 | 149.7 | 0 | 0 | 0 | 110 | V1153 I1221 F1222 R1223 H1280 | L1151-V1153 HydrophobicContact CD2-CG2 3.53Å; L1151-I1221 HydrophobicContact CD1-CG2 3.71Å; L1151-I1221 HydrophobicContact CD2-CG2 4.4Å; L1151-I1221 HydrophobicContact CG-CG2 3.93Å; L1151-F1222 VanDerWaalsContact CA-O 3.28Å; L1151-F1222 WeakPolarHBondContact CA-O 3.46Å; L1151-R1223 HydrophobicContact CD1-CG 4.16Å; L1151-H1280 HydrophobicContact CB-CB 4.24Å; L1151-H1280 HydrophobicContact CD2-CB 4.06Å; L1151-H1280 WeakPolarHBondContact CD2-ND1 3.21Å; L1151-H1280 PolarHBondContact N-O 3.19Å; L1151-H1280 WeakPolarHBondContact O-CB 3.24Å; L1151-H1280 PolarHBondContact O-N 3.17Å |
| 1152 | V | 83.7 | Confident | 69.9 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.3 | 173.9 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | P1149 F1222 V1243 L1246 F1247 V1277 E1278 V1279 | P1149-V1152 HydrophobicContact CB-CG2 4.46Å; V1152-F1222 HydrophobicContact CB-CB 4.48Å; V1152-F1222 PolarHBondContact N-O 2.88Å; V1152-F1222 PolarHBondContact O-N 3.02Å; V1152-V1243 HydrophobicContact CG2-CG1 4.28Å; V1152-L1246 HydrophobicContact CB-CD1 3.62Å; V1152-L1246 HydrophobicContact CG1-CD1 3.71Å; V1152-L1246 HydrophobicContact CG2-CD1 3.92Å; V1152-F1247 HydrophobicContact CG2-CE2 3.75Å; V1152-F1247 HydrophobicContact CG2-CZ 3.63Å; V1152-V1277 HydrophobicContact CG1-CG1 4.06Å; V1152-E1278 CarbonylContact C-O 3.53Å; V1152-E1278 WeakPolarHBondContact CA-O 3.43Å; V1152-V1279 HydrophobicContact CG2-CG1 4.46Å |
| 1153 | V | 80.6 | Confident | 70.6 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.3 | 173.3 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | L1151 V1220 I1221 V1277 E1278 | L1151-V1153 HydrophobicContact CD2-CG2 3.53Å; V1153-V1220 CarbonylContact C-O 3.5Å; V1153-V1220 WeakPolarHBondContact CA-O 3.23Å; V1153-I1221 HydrophobicContact CG1-CG1 4.23Å; V1153-I1221 HydrophobicContact CG2-CG1 4.39Å; V1153-V1277 CarbonylContact O-C 3.56Å; V1153-V1277 WeakPolarHBondContact O-CA 3.31Å; V1153-E1278 HydrophobicContact CB-CB 4.19Å; V1153-E1278 PolarHBondContact N-O 2.84Å; V1153-E1278 PolarHBondContact O-N 3.46Å |
| 1154 | I | 84.9 | Confident | 71.4 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.4 | 163.4 | -56.9 | -177.2 | 0 | 0 | 0 | 106.3 | F1182 V1220 F1222 L1251 V1277 | I1154-F1182 HydrophobicContact CD1-CE1 3.92Å; I1154-F1182 HydrophobicContact CD1-CZ 3.87Å; I1154-V1220 PolarHBondContact N-O 2.82Å; I1154-V1220 PolarHBondContact O-N 2.67Å; I1154-F1222 HydrophobicContact CD1-CE2 3.9Å; I1154-F1222 HydrophobicContact CG1-CE2 4.14Å; I1154-L1251 HydrophobicContact CD1-CD1 4.06Å; I1154-L1251 HydrophobicContact CD1-CD2 4.22Å; I1154-V1277 HydrophobicContact CG1-CG1 4.4Å; I1154-V1277 HydrophobicContact CG1-CG2 4.28Å |
| 1155 | R | 78.3 | Confident | 72.1 | Confident | 62 Ų | 62 | 43.9 Ų | 43.9 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.6 | 172.4 | 64.4 | 177.2 | 171.6 | -120.6 | -1.2 | 110.8 | V1218 Y1219 N1274 V1275 E1276 E1278 | R1155-V1218 VanDerWaalsContact CA-O 3.31Å; R1155-V1218 WeakPolarHBondContact CA-O 3.42Å; R1155-Y1219 HydrophobicContact CB-CD1 3.58Å; R1155-Y1219 HydrophobicContact CB-CE1 3.78Å; R1155-Y1219 HydrophobicContact CB-CG 4.35Å; R1155-Y1219 HydrophobicContact CG-CE1 4.45Å; R1155-N1274 CarbonylContact C-O 3.55Å; R1155-N1274 VanDerWaalsContact O-O 3.05Å; R1155-V1275 CarbonylContact O-C 3.54Å; R1155-V1275 WeakPolarHBondContact O-CA 3.45Å; R1155-E1276 HydrophobicContact CG-CB 3.81Å; R1155-E1276 IonicContact CZ-OE2 2.7Å; R1155-E1276 PolarHBondContact N-O 3.27Å; R1155-E1276 IonicContact NE-OE2 3.48Å; R1155-E1276 PolarHBondContact NE-OE2 3.1Å; R1155-E1276 IonicContact NH2-OE2 3.71Å; R1155-E1276 PolarHBondContact NH2-OE2 2.9Å; R1155-E1276 PolarHBondContact O-N 2.76Å; R1155-E1278 IonicContact CZ-OE1 3.44Å; R1155-E1278 IonicContact CZ-OE2 2.98Å; R1155-E1278 IonicContact NH1-OE1 3.54Å; R1155-E1278 PolarHBondContact NH1-OE1 2.96Å; R1155-E1278 IonicContact NH1-OE2 3.75Å; R1155-E1278 PolarHBondContact NH1-OE2 2.64Å; R1155-E1278 IonicContact NH2-OE1 2.7Å; R1155-E1278 PolarHBondContact NH2-OE1 3.16Å |
| 1156 | F | 83.9 | Confident | 72.8 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 165.4 | 172 | 63.4 | -83.1 | 0 | 0 | 0 | 110 | F1158 L1171 V1172 I1184 V1218 I1272 N1274 V1275 | F1156-F1158 HydrophobicContact CD2-CD1 4.41Å; F1156-F1158 AromaticContact CE2-CD1 3.92Å; F1156-F1158 HydrophobicContact CE2-CD1 3.92Å; F1156-L1171 HydrophobicContact CE2-CD2 4.43Å; F1156-V1172 HydrophobicContact CD1-CG2 4.11Å; F1156-V1172 HydrophobicContact CE1-CB 4.37Å; F1156-V1172 HydrophobicContact CE1-CG2 3.63Å; F1156-V1172 HydrophobicContact CE2-CG2 4.1Å; F1156-V1172 HydrophobicContact CZ-CB 4.41Å; F1156-V1172 HydrophobicContact CZ-CG2 3.62Å; F1156-I1184 HydrophobicContact CE1-CD1 4.41Å; F1156-I1184 HydrophobicContact CZ-CD1 4.4Å; F1156-V1218 HydrophobicContact CD1-CB 4.11Å; F1156-V1218 HydrophobicContact CD1-CG1 4.36Å; F1156-V1218 HydrophobicContact CD2-CB 4.32Å; F1156-V1218 HydrophobicContact CE1-CB 3.68Å; F1156-V1218 HydrophobicContact CE1-CG1 3.57Å; F1156-V1218 HydrophobicContact CE1-CG2 4.45Å; F1156-V1218 HydrophobicContact CE2-CB 3.92Å; F1156-V1218 HydrophobicContact CE2-CG1 4.46Å; F1156-V1218 HydrophobicContact CE2-CG2 3.9Å; F1156-V1218 HydrophobicContact CG-CB 4.41Å; F1156-V1218 HydrophobicContact CZ-CB 3.58Å; F1156-V1218 HydrophobicContact CZ-CG1 3.63Å; F1156-V1218 HydrophobicContact CZ-CG2 3.84Å; F1156-V1218 PolarHBondContact N-O 2.81Å; F1156-V1218 PolarHBondContact O-N 2.8Å; F1156-I1272 HydrophobicContact CB-CG2 4.4Å; F1156-I1272 HydrophobicContact CD2-CG2 4.26Å; F1156-N1274 WeakPolarHBondContact CA-O 3.26Å; F1156-V1275 HydrophobicContact CB-CG2 3.99Å |
| 1157 | A | 78.8 | Confident | 73.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R1215 H1216 F1217 I1272 S1273 | A1157-R1215 HydrophobicContact CB-CG 4Å; A1157-H1216 CarbonylContact C-O 3.56Å; A1157-H1216 WeakPolarHBondContact CA-O 3.38Å; A1157-F1217 HydrophobicContact CB-CD1 3.69Å; A1157-F1217 HydrophobicContact CB-CE1 3.79Å; A1157-F1217 HydrophobicContact CB-CG 4.3Å; A1157-F1217 HydrophobicContact CB-CZ 4.45Å; A1157-I1272 CarbonylContact O-C 3.59Å; A1157-I1272 WeakPolarHBondContact O-CA 3.4Å; A1157-S1273 PolarHBondContact N-O 3.41Å; A1157-S1273 PolarHBondContact O-N 3.24Å; A1157-S1273 PolarHBondContact O-OG 2.84Å |
| 1158 | F | 86.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.4 | -178.8 | 75.3 | -90.8 | 0 | 0 | 0 | 112 | F1156 L1171 L1186 L1191 F1210 R1215 H1216 V1218 I1231 Y1268 C1271 I1272 | F1156-F1158 HydrophobicContact CD2-CD1 4.41Å; F1156-F1158 AromaticContact CE2-CD1 3.92Å; F1156-F1158 HydrophobicContact CE2-CD1 3.92Å; F1158-L1171 HydrophobicContact CB-CD2 3.97Å; F1158-L1171 HydrophobicContact CD1-CD1 4.04Å; F1158-L1171 HydrophobicContact CD1-CD2 4.25Å; F1158-L1171 HydrophobicContact CD2-CD1 4.42Å; F1158-L1171 HydrophobicContact CD2-CD2 4.13Å; F1158-L1171 HydrophobicContact CE1-CD1 3.9Å; F1158-L1171 HydrophobicContact CE2-CD1 4.31Å; F1158-L1171 HydrophobicContact CG-CD1 4.3Å; F1158-L1171 HydrophobicContact CG-CD2 3.85Å; F1158-L1171 HydrophobicContact CZ-CD1 4.04Å; F1158-L1186 HydrophobicContact CD2-CD2 4.29Å; F1158-L1186 HydrophobicContact CE2-CD1 3.92Å; F1158-L1186 HydrophobicContact CE2-CD2 3.69Å; F1158-L1186 HydrophobicContact CE2-CG 4.48Å; F1158-L1186 HydrophobicContact CZ-CD1 3.79Å; F1158-L1186 HydrophobicContact CZ-CD2 4.4Å; F1158-L1191 HydrophobicContact CE1-CD1 4.24Å; F1158-L1191 HydrophobicContact CZ-CD1 4.34Å; F1158-F1210 HydrophobicContact CE2-CB 4.13Å; F1158-F1210 HydrophobicContact CZ-CB 4.09Å; F1158-F1210 HydrophobicContact CZ-CD1 4.4Å; F1158-F1210 HydrophobicContact CZ-CG 4.44Å; F1158-R1215 WeakPolarHBondContact O-CA 3.2Å; F1158-H1216 HydrophobicContact CD1-CB 4.21Å; F1158-H1216 HydrophobicContact CE1-CB 3.71Å; F1158-H1216 HydrophobicContact CE2-CB 4.31Å; F1158-H1216 HydrophobicContact CZ-CB 3.77Å; F1158-H1216 PolarHBondContact N-O 2.97Å; F1158-H1216 PolarHBondContact O-N 2.89Å; F1158-V1218 HydrophobicContact CD1-CG2 3.86Å; F1158-V1218 HydrophobicContact CE1-CG2 3.58Å; F1158-I1231 HydrophobicContact CE1-CD1 3.87Å; F1158-I1231 HydrophobicContact CZ-CD1 4.01Å; F1158-Y1268 HydrophobicContact CD2-CE2 4.26Å; F1158-C1271 CarbonylContact C-O 3.55Å; F1158-C1271 VanDerWaalsContact CA-O 3.25Å; F1158-C1271 WeakPolarHBondContact CA-O 3.25Å; F1158-I1272 HydrophobicContact CB-CG1 4.2Å |
| 1159 | S | 81.2 | Confident | 76.4 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 137.7 | 165.7 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | L1214 Y1268 C1271 | S1159-L1214 WeakPolarHBondContact CA-O 3.16Å; S1159-L1214 WeakPolarHBondContact CB-O 3.37Å; S1159-Y1268 VanDerWaalsContact C-OH 3.27Å; S1159-Y1268 PolarHBondContact N-OH 2.9Å; S1159-Y1268 PolarHBondContact O-OH 2.98Å; S1159-C1271 PolarHBondContact N-O 3.02Å; S1159-C1271 PolarHBondContact O-N 2.81Å |
| 1160 | S | 82.7 | Confident | 77.3 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | trans | -148.2 | 153.4 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 111 | A1162 L1211 G1213 E1269 | S1160-A1162 WeakPolarHBondContact OG-CB 3.43Å; S1160-A1162 PolarHBondContact OG-N 3.42Å; S1160-L1211 CarbonylContact O-C 3.29Å; S1160-L1211 VanDerWaalsContact O-CA 3.23Å; S1160-L1211 WeakPolarHBondContact O-CA 3.22Å; S1160-G1213 WeakPolarHBondContact O-CA 3.38Å; S1160-G1213 PolarHBondContact O-N 2.87Å; S1160-E1269 VanDerWaalsContact CB-O 3.29Å; S1160-E1269 WeakPolarHBondContact CB-O 3.35Å; S1160-E1269 PolarHBondContact OG-O 2.85Å | ||
| 1161 | T | 75.8 | Confident | 78 | Confident | 108 Ų | 108 | 35.8 Ų | 35.8 | 66% | 0.663 | 22% | 0.218 | S | C | * | . | trans | -126.3 | 7.9 | 167.1 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | G1213 | T1161-G1213 VanDerWaalsContact CG2-CA 3.49Š| ||
| 1162 | A | 72.6 | Confident | 78.6 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -71 | 123 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1160 L1211 E1269 | S1160-A1162 WeakPolarHBondContact OG-CB 3.43Å; S1160-A1162 PolarHBondContact OG-N 3.42Å; A1162-L1211 WeakPolarHBondContact O-CD1 3.36Å; A1162-E1269 HydrophobicContact CB-CB 3.84Å; A1162-E1269 HydrophobicContact CB-CG 4.01Å |
| 1163 | P | 61.4 | Low | 78.9 | Confident | 116 Ų | 116 | 34.2 Ų | 34.2 | 75% | 0.753 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -66.8 | 141.7 | 178 | 28.2 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 1164 | F | 60.8 | Low | 79.3 | Confident | 44 Ų | 44 | 33.6 Ų | 33.6 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 150.6 | -176.5 | -78.4 | -75.3 | 0 | 0 | 0 | 113.8 | H1167 S1169 L1186 S1187 E1188 L1211 | F1164-H1167 WeakPolarHBondContact CD1-O 3.45Å; F1164-S1169 WeakPolarHBondContact CE1-OG 3.39Å; F1164-L1186 HydrophobicContact CE1-CB 4.4Å; F1164-L1186 WeakPolarHBondContact CE1-O 3.27Å; F1164-L1186 VanDerWaalsContact CZ-C 3.41Å; F1164-L1186 HydrophobicContact CZ-CB 3.99Å; F1164-L1186 HydrophobicContact CZ-CD2 4.49Å; F1164-L1186 HydrophobicContact CZ-CG 4.07Å; F1164-L1186 VanDerWaalsContact CZ-O 3.26Å; F1164-L1186 WeakPolarHBondContact CZ-O 3.21Å; F1164-S1187 VanDerWaalsContact CE2-CA 3.44Å; F1164-E1188 HydrophobicContact CD2-CG 3.5Å; F1164-E1188 HydrophobicContact CE2-CG 3.89Å; F1164-L1211 HydrophobicContact CD2-CD1 3.52Å; F1164-L1211 HydrophobicContact CE2-CD1 3.15Å; F1164-L1211 HydrophobicContact CE2-CD2 4.27Å; F1164-L1211 HydrophobicContact CE2-CG 3.75Å; F1164-L1211 HydrophobicContact CZ-CD1 3.94Å; F1164-L1211 HydrophobicContact CZ-CD2 4.28Å; F1164-L1211 HydrophobicContact CZ-CG 4.23Å |
| 1165 | G | 61.1 | Low | 79.4 | Confident | 54 Ų | 54 | 34.9 Ų | 34.9 | 56% | 0.557 | 21% | 0.214 | S | C | * | . | trans | -76.6 | -151.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1167 D1266 | G1165-H1167 VanDerWaalsContact C-N 3.26Å; G1165-H1167 PolarHBondContact O-N 3.03Å; G1165-D1266 VanDerWaalsContact CA-OD2 3.26Å; G1165-D1266 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 1166 | A | 58.7 | Low | 79.7 | Confident | 91 Ų | 91 | 33 Ų | 33 | 75% | 0.752 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -78.9 | -9.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1266 | A1166-D1266 PolarHBondContact N-OD2 3.09Š|
| 1167 | H | 75.4 | Confident | 79.5 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 43% | 0.431 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -127.9 | 173.8 | -174.1 | -58 | -52.7 | 0 | 0 | 0 | 111.9 | F1164 G1165 D1266 | F1164-H1167 WeakPolarHBondContact CD1-O 3.45Å; G1165-H1167 VanDerWaalsContact C-N 3.26Å; G1165-H1167 PolarHBondContact O-N 3.03Å; H1167-D1266 WeakPolarHBondContact CA-OD2 3.49Å; H1167-D1266 HydrophobicContact CB-CB 4.48Å; H1167-D1266 IonicContact CD2-OD1 2.73Å; H1167-D1266 PolarHBondContact N-OD2 2.83Å |
| 1168 | R | 85 | Confident | 79.7 | Confident | 68 Ų | 68 | 52 Ų | 52 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.5 | 177.3 | -62.6 | -171.2 | -148.3 | 148.1 | 10.6 | 109.7 | R1185 L1186 S1192 E1203 S1265 D1266 | R1168-R1185 HydrophobicContact CB-CB 3.86Å; R1168-L1186 VanDerWaalsContact CA-O 3.3Å; R1168-L1186 WeakPolarHBondContact CA-O 3.29Å; R1168-L1186 WeakPolarHBondContact CB-O 3.31Å; R1168-S1192 PolarHBondContact NH1-OG 3.41Å; R1168-E1203 IonicContact CZ-OE1 2.79Å; R1168-E1203 IonicContact NH1-OE1 3.58Å; R1168-E1203 PolarHBondContact NH1-OE1 2.81Å; R1168-E1203 IonicContact NH2-OE1 3.59Å; R1168-S1265 CarbonylContact O-C 3.59Å; R1168-S1265 WeakPolarHBondContact O-CA 3.4Å; R1168-S1265 WeakPolarHBondContact O-CB 3.39Å; R1168-D1266 PolarHBondContact O-N 3.2Å |
| 1169 | S | 87.9 | Confident | 79.5 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 134.2 | -178.5 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | F1164 L1171 R1185 L1186 D1266 K1267 | F1164-S1169 WeakPolarHBondContact CE1-OG 3.39Å; S1169-L1171 PolarHBondContact O-N 3.46Å; S1169-R1185 CarbonylContact O-C 3.56Å; S1169-R1185 VanDerWaalsContact O-CA 3.23Å; S1169-R1185 WeakPolarHBondContact O-CA 3.12Å; S1169-L1186 PolarHBondContact N-O 2.97Å; S1169-L1186 PolarHBondContact O-N 2.77Å; S1169-D1266 CarbonylContact C-O 3.59Å; S1169-D1266 VanDerWaalsContact CA-O 3.3Å; S1169-D1266 WeakPolarHBondContact CA-O 3.24Å; S1169-K1267 WeakPolarHBondContact CB-O 3.36Å; S1169-K1267 PolarHBondContact OG-O 2.89Å |
| 1170 | L | 90.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 107 | -179.6 | -165.3 | 65.3 | 0 | 0 | 0 | 111.4 | A1173 N1183 R1185 G1254 L1261 M1262 D1266 Y1268 | L1170-A1173 HydrophobicContact CD1-CB 4.05Å; L1170-A1173 HydrophobicContact CD2-CB 3.95Å; L1170-A1173 HydrophobicContact CG-CB 4.19Å; L1170-N1183 HydrophobicContact CD1-CB 4.21Å; L1170-R1185 HydrophobicContact CD1-CG 3.73Å; L1170-G1254 CarbonylContact O-C 3.54Å; L1170-L1261 HydrophobicContact CD1-CD2 4.46Å; L1170-L1261 HydrophobicContact CD2-CD2 4.33Å; L1170-M1262 HydrophobicContact CD2-SD 3.85Å; L1170-D1266 PolarHBondContact N-O 3.32Å; L1170-Y1268 WeakPolarHBondContact O-CB 3.25Å |
| 1171 | L | 89.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -57.6 | 177 | -88 | 167.8 | 0 | 0 | 0 | 111.1 | F1156 F1158 S1169 I1184 L1186 L1191 I1253 G1254 Y1268 I1272 | F1156-L1171 HydrophobicContact CE2-CD2 4.43Å; F1158-L1171 HydrophobicContact CB-CD2 3.97Å; F1158-L1171 HydrophobicContact CD1-CD1 4.04Å; F1158-L1171 HydrophobicContact CD1-CD2 4.25Å; F1158-L1171 HydrophobicContact CD2-CD1 4.42Å; F1158-L1171 HydrophobicContact CD2-CD2 4.13Å; F1158-L1171 HydrophobicContact CE1-CD1 3.9Å; F1158-L1171 HydrophobicContact CE2-CD1 4.31Å; F1158-L1171 HydrophobicContact CG-CD1 4.3Å; F1158-L1171 HydrophobicContact CG-CD2 3.85Å; F1158-L1171 HydrophobicContact CZ-CD1 4.04Å; S1169-L1171 PolarHBondContact O-N 3.46Å; L1171-I1184 HydrophobicContact CB-CG2 4.17Å; L1171-I1184 HydrophobicContact CD1-CG2 4.07Å; L1171-I1184 PolarHBondContact N-O 3.46Å; L1171-L1186 HydrophobicContact CD1-CB 4.14Å; L1171-L1186 HydrophobicContact CD1-CD1 4.01Å; L1171-L1186 HydrophobicContact CD1-CD2 4.38Å; L1171-L1186 HydrophobicContact CD1-CG 4.43Å; L1171-L1186 HydrophobicContact CG-CB 4.43Å; L1171-L1191 HydrophobicContact CD1-CD1 4.03Å; L1171-I1253 WeakPolarHBondContact O-CA 3.5Å; L1171-G1254 PolarHBondContact O-N 3.05Å; L1171-Y1268 HydrophobicContact CD2-CD1 4.23Å; L1171-Y1268 HydrophobicContact CD2-CD2 3.49Å; L1171-Y1268 VanDerWaalsContact CD2-CD2 3.49Å; L1171-Y1268 HydrophobicContact CD2-CE1 4.2Å; L1171-Y1268 HydrophobicContact CD2-CE2 3.46Å; L1171-Y1268 VanDerWaalsContact CD2-CE2 3.46Å; L1171-Y1268 HydrophobicContact CD2-CG 3.88Å; L1171-Y1268 HydrophobicContact CG-CD2 4.02Å; L1171-Y1268 HydrophobicContact CG-CE2 4.31Å; L1171-I1272 HydrophobicContact CD2-CD1 3.97Å |
| 1172 | V | 91 | Very high | 81 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 139.2 | -177.2 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | F1156 F1182 N1183 I1184 L1251 W1252 I1253 | F1156-V1172 HydrophobicContact CD1-CG2 4.11Å; F1156-V1172 HydrophobicContact CE1-CB 4.37Å; F1156-V1172 HydrophobicContact CE1-CG2 3.63Å; F1156-V1172 HydrophobicContact CE2-CG2 4.1Å; F1156-V1172 HydrophobicContact CZ-CB 4.41Å; F1156-V1172 HydrophobicContact CZ-CG2 3.62Å; V1172-F1182 HydrophobicContact CG1-CE2 4.14Å; V1172-F1182 HydrophobicContact CG1-CZ 3.86Å; V1172-N1183 CarbonylContact O-C 3.57Å; V1172-N1183 WeakPolarHBondContact O-CA 3.36Å; V1172-I1184 PolarHBondContact N-O 3.17Å; V1172-I1184 PolarHBondContact O-N 3.33Å; V1172-L1251 HydrophobicContact CG1-CD1 3.49Å; V1172-L1251 VanDerWaalsContact CG1-CD1 3.49Å; V1172-L1251 HydrophobicContact CG1-CG 4.45Å; V1172-W1252 CarbonylContact C-O 3.54Å; V1172-W1252 VanDerWaalsContact CA-O 3.28Å; V1172-W1252 WeakPolarHBondContact CA-O 3.29Å; V1172-I1253 HydrophobicContact CG2-CG1 4.46Å |
| 1173 | A | 90.7 | Very high | 82 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 146.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1170 N1183 W1252 L1261 | L1170-A1173 HydrophobicContact CD1-CB 4.05Å; L1170-A1173 HydrophobicContact CD2-CB 3.95Å; L1170-A1173 HydrophobicContact CG-CB 4.19Å; A1173-N1183 HydrophobicContact CB-CB 3.8Å; A1173-W1252 PolarHBondContact N-O 3.38Å; A1173-W1252 PolarHBondContact O-N 3.33Å; A1173-L1261 HydrophobicContact CB-CD1 4.38Å; A1173-L1261 HydrophobicContact CB-CD2 3.86Å |
| 1174 | M | 89.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 114.2 | 169.3 | -176 | 168 | 65.4 | 0 | 0 | 109.1 | M1136 G1181 F1182 L1246 N1249 L1250 L1251 | M1136-M1174 HydrophobicContact CG-SD 3.65Å; M1174-G1181 CarbonylContact O-C 3.56Å; M1174-G1181 VanDerWaalsContact O-CA 3.25Å; M1174-G1181 WeakPolarHBondContact O-CA 3.44Å; M1174-F1182 HydrophobicContact CB-CD1 4.14Å; M1174-F1182 HydrophobicContact CB-CE1 3.92Å; M1174-F1182 HydrophobicContact CE-CD1 4.28Å; M1174-F1182 HydrophobicContact CE-CE1 3.98Å; M1174-F1182 PolarHBondContact N-O 3.28Å; M1174-F1182 PolarHBondContact O-N 2.88Å; M1174-F1182 VanDerWaalsContact O-O 3.09Å; M1174-L1246 HydrophobicContact CE-CB 3.58Å; M1174-L1246 HydrophobicContact CE-CD2 3.29Å; M1174-L1246 HydrophobicContact CE-CG 3.89Å; M1174-N1249 HydrophobicContact CG-CB 3.38Å; M1174-N1249 HydrophobicContact SD-CB 3.75Å; M1174-L1250 WeakPolarHBondContact CG-O 3.16Å; M1174-L1251 HydrophobicContact CB-CD1 4.08Å; M1174-L1251 HydrophobicContact SD-CB 4.13Å |
| 1175 | V | 86.7 | Confident | 85 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 134.9 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | L1261 | V1175-L1261 HydrophobicContact CB-CD1 4.19Å; V1175-L1261 HydrophobicContact CG2-CD1 3.94Å; V1175-L1261 HydrophobicContact CG2-CD2 4.24Å; V1175-L1261 HydrophobicContact CG2-CG 4.38Å |
| 1176 | N | 84.7 | Confident | 86.4 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | trans | -86.6 | 172 | 177.6 | 80.7 | 6.5 | 0 | 0 | 0 | 112.5 | R1178 G1179 V1180 N1249 | N1176-R1178 PolarHBondContact O-N 3.05Å; N1176-R1178 WeakPolarHBondContact OD1-CA 3.29Å; N1176-R1178 WeakPolarHBondContact OD1-CB 3.24Å; N1176-R1178 PolarHBondContact OD1-N 2.94Å; N1176-G1179 PolarHBondContact O-N 3.14Å; N1176-G1179 PolarHBondContact OD1-N 2.55Å; N1176-V1180 PolarHBondContact N-O 2.81Å; N1176-V1180 WeakPolarHBondContact OD1-CB 3.46Å; N1176-V1180 PolarHBondContact OD1-N 2.88Å; N1176-V1180 PolarHBondContact OD1-O 2.95Å; N1176-N1249 WeakPolarHBondContact CA-OD1 3.1Å; N1176-N1249 WeakPolarHBondContact CB-OD1 3.01Å | ||
| 1177 | Q | 80 | Confident | 87.6 | Confident | 209 Ų | 209 | 34.9 Ų | 34.9 | 98% | 0.977 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12 | 179.4 | -64.7 | -176.8 | -10.2 | 0 | 0 | 115 | ||
| 1178 | R | 82.5 | Confident | 87.7 | Confident | 195 Ų | 195 | 35.9 Ų | 35.9 | 74% | 0.736 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 5.6 | 175.4 | -59.9 | 179.9 | 179.9 | -171.8 | 3.9 | 112.9 | N1176 V1180 | N1176-R1178 PolarHBondContact O-N 3.05Å; N1176-R1178 WeakPolarHBondContact OD1-CA 3.29Å; N1176-R1178 WeakPolarHBondContact OD1-CB 3.24Å; N1176-R1178 PolarHBondContact OD1-N 2.94Å; R1178-V1180 VanDerWaalsContact C-N 3.31Å |
| 1179 | G | 81.9 | Confident | 87.6 | Confident | 28 Ų | 28 | 38 Ų | 38 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 78.8 | 8.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | N1176 R1196 | N1176-G1179 PolarHBondContact O-N 3.14Å; N1176-G1179 PolarHBondContact OD1-N 2.55Å; G1179-R1196 WeakPolarHBondContact O-CB 3.45Å; G1179-R1196 VanDerWaalsContact O-CD 3.23Å; G1179-R1196 WeakPolarHBondContact O-CD 3.45Å |
| 1180 | V | 88.7 | Confident | 87.6 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | trans | -89.9 | 135.7 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | N1176 R1178 R1196 Y1198 L1242 Q1245 | N1176-V1180 PolarHBondContact N-O 2.81Å; N1176-V1180 WeakPolarHBondContact OD1-CB 3.46Å; N1176-V1180 PolarHBondContact OD1-N 2.88Å; N1176-V1180 PolarHBondContact OD1-O 2.95Å; R1178-V1180 VanDerWaalsContact C-N 3.31Å; V1180-R1196 CarbonylContact C-O 3.51Å; V1180-R1196 VanDerWaalsContact CA-O 3.31Å; V1180-R1196 WeakPolarHBondContact CA-O 3.3Å; V1180-R1196 VanDerWaalsContact CG1-O 3.3Å; V1180-R1196 WeakPolarHBondContact CG1-O 3.31Å; V1180-Y1198 HydrophobicContact CG1-CD2 4.48Å; V1180-Y1198 HydrophobicContact CG1-CE2 4.39Å; V1180-Y1198 HydrophobicContact CG2-CD1 3.76Å; V1180-Y1198 HydrophobicContact CG2-CD2 4.49Å; V1180-Y1198 HydrophobicContact CG2-CE1 3.89Å; V1180-Y1198 HydrophobicContact CG2-CG 4.07Å; V1180-L1242 HydrophobicContact CG1-CD2 4.07Å; V1180-Q1245 HydrophobicContact CG1-CB 4.3Å; V1180-Q1245 HydrophobicContact CG1-CG 4.01Å | ||
| 1181 | G | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.4 | -153.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1174 R1196 L1242 | M1174-G1181 CarbonylContact O-C 3.56Å; M1174-G1181 VanDerWaalsContact O-CA 3.25Å; M1174-G1181 WeakPolarHBondContact O-CA 3.44Å; G1181-R1196 PolarHBondContact N-O 2.93Å; G1181-R1196 PolarHBondContact O-N 2.88Å; G1181-L1242 WeakPolarHBondContact O-CD1 3.08Å |
| 1182 | F | 92.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 159.3 | 178.9 | 86.9 | -78.4 | 0 | 0 | 0 | 112.5 | I1154 V1172 M1174 I1184 E1194 F1195 V1220 F1222 L1242 L1251 | I1154-F1182 HydrophobicContact CD1-CE1 3.92Å; I1154-F1182 HydrophobicContact CD1-CZ 3.87Å; V1172-F1182 HydrophobicContact CG1-CE2 4.14Å; V1172-F1182 HydrophobicContact CG1-CZ 3.86Å; M1174-F1182 HydrophobicContact CB-CD1 4.14Å; M1174-F1182 HydrophobicContact CB-CE1 3.92Å; M1174-F1182 HydrophobicContact CE-CD1 4.28Å; M1174-F1182 HydrophobicContact CE-CE1 3.98Å; M1174-F1182 PolarHBondContact N-O 3.28Å; M1174-F1182 PolarHBondContact O-N 2.88Å; M1174-F1182 VanDerWaalsContact O-O 3.09Å; F1182-I1184 HydrophobicContact CD2-CG1 4.3Å; F1182-I1184 HydrophobicContact CE2-CD1 4.11Å; F1182-I1184 HydrophobicContact CE2-CG1 4.23Å; F1182-E1194 CarbonylContact C-O 3.49Å; F1182-E1194 WeakPolarHBondContact CA-O 3.46Å; F1182-F1195 HydrophobicContact CB-CD1 4.08Å; F1182-F1195 HydrophobicContact CB-CE1 4.35Å; F1182-V1220 HydrophobicContact CE2-CG2 4.39Å; F1182-F1222 HydrophobicContact CB-CE1 4.27Å; F1182-F1222 HydrophobicContact CB-CZ 4.37Å; F1182-F1222 AromaticContact CD1-CE1 3.94Å; F1182-F1222 HydrophobicContact CD1-CE1 3.94Å; F1182-F1222 HydrophobicContact CD1-CE2 4.3Å; F1182-F1222 AromaticContact CD1-CZ 3.38Å; F1182-F1222 HydrophobicContact CD1-CZ 3.38Å; F1182-F1222 HydrophobicContact CD2-CZ 4.04Å; F1182-F1222 HydrophobicContact CE1-CE1 4.48Å; F1182-F1222 HydrophobicContact CE1-CE2 4.03Å; F1182-F1222 AromaticContact CE1-CZ 3.52Å; F1182-F1222 HydrophobicContact CE1-CZ 3.52Å; F1182-F1222 HydrophobicContact CE2-CZ 4.16Å; F1182-F1222 HydrophobicContact CG-CE1 4.05Å; F1182-F1222 AromaticContact CG-CZ 3.66Å; F1182-F1222 HydrophobicContact CG-CZ 3.66Å; F1182-F1222 HydrophobicContact CZ-CE2 4.34Å; F1182-F1222 AromaticContact CZ-CZ 3.92Å; F1182-F1222 HydrophobicContact CZ-CZ 3.92Å; F1182-L1242 HydrophobicContact CB-CD1 4.19Å; F1182-L1251 HydrophobicContact CE1-CD1 4.29Å; F1182-L1251 HydrophobicContact CZ-CD1 4.16Å |
| 1183 | N | 92.6 | Very high | 87.8 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157 | 165.7 | 66 | 75.3 | 0 | 0 | 0 | 111.9 | L1170 V1172 A1173 R1185 A1193 E1194 L1261 | L1170-N1183 HydrophobicContact CD1-CB 4.21Å; V1172-N1183 CarbonylContact O-C 3.57Å; V1172-N1183 WeakPolarHBondContact O-CA 3.36Å; A1173-N1183 HydrophobicContact CB-CB 3.8Å; N1183-R1185 PolarHBondContact ND2-NH1 2.94Å; N1183-R1185 PolarHBondContact OD1-NH1 3.02Å; N1183-A1193 CarbonylContact O-C 3.56Å; N1183-A1193 WeakPolarHBondContact O-CA 3.35Å; N1183-E1194 PolarHBondContact N-O 3.11Å; N1183-E1194 PolarHBondContact ND2-OE2 2.82Å; N1183-E1194 PolarHBondContact O-N 3.44Å; N1183-L1261 HydrophobicContact CB-CD2 4.29Å |
| 1184 | I | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 126.8 | 179.2 | -65.5 | 175.5 | 0 | 0 | 0 | 108.7 | F1156 L1171 V1172 F1182 L1191 S1192 A1193 V1218 V1220 I1229 | F1156-I1184 HydrophobicContact CE1-CD1 4.41Å; F1156-I1184 HydrophobicContact CZ-CD1 4.4Å; L1171-I1184 HydrophobicContact CB-CG2 4.17Å; L1171-I1184 HydrophobicContact CD1-CG2 4.07Å; L1171-I1184 PolarHBondContact N-O 3.46Å; V1172-I1184 PolarHBondContact N-O 3.17Å; V1172-I1184 PolarHBondContact O-N 3.33Å; F1182-I1184 HydrophobicContact CD2-CG1 4.3Å; F1182-I1184 HydrophobicContact CE2-CD1 4.11Å; F1182-I1184 HydrophobicContact CE2-CG1 4.23Å; I1184-L1191 HydrophobicContact CG2-CD1 3.74Å; I1184-L1191 HydrophobicContact CG2-CD2 3.75Å; I1184-L1191 HydrophobicContact CG2-CG 3.83Å; I1184-S1192 WeakPolarHBondContact CA-O 3.4Å; I1184-A1193 HydrophobicContact CG1-CB 4.07Å; I1184-V1218 HydrophobicContact CD1-CG1 4.07Å; I1184-V1220 HydrophobicContact CD1-CG2 3.63Å; I1184-I1229 HydrophobicContact CD1-CD1 3.67Å; I1184-I1229 HydrophobicContact CG1-CD1 4.12Å |
| 1185 | R | 92.3 | Very high | 88.2 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 11% | 0.106 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139.3 | -177.7 | -60.6 | 171.7 | 175 | 120.4 | -10.2 | 111.2 | R1168 S1169 L1170 N1183 S1192 E1194 S1265 | R1168-R1185 HydrophobicContact CB-CB 3.86Å; S1169-R1185 CarbonylContact O-C 3.56Å; S1169-R1185 VanDerWaalsContact O-CA 3.23Å; S1169-R1185 WeakPolarHBondContact O-CA 3.12Å; L1170-R1185 HydrophobicContact CD1-CG 3.73Å; N1183-R1185 PolarHBondContact ND2-NH1 2.94Å; N1183-R1185 PolarHBondContact OD1-NH1 3.02Å; R1185-S1192 PolarHBondContact N-O 2.91Å; R1185-S1192 PolarHBondContact O-N 3.09Å; R1185-S1192 PolarHBondContact O-OG 3.15Å; R1185-S1192 VanDerWaalsContact O-OG 3.1Å; R1185-E1194 IonicContact CZ-OE2 3.82Å; R1185-E1194 IonicContact NH1-OE2 3.83Å; R1185-E1194 PolarHBondContact NH1-OE2 2.89Å; R1185-S1265 WeakPolarHBondContact CD-OG 3.32Å; R1185-S1265 PolarHBondContact NE-OG 3.23Å |
| 1186 | L | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.5 | -176.4 | -157 | 60.8 | 0 | 0 | 0 | 112 | F1158 F1164 R1168 S1169 L1171 L1191 F1210 L1211 Y1268 | F1158-L1186 HydrophobicContact CD2-CD2 4.29Å; F1158-L1186 HydrophobicContact CE2-CD1 3.92Å; F1158-L1186 HydrophobicContact CE2-CD2 3.69Å; F1158-L1186 HydrophobicContact CE2-CG 4.48Å; F1158-L1186 HydrophobicContact CZ-CD1 3.79Å; F1158-L1186 HydrophobicContact CZ-CD2 4.4Å; F1164-L1186 HydrophobicContact CE1-CB 4.4Å; F1164-L1186 WeakPolarHBondContact CE1-O 3.27Å; F1164-L1186 VanDerWaalsContact CZ-C 3.41Å; F1164-L1186 HydrophobicContact CZ-CB 3.99Å; F1164-L1186 HydrophobicContact CZ-CD2 4.49Å; F1164-L1186 HydrophobicContact CZ-CG 4.07Å; F1164-L1186 VanDerWaalsContact CZ-O 3.26Å; F1164-L1186 WeakPolarHBondContact CZ-O 3.21Å; R1168-L1186 VanDerWaalsContact CA-O 3.3Å; R1168-L1186 WeakPolarHBondContact CA-O 3.29Å; R1168-L1186 WeakPolarHBondContact CB-O 3.31Å; S1169-L1186 PolarHBondContact N-O 2.97Å; S1169-L1186 PolarHBondContact O-N 2.77Å; L1171-L1186 HydrophobicContact CD1-CB 4.14Å; L1171-L1186 HydrophobicContact CD1-CD1 4.01Å; L1171-L1186 HydrophobicContact CD1-CD2 4.38Å; L1171-L1186 HydrophobicContact CD1-CG 4.43Å; L1171-L1186 HydrophobicContact CG-CB 4.43Å; L1186-L1191 HydrophobicContact CD1-CB 4.23Å; L1186-L1191 HydrophobicContact CD1-CD1 4.13Å; L1186-L1191 HydrophobicContact CD1-CG 4.43Å; L1186-F1210 HydrophobicContact CD1-CB 3.57Å; L1186-F1210 HydrophobicContact CD1-CD2 4.14Å; L1186-F1210 HydrophobicContact CD1-CG 4.08Å; L1186-F1210 HydrophobicContact CD2-CB 4.5Å; L1186-F1210 HydrophobicContact CG-CB 4.32Å; L1186-L1211 HydrophobicContact CD2-CD2 3.79Å; L1186-Y1268 HydrophobicContact CD2-CD2 4.33Å; L1186-Y1268 HydrophobicContact CD2-CE2 3.98Å |
| 1187 | S | 84.4 | Confident | 88.5 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | trans | -142.8 | 165.3 | 171.7 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | F1164 L1189 F1190 | F1164-S1187 VanDerWaalsContact CE2-CA 3.44Å; S1187-L1189 PolarHBondContact O-N 2.93Å; S1187-F1190 WeakPolarHBondContact CA-O 3.42Å; S1187-F1190 VanDerWaalsContact CB-O 3.26Å; S1187-F1190 WeakPolarHBondContact CB-O 3.28Å; S1187-F1190 PolarHBondContact N-O 2.97Å | ||
| 1188 | E | 77.7 | Confident | 88.7 | Confident | 115 Ų | 115 | 39 Ų | 39 | 54% | 0.537 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -59.3 | -31.3 | -175.4 | -61.6 | -173.5 | 158.6 | 0 | 0 | 113.5 | F1164 L1211 | F1164-E1188 HydrophobicContact CD2-CG 3.5Å; F1164-E1188 HydrophobicContact CE2-CG 3.89Å; E1188-L1211 HydrophobicContact CG-CD1 4.47Å |
| 1189 | L | 82.4 | Confident | 88.9 | Confident | 113 Ų | 113 | 40.7 Ų | 40.7 | 59% | 0.592 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -119.6 | -6.3 | -169.9 | -60.7 | 176.1 | 0 | 0 | 0 | 113.9 | S1187 N1207 G1208 | S1187-L1189 PolarHBondContact O-N 2.93Å; L1189-N1207 WeakPolarHBondContact O-CA 3.41Å; L1189-G1208 CarbonylContact C-O 3.59Å; L1189-G1208 WeakPolarHBondContact CA-O 3.16Å; L1189-G1208 PolarHBondContact O-N 2.83Å; L1189-G1208 VanDerWaalsContact O-O 3.07Å |
| 1190 | F | 88.1 | Confident | 89.1 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 156.5 | 179.8 | 64 | -87.6 | 0 | 0 | 0 | 112.5 | S1187 K1205 M1206 G1208 | S1187-F1190 WeakPolarHBondContact CA-O 3.42Å; S1187-F1190 VanDerWaalsContact CB-O 3.26Å; S1187-F1190 WeakPolarHBondContact CB-O 3.28Å; S1187-F1190 PolarHBondContact N-O 2.97Å; F1190-K1205 HydrophobicContact CD2-CB 4.35Å; F1190-K1205 HydrophobicContact CD2-CD 4.12Å; F1190-K1205 HydrophobicContact CD2-CG 4.07Å; F1190-K1205 HydrophobicContact CE2-CD 4.01Å; F1190-K1205 HydrophobicContact CE2-CG 4.3Å; F1190-M1206 CarbonylContact C-O 3.54Å; F1190-M1206 WeakPolarHBondContact CA-O 3.41Å; F1190-M1206 WeakPolarHBondContact CB-O 3.43Å; F1190-G1208 PolarHBondContact N-O 3.22Å |
| 1191 | L | 90.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.9 | 164.4 | 179.3 | 152.8 | 0 | 0 | 0 | 108.4 | F1158 L1171 I1184 L1186 A1193 K1205 M1206 F1210 I1229 I1231 | F1158-L1191 HydrophobicContact CE1-CD1 4.24Å; F1158-L1191 HydrophobicContact CZ-CD1 4.34Å; L1171-L1191 HydrophobicContact CD1-CD1 4.03Å; I1184-L1191 HydrophobicContact CG2-CD1 3.74Å; I1184-L1191 HydrophobicContact CG2-CD2 3.75Å; I1184-L1191 HydrophobicContact CG2-CG 3.83Å; L1186-L1191 HydrophobicContact CD1-CB 4.23Å; L1186-L1191 HydrophobicContact CD1-CD1 4.13Å; L1186-L1191 HydrophobicContact CD1-CG 4.43Å; L1191-A1193 HydrophobicContact CD2-CB 4.45Å; L1191-K1205 WeakPolarHBondContact O-CA 3.41Å; L1191-M1206 HydrophobicContact CD2-CE 3.71Å; L1191-M1206 PolarHBondContact N-O 2.86Å; L1191-M1206 PolarHBondContact O-N 3.45Å; L1191-F1210 HydrophobicContact CB-CD2 4.04Å; L1191-F1210 HydrophobicContact CB-CE2 3.79Å; L1191-F1210 HydrophobicContact CB-CZ 4.4Å; L1191-I1229 HydrophobicContact CD2-CD1 4.08Å; L1191-I1231 HydrophobicContact CD1-CD1 3.69Å |
| 1192 | S | 90.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.3 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 111 | R1168 I1184 R1185 E1204 | R1168-S1192 PolarHBondContact NH1-OG 3.41Å; I1184-S1192 WeakPolarHBondContact CA-O 3.4Å; R1185-S1192 PolarHBondContact N-O 2.91Å; R1185-S1192 PolarHBondContact O-N 3.09Å; R1185-S1192 PolarHBondContact O-OG 3.15Å; R1185-S1192 VanDerWaalsContact O-OG 3.1Å; S1192-E1204 CarbonylContact C-O 3.4Å; S1192-E1204 WeakPolarHBondContact CA-O 3.42Å |
| 1193 | A | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | N1183 I1184 L1191 F1195 E1203 E1204 I1229 | N1183-A1193 CarbonylContact O-C 3.56Å; N1183-A1193 WeakPolarHBondContact O-CA 3.35Å; I1184-A1193 HydrophobicContact CG1-CB 4.07Å; L1191-A1193 HydrophobicContact CD2-CB 4.45Å; A1193-F1195 HydrophobicContact CB-CE2 3.84Å; A1193-E1203 WeakPolarHBondContact O-CA 3.39Å; A1193-E1204 PolarHBondContact N-O 2.7Å; A1193-E1204 PolarHBondContact O-N 3.43Å; A1193-I1229 HydrophobicContact CB-CD1 3.36Å; A1193-I1229 HydrophobicContact CB-CG2 4.39Å |
| 1194 | E | 93.1 | Very high | 89.2 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.7 | -177.9 | -176.1 | -178.4 | -160 | 0 | 0 | 109.7 | F1182 N1183 R1185 R1196 T1202 | F1182-E1194 CarbonylContact C-O 3.49Å; F1182-E1194 WeakPolarHBondContact CA-O 3.46Å; N1183-E1194 PolarHBondContact N-O 3.11Å; N1183-E1194 PolarHBondContact ND2-OE2 2.82Å; N1183-E1194 PolarHBondContact O-N 3.44Å; R1185-E1194 IonicContact CZ-OE2 3.82Å; R1185-E1194 IonicContact NH1-OE2 3.83Å; R1185-E1194 PolarHBondContact NH1-OE2 2.89Å; E1194-R1196 HydrophobicContact CG-CG 4.34Å; E1194-R1196 IonicContact OE1-CZ 3.16Å; E1194-R1196 IonicContact OE1-NE 2.8Å; E1194-R1196 PolarHBondContact OE1-NE 3.16Å; E1194-R1196 IonicContact OE1-NH2 2.69Å; E1194-R1196 PolarHBondContact OE1-NH2 3.12Å; E1194-R1196 IonicContact OE2-NE 3.86Å; E1194-R1196 IonicContact OE2-NH2 3.62Å; E1194-T1202 WeakPolarHBondContact CA-O 3.43Å |
| 1195 | F | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.1 | 177.8 | -65 | -95.9 | 0 | 0 | 0 | 109.1 | F1182 A1193 S1201 T1202 V1220 F1222 I1229 V1238 I1240 L1242 | F1182-F1195 HydrophobicContact CB-CD1 4.08Å; F1182-F1195 HydrophobicContact CB-CE1 4.35Å; A1193-F1195 HydrophobicContact CB-CE2 3.84Å; F1195-S1201 CarbonylContact O-C 3.4Å; F1195-S1201 VanDerWaalsContact O-CA 3.28Å; F1195-S1201 WeakPolarHBondContact O-CA 3.33Å; F1195-T1202 PolarHBondContact N-O 3.22Å; F1195-T1202 PolarHBondContact O-N 3.03Å; F1195-V1220 HydrophobicContact CE1-CG1 4.08Å; F1195-V1220 HydrophobicContact CZ-CG1 4.12Å; F1195-F1222 HydrophobicContact CD1-CE1 4.24Å; F1195-F1222 AromaticContact CE1-CE1 3.84Å; F1195-F1222 HydrophobicContact CE1-CE1 3.84Å; F1195-F1222 HydrophobicContact CE1-CZ 4.47Å; F1195-I1229 HydrophobicContact CE2-CG2 4.26Å; F1195-I1229 HydrophobicContact CZ-CB 4.14Å; F1195-I1229 HydrophobicContact CZ-CG2 4.36Å; F1195-V1238 HydrophobicContact CB-CG1 4.14Å; F1195-V1238 HydrophobicContact CD2-CB 4.38Å; F1195-V1238 HydrophobicContact CD2-CG1 4.26Å; F1195-V1238 HydrophobicContact CD2-CG2 3.96Å; F1195-V1238 HydrophobicContact CE2-CG2 4.01Å; F1195-V1238 HydrophobicContact CG-CG1 4.23Å; F1195-I1240 HydrophobicContact CB-CD1 4.12Å; F1195-I1240 WeakPolarHBondContact O-CD1 3.44Å; F1195-L1242 HydrophobicContact CD1-CD1 4.02Å |
| 1196 | R | 91.1 | Very high | 88.9 | Confident | 101 Ų | 101 | 58 Ų | 58 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 105.3 | -178.6 | -72.8 | 179.6 | -179.3 | -168.5 | 4.6 | 110.4 | G1179 V1180 G1181 E1194 S1201 L1242 | G1179-R1196 WeakPolarHBondContact O-CB 3.45Å; G1179-R1196 VanDerWaalsContact O-CD 3.23Å; G1179-R1196 WeakPolarHBondContact O-CD 3.45Å; V1180-R1196 CarbonylContact C-O 3.51Å; V1180-R1196 VanDerWaalsContact CA-O 3.31Å; V1180-R1196 WeakPolarHBondContact CA-O 3.3Å; V1180-R1196 VanDerWaalsContact CG1-O 3.3Å; V1180-R1196 WeakPolarHBondContact CG1-O 3.31Å; G1181-R1196 PolarHBondContact N-O 2.93Å; G1181-R1196 PolarHBondContact O-N 2.88Å; E1194-R1196 HydrophobicContact CG-CG 4.34Å; E1194-R1196 IonicContact OE1-CZ 3.16Å; E1194-R1196 IonicContact OE1-NE 2.8Å; E1194-R1196 PolarHBondContact OE1-NE 3.16Å; E1194-R1196 IonicContact OE1-NH2 2.69Å; E1194-R1196 PolarHBondContact OE1-NH2 3.12Å; E1194-R1196 IonicContact OE2-NE 3.86Å; E1194-R1196 IonicContact OE2-NH2 3.62Å; R1196-S1201 WeakPolarHBondContact CG-OG 3.4Å; R1196-L1242 WeakPolarHBondContact O-CD2 3.28Å |
| 1197 | G | 88.2 | Confident | 88.8 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | trans | -89.7 | 176.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1199 K1200 | G1197-Y1199 VanDerWaalsContact C-N 3.28Å; G1197-Y1199 PolarHBondContact O-N 2.84Å; G1197-K1200 WeakPolarHBondContact CA-O 3.35Å; G1197-K1200 PolarHBondContact N-O 2.84Å | ||
| 1198 | Y | 84.4 | Confident | 88.6 | Confident | 110 Ų | 110 | 63.2 Ų | 63.2 | 43% | 0.431 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -59.7 | -31.7 | -179.5 | -79.5 | -72.3 | 0 | 0 | 0 | 115.2 | V1180 Q1245 | V1180-Y1198 HydrophobicContact CG1-CD2 4.48Å; V1180-Y1198 HydrophobicContact CG1-CE2 4.39Å; V1180-Y1198 HydrophobicContact CG2-CD1 3.76Å; V1180-Y1198 HydrophobicContact CG2-CD2 4.49Å; V1180-Y1198 HydrophobicContact CG2-CE1 3.89Å; V1180-Y1198 HydrophobicContact CG2-CG 4.07Å; Y1198-Q1245 HydrophobicContact CE2-CG 3.95Å |
| 1199 | Y | 85.3 | Confident | 88.7 | Confident | 232 Ų | 232 | 65.1 Ų | 65.1 | 91% | 0.91 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -123.5 | -2.9 | -173.4 | -54 | -69.4 | 0 | 0 | 0 | 113.8 | G1197 | G1197-Y1199 VanDerWaalsContact C-N 3.28Å; G1197-Y1199 PolarHBondContact O-N 2.84Å |
| 1200 | K | 86.9 | Confident | 88.7 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | trans | -153.6 | 140.3 | -172.6 | -173.4 | -177.8 | 173.5 | -169.7 | 0 | 110.5 | G1197 I1240 | G1197-K1200 WeakPolarHBondContact CA-O 3.35Å; G1197-K1200 PolarHBondContact N-O 2.84Å; K1200-I1240 HydrophobicContact CB-CD1 4.43Å; K1200-I1240 HydrophobicContact CD-CD1 4.41Å; K1200-I1240 HydrophobicContact CD-CG1 4.19Å; K1200-I1240 HydrophobicContact CG-CD1 4.18Å; K1200-I1240 HydrophobicContact CG-CG1 4.43Å | ||
| 1201 | S | 89.6 | Confident | 88.3 | Confident | 70 Ų | 70 | 60 Ų | 60 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.2 | 170.9 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | F1195 R1196 | F1195-S1201 CarbonylContact O-C 3.4Å; F1195-S1201 VanDerWaalsContact O-CA 3.28Å; F1195-S1201 WeakPolarHBondContact O-CA 3.33Å; R1196-S1201 WeakPolarHBondContact CG-OG 3.4Å |
| 1202 | T | 91.4 | Very high | 87.4 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.6 | 176.4 | -49.1 | 0 | 0 | 0 | 0 | 109.6 | E1194 F1195 E1204 V1238 I1240 | E1194-T1202 WeakPolarHBondContact CA-O 3.43Å; F1195-T1202 PolarHBondContact N-O 3.22Å; F1195-T1202 PolarHBondContact O-N 3.03Å; T1202-E1204 HydrophobicContact CG2-CG 4.44Å; T1202-V1238 HydrophobicContact CG2-CG1 4.29Å; T1202-I1240 WeakPolarHBondContact OG1-CD1 3.18Å |
| 1203 | E | 92.8 | Very high | 86.4 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.3 | 167.8 | -176.8 | -166.7 | -150.8 | 0 | 0 | 108.4 | R1168 A1193 K1205 | R1168-E1203 IonicContact CZ-OE1 2.79Å; R1168-E1203 IonicContact NH1-OE1 3.58Å; R1168-E1203 PolarHBondContact NH1-OE1 2.81Å; R1168-E1203 IonicContact NH2-OE1 3.59Å; A1193-E1203 WeakPolarHBondContact O-CA 3.39Å; E1203-K1205 WeakPolarHBondContact OE1-CE 3.36Å; E1203-K1205 IonicContact OE1-NZ 3.7Å; E1203-K1205 WeakPolarHBondContact OE2-CE 3.3Å; E1203-K1205 IonicContact OE2-NZ 3.47Å; E1203-K1205 PolarHBondContact OE2-NZ 3.22Å; E1203-K1205 VanDerWaalsContact OE2-NZ 3.08Å |
| 1204 | E | 91.6 | Very high | 85.1 | Confident | 41 Ų | 41 | 69 Ų | 69 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 139.9 | 171 | -74.5 | -62.8 | 142.8 | 0 | 0 | 110.2 | S1192 A1193 T1202 K1236 V1238 | S1192-E1204 CarbonylContact C-O 3.4Å; S1192-E1204 WeakPolarHBondContact CA-O 3.42Å; A1193-E1204 PolarHBondContact N-O 2.7Å; A1193-E1204 PolarHBondContact O-N 3.43Å; T1202-E1204 HydrophobicContact CG2-CG 4.44Å; E1204-K1236 HydrophobicContact CB-CB 4.44Å; E1204-K1236 HydrophobicContact CB-CG 4.41Å; E1204-K1236 HydrophobicContact CG-CB 4.12Å; E1204-K1236 HydrophobicContact CG-CG 4.35Å; E1204-K1236 IonicContact OE2-NZ 3.38Å; E1204-K1236 PolarHBondContact OE2-NZ 3.17Å; E1204-V1238 HydrophobicContact CG-CG2 3.7Å |
| 1205 | K | 91.3 | Very high | 83.9 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.8 | 175.1 | -67.3 | 178 | -173.4 | 160.1 | 0 | 110 | F1190 L1191 E1203 | F1190-K1205 HydrophobicContact CD2-CB 4.35Å; F1190-K1205 HydrophobicContact CD2-CD 4.12Å; F1190-K1205 HydrophobicContact CD2-CG 4.07Å; F1190-K1205 HydrophobicContact CE2-CD 4.01Å; F1190-K1205 HydrophobicContact CE2-CG 4.3Å; L1191-K1205 WeakPolarHBondContact O-CA 3.41Å; E1203-K1205 WeakPolarHBondContact OE1-CE 3.36Å; E1203-K1205 IonicContact OE1-NZ 3.7Å; E1203-K1205 WeakPolarHBondContact OE2-CE 3.3Å; E1203-K1205 IonicContact OE2-NZ 3.47Å; E1203-K1205 PolarHBondContact OE2-NZ 3.22Å; E1203-K1205 VanDerWaalsContact OE2-NZ 3.08Å |
| 1206 | M | 88.5 | Confident | 83.2 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.9 | 177.6 | -61.9 | -174.4 | -64.7 | 0 | 0 | 107.6 | F1190 L1191 I1229 I1231 K1236 | F1190-M1206 CarbonylContact C-O 3.54Å; F1190-M1206 WeakPolarHBondContact CA-O 3.41Å; F1190-M1206 WeakPolarHBondContact CB-O 3.43Å; L1191-M1206 HydrophobicContact CD2-CE 3.71Å; L1191-M1206 PolarHBondContact N-O 2.86Å; L1191-M1206 PolarHBondContact O-N 3.45Å; M1206-I1229 HydrophobicContact CE-CD1 3.71Å; M1206-I1229 HydrophobicContact CE-CG1 3.83Å; M1206-I1229 HydrophobicContact CE-CG2 4.07Å; M1206-I1229 HydrophobicContact SD-CG2 4.26Å; M1206-I1231 HydrophobicContact CB-CG2 4.13Å; M1206-I1231 HydrophobicContact CE-CB 4.01Å; M1206-I1231 HydrophobicContact CE-CG2 3.49Å; M1206-I1231 VanDerWaalsContact CE-CG2 3.49Å; M1206-I1231 HydrophobicContact SD-CG2 3.86Å; M1206-K1236 HydrophobicContact CG-CG 4.2Å; M1206-K1236 HydrophobicContact SD-CG 4.24Å |
| 1207 | N | 87.6 | Confident | 82.7 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 60% | 0.604 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 134 | -173.6 | -65.9 | -20 | 0 | 0 | 0 | 110.4 | L1189 Q1234 | L1189-N1207 WeakPolarHBondContact O-CA 3.41Å; N1207-Q1234 PolarHBondContact O-NE2 2.7Å |
| 1208 | G | 80.3 | Confident | 82.6 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | trans | 176.3 | 155.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1189 F1190 F1210 | L1189-G1208 CarbonylContact C-O 3.59Å; L1189-G1208 WeakPolarHBondContact CA-O 3.16Å; L1189-G1208 PolarHBondContact O-N 2.83Å; L1189-G1208 VanDerWaalsContact O-O 3.07Å; F1190-G1208 PolarHBondContact N-O 3.22Å; G1208-F1210 WeakPolarHBondContact O-CD2 3.32Å; G1208-F1210 WeakPolarHBondContact O-CE2 3.42Å | ||
| 1209 | K | 81.2 | Confident | 82.5 | Confident | 155 Ų | 155 | 66.2 Ų | 66.2 | 67% | 0.674 | 32% | 0.324 | S | S | * | . | trans | -83.5 | 119.6 | 167 | -65.5 | -176.5 | -179.7 | -176.7 | 0 | 106.7 | ||||
| 1210 | F | 82.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | trans | -123.7 | 7 | -176.3 | -56.7 | -66.6 | 0 | 0 | 0 | 113.4 | F1158 L1186 L1191 G1208 H1216 I1231 | F1158-F1210 HydrophobicContact CE2-CB 4.13Å; F1158-F1210 HydrophobicContact CZ-CB 4.09Å; F1158-F1210 HydrophobicContact CZ-CD1 4.4Å; F1158-F1210 HydrophobicContact CZ-CG 4.44Å; L1186-F1210 HydrophobicContact CD1-CB 3.57Å; L1186-F1210 HydrophobicContact CD1-CD2 4.14Å; L1186-F1210 HydrophobicContact CD1-CG 4.08Å; L1186-F1210 HydrophobicContact CD2-CB 4.5Å; L1186-F1210 HydrophobicContact CG-CB 4.32Å; L1191-F1210 HydrophobicContact CB-CD2 4.04Å; L1191-F1210 HydrophobicContact CB-CE2 3.79Å; L1191-F1210 HydrophobicContact CB-CZ 4.4Å; G1208-F1210 WeakPolarHBondContact O-CD2 3.32Å; G1208-F1210 WeakPolarHBondContact O-CE2 3.42Å; F1210-H1216 AromaticContact CD1-CD2 3.94Å; F1210-H1216 AromaticContact CD1-CE1 3.7Å; F1210-H1216 AromaticContact CD1-CG 3.82Å; F1210-H1216 AromaticContact CD1-ND1 3.67Å; F1210-H1216 AromaticContact CD1-NE2 3.85Å; F1210-I1231 HydrophobicContact CD1-CD1 3.65Å; F1210-I1231 HydrophobicContact CE1-CD1 3.29Å; F1210-I1231 HydrophobicContact CE1-CG1 3.89Å; F1210-I1231 HydrophobicContact CE1-CG2 4.42Å; F1210-I1231 HydrophobicContact CG-CD1 4.44Å; F1210-I1231 HydrophobicContact CZ-CD1 3.81Å; F1210-I1231 HydrophobicContact CZ-CG1 4.44Å; F1210-I1231 HydrophobicContact CZ-CG2 4.21Å | ||
| 1211 | L | 79 | Confident | 82.8 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | trans | -113.4 | 26 | 173 | -68.3 | -167.5 | 0 | 0 | 0 | 112.1 | S1160 A1162 F1164 L1186 E1188 G1213 | S1160-L1211 CarbonylContact O-C 3.29Å; S1160-L1211 VanDerWaalsContact O-CA 3.23Å; S1160-L1211 WeakPolarHBondContact O-CA 3.22Å; A1162-L1211 WeakPolarHBondContact O-CD1 3.36Å; F1164-L1211 HydrophobicContact CD2-CD1 3.52Å; F1164-L1211 HydrophobicContact CE2-CD1 3.15Å; F1164-L1211 HydrophobicContact CE2-CD2 4.27Å; F1164-L1211 HydrophobicContact CE2-CG 3.75Å; F1164-L1211 HydrophobicContact CZ-CD1 3.94Å; F1164-L1211 HydrophobicContact CZ-CD2 4.28Å; F1164-L1211 HydrophobicContact CZ-CG 4.23Å; L1186-L1211 HydrophobicContact CD2-CD2 3.79Å; E1188-L1211 HydrophobicContact CG-CD1 4.47Å; L1211-G1213 PolarHBondContact O-N 2.93Å | ||
| 1212 | D | 71.9 | Confident | 82.8 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -84.3 | 4.3 | 178.4 | 59.2 | 8.9 | 0 | 0 | 0 | 113 | L1214 H1216 | D1212-L1214 PolarHBondContact O-N 3.06Å; D1212-L1214 VanDerWaalsContact OD1-CB 3.22Å; D1212-L1214 WeakPolarHBondContact OD1-CB 3.27Å; D1212-L1214 WeakPolarHBondContact OD1-CG 3.41Å; D1212-L1214 PolarHBondContact OD1-N 3.02Å; D1212-H1216 IonicContact OD1-NE2 3.96Å; D1212-H1216 PolarHBondContact OD1-NE2 2.92Å |
| 1213 | G | 69.9 | Low | 82.6 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 75.7 | -1.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1160 T1161 L1211 | S1160-G1213 WeakPolarHBondContact O-CA 3.38Å; S1160-G1213 PolarHBondContact O-N 2.87Å; T1161-G1213 VanDerWaalsContact CG2-CA 3.49Å; L1211-G1213 PolarHBondContact O-N 2.93Å |
| 1214 | L | 65.2 | Low | 82.2 | Confident | 88 Ų | 88 | 53 Ų | 53 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | trans | -77.1 | 161.7 | 175.7 | -57.7 | -177.5 | 0 | 0 | 0 | 111.2 | S1159 D1212 | S1159-L1214 WeakPolarHBondContact CA-O 3.16Å; S1159-L1214 WeakPolarHBondContact CB-O 3.37Å; D1212-L1214 PolarHBondContact O-N 3.06Å; D1212-L1214 VanDerWaalsContact OD1-CB 3.22Å; D1212-L1214 WeakPolarHBondContact OD1-CB 3.27Å; D1212-L1214 WeakPolarHBondContact OD1-CG 3.41Å; D1212-L1214 PolarHBondContact OD1-N 3.02Å | ||
| 1215 | R | 69.1 | Low | 81.8 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | trans | -92.4 | 106.5 | -178.5 | -170.5 | 178.1 | -168 | -153.2 | 0.3 | 110.3 | A1157 F1158 F1217 S1273 N1274 F1318 | A1157-R1215 HydrophobicContact CB-CG 4Å; F1158-R1215 WeakPolarHBondContact O-CA 3.2Å; R1215-F1217 HydrophobicContact CG-CE2 4.37Å; R1215-F1217 HydrophobicContact CG-CZ 4.35Å; R1215-S1273 PolarHBondContact NE-OG 3.27Å; R1215-S1273 PolarHBondContact NH2-OG 3.2Å; R1215-N1274 PolarHBondContact NH2-OD1 2.95Å; R1215-F1318 HydrophobicContact CB-CD2 4.42Å | ||
| 1216 | H | 79.9 | Confident | 81.8 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 141.3 | 175.4 | -60.8 | -75 | 0 | 0 | 0 | 111 | A1157 F1158 F1210 D1212 I1231 D1232 | A1157-H1216 CarbonylContact C-O 3.56Å; A1157-H1216 WeakPolarHBondContact CA-O 3.38Å; F1158-H1216 HydrophobicContact CD1-CB 4.21Å; F1158-H1216 HydrophobicContact CE1-CB 3.71Å; F1158-H1216 HydrophobicContact CE2-CB 4.31Å; F1158-H1216 HydrophobicContact CZ-CB 3.77Å; F1158-H1216 PolarHBondContact N-O 2.97Å; F1158-H1216 PolarHBondContact O-N 2.89Å; F1210-H1216 AromaticContact CD1-CD2 3.94Å; F1210-H1216 AromaticContact CD1-CE1 3.7Å; F1210-H1216 AromaticContact CD1-CG 3.82Å; F1210-H1216 AromaticContact CD1-ND1 3.67Å; F1210-H1216 AromaticContact CD1-NE2 3.85Å; D1212-H1216 IonicContact OD1-NE2 3.96Å; D1212-H1216 PolarHBondContact OD1-NE2 2.92Å; H1216-I1231 HydrophobicContact CB-CD1 4.15Å; H1216-I1231 HydrophobicContact CB-CG1 4.39Å; H1216-D1232 WeakPolarHBondContact CA-OD1 3.42Å; H1216-D1232 IonicContact CE1-OD2 3.9Å; H1216-D1232 IonicContact CG-OD2 2.95Å; H1216-D1232 IonicContact ND1-OD2 3.8Å; H1216-D1232 PolarHBondContact ND1-OD2 3.45Å |
| 1217 | F | 80.2 | Confident | 82 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 23% | 0.232 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.4 | 178.9 | -66.7 | -92.9 | 0 | 0 | 0 | 110.5 | A1157 R1215 Y1219 I1231 D1232 F1318 | A1157-F1217 HydrophobicContact CB-CD1 3.69Å; A1157-F1217 HydrophobicContact CB-CE1 3.79Å; A1157-F1217 HydrophobicContact CB-CG 4.3Å; A1157-F1217 HydrophobicContact CB-CZ 4.45Å; R1215-F1217 HydrophobicContact CG-CE2 4.37Å; R1215-F1217 HydrophobicContact CG-CZ 4.35Å; F1217-Y1219 HydrophobicContact CB-CE2 3.99Å; F1217-I1231 CarbonylContact O-C 3.58Å; F1217-I1231 WeakPolarHBondContact O-CA 3.48Å; F1217-D1232 PolarHBondContact N-OD1 2.76Å; F1217-D1232 PolarHBondContact O-N 2.87Å; F1217-F1318 AromaticContact CE2-CD2 4Å; F1217-F1318 HydrophobicContact CE2-CD2 4Å; F1217-F1318 HydrophobicContact CE2-CE2 4.05Å |
| 1218 | V | 85.1 | Confident | 82 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.8 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | R1155 F1156 F1158 I1184 V1220 Q1230 I1231 | R1155-V1218 VanDerWaalsContact CA-O 3.31Å; R1155-V1218 WeakPolarHBondContact CA-O 3.42Å; F1156-V1218 HydrophobicContact CD1-CB 4.11Å; F1156-V1218 HydrophobicContact CD1-CG1 4.36Å; F1156-V1218 HydrophobicContact CD2-CB 4.32Å; F1156-V1218 HydrophobicContact CE1-CB 3.68Å; F1156-V1218 HydrophobicContact CE1-CG1 3.57Å; F1156-V1218 HydrophobicContact CE1-CG2 4.45Å; F1156-V1218 HydrophobicContact CE2-CB 3.92Å; F1156-V1218 HydrophobicContact CE2-CG1 4.46Å; F1156-V1218 HydrophobicContact CE2-CG2 3.9Å; F1156-V1218 HydrophobicContact CG-CB 4.41Å; F1156-V1218 HydrophobicContact CZ-CB 3.58Å; F1156-V1218 HydrophobicContact CZ-CG1 3.63Å; F1156-V1218 HydrophobicContact CZ-CG2 3.84Å; F1156-V1218 PolarHBondContact N-O 2.81Å; F1156-V1218 PolarHBondContact O-N 2.8Å; F1158-V1218 HydrophobicContact CD1-CG2 3.86Å; F1158-V1218 HydrophobicContact CE1-CG2 3.58Å; I1184-V1218 HydrophobicContact CD1-CG1 4.07Å; V1218-V1220 HydrophobicContact CG1-CG2 4.14Å; V1218-Q1230 WeakPolarHBondContact CA-O 3.45Å; V1218-I1231 HydrophobicContact CG2-CD1 4.06Å; V1218-I1231 HydrophobicContact CG2-CG1 4.25Å |
| 1219 | Y | 82.9 | Confident | 82.5 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.7 | 171.6 | -59.1 | -99 | 0 | 0 | 0 | 108.6 | R1155 F1217 I1229 Q1230 | R1155-Y1219 HydrophobicContact CB-CD1 3.58Å; R1155-Y1219 HydrophobicContact CB-CE1 3.78Å; R1155-Y1219 HydrophobicContact CB-CG 4.35Å; R1155-Y1219 HydrophobicContact CG-CE1 4.45Å; F1217-Y1219 HydrophobicContact CB-CE2 3.99Å; Y1219-I1229 CarbonylContact O-C 3.46Å; Y1219-I1229 WeakPolarHBondContact O-CA 3.4Å; Y1219-Q1230 PolarHBondContact N-O 2.98Å; Y1219-Q1230 PolarHBondContact O-N 3.41Å |
| 1220 | V | 90.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 114.2 | 172.8 | -158.6 | 0 | 0 | 0 | 0 | 107.8 | V1153 I1154 F1182 I1184 F1195 V1218 F1222 I1228 I1229 | V1153-V1220 CarbonylContact C-O 3.5Å; V1153-V1220 WeakPolarHBondContact CA-O 3.23Å; I1154-V1220 PolarHBondContact N-O 2.82Å; I1154-V1220 PolarHBondContact O-N 2.67Å; F1182-V1220 HydrophobicContact CE2-CG2 4.39Å; I1184-V1220 HydrophobicContact CD1-CG2 3.63Å; F1195-V1220 HydrophobicContact CE1-CG1 4.08Å; F1195-V1220 HydrophobicContact CZ-CG1 4.12Å; V1218-V1220 HydrophobicContact CG1-CG2 4.14Å; V1220-F1222 HydrophobicContact CB-CE2 3.95Å; V1220-F1222 HydrophobicContact CB-CZ 4.12Å; V1220-F1222 HydrophobicContact CG1-CD2 4.44Å; V1220-F1222 HydrophobicContact CG1-CE1 3.96Å; V1220-F1222 HydrophobicContact CG1-CE2 3.61Å; V1220-F1222 HydrophobicContact CG1-CZ 3.33Å; V1220-I1228 CarbonylContact C-O 3.44Å; V1220-I1228 WeakPolarHBondContact CA-O 3.47Å; V1220-I1229 HydrophobicContact CG2-CG1 4.42Å |
| 1221 | I | 88.1 | Confident | 82.6 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 113 | -176.6 | -53.8 | 169.2 | 0 | 0 | 0 | 107.6 | L1151 V1153 S1227 I1228 | L1151-I1221 HydrophobicContact CD1-CG2 3.71Å; L1151-I1221 HydrophobicContact CD2-CG2 4.4Å; L1151-I1221 HydrophobicContact CG-CG2 3.93Å; V1153-I1221 HydrophobicContact CG1-CG1 4.23Å; V1153-I1221 HydrophobicContact CG2-CG1 4.39Å; I1221-S1227 CarbonylContact O-C 3.59Å; I1221-S1227 VanDerWaalsContact O-CA 3.31Å; I1221-S1227 WeakPolarHBondContact O-CA 3.1Å; I1221-I1228 HydrophobicContact CB-CB 4.25Å; I1221-I1228 PolarHBondContact N-O 3.1Å; I1221-I1228 PolarHBondContact O-N 2.97Å |
| 1222 | F | 90.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133 | 174.8 | -56.5 | -83.5 | 0 | 0 | 0 | 109.5 | L1151 V1152 I1154 F1182 F1195 V1220 S1227 L1242 V1243 L1246 | L1151-F1222 VanDerWaalsContact CA-O 3.28Å; L1151-F1222 WeakPolarHBondContact CA-O 3.46Å; V1152-F1222 HydrophobicContact CB-CB 4.48Å; V1152-F1222 PolarHBondContact N-O 2.88Å; V1152-F1222 PolarHBondContact O-N 3.02Å; I1154-F1222 HydrophobicContact CD1-CE2 3.9Å; I1154-F1222 HydrophobicContact CG1-CE2 4.14Å; F1182-F1222 HydrophobicContact CB-CE1 4.27Å; F1182-F1222 HydrophobicContact CB-CZ 4.37Å; F1182-F1222 AromaticContact CD1-CE1 3.94Å; F1182-F1222 HydrophobicContact CD1-CE1 3.94Å; F1182-F1222 HydrophobicContact CD1-CE2 4.3Å; F1182-F1222 AromaticContact CD1-CZ 3.38Å; F1182-F1222 HydrophobicContact CD1-CZ 3.38Å; F1182-F1222 HydrophobicContact CD2-CZ 4.04Å; F1182-F1222 HydrophobicContact CE1-CE1 4.48Å; F1182-F1222 HydrophobicContact CE1-CE2 4.03Å; F1182-F1222 AromaticContact CE1-CZ 3.52Å; F1182-F1222 HydrophobicContact CE1-CZ 3.52Å; F1182-F1222 HydrophobicContact CE2-CZ 4.16Å; F1182-F1222 HydrophobicContact CG-CE1 4.05Å; F1182-F1222 AromaticContact CG-CZ 3.66Å; F1182-F1222 HydrophobicContact CG-CZ 3.66Å; F1182-F1222 HydrophobicContact CZ-CE2 4.34Å; F1182-F1222 AromaticContact CZ-CZ 3.92Å; F1182-F1222 HydrophobicContact CZ-CZ 3.92Å; F1195-F1222 HydrophobicContact CD1-CE1 4.24Å; F1195-F1222 AromaticContact CE1-CE1 3.84Å; F1195-F1222 HydrophobicContact CE1-CE1 3.84Å; F1195-F1222 HydrophobicContact CE1-CZ 4.47Å; V1220-F1222 HydrophobicContact CB-CE2 3.95Å; V1220-F1222 HydrophobicContact CB-CZ 4.12Å; V1220-F1222 HydrophobicContact CG1-CD2 4.44Å; V1220-F1222 HydrophobicContact CG1-CE1 3.96Å; V1220-F1222 HydrophobicContact CG1-CE2 3.61Å; V1220-F1222 HydrophobicContact CG1-CZ 3.33Å; F1222-S1227 WeakPolarHBondContact CD1-OG 3.42Å; F1222-L1242 HydrophobicContact CD1-CB 3.89Å; F1222-L1242 HydrophobicContact CD1-CD1 4.33Å; F1222-L1242 HydrophobicContact CE1-CB 4.35Å; F1222-L1242 HydrophobicContact CE1-CD1 4.05Å; F1222-V1243 HydrophobicContact CB-CG2 3.69Å; F1222-V1243 VanDerWaalsContact O-CG2 3.27Å; F1222-V1243 WeakPolarHBondContact O-CG2 3.47Å; F1222-L1246 HydrophobicContact CB-CD1 3.95Å; F1222-L1246 HydrophobicContact CD1-CD2 4.17Å; F1222-L1246 HydrophobicContact CD2-CD1 3.63Å; F1222-L1246 HydrophobicContact CD2-CD2 4.33Å; F1222-L1246 HydrophobicContact CE1-CD2 4.29Å; F1222-L1246 HydrophobicContact CE2-CD1 4.3Å; F1222-L1246 HydrophobicContact CE2-CD2 4.45Å; F1222-L1246 HydrophobicContact CG-CD1 3.79Å; F1222-L1246 HydrophobicContact CG-CD2 4.18Å; F1222-L1246 HydrophobicContact CZ-CD2 4.43Å |
| 1223 | R | 86.5 | Confident | 82.6 | Confident | 102 Ų | 102 | 47.8 Ų | 47.8 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 174 | 170.7 | -62.9 | 173.1 | 172 | 177.8 | -5.3 | 109.2 | L1151 D1225 E1226 G1241 V1243 | L1151-R1223 HydrophobicContact CD1-CG 4.16Å; R1223-D1225 VanDerWaalsContact C-N 3.33Å; R1223-D1225 PolarHBondContact O-N 2.82Å; R1223-E1226 CarbonylContact C-O 3.22Å; R1223-E1226 WeakPolarHBondContact CA-O 3.01Å; R1223-E1226 HydrophobicContact CB-CG 4.09Å; R1223-E1226 WeakPolarHBondContact CB-O 3.01Å; R1223-E1226 WeakPolarHBondContact CD-OE1 3.43Å; R1223-E1226 HydrophobicContact CG-CG 4.47Å; R1223-E1226 IonicContact CZ-OE1 2.67Å; R1223-E1226 PolarHBondContact N-O 2.8Å; R1223-E1226 IonicContact NE-OE1 2.67Å; R1223-E1226 IonicContact NH1-OE1 3.2Å; R1223-E1226 PolarHBondContact NH1-OE1 3.3Å; R1223-G1241 VanDerWaalsContact O-CA 3.27Å; R1223-G1241 WeakPolarHBondContact O-CA 3.18Å; R1223-V1243 VanDerWaalsContact C-CG2 3.41Å; R1223-V1243 WeakPolarHBondContact O-CG2 3.37Å |
| 1224 | R | 84.2 | Confident | 82.8 | Confident | 110 Ų | 110 | 51 Ų | 51 | 42% | 0.415 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -60.1 | -37.6 | 179.2 | -71.6 | -175.5 | 178.6 | 140.6 | 4 | 113.6 | G1241 D1282 | R1224-G1241 WeakPolarHBondContact O-CA 3.26Å; R1224-D1282 IonicContact NH2-OD2 3.98Å |
| 1225 | D | 84.7 | Confident | 83.9 | Confident | 141 Ų | 141 | 54.1 Ų | 54.1 | 75% | 0.754 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -111.3 | -20.2 | -174.5 | -57.8 | -55.2 | 0 | 0 | 0 | 114.6 | R1223 G1241 | R1223-D1225 VanDerWaalsContact C-N 3.33Å; R1223-D1225 PolarHBondContact O-N 2.82Å; D1225-G1241 PolarHBondContact O-N 3.31Å |
| 1226 | E | 89.4 | Confident | 84.7 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | trans | -142.6 | 162.5 | -174.4 | 65.5 | 178.7 | -170.8 | 0 | 0 | 112.1 | R1223 V1237 V1238 I1240 | R1223-E1226 CarbonylContact C-O 3.22Å; R1223-E1226 WeakPolarHBondContact CA-O 3.01Å; R1223-E1226 HydrophobicContact CB-CG 4.09Å; R1223-E1226 WeakPolarHBondContact CB-O 3.01Å; R1223-E1226 WeakPolarHBondContact CD-OE1 3.43Å; R1223-E1226 HydrophobicContact CG-CG 4.47Å; R1223-E1226 IonicContact CZ-OE1 2.67Å; R1223-E1226 PolarHBondContact N-O 2.8Å; R1223-E1226 IonicContact NE-OE1 2.67Å; R1223-E1226 IonicContact NH1-OE1 3.2Å; R1223-E1226 PolarHBondContact NH1-OE1 3.3Å; E1226-V1237 HydrophobicContact CB-CG1 4.48Å; E1226-V1237 WeakPolarHBondContact OE2-CG1 3.32Å; E1226-V1238 CarbonylContact C-O 3.42Å; E1226-V1238 WeakPolarHBondContact CA-O 3.41Å; E1226-I1240 CarbonylContact C-O 3.56Å | ||
| 1227 | S | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.1 | 169.7 | -57.7 | 0 | 0 | 0 | 0 | 109.3 | I1221 F1222 V1238 I1240 | I1221-S1227 CarbonylContact O-C 3.59Å; I1221-S1227 VanDerWaalsContact O-CA 3.31Å; I1221-S1227 WeakPolarHBondContact O-CA 3.1Å; F1222-S1227 WeakPolarHBondContact CD1-OG 3.42Å; S1227-V1238 PolarHBondContact N-O 3.01Å; S1227-V1238 PolarHBondContact O-N 3.47Å; S1227-I1240 WeakPolarHBondContact CB-O 3.28Å; S1227-I1240 PolarHBondContact N-O 3.21Å; S1227-I1240 PolarHBondContact OG-O 2.77Å |
| 1228 | I | 88.5 | Confident | 85.7 | Confident | 23 Ų | 23 | 56 Ų | 56 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.6 | 177.2 | -48.3 | 177.5 | 0 | 0 | 0 | 107.6 | V1220 I1221 Y1235 K1236 V1237 | V1220-I1228 CarbonylContact C-O 3.44Å; V1220-I1228 WeakPolarHBondContact CA-O 3.47Å; I1221-I1228 HydrophobicContact CB-CB 4.25Å; I1221-I1228 PolarHBondContact N-O 3.1Å; I1221-I1228 PolarHBondContact O-N 2.97Å; I1228-Y1235 HydrophobicContact CG2-CD2 4.41Å; I1228-K1236 WeakPolarHBondContact CA-O 3.34Å; I1228-V1237 HydrophobicContact CG1-CG1 4.38Å; I1228-V1237 HydrophobicContact CG1-CG2 4.23Å; I1228-V1237 HydrophobicContact CG2-CG2 4.33Å |
| 1229 | I | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.3 | 164.9 | -173.2 | 172.7 | 0 | 0 | 0 | 109.7 | I1184 L1191 A1193 F1195 M1206 Y1219 V1220 Y1235 K1236 | I1184-I1229 HydrophobicContact CD1-CD1 3.67Å; I1184-I1229 HydrophobicContact CG1-CD1 4.12Å; L1191-I1229 HydrophobicContact CD2-CD1 4.08Å; A1193-I1229 HydrophobicContact CB-CD1 3.36Å; A1193-I1229 HydrophobicContact CB-CG2 4.39Å; F1195-I1229 HydrophobicContact CE2-CG2 4.26Å; F1195-I1229 HydrophobicContact CZ-CB 4.14Å; F1195-I1229 HydrophobicContact CZ-CG2 4.36Å; M1206-I1229 HydrophobicContact CE-CD1 3.71Å; M1206-I1229 HydrophobicContact CE-CG1 3.83Å; M1206-I1229 HydrophobicContact CE-CG2 4.07Å; M1206-I1229 HydrophobicContact SD-CG2 4.26Å; Y1219-I1229 CarbonylContact O-C 3.46Å; Y1219-I1229 WeakPolarHBondContact O-CA 3.4Å; V1220-I1229 HydrophobicContact CG2-CG1 4.42Å; I1229-Y1235 CarbonylContact O-C 3.53Å; I1229-Y1235 WeakPolarHBondContact O-CA 3.22Å; I1229-Y1235 WeakPolarHBondContact O-CB 3.39Å; I1229-K1236 HydrophobicContact CG2-CB 4.04Å; I1229-K1236 PolarHBondContact N-O 2.03Å; I1229-K1236 PolarHBondContact O-N 3.45Å |
| 1230 | Q | 82.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.8 | 171.5 | 177.1 | 176.8 | -18.2 | 0 | 0 | 109.4 | V1218 Y1219 D1232 Q1234 | V1218-Q1230 WeakPolarHBondContact CA-O 3.45Å; Y1219-Q1230 PolarHBondContact N-O 2.98Å; Y1219-Q1230 PolarHBondContact O-N 3.41Å; Q1230-D1232 PolarHBondContact NE2-O 2.85Å; Q1230-Q1234 CarbonylContact C-O 3.57Å; Q1230-Q1234 VanDerWaalsContact CA-O 3.23Å; Q1230-Q1234 WeakPolarHBondContact CA-O 3.44Å; Q1230-Q1234 WeakPolarHBondContact CG-O 3.41Å |
| 1231 | I | 83.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.8 | 163 | -174.9 | 157.2 | 0 | 0 | 0 | 109.3 | F1158 L1191 M1206 F1210 H1216 F1217 V1218 A1233 Q1234 | F1158-I1231 HydrophobicContact CE1-CD1 3.87Å; F1158-I1231 HydrophobicContact CZ-CD1 4.01Å; L1191-I1231 HydrophobicContact CD1-CD1 3.69Å; M1206-I1231 HydrophobicContact CB-CG2 4.13Å; M1206-I1231 HydrophobicContact CE-CB 4.01Å; M1206-I1231 HydrophobicContact CE-CG2 3.49Å; M1206-I1231 VanDerWaalsContact CE-CG2 3.49Å; M1206-I1231 HydrophobicContact SD-CG2 3.86Å; F1210-I1231 HydrophobicContact CD1-CD1 3.65Å; F1210-I1231 HydrophobicContact CE1-CD1 3.29Å; F1210-I1231 HydrophobicContact CE1-CG1 3.89Å; F1210-I1231 HydrophobicContact CE1-CG2 4.42Å; F1210-I1231 HydrophobicContact CG-CD1 4.44Å; F1210-I1231 HydrophobicContact CZ-CD1 3.81Å; F1210-I1231 HydrophobicContact CZ-CG1 4.44Å; F1210-I1231 HydrophobicContact CZ-CG2 4.21Å; H1216-I1231 HydrophobicContact CB-CD1 4.15Å; H1216-I1231 HydrophobicContact CB-CG1 4.39Å; F1217-I1231 CarbonylContact O-C 3.58Å; F1217-I1231 WeakPolarHBondContact O-CA 3.48Å; V1218-I1231 HydrophobicContact CG2-CD1 4.06Å; V1218-I1231 HydrophobicContact CG2-CG1 4.25Å; I1231-A1233 PolarHBondContact O-N 2.87Å; I1231-Q1234 HydrophobicContact CG2-CB 4.38Å; I1231-Q1234 PolarHBondContact N-O 2.81Å; I1231-Q1234 PolarHBondContact O-N 2.78Å; I1231-Q1234 VanDerWaalsContact O-O 3.13Å |
| 1232 | D | 82.2 | Confident | 86 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | -102 | -173.2 | -55.9 | -38.3 | 0 | 0 | 0 | 111.6 | H1216 F1217 Q1230 | H1216-D1232 WeakPolarHBondContact CA-OD1 3.42Å; H1216-D1232 IonicContact CE1-OD2 3.9Å; H1216-D1232 IonicContact CG-OD2 2.95Å; H1216-D1232 IonicContact ND1-OD2 3.8Å; H1216-D1232 PolarHBondContact ND1-OD2 3.45Å; F1217-D1232 PolarHBondContact N-OD1 2.76Å; F1217-D1232 PolarHBondContact O-N 2.87Å; Q1230-D1232 PolarHBondContact NE2-O 2.85Å |
| 1233 | A | 68.6 | Low | 85.8 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 74% | 0.744 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -10 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1231 | I1231-A1233 PolarHBondContact O-N 2.87Š|
| 1234 | Q | 74.4 | Confident | 85.5 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 137.7 | 177.3 | -67 | -173 | 18.5 | 0 | 0 | 110.4 | N1207 Q1230 I1231 | N1207-Q1234 PolarHBondContact O-NE2 2.7Å; Q1230-Q1234 CarbonylContact C-O 3.57Å; Q1230-Q1234 VanDerWaalsContact CA-O 3.23Å; Q1230-Q1234 WeakPolarHBondContact CA-O 3.44Å; Q1230-Q1234 WeakPolarHBondContact CG-O 3.41Å; I1231-Q1234 HydrophobicContact CG2-CB 4.38Å; I1231-Q1234 PolarHBondContact N-O 2.81Å; I1231-Q1234 PolarHBondContact O-N 2.78Å; I1231-Q1234 VanDerWaalsContact O-O 3.13Å |
| 1235 | Y | 87.1 | Confident | 85.4 | Confident | 153 Ų | 153 | 53.3 Ų | 53.3 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.3 | 174 | 72 | -85.4 | 0 | 0 | 0 | 113 | I1228 I1229 V1237 | I1228-Y1235 HydrophobicContact CG2-CD2 4.41Å; I1229-Y1235 CarbonylContact O-C 3.53Å; I1229-Y1235 WeakPolarHBondContact O-CA 3.22Å; I1229-Y1235 WeakPolarHBondContact O-CB 3.39Å; Y1235-V1237 HydrophobicContact CD2-CG2 4.37Å; Y1235-V1237 HydrophobicContact CE2-CG2 4.36Å |
| 1236 | K | 85.9 | Confident | 85.1 | Confident | 85 Ų | 85 | 46.7 Ų | 46.7 | 37% | 0.37 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.4 | 175.7 | -71.5 | -59.3 | -163.8 | 105.7 | 0 | 110.2 | E1204 M1206 I1228 I1229 | E1204-K1236 HydrophobicContact CB-CB 4.44Å; E1204-K1236 HydrophobicContact CB-CG 4.41Å; E1204-K1236 HydrophobicContact CG-CB 4.12Å; E1204-K1236 HydrophobicContact CG-CG 4.35Å; E1204-K1236 IonicContact OE2-NZ 3.38Å; E1204-K1236 PolarHBondContact OE2-NZ 3.17Å; M1206-K1236 HydrophobicContact CG-CG 4.2Å; M1206-K1236 HydrophobicContact SD-CG 4.24Å; I1228-K1236 WeakPolarHBondContact CA-O 3.34Å; I1229-K1236 HydrophobicContact CG2-CB 4.04Å; I1229-K1236 PolarHBondContact N-O 2.03Å; I1229-K1236 PolarHBondContact O-N 3.45Å |
| 1237 | V | 90.5 | Very high | 84.6 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | E1226 I1228 Y1235 | E1226-V1237 HydrophobicContact CB-CG1 4.48Å; E1226-V1237 WeakPolarHBondContact OE2-CG1 3.32Å; I1228-V1237 HydrophobicContact CG1-CG1 4.38Å; I1228-V1237 HydrophobicContact CG1-CG2 4.23Å; I1228-V1237 HydrophobicContact CG2-CG2 4.33Å; Y1235-V1237 HydrophobicContact CD2-CG2 4.37Å; Y1235-V1237 HydrophobicContact CE2-CG2 4.36Å |
| 1238 | V | 90.1 | Very high | 83.6 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 117.9 | -176 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | F1195 T1202 E1204 E1226 S1227 I1240 | F1195-V1238 HydrophobicContact CB-CG1 4.14Å; F1195-V1238 HydrophobicContact CD2-CB 4.38Å; F1195-V1238 HydrophobicContact CD2-CG1 4.26Å; F1195-V1238 HydrophobicContact CD2-CG2 3.96Å; F1195-V1238 HydrophobicContact CE2-CG2 4.01Å; F1195-V1238 HydrophobicContact CG-CG1 4.23Å; T1202-V1238 HydrophobicContact CG2-CG1 4.29Å; E1204-V1238 HydrophobicContact CG-CG2 3.7Å; E1226-V1238 CarbonylContact C-O 3.42Å; E1226-V1238 WeakPolarHBondContact CA-O 3.41Å; S1227-V1238 PolarHBondContact N-O 3.01Å; S1227-V1238 PolarHBondContact O-N 3.47Å; V1238-I1240 HydrophobicContact CG1-CB 4.23Å; V1238-I1240 HydrophobicContact CG1-CD1 4.1Å; V1238-I1240 HydrophobicContact CG1-CG1 4.02Å; V1238-I1240 PolarHBondContact O-N 2.9Å |
| 1239 | N | 90.6 | Very high | 83.1 | Confident | 114 Ų | 114 | 47.1 Ų | 47.1 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -76.5 | 66 | 179.4 | -55.7 | 15.2 | 0 | 0 | 0 | 110.9 | ||
| 1240 | I | 90.6 | Very high | 82.8 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | trans | -145.4 | 105.4 | 170.6 | -57.8 | 177 | 0 | 0 | 0 | 105.6 | F1195 K1200 T1202 E1226 S1227 V1238 L1242 | F1195-I1240 HydrophobicContact CB-CD1 4.12Å; F1195-I1240 WeakPolarHBondContact O-CD1 3.44Å; K1200-I1240 HydrophobicContact CB-CD1 4.43Å; K1200-I1240 HydrophobicContact CD-CD1 4.41Å; K1200-I1240 HydrophobicContact CD-CG1 4.19Å; K1200-I1240 HydrophobicContact CG-CD1 4.18Å; K1200-I1240 HydrophobicContact CG-CG1 4.43Å; T1202-I1240 WeakPolarHBondContact OG1-CD1 3.18Å; E1226-I1240 CarbonylContact C-O 3.56Å; S1227-I1240 WeakPolarHBondContact CB-O 3.28Å; S1227-I1240 PolarHBondContact N-O 3.21Å; S1227-I1240 PolarHBondContact OG-O 2.77Å; V1238-I1240 HydrophobicContact CG1-CB 4.23Å; V1238-I1240 HydrophobicContact CG1-CD1 4.1Å; V1238-I1240 HydrophobicContact CG1-CG1 4.02Å; V1238-I1240 PolarHBondContact O-N 2.9Å; I1240-L1242 HydrophobicContact CG2-CD2 3.97Å; I1240-L1242 HydrophobicContact CG2-CG 4.06Å | ||
| 1241 | G | 85.5 | Confident | 83 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | trans | -78.3 | 139.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1223 R1224 D1225 | R1223-G1241 VanDerWaalsContact O-CA 3.27Å; R1223-G1241 WeakPolarHBondContact O-CA 3.18Å; R1224-G1241 WeakPolarHBondContact O-CA 3.26Å; D1225-G1241 PolarHBondContact O-N 3.31Å | ||
| 1242 | L | 87.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -130.4 | 0.6 | -176.8 | -67.4 | 174.3 | 0 | 0 | 0 | 114.7 | V1180 G1181 F1182 F1195 R1196 F1222 I1240 D1244 Q1245 L1246 | V1180-L1242 HydrophobicContact CG1-CD2 4.07Å; G1181-L1242 WeakPolarHBondContact O-CD1 3.08Å; F1182-L1242 HydrophobicContact CB-CD1 4.19Å; F1195-L1242 HydrophobicContact CD1-CD1 4.02Å; R1196-L1242 WeakPolarHBondContact O-CD2 3.28Å; F1222-L1242 HydrophobicContact CD1-CB 3.89Å; F1222-L1242 HydrophobicContact CD1-CD1 4.33Å; F1222-L1242 HydrophobicContact CE1-CB 4.35Å; F1222-L1242 HydrophobicContact CE1-CD1 4.05Å; I1240-L1242 HydrophobicContact CG2-CD2 3.97Å; I1240-L1242 HydrophobicContact CG2-CG 4.06Å; L1242-D1244 PolarHBondContact O-N 3.49Å; L1242-Q1245 PolarHBondContact O-N 2.92Å; L1242-Q1245 PolarHBondContact O-OE1 3.46Å; L1242-L1246 HydrophobicContact CB-CD2 3.95Å; L1242-L1246 WeakPolarHBondContact O-CD2 3.41Å; L1242-L1246 VanDerWaalsContact O-CG 3.25Å; L1242-L1246 WeakPolarHBondContact O-CG 3.12Å; L1242-L1246 PolarHBondContact O-N 3.22Å | ||
| 1243 | V | 85.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -50.9 | -52.4 | -170.7 | 168.5 | 0 | 0 | 0 | 0 | 112.8 | P1149 V1152 F1222 R1223 Q1245 L1246 F1247 | P1149-V1243 HydrophobicContact CB-CG1 3.96Å; P1149-V1243 HydrophobicContact CG-CG1 3.91Å; V1152-V1243 HydrophobicContact CG2-CG1 4.28Å; F1222-V1243 HydrophobicContact CB-CG2 3.69Å; F1222-V1243 VanDerWaalsContact O-CG2 3.27Å; F1222-V1243 WeakPolarHBondContact O-CG2 3.47Å; R1223-V1243 VanDerWaalsContact C-CG2 3.41Å; R1223-V1243 WeakPolarHBondContact O-CG2 3.37Å; V1243-Q1245 PolarHBondContact O-N 3.35Å; V1243-L1246 WeakPolarHBondContact O-CG 3.44Å; V1243-L1246 PolarHBondContact O-N 2.58Å; V1243-F1247 WeakPolarHBondContact O-CD2 3.22Å |
| 1244 | D | 79.9 | Confident | 84.3 | Confident | 91 Ų | 91 | 40.5 Ų | 40.5 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.4 | -27.4 | -177.2 | -57.3 | -31.4 | 0 | 0 | 0 | 112.7 | L1242 | L1242-D1244 PolarHBondContact O-N 3.49Å |
| 1245 | Q | 81.9 | Confident | 84.9 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -84.6 | -21.6 | -178.1 | -59.1 | 81.7 | 16 | 0 | 0 | 112.2 | V1180 Y1198 L1242 V1243 F1247 S1248 N1249 | V1180-Q1245 HydrophobicContact CG1-CB 4.3Å; V1180-Q1245 HydrophobicContact CG1-CG 4.01Å; Y1198-Q1245 HydrophobicContact CE2-CG 3.95Å; L1242-Q1245 PolarHBondContact O-N 2.92Å; L1242-Q1245 PolarHBondContact O-OE1 3.46Å; V1243-Q1245 PolarHBondContact O-N 3.35Å; Q1245-F1247 PolarHBondContact O-N 2.72Å; Q1245-S1248 PolarHBondContact O-N 2.71Å; Q1245-S1248 PolarHBondContact O-OG 3.18Å; Q1245-N1249 PolarHBondContact O-ND2 2.87Å |
| 1246 | L | 79.1 | Confident | 84.9 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.5 | -46.8 | -175.6 | -55.1 | -173.3 | 0 | 0 | 0 | 112.5 | M1136 V1152 M1174 F1222 L1242 V1243 S1248 N1249 | M1136-L1246 HydrophobicContact CE-CB 4.19Å; V1152-L1246 HydrophobicContact CB-CD1 3.62Å; V1152-L1246 HydrophobicContact CG1-CD1 3.71Å; V1152-L1246 HydrophobicContact CG2-CD1 3.92Å; M1174-L1246 HydrophobicContact CE-CB 3.58Å; M1174-L1246 HydrophobicContact CE-CD2 3.29Å; M1174-L1246 HydrophobicContact CE-CG 3.89Å; F1222-L1246 HydrophobicContact CB-CD1 3.95Å; F1222-L1246 HydrophobicContact CD1-CD2 4.17Å; F1222-L1246 HydrophobicContact CD2-CD1 3.63Å; F1222-L1246 HydrophobicContact CD2-CD2 4.33Å; F1222-L1246 HydrophobicContact CE1-CD2 4.29Å; F1222-L1246 HydrophobicContact CE2-CD1 4.3Å; F1222-L1246 HydrophobicContact CE2-CD2 4.45Å; F1222-L1246 HydrophobicContact CG-CD1 3.79Å; F1222-L1246 HydrophobicContact CG-CD2 4.18Å; F1222-L1246 HydrophobicContact CZ-CD2 4.43Å; L1242-L1246 HydrophobicContact CB-CD2 3.95Å; L1242-L1246 WeakPolarHBondContact O-CD2 3.41Å; L1242-L1246 VanDerWaalsContact O-CG 3.25Å; L1242-L1246 WeakPolarHBondContact O-CG 3.12Å; L1242-L1246 PolarHBondContact O-N 3.22Å; V1243-L1246 WeakPolarHBondContact O-CG 3.44Å; V1243-L1246 PolarHBondContact O-N 2.58Å; L1246-S1248 PolarHBondContact O-N 3.18Å; L1246-S1248 VanDerWaalsContact O-N 3.11Å; L1246-N1249 PolarHBondContact O-N 2.57Å |
| 1247 | F | 77.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.9 | -171.5 | -63.8 | -83.2 | 0 | 0 | 0 | 114.4 | R1137 L1139 E1140 P1149 V1152 V1243 Q1245 V1279 | R1137-F1247 VanDerWaalsContact CA-O 3.27Å; R1137-F1247 WeakPolarHBondContact CA-O 3.29Å; R1137-F1247 WeakPolarHBondContact CG-O 3.45Å; R1137-F1247 PolarHBondContact N-O 2.78Å; L1139-F1247 HydrophobicContact CB-CD1 4.14Å; L1139-F1247 HydrophobicContact CB-CE1 3.98Å; L1139-F1247 HydrophobicContact CD1-CE1 4.05Å; E1140-F1247 HydrophobicContact CB-CD1 4.31Å; P1149-F1247 HydrophobicContact CB-CE2 3.94Å; P1149-F1247 HydrophobicContact CB-CZ 4.14Å; P1149-F1247 HydrophobicContact CG-CD2 3.98Å; P1149-F1247 HydrophobicContact CG-CE2 3.4Å; P1149-F1247 VanDerWaalsContact CG-CE2 3.4Å; P1149-F1247 HydrophobicContact CG-CZ 3.96Å; V1152-F1247 HydrophobicContact CG2-CE2 3.75Å; V1152-F1247 HydrophobicContact CG2-CZ 3.63Å; V1243-F1247 WeakPolarHBondContact O-CD2 3.22Å; Q1245-F1247 PolarHBondContact O-N 2.72Å; F1247-V1279 HydrophobicContact CE1-CG1 4.23Å; F1247-V1279 HydrophobicContact CE1-CG2 3.78Å; F1247-V1279 HydrophobicContact CZ-CB 4.42Å; F1247-V1279 HydrophobicContact CZ-CG1 3.75Å; F1247-V1279 HydrophobicContact CZ-CG2 3.76Å |
| 1248 | S | 71.7 | Confident | 84.3 | Confident | 66 Ų | 66 | 27.4 Ų | 27.4 | 46% | 0.462 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 115.2 | Q1245 L1246 | Q1245-S1248 PolarHBondContact O-N 2.71Å; Q1245-S1248 PolarHBondContact O-OG 3.18Å; L1246-S1248 PolarHBondContact O-N 3.18Å; L1246-S1248 VanDerWaalsContact O-N 3.11Å |
| 1249 | N | 79.5 | Confident | 83.9 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -126 | 170.7 | -160.9 | -62.2 | -45.1 | 0 | 0 | 0 | 115.5 | M1136 M1174 N1176 Q1245 L1246 | M1136-N1249 WeakPolarHBondContact CB-O 3.2Å; M1136-N1249 PolarHBondContact N-O 2.8Å; M1174-N1249 HydrophobicContact CG-CB 3.38Å; M1174-N1249 HydrophobicContact SD-CB 3.75Å; N1176-N1249 WeakPolarHBondContact CA-OD1 3.1Å; N1176-N1249 WeakPolarHBondContact CB-OD1 3.01Å; Q1245-N1249 PolarHBondContact O-ND2 2.87Å; L1246-N1249 PolarHBondContact O-N 2.57Å |
| 1250 | L | 84.3 | Confident | 83.5 | Confident | 48 Ų | 48 | 31.1 Ų | 31.1 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.7 | 163.1 | -59.4 | -178.4 | 0 | 0 | 0 | 109.9 | F1134 D1135 M1174 W1252 | F1134-L1250 CarbonylContact O-C 3.51Å; F1134-L1250 VanDerWaalsContact O-CA 3.31Å; F1134-L1250 WeakPolarHBondContact O-CA 3.47Å; D1135-L1250 HydrophobicContact CB-CD2 3.81Å; M1174-L1250 WeakPolarHBondContact CG-O 3.16Å; L1250-W1252 HydrophobicContact CB-CZ2 3.91Å; L1250-W1252 HydrophobicContact CD1-CH2 3.68Å; L1250-W1252 HydrophobicContact CD1-CZ2 3.59Å; L1250-W1252 HydrophobicContact CG-CZ2 4.36Å; L1250-W1252 PolarHBondContact O-NE1 3.15Å |
| 1251 | L | 86.6 | Confident | 83 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.4 | 169.1 | 175.3 | 70.2 | 0 | 0 | 0 | 108.5 | S1133 F1134 M1136 I1154 V1172 M1174 F1182 V1277 | S1133-L1251 CarbonylContact C-O 3.59Å; S1133-L1251 WeakPolarHBondContact CA-O 3.35Å; F1134-L1251 HydrophobicContact CB-CB 4.22Å; F1134-L1251 HydrophobicContact CD1-CB 4.5Å; F1134-L1251 PolarHBondContact N-O 3.28Å; F1134-L1251 PolarHBondContact O-N 3.36Å; M1136-L1251 HydrophobicContact CG-CB 4.08Å; M1136-L1251 HydrophobicContact SD-CB 4.29Å; M1136-L1251 HydrophobicContact SD-CD2 4.35Å; I1154-L1251 HydrophobicContact CD1-CD1 4.06Å; I1154-L1251 HydrophobicContact CD1-CD2 4.22Å; V1172-L1251 HydrophobicContact CG1-CD1 3.49Å; V1172-L1251 VanDerWaalsContact CG1-CD1 3.49Å; V1172-L1251 HydrophobicContact CG1-CG 4.45Å; M1174-L1251 HydrophobicContact CB-CD1 4.08Å; M1174-L1251 HydrophobicContact SD-CB 4.13Å; F1182-L1251 HydrophobicContact CE1-CD1 4.29Å; F1182-L1251 HydrophobicContact CZ-CD1 4.16Å; L1251-V1277 HydrophobicContact CD2-CG2 4.07Å |
| 1252 | W | 88.8 | Confident | 83 | Confident | 23 Ų | 23 | 32 Ų | 32 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.4 | 179.2 | -48.4 | 92.2 | 0 | 0 | 0 | 111.1 | F1131 V1132 V1172 A1173 L1250 G1255 S1256 S1257 I1303 | F1131-W1252 HydrophobicContact CD2-CE3 4Å; F1131-W1252 HydrophobicContact CD2-CZ3 4.41Å; F1131-W1252 AromaticContact CE2-CE3 3.68Å; F1131-W1252 HydrophobicContact CE2-CE3 3.68Å; F1131-W1252 AromaticContact CE2-CZ3 3.68Å; F1131-W1252 HydrophobicContact CE2-CZ3 3.68Å; V1132-W1252 CarbonylContact O-C 3.54Å; V1132-W1252 WeakPolarHBondContact O-CA 3.49Å; V1172-W1252 CarbonylContact C-O 3.54Å; V1172-W1252 VanDerWaalsContact CA-O 3.28Å; V1172-W1252 WeakPolarHBondContact CA-O 3.29Å; A1173-W1252 PolarHBondContact N-O 3.38Å; A1173-W1252 PolarHBondContact O-N 3.33Å; L1250-W1252 HydrophobicContact CB-CZ2 3.91Å; L1250-W1252 HydrophobicContact CD1-CH2 3.68Å; L1250-W1252 HydrophobicContact CD1-CZ2 3.59Å; L1250-W1252 HydrophobicContact CG-CZ2 4.36Å; L1250-W1252 PolarHBondContact O-NE1 3.15Å; W1252-G1255 WeakPolarHBondContact CB-O 3.46Å; W1252-S1256 PolarHBondContact NE1-OG 2.83Å; W1252-S1257 WeakPolarHBondContact CH2-OG 3.3Å; W1252-I1303 HydrophobicContact CZ3-CD1 3.87Å |
| 1253 | I | 87.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 124.9 | -176.5 | -58.6 | 169.4 | 0 | 0 | 0 | 108.4 | F1131 V1132 L1171 V1172 G1255 I1272 V1275 F1300 | F1131-I1253 WeakPolarHBondContact CA-O 3.26Å; F1131-I1253 WeakPolarHBondContact CB-O 3.45Å; V1132-I1253 HydrophobicContact CB-CB 4.48Å; V1132-I1253 PolarHBondContact N-O 3.14Å; V1132-I1253 PolarHBondContact O-N 3.17Å; L1171-I1253 WeakPolarHBondContact O-CA 3.5Å; V1172-I1253 HydrophobicContact CG2-CG1 4.46Å; I1253-G1255 VanDerWaalsContact C-N 3.32Å; I1253-G1255 PolarHBondContact O-N 3.38Å; I1253-I1272 HydrophobicContact CG2-CB 4.47Å; I1253-I1272 HydrophobicContact CG2-CD1 3.66Å; I1253-I1272 HydrophobicContact CG2-CG2 4.05Å; I1253-V1275 HydrophobicContact CD1-CG1 3.64Å; I1253-V1275 HydrophobicContact CD1-CG2 4.29Å; I1253-F1300 HydrophobicContact CD1-CE1 4.37Å |
| 1254 | G | 86 | Confident | 82.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 87.8 | -15.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | L1170 L1171 Y1268 | L1170-G1254 CarbonylContact O-C 3.54Å; L1171-G1254 PolarHBondContact O-N 3.05Å; G1254-Y1268 PolarHBondContact O-N 3.19Å |
| 1255 | G | 87.4 | Confident | 82.4 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | 169.7 | -164.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110 | W1252 I1253 | W1252-G1255 WeakPolarHBondContact CB-O 3.46Å; I1253-G1255 VanDerWaalsContact C-N 3.32Å; I1253-G1255 PolarHBondContact O-N 3.38Å | ||
| 1256 | S | 86.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | trans | -157.1 | 158.7 | 172.8 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | F1131 W1252 D1258 M1262 | F1131-S1256 VanDerWaalsContact CZ-C 3.43Å; W1252-S1256 PolarHBondContact NE1-OG 2.83Å; S1256-D1258 VanDerWaalsContact C-N 3.32Å; S1256-D1258 PolarHBondContact OG-N 3.12Å; S1256-D1258 VanDerWaalsContact OG-N 3.13Å; S1256-M1262 WeakPolarHBondContact O-CG 3.32Å | ||
| 1257 | S | 80.7 | Confident | 82.8 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -83.6 | -8.1 | 165 | 67.8 | 0 | 0 | 0 | 0 | 113 | F1131 W1252 A1259 | F1131-S1257 VanDerWaalsContact CZ-N 3.35Å; W1252-S1257 WeakPolarHBondContact CH2-OG 3.3Å; S1257-A1259 PolarHBondContact O-N 3.25Å |
| 1258 | D | 83.1 | Confident | 83.3 | Confident | 62 Ų | 62 | 40 Ų | 40 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | trans | -75.4 | 116 | 177.6 | -176.4 | -52 | 0 | 0 | 0 | 110.5 | S1256 E1260 L1261 M1262 | S1256-D1258 VanDerWaalsContact C-N 3.32Å; S1256-D1258 PolarHBondContact OG-N 3.12Å; S1256-D1258 VanDerWaalsContact OG-N 3.13Å; D1258-E1260 VanDerWaalsContact C-N 3.34Å; D1258-E1260 PolarHBondContact O-N 2.84Å; D1258-E1260 WeakPolarHBondContact OD1-CA 3.28Å; D1258-E1260 WeakPolarHBondContact OD1-CB 3.32Å; D1258-E1260 PolarHBondContact OD1-N 2.88Å; D1258-L1261 HydrophobicContact CB-CB 4.06Å; D1258-L1261 HydrophobicContact CB-CD1 3.81Å; D1258-L1261 HydrophobicContact CB-CG 4.46Å; D1258-L1261 PolarHBondContact O-N 2.97Å; D1258-L1261 PolarHBondContact OD1-N 2.86Å; D1258-M1262 WeakPolarHBondContact O-CG 3.28Å; D1258-M1262 PolarHBondContact O-N 2.8Å; D1258-M1262 VanDerWaalsContact O-N 3.14Å | ||
| 1259 | A | 81.4 | Confident | 83.9 | Confident | 70 Ų | 70 | 41.5 Ų | 41.5 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.3 | -28.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1257 K1263 | S1257-A1259 PolarHBondContact O-N 3.25Å; A1259-K1263 WeakPolarHBondContact O-CG 3.27Å; A1259-K1263 PolarHBondContact O-N 2.89Å |
| 1260 | E | 81.7 | Confident | 84.1 | Confident | 127 Ų | 127 | 41.3 Ų | 41.3 | 59% | 0.593 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -74.6 | -37.4 | 177.3 | -63.9 | -61.4 | 151.9 | 0 | 0 | 111.2 | D1258 M1262 K1263 | D1258-E1260 VanDerWaalsContact C-N 3.34Å; D1258-E1260 PolarHBondContact O-N 2.84Å; D1258-E1260 WeakPolarHBondContact OD1-CA 3.28Å; D1258-E1260 WeakPolarHBondContact OD1-CB 3.32Å; D1258-E1260 PolarHBondContact OD1-N 2.88Å; E1260-M1262 VanDerWaalsContact C-N 3.34Å; E1260-K1263 WeakPolarHBondContact OE1-CE 3.27Å; E1260-K1263 IonicContact OE1-NZ 2.62Å; E1260-K1263 PolarHBondContact OE1-NZ 2.84Å; E1260-K1263 WeakPolarHBondContact OE2-CD 3.1Å; E1260-K1263 WeakPolarHBondContact OE2-CE 3.35Å; E1260-K1263 IonicContact OE2-NZ 2.72Å; E1260-K1263 PolarHBondContact OE2-NZ 2.87Å |
| 1261 | L | 81.3 | Confident | 83.9 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -43.2 | 171 | -95.5 | 154 | 0 | 0 | 0 | 111.8 | L1170 A1173 V1175 N1183 D1258 S1265 | L1170-L1261 HydrophobicContact CD1-CD2 4.46Å; L1170-L1261 HydrophobicContact CD2-CD2 4.33Å; A1173-L1261 HydrophobicContact CB-CD1 4.38Å; A1173-L1261 HydrophobicContact CB-CD2 3.86Å; V1175-L1261 HydrophobicContact CB-CD1 4.19Å; V1175-L1261 HydrophobicContact CG2-CD1 3.94Å; V1175-L1261 HydrophobicContact CG2-CD2 4.24Å; V1175-L1261 HydrophobicContact CG2-CG 4.38Å; N1183-L1261 HydrophobicContact CB-CD2 4.29Å; D1258-L1261 HydrophobicContact CB-CB 4.06Å; D1258-L1261 HydrophobicContact CB-CD1 3.81Å; D1258-L1261 HydrophobicContact CB-CG 4.46Å; D1258-L1261 PolarHBondContact O-N 2.97Å; D1258-L1261 PolarHBondContact OD1-N 2.86Å; L1261-S1265 PolarHBondContact O-OG 2.98Å |
| 1262 | M | 85 | Confident | 83.7 | Confident | 38 Ų | 38 | 39.3 Ų | 39.3 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -81.3 | -17 | -177.1 | -63.6 | -54.1 | -57.2 | 0 | 0 | 114.6 | L1170 S1256 D1258 E1260 A1264 S1265 K1267 | L1170-M1262 HydrophobicContact CD2-SD 3.85Å; S1256-M1262 WeakPolarHBondContact O-CG 3.32Å; D1258-M1262 WeakPolarHBondContact O-CG 3.28Å; D1258-M1262 PolarHBondContact O-N 2.8Å; D1258-M1262 VanDerWaalsContact O-N 3.14Å; E1260-M1262 VanDerWaalsContact C-N 3.34Å; M1262-A1264 PolarHBondContact O-N 2.77Å; M1262-A1264 VanDerWaalsContact O-N 3.1Å; M1262-S1265 VanDerWaalsContact CE-O 3.24Å; M1262-S1265 WeakPolarHBondContact CE-O 3.33Å; M1262-S1265 PolarHBondContact O-N 2.83Å; M1262-K1267 HydrophobicContact CE-CB 4.46Å; M1262-K1267 HydrophobicContact CE-CD 4.5Å; M1262-K1267 HydrophobicContact CE-CG 3.43Å; M1262-K1267 VanDerWaalsContact CE-CG 3.43Å |
| 1263 | K | 83 | Confident | 82.9 | Confident | 132 Ų | 132 | 38.5 Ų | 38.5 | 57% | 0.574 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.3 | 176.7 | -94.5 | 179.7 | -162 | 170.3 | 0 | 115 | A1259 E1260 | A1259-K1263 WeakPolarHBondContact O-CG 3.27Å; A1259-K1263 PolarHBondContact O-N 2.89Å; E1260-K1263 WeakPolarHBondContact OE1-CE 3.27Å; E1260-K1263 IonicContact OE1-NZ 2.62Å; E1260-K1263 PolarHBondContact OE1-NZ 2.84Å; E1260-K1263 WeakPolarHBondContact OE2-CD 3.1Å; E1260-K1263 WeakPolarHBondContact OE2-CE 3.35Å; E1260-K1263 IonicContact OE2-NZ 2.72Å; E1260-K1263 PolarHBondContact OE2-NZ 2.87Å |
| 1264 | A | 73 | Confident | 82 | Confident | 58 Ų | 58 | 41.9 Ų | 41.9 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | 21.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1262 | M1262-A1264 PolarHBondContact O-N 2.77Å; M1262-A1264 VanDerWaalsContact O-N 3.1Å |
| 1265 | S | 84.7 | Confident | 81.2 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 132.3 | -176 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | R1168 R1185 L1261 M1262 | R1168-S1265 CarbonylContact O-C 3.59Å; R1168-S1265 WeakPolarHBondContact O-CA 3.4Å; R1168-S1265 WeakPolarHBondContact O-CB 3.39Å; R1185-S1265 WeakPolarHBondContact CD-OG 3.32Å; R1185-S1265 PolarHBondContact NE-OG 3.23Å; L1261-S1265 PolarHBondContact O-OG 2.98Å; M1262-S1265 VanDerWaalsContact CE-O 3.24Å; M1262-S1265 WeakPolarHBondContact CE-O 3.33Å; M1262-S1265 PolarHBondContact O-N 2.83Å |
| 1266 | D | 85.5 | Confident | 80.5 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 164.9 | 167.6 | -68.8 | -33.6 | 0 | 0 | 0 | 108.8 | G1165 A1166 H1167 R1168 S1169 L1170 | G1165-D1266 VanDerWaalsContact CA-OD2 3.26Å; G1165-D1266 WeakPolarHBondContact CA-OD2 3.43Å; A1166-D1266 PolarHBondContact N-OD2 3.09Å; H1167-D1266 WeakPolarHBondContact CA-OD2 3.49Å; H1167-D1266 HydrophobicContact CB-CB 4.48Å; H1167-D1266 IonicContact CD2-OD1 2.73Å; H1167-D1266 PolarHBondContact N-OD2 2.83Å; R1168-D1266 PolarHBondContact O-N 3.2Å; S1169-D1266 CarbonylContact C-O 3.59Å; S1169-D1266 VanDerWaalsContact CA-O 3.3Å; S1169-D1266 WeakPolarHBondContact CA-O 3.24Å; L1170-D1266 PolarHBondContact N-O 3.32Å |
| 1267 | K | 83.7 | Confident | 79.8 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 155.5 | 171 | -64.7 | -178 | 177 | -179.5 | 0 | 109.2 | G1129 S1169 M1262 | G1129-K1267 WeakPolarHBondContact O-CD 3.25Å; G1129-K1267 WeakPolarHBondContact O-CE 3.38Å; G1129-K1267 PolarHBondContact O-NZ 2.89Å; S1169-K1267 WeakPolarHBondContact CB-O 3.36Å; S1169-K1267 PolarHBondContact OG-O 2.89Å; M1262-K1267 HydrophobicContact CE-CB 4.46Å; M1262-K1267 HydrophobicContact CE-CD 4.5Å; M1262-K1267 HydrophobicContact CE-CG 3.43Å; M1262-K1267 VanDerWaalsContact CE-CG 3.43Å |
| 1268 | Y | 88.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -87.1 | 137 | 173.4 | 172.8 | -91.2 | 0 | 0 | 0 | 110.1 | L1126 F1158 S1159 L1170 L1171 L1186 G1254 I1272 | L1126-Y1268 HydrophobicContact CD1-CD1 3.98Å; L1126-Y1268 HydrophobicContact CD1-CE1 4.43Å; F1158-Y1268 HydrophobicContact CD2-CE2 4.26Å; S1159-Y1268 VanDerWaalsContact C-OH 3.27Å; S1159-Y1268 PolarHBondContact N-OH 2.9Å; S1159-Y1268 PolarHBondContact O-OH 2.98Å; L1170-Y1268 WeakPolarHBondContact O-CB 3.25Å; L1171-Y1268 HydrophobicContact CD2-CD1 4.23Å; L1171-Y1268 HydrophobicContact CD2-CD2 3.49Å; L1171-Y1268 VanDerWaalsContact CD2-CD2 3.49Å; L1171-Y1268 HydrophobicContact CD2-CE1 4.2Å; L1171-Y1268 HydrophobicContact CD2-CE2 3.46Å; L1171-Y1268 VanDerWaalsContact CD2-CE2 3.46Å; L1171-Y1268 HydrophobicContact CD2-CG 3.88Å; L1171-Y1268 HydrophobicContact CG-CD2 4.02Å; L1171-Y1268 HydrophobicContact CG-CE2 4.31Å; L1186-Y1268 HydrophobicContact CD2-CD2 4.33Å; L1186-Y1268 HydrophobicContact CD2-CE2 3.98Å; G1254-Y1268 PolarHBondContact O-N 3.19Å; Y1268-I1272 HydrophobicContact CD1-CD1 3.79Å; Y1268-I1272 HydrophobicContact CD1-CG1 4.08Å; Y1268-I1272 HydrophobicContact CE1-CD1 3.8Å; Y1268-I1272 HydrophobicContact CE1-CG1 3.55Å |
| 1269 | E | 85.4 | Confident | 78.8 | Confident | 97 Ų | 97 | 41.7 Ų | 41.7 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | trans | -124.1 | 129 | 176.7 | -179.2 | 167.1 | -158.6 | 0 | 0 | 108.2 | L1126 S1160 A1162 | L1126-E1269 VanDerWaalsContact O-CA 3.28Å; L1126-E1269 WeakPolarHBondContact O-CA 3.22Å; S1160-E1269 VanDerWaalsContact CB-O 3.29Å; S1160-E1269 WeakPolarHBondContact CB-O 3.35Å; S1160-E1269 PolarHBondContact OG-O 2.85Å; A1162-E1269 HydrophobicContact CB-CB 3.84Å; A1162-E1269 HydrophobicContact CB-CG 4.01Å | ||
| 1270 | G | 82.4 | Confident | 78.2 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.8 | -167.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1126 | L1126-G1270 PolarHBondContact N-O 2.91Å; L1126-G1270 PolarHBondContact O-N 2.98Å |
| 1271 | C | 81 | Confident | 77.4 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.8 | -171.3 | -148.6 | 0 | 0 | 0 | 0 | 110.8 | Q1125 F1158 S1159 C1315 | Q1125-C1271 VanDerWaalsContact OE1-CB 3.31Å; F1158-C1271 CarbonylContact C-O 3.55Å; F1158-C1271 VanDerWaalsContact CA-O 3.25Å; F1158-C1271 WeakPolarHBondContact CA-O 3.25Å; S1159-C1271 PolarHBondContact N-O 3.02Å; S1159-C1271 PolarHBondContact O-N 2.81Å; C1271-C1315 HydrophobicContact CB-CB 3.89Å; C1271-C1315 WeakPolarHBondContact CB-SG 3.11Å; C1271-C1315 WeakPolarHBondContact SG-CA 3.17Å; C1271-C1315 WeakPolarHBondContact SG-CB 3.41Å; C1271-C1315 CovalentContact SG-SG 2.03Å; C1271-C1315 PolarHBondContact SG-SG 3.24Å |
| 1272 | I | 81.6 | Confident | 76.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.7 | 172.5 | -60.4 | -177.4 | 0 | 0 | 0 | 109.4 | G1123 L1124 L1126 F1156 A1157 F1158 L1171 I1253 Y1268 V1275 | G1123-I1272 CarbonylContact C-O 3.55Å; G1123-I1272 WeakPolarHBondContact CA-O 3.2Å; L1124-I1272 WeakPolarHBondContact CB-O 3.34Å; L1124-I1272 PolarHBondContact N-O 3.21Å; L1124-I1272 PolarHBondContact O-N 3.19Å; L1126-I1272 HydrophobicContact CD1-CB 4.43Å; L1126-I1272 HydrophobicContact CD1-CD1 3.68Å; L1126-I1272 HydrophobicContact CD1-CG1 3.99Å; F1156-I1272 HydrophobicContact CB-CG2 4.4Å; F1156-I1272 HydrophobicContact CD2-CG2 4.26Å; A1157-I1272 CarbonylContact O-C 3.59Å; A1157-I1272 WeakPolarHBondContact O-CA 3.4Å; F1158-I1272 HydrophobicContact CB-CG1 4.2Å; L1171-I1272 HydrophobicContact CD2-CD1 3.97Å; I1253-I1272 HydrophobicContact CG2-CB 4.47Å; I1253-I1272 HydrophobicContact CG2-CD1 3.66Å; I1253-I1272 HydrophobicContact CG2-CG2 4.05Å; Y1268-I1272 HydrophobicContact CD1-CD1 3.79Å; Y1268-I1272 HydrophobicContact CD1-CG1 4.08Å; Y1268-I1272 HydrophobicContact CE1-CD1 3.8Å; Y1268-I1272 HydrophobicContact CE1-CG1 3.55Å; I1272-V1275 HydrophobicContact CG2-CG2 3.57Å |
| 1273 | S | 73.3 | Confident | 74.7 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 166.9 | -170.9 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | A1157 R1215 V1275 | A1157-S1273 PolarHBondContact N-O 3.41Å; A1157-S1273 PolarHBondContact O-N 3.24Å; A1157-S1273 PolarHBondContact O-OG 2.84Å; R1215-S1273 PolarHBondContact NE-OG 3.27Å; R1215-S1273 PolarHBondContact NH2-OG 3.2Å; S1273-V1275 PolarHBondContact O-N 3.11Å; S1273-V1275 VanDerWaalsContact O-N 3.09Å |
| 1274 | N | 67.2 | Low | 72.6 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 43% | 0.428 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 34.3 | -179.6 | -70.3 | 59 | 0 | 0 | 0 | 113.3 | R1155 F1156 R1215 E1276 | R1155-N1274 CarbonylContact C-O 3.55Å; R1155-N1274 VanDerWaalsContact O-O 3.05Å; F1156-N1274 WeakPolarHBondContact CA-O 3.26Å; R1215-N1274 PolarHBondContact NH2-OD1 2.95Å; N1274-E1276 PolarHBondContact O-N 2.86Å |
| 1275 | V | 70 | Confident | 71.1 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 111.7 | 174.4 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | R1155 F1156 I1253 I1272 S1273 F1290 | R1155-V1275 CarbonylContact O-C 3.54Å; R1155-V1275 WeakPolarHBondContact O-CA 3.45Å; F1156-V1275 HydrophobicContact CB-CG2 3.99Å; I1253-V1275 HydrophobicContact CD1-CG1 3.64Å; I1253-V1275 HydrophobicContact CD1-CG2 4.29Å; I1272-V1275 HydrophobicContact CG2-CG2 3.57Å; S1273-V1275 PolarHBondContact O-N 3.11Å; S1273-V1275 VanDerWaalsContact O-N 3.09Å; V1275-F1290 HydrophobicContact CB-CD2 4.18Å; V1275-F1290 HydrophobicContact CB-CE2 3.93Å; V1275-F1290 HydrophobicContact CG1-CD2 4.44Å; V1275-F1290 HydrophobicContact CG1-CE2 4.18Å; V1275-F1290 WeakPolarHBondContact O-CB 3.27Å; V1275-F1290 WeakPolarHBondContact O-CD2 3.37Å; V1275-F1290 WeakPolarHBondContact O-CG 3.48Å |
| 1276 | E | 71.5 | Confident | 69 | Low | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.8 | -178.1 | -65.1 | 165.9 | -141.6 | 0 | 0 | 108.9 | R1155 N1274 F1290 | R1155-E1276 HydrophobicContact CG-CB 3.81Å; R1155-E1276 IonicContact CZ-OE2 2.7Å; R1155-E1276 PolarHBondContact N-O 3.27Å; R1155-E1276 IonicContact NE-OE2 3.48Å; R1155-E1276 PolarHBondContact NE-OE2 3.1Å; R1155-E1276 IonicContact NH2-OE2 3.71Å; R1155-E1276 PolarHBondContact NH2-OE2 2.9Å; R1155-E1276 PolarHBondContact O-N 2.76Å; N1274-E1276 PolarHBondContact O-N 2.86Å; E1276-F1290 HydrophobicContact CG-CB 4.38Å |
| 1277 | V | 72.6 | Confident | 66.9 | Low | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111.9 | 176 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | M1136 L1139 V1152 V1153 I1154 L1251 V1279 | M1136-V1277 HydrophobicContact CE-CG1 4.04Å; M1136-V1277 HydrophobicContact SD-CG1 4.31Å; L1139-V1277 HydrophobicContact CD1-CG1 3.92Å; V1152-V1277 HydrophobicContact CG1-CG1 4.06Å; V1153-V1277 CarbonylContact O-C 3.56Å; V1153-V1277 WeakPolarHBondContact O-CA 3.31Å; I1154-V1277 HydrophobicContact CG1-CG1 4.4Å; I1154-V1277 HydrophobicContact CG1-CG2 4.28Å; L1251-V1277 HydrophobicContact CD2-CG2 4.07Å; V1277-V1279 HydrophobicContact CG1-CG2 4.44Å |
| 1278 | E | 70.4 | Confident | 64.6 | Low | 26 Ų | 26 | 54 Ų | 54 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.4 | 176.6 | -58.1 | 178.8 | 141.5 | 0 | 0 | 109.7 | V1152 V1153 R1155 H1280 V1286 | V1152-E1278 CarbonylContact C-O 3.53Å; V1152-E1278 WeakPolarHBondContact CA-O 3.43Å; V1153-E1278 HydrophobicContact CB-CB 4.19Å; V1153-E1278 PolarHBondContact N-O 2.84Å; V1153-E1278 PolarHBondContact O-N 3.46Å; R1155-E1278 IonicContact CZ-OE1 3.44Å; R1155-E1278 IonicContact CZ-OE2 2.98Å; R1155-E1278 IonicContact NH1-OE1 3.54Å; R1155-E1278 PolarHBondContact NH1-OE1 2.96Å; R1155-E1278 IonicContact NH1-OE2 3.75Å; R1155-E1278 PolarHBondContact NH1-OE2 2.64Å; R1155-E1278 IonicContact NH2-OE1 2.7Å; R1155-E1278 PolarHBondContact NH2-OE1 3.16Å; E1278-H1280 IonicContact OE2-CE1 3.56Å; E1278-V1286 HydrophobicContact CG-CG1 4.18Å |
| 1279 | V | 71.7 | Confident | 62.6 | Low | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.2 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.7 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | L1139 P1149 V1152 F1247 V1277 F1285 | L1139-V1279 HydrophobicContact CD1-CG2 4.04Å; P1149-V1279 HydrophobicContact CB-CG1 3.91Å; V1152-V1279 HydrophobicContact CG2-CG1 4.46Å; F1247-V1279 HydrophobicContact CE1-CG1 4.23Å; F1247-V1279 HydrophobicContact CE1-CG2 3.78Å; F1247-V1279 HydrophobicContact CZ-CB 4.42Å; F1247-V1279 HydrophobicContact CZ-CG1 3.75Å; F1247-V1279 HydrophobicContact CZ-CG2 3.76Å; V1277-V1279 HydrophobicContact CG1-CG2 4.44Å; V1279-F1285 VanDerWaalsContact O-O 3.09Å |
| 1280 | H | 68.4 | Low | 60.4 | Low | 49 Ų | 49 | 54.9 Ų | 54.9 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.1 | 177.2 | -63.6 | 74.2 | 0 | 0 | 0 | 109.9 | P1149 T1150 L1151 E1278 | P1149-H1280 WeakPolarHBondContact CA-O 3.13Å; T1150-H1280 PolarHBondContact N-O 3.36Å; T1150-H1280 PolarHBondContact OG1-O 2.87Å; L1151-H1280 HydrophobicContact CB-CB 4.24Å; L1151-H1280 HydrophobicContact CD2-CB 4.06Å; L1151-H1280 WeakPolarHBondContact CD2-ND1 3.21Å; L1151-H1280 PolarHBondContact N-O 3.19Å; L1151-H1280 WeakPolarHBondContact O-CB 3.24Å; L1151-H1280 PolarHBondContact O-N 3.17Å; E1278-H1280 IonicContact OE2-CE1 3.56Å |
| 1281 | S | 64.9 | Low | 58.1 | Low | 25 Ų | 25 | 61.7 Ų | 61.7 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | trans | -119.8 | 176 | 171.5 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | E1283 | S1281-E1283 PolarHBondContact O-N 2.96Å; S1281-E1283 PolarHBondContact OG-O 2.8Å | ||
| 1282 | D | 59.5 | Low | 55.9 | Low | 122 Ų | 122 | 65.8 Ų | 65.8 | 65% | 0.652 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -61.4 | -21.5 | -178.6 | -72.6 | -59.4 | 0 | 0 | 0 | 113.5 | L1147 T1150 R1224 | L1147-D1282 HydrophobicContact CD2-CB 4.43Å; T1150-D1282 HydrophobicContact CG2-CB 4.45Å; T1150-D1282 VanDerWaalsContact CG2-CG 3.45Å; T1150-D1282 WeakPolarHBondContact CG2-OD1 3.42Å; T1150-D1282 WeakPolarHBondContact CG2-OD2 2.91Å; R1224-D1282 IonicContact NH2-OD2 3.98Å |
| 1283 | E | 51 | Low | 53.7 | Low | 137 Ų | 137 | 70.5 Ų | 70.5 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -107 | 131.6 | 162 | -66.5 | -156.5 | 172.8 | 0 | 0 | 110.7 | S1281 F1285 | S1281-E1283 PolarHBondContact O-N 2.96Å; S1281-E1283 PolarHBondContact OG-O 2.8Å; E1283-F1285 PolarHBondContact O-N 2.61Å |
| 1284 | S | 39.1 | Very low | 51.8 | Low | 112 Ų | 112 | 73.9 Ų | 73.9 | 78% | 0.783 | 41% | 0.413 | S | S | * | . | trans | -74.6 | 95.6 | -165.2 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1285 | F | 41 | Very low | 50.4 | Low | 138 Ų | 138 | 78.1 Ų | 78.1 | 61% | 0.605 | 43% | 0.431 | S | S | * | . | trans | -115.6 | 114.9 | 162.1 | -71.9 | -89.3 | 0 | 0 | 0 | 109.6 | V1279 E1283 | V1279-F1285 VanDerWaalsContact O-O 3.09Å; E1283-F1285 PolarHBondContact O-N 2.61Å | ||
| 1286 | V | 40.8 | Very low | 48.7 | Very low | 77 Ų | 77 | 84.6 Ų | 84.6 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | trans | -92.4 | 116.6 | 167.1 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | E1278 P1288 | E1278-V1286 HydrophobicContact CG-CG1 4.18Å; V1286-P1288 WeakPolarHBondContact O-CD 3.38Å | ||
| 1287 | T | 40.5 | Very low | 47.3 | Very low | 67 Ų | 67 | 86.1 Ų | 86.1 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | trans | -103.4 | 96.1 | 173.3 | -41.1 | 0 | 0 | 0 | 0 | 108.9 | I1289 | T1287-I1289 HydrophobicContact CG2-CD1 3.9Å; T1287-I1289 HydrophobicContact CG2-CG1 4.01Å; T1287-I1289 PolarHBondContact O-N 2.79Å | ||
| 1288 | P | 37.3 | Very low | 45.7 | Very low | 81 Ų | 81 | 93.3 Ų | 93.3 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | trans | -74.3 | 107.3 | -179.6 | 29.1 | -34 | 0 | 0 | 0 | 110.4 | V1286 F1290 | V1286-P1288 WeakPolarHBondContact O-CD 3.38Å; P1288-F1290 PolarHBondContact O-N 2.86Å | ||
| 1289 | I | 44.8 | Very low | 44.8 | Very low | 47 Ų | 47 | 92.9 Ų | 92.9 | 24% | 0.241 | 51% | 0.512 | C | S | . | . | trans | -103.7 | 68.7 | -175.2 | -65.7 | 166.1 | 0 | 0 | 0 | 110.2 | F1134 L1139 T1287 | F1134-I1289 HydrophobicContact CE2-CG2 4.07Å; F1134-I1289 HydrophobicContact CZ-CG2 4.07Å; L1139-I1289 HydrophobicContact CD2-CD1 3.19Å; L1139-I1289 HydrophobicContact CD2-CG1 4.47Å; T1287-I1289 HydrophobicContact CG2-CD1 3.9Å; T1287-I1289 HydrophobicContact CG2-CG1 4.01Å; T1287-I1289 PolarHBondContact O-N 2.79Å | ||
| 1290 | F | 39 | Very low | 43.7 | Very low | 74 Ų | 74 | 93.6 Ų | 93.6 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | trans | -158.7 | 62.7 | 154.8 | -127.9 | -77.1 | 0 | 0 | 0 | 111.3 | V1275 E1276 P1288 F1300 F1312 | V1275-F1290 HydrophobicContact CB-CD2 4.18Å; V1275-F1290 HydrophobicContact CB-CE2 3.93Å; V1275-F1290 HydrophobicContact CG1-CD2 4.44Å; V1275-F1290 HydrophobicContact CG1-CE2 4.18Å; V1275-F1290 WeakPolarHBondContact O-CB 3.27Å; V1275-F1290 WeakPolarHBondContact O-CD2 3.37Å; V1275-F1290 WeakPolarHBondContact O-CG 3.48Å; E1276-F1290 HydrophobicContact CG-CB 4.38Å; P1288-F1290 PolarHBondContact O-N 2.86Å; F1290-F1300 AromaticContact CD2-CE2 3.9Å; F1290-F1300 HydrophobicContact CD2-CE2 3.9Å; F1290-F1300 AromaticContact CD2-CZ 3.91Å; F1290-F1300 HydrophobicContact CD2-CZ 3.91Å; F1290-F1300 HydrophobicContact CE2-CD2 4.46Å; F1290-F1300 HydrophobicContact CE2-CE1 4.12Å; F1290-F1300 AromaticContact CE2-CE2 3.42Å; F1290-F1300 HydrophobicContact CE2-CE2 3.42Å; F1290-F1300 VanDerWaalsContact CE2-CE2 3.42Å; F1290-F1300 AromaticContact CE2-CZ 3.23Å; F1290-F1300 HydrophobicContact CE2-CZ 3.23Å; F1290-F1300 AromaticContact CZ-CE2 3.97Å; F1290-F1300 HydrophobicContact CZ-CE2 3.97Å; F1290-F1300 AromaticContact CZ-CZ 4Å; F1290-F1300 HydrophobicContact CZ-CZ 4Å; F1290-F1312 HydrophobicContact CE1-CE1 4.44Å | ||
| 1291 | Q | 35.2 | Very low | 43 | Very low | 151 Ų | 151 | 97.4 Ų | 97.4 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | trans | -110.2 | 115.3 | 156.6 | -78.6 | -170.8 | -16.6 | 0 | 0 | 108 | V1293 | Q1291-V1293 HydrophobicContact CB-CB 4.42Å; Q1291-V1293 HydrophobicContact CB-CG2 4.11Å; Q1291-V1293 PolarHBondContact O-N 2.81Å | ||
| 1292 | P | 34.4 | Very low | 42.2 | Very low | 92 Ų | 92 | 100.7 Ų | 100.7 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | trans | -74.8 | 70.1 | 170.7 | 31.6 | -33.5 | 0 | 0 | 0 | 109.3 | F1119 | F1119-P1292 HydrophobicContact CD1-CG 4.43Š| ||
| 1293 | V | 35.3 | Very low | 41.9 | Very low | 99 Ų | 99 | 96.5 Ų | 96.5 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | trans | -135.5 | 131 | -178.2 | -177.7 | 0 | 0 | 0 | 0 | 108 | Q1291 | Q1291-V1293 HydrophobicContact CB-CB 4.42Å; Q1291-V1293 HydrophobicContact CB-CG2 4.11Å; Q1291-V1293 PolarHBondContact O-N 2.81Å | ||
| 1294 | A | 34.2 | Very low | 41.8 | Very low | 78 Ų | 78 | 91.7 Ų | 91.7 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 72 | 128.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | N1296 A1297 | A1294-N1296 PolarHBondContact O-N 3.42Å; A1294-A1297 PolarHBondContact O-N 2.93Å |
| 1295 | E | 36.4 | Very low | 42.3 | Very low | 169 Ų | 169 | 93 Ų | 93 | 79% | 0.79 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 16.2 | -179.4 | -58.8 | 174.1 | 126.9 | 0 | 0 | 114.8 | Y1298 | E1295-Y1298 WeakPolarHBondContact O-CE2 3.42Š|
| 1296 | N | 34.3 | Very low | 42.6 | Very low | 151 Ų | 151 | 92.2 Ų | 92.2 | 81% | 0.807 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -4.1 | -178.4 | -74 | -32.1 | 0 | 0 | 0 | 113.9 | A1294 Y1298 | A1294-N1296 PolarHBondContact O-N 3.42Å; N1296-Y1298 VanDerWaalsContact C-N 3.32Å; N1296-Y1298 PolarHBondContact O-N 2.93Å |
| 1297 | A | 42.2 | Very low | 42.9 | Very low | 73 Ų | 73 | 97.9 Ų | 97.9 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | trans | -89.3 | 43.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1294 A1299 | A1294-A1297 PolarHBondContact O-N 2.93Å; A1297-A1299 PolarHBondContact O-N 3.18Å | ||
| 1298 | Y | 40 | Very low | 43.4 | Very low | 158 Ų | 158 | 96.7 Ų | 96.7 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 53.5 | -178.1 | -67.7 | -73.4 | 0 | 0 | 0 | 114.2 | R1138 E1295 N1296 | R1138-Y1298 PolarHBondContact NH1-O 2.94Å; E1295-Y1298 WeakPolarHBondContact O-CE2 3.42Å; N1296-Y1298 VanDerWaalsContact C-N 3.32Å; N1296-Y1298 PolarHBondContact O-N 2.93Å |
| 1299 | A | 50.7 | Low | 44.1 | Very low | 17 Ų | 17 | 98 Ų | 98 | 14% | 0.14 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -17.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1134 D1135 R1138 A1297 | F1134-A1299 CarbonylContact C-O 3.59Å; F1134-A1299 WeakPolarHBondContact CA-O 3.24Å; F1134-A1299 HydrophobicContact CD2-CB 3.78Å; F1134-A1299 HydrophobicContact CE2-CB 3.23Å; F1134-A1299 HydrophobicContact CZ-CB 3.74Å; D1135-A1299 PolarHBondContact N-O 2.84Å; R1138-A1299 HydrophobicContact CB-CB 4.36Å; A1297-A1299 PolarHBondContact O-N 3.18Å |
| 1300 | F | 49.2 | Very low | 44.6 | Very low | 48 Ų | 48 | 96.4 Ų | 96.4 | 21% | 0.211 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.2 | 173.4 | -74.2 | -77.9 | 0 | 0 | 0 | 112.7 | V1132 S1133 F1134 I1253 F1290 F1302 | V1132-F1300 HydrophobicContact CG1-CD1 3.39Å; V1132-F1300 HydrophobicContact CG1-CE1 3.89Å; V1132-F1300 HydrophobicContact CG1-CG 4.39Å; S1133-F1300 CarbonylContact O-C 3.55Å; S1133-F1300 WeakPolarHBondContact O-CA 3.43Å; F1134-F1300 HydrophobicContact CB-CD1 3.81Å; F1134-F1300 HydrophobicContact CB-CE1 3.56Å; F1134-F1300 HydrophobicContact CB-CZ 4.13Å; F1134-F1300 AromaticContact CD2-CD1 3.78Å; F1134-F1300 HydrophobicContact CD2-CD1 3.78Å; F1134-F1300 AromaticContact CD2-CD2 3.71Å; F1134-F1300 HydrophobicContact CD2-CD2 3.71Å; F1134-F1300 AromaticContact CD2-CE1 3.52Å; F1134-F1300 HydrophobicContact CD2-CE1 3.52Å; F1134-F1300 AromaticContact CD2-CE2 3.4Å; F1134-F1300 HydrophobicContact CD2-CE2 3.4Å; F1134-F1300 AromaticContact CD2-CG 3.88Å; F1134-F1300 HydrophobicContact CD2-CG 3.88Å; F1134-F1300 AromaticContact CD2-CZ 3.27Å; F1134-F1300 HydrophobicContact CD2-CZ 3.27Å; F1134-F1300 HydrophobicContact CE2-CD2 4.14Å; F1134-F1300 AromaticContact CE2-CE2 3.7Å; F1134-F1300 HydrophobicContact CE2-CE2 3.7Å; F1134-F1300 AromaticContact CE2-CZ 3.9Å; F1134-F1300 HydrophobicContact CE2-CZ 3.9Å; F1134-F1300 HydrophobicContact CG-CD1 4.3Å; F1134-F1300 AromaticContact CG-CE1 3.93Å; F1134-F1300 HydrophobicContact CG-CE1 3.93Å; F1134-F1300 AromaticContact CG-CZ 3.99Å; F1134-F1300 HydrophobicContact CG-CZ 3.99Å; I1253-F1300 HydrophobicContact CD1-CE1 4.37Å; F1290-F1300 AromaticContact CD2-CE2 3.9Å; F1290-F1300 HydrophobicContact CD2-CE2 3.9Å; F1290-F1300 AromaticContact CD2-CZ 3.91Å; F1290-F1300 HydrophobicContact CD2-CZ 3.91Å; F1290-F1300 HydrophobicContact CE2-CD2 4.46Å; F1290-F1300 HydrophobicContact CE2-CE1 4.12Å; F1290-F1300 AromaticContact CE2-CE2 3.42Å; F1290-F1300 HydrophobicContact CE2-CE2 3.42Å; F1290-F1300 VanDerWaalsContact CE2-CE2 3.42Å; F1290-F1300 AromaticContact CE2-CZ 3.23Å; F1290-F1300 HydrophobicContact CE2-CZ 3.23Å; F1290-F1300 AromaticContact CZ-CE2 3.97Å; F1290-F1300 HydrophobicContact CZ-CE2 3.97Å; F1290-F1300 AromaticContact CZ-CZ 4Å; F1290-F1300 HydrophobicContact CZ-CZ 4Å; F1300-F1302 HydrophobicContact CB-CE2 4.27Å; F1300-F1302 HydrophobicContact CB-CZ 4.43Å |
| 1301 | Q | 52.8 | Low | 45.5 | Very low | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 113.7 | 163.5 | -174.5 | 174.8 | 4.5 | 0 | 0 | 108.7 | S1133 I1303 | S1133-Q1301 PolarHBondContact N-O 2.89Å; S1133-Q1301 VanDerWaalsContact N-O 3.09Å; S1133-Q1301 PolarHBondContact O-N 2.84Å; S1133-Q1301 PolarHBondContact OG-O 2.8Å; Q1301-I1303 HydrophobicContact CG-CG1 4.27Å |
| 1302 | F | 49.6 | Very low | 46.5 | Very low | 95 Ų | 95 | 94.2 Ų | 94.2 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 133 | 174.4 | -59.3 | -89.1 | 0 | 0 | 0 | 109.4 | L1124 V1132 F1300 P1310 F1312 | L1124-F1302 HydrophobicContact CD1-CE1 4.43Å; V1132-F1302 HydrophobicContact CG2-CD1 3.77Å; V1132-F1302 HydrophobicContact CG2-CE1 4.07Å; F1300-F1302 HydrophobicContact CB-CE2 4.27Å; F1300-F1302 HydrophobicContact CB-CZ 4.43Å; F1302-P1310 HydrophobicContact CD1-CG 4.26Å; F1302-F1312 AromaticContact CE1-CE2 3.65Å; F1302-F1312 HydrophobicContact CE1-CE2 3.65Å; F1302-F1312 AromaticContact CE1-CZ 3.84Å; F1302-F1312 HydrophobicContact CE1-CZ 3.84Å; F1302-F1312 AromaticContact CZ-CE2 3.62Å; F1302-F1312 HydrophobicContact CZ-CE2 3.62Å; F1302-F1312 AromaticContact CZ-CZ 3.76Å; F1302-F1312 HydrophobicContact CZ-CZ 3.76Å |
| 1303 | I | 52.7 | Low | 47.3 | Very low | 34 Ų | 34 | 92.4 Ų | 92.4 | 17% | 0.174 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 101.5 | -177.9 | -63.6 | 164 | 0 | 0 | 0 | 108.5 | F1131 W1252 Q1301 Y1305 | F1131-I1303 HydrophobicContact CD2-CB 4.35Å; F1131-I1303 HydrophobicContact CE1-CG2 4.27Å; F1131-I1303 HydrophobicContact CE2-CB 3.78Å; F1131-I1303 HydrophobicContact CE2-CD1 4.04Å; F1131-I1303 HydrophobicContact CE2-CG2 3.87Å; F1131-I1303 HydrophobicContact CZ-CB 4.03Å; F1131-I1303 HydrophobicContact CZ-CG2 3.59Å; F1131-I1303 PolarHBondContact N-O 2.83Å; F1131-I1303 PolarHBondContact O-N 2.85Å; F1131-I1303 VanDerWaalsContact O-O 3.14Å; W1252-I1303 HydrophobicContact CZ3-CD1 3.87Å; Q1301-I1303 HydrophobicContact CG-CG1 4.27Å; I1303-Y1305 HydrophobicContact CG2-CD2 4.07Å; I1303-Y1305 HydrophobicContact CG2-CE2 3.72Å |
| 1304 | S | 48.6 | Very low | 48.2 | Very low | 35 Ų | 35 | 89 Ų | 89 | 25% | 0.245 | 47% | 0.466 | C | S | . | . | trans | -96.6 | 142.2 | 169.3 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | S1308 D1309 | S1304-S1308 PolarHBondContact OG-O 2.77Å; S1304-D1309 WeakPolarHBondContact CB-OD1 3.14Å | ||
| 1305 | Y | 48.5 | Very low | 49.1 | Very low | 140 Ų | 140 | 86.5 Ų | 86.5 | 55% | 0.549 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -105.3 | -20.2 | 176.2 | -90.8 | -94.9 | 0 | 0 | 0 | 113.6 | F1131 I1303 | F1131-Y1305 AromaticContact CE1-CD2 3.75Å; F1131-Y1305 HydrophobicContact CE1-CD2 3.75Å; F1131-Y1305 AromaticContact CE1-CE2 3.64Å; F1131-Y1305 HydrophobicContact CE1-CE2 3.64Å; F1131-Y1305 HydrophobicContact CZ-CD2 4.24Å; F1131-Y1305 AromaticContact CZ-CE2 3.74Å; F1131-Y1305 HydrophobicContact CZ-CE2 3.74Å; I1303-Y1305 HydrophobicContact CG2-CD2 4.07Å; I1303-Y1305 HydrophobicContact CG2-CE2 3.72Å |
| 1306 | N | 48 | Very low | 49.6 | Very low | 122 Ų | 122 | 80.8 Ų | 80.8 | 65% | 0.652 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -137.9 | 33.4 | -165.5 | -82.8 | -14.5 | 0 | 0 | 0 | 113.8 | S1308 | N1306-S1308 PolarHBondContact O-N 2.77Š|
| 1307 | Q | 48.3 | Very low | 49.8 | Very low | 195 Ų | 195 | 78.7 Ų | 78.7 | 91% | 0.911 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 64.9 | -9.4 | 179.1 | -58.1 | -176.2 | -22.7 | 0 | 0 | 117.1 | D1309 | Q1307-D1309 PolarHBondContact O-N 3.08Š|
| 1308 | S | 49.4 | Very low | 49.7 | Very low | 42 Ų | 42 | 79.9 Ų | 79.9 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | trans | -82.7 | 92.9 | 163.2 | 56.8 | 0 | 0 | 0 | 0 | 109.1 | S1130 S1304 N1306 | S1130-S1308 WeakPolarHBondContact CB-O 3Å; S1304-S1308 PolarHBondContact OG-O 2.77Å; N1306-S1308 PolarHBondContact O-N 2.77Å | ||
| 1309 | D | 52.7 | Low | 49.3 | Very low | 109 Ų | 109 | 80.5 Ų | 80.5 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 147.5 | 169 | -75.8 | -33.2 | 0 | 0 | 0 | 110.4 | S1304 Q1307 V1311 | S1304-D1309 WeakPolarHBondContact CB-OD1 3.14Å; Q1307-D1309 PolarHBondContact O-N 3.08Å; D1309-V1311 PolarHBondContact O-N 2.88Å |
| 1310 | P | 54.4 | Low | 48.2 | Very low | 13 Ų | 13 | 89.8 Ų | 89.8 | 8% | 0.084 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 126.7 | 176.3 | -16.8 | 25.4 | 0 | 0 | 0 | 111.3 | L1124 L1126 V1132 F1302 | L1124-P1310 HydrophobicContact CD2-CB 3.44Å; L1124-P1310 VanDerWaalsContact CD2-CB 3.44Å; L1124-P1310 HydrophobicContact CD2-CG 4.42Å; L1124-P1310 HydrophobicContact CG-CB 4.45Å; L1126-P1310 HydrophobicContact CD2-CB 4.22Å; V1132-P1310 HydrophobicContact CG2-CB 4.3Å; V1132-P1310 HydrophobicContact CG2-CG 4.03Å; F1302-P1310 HydrophobicContact CD1-CG 4.26Å |
| 1311 | V | 58.5 | Low | 47.3 | Very low | 88 Ų | 88 | 92.3 Ų | 92.3 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.4 | -173.4 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | Q1125 D1309 T1313 | Q1125-V1311 PolarHBondContact N-O 3.07Å; Q1125-V1311 PolarHBondContact O-N 2.87Å; Q1125-V1311 VanDerWaalsContact O-N 3.16Å; D1309-V1311 PolarHBondContact O-N 2.88Å; V1311-T1313 PolarHBondContact O-N 2.98Å |
| 1312 | F | 55.6 | Low | 46.3 | Very low | 91 Ų | 91 | 91.8 Ų | 91.8 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 116.8 | 166.9 | -79.6 | -75.3 | 0 | 0 | 0 | 109.9 | F1122 G1123 L1124 F1290 F1302 | F1122-F1312 HydrophobicContact CB-CD1 4.32Å; F1122-F1312 HydrophobicContact CD1-CB 3.86Å; F1122-F1312 HydrophobicContact CE1-CB 4.24Å; G1123-F1312 WeakPolarHBondContact O-CA 3.4Å; L1124-F1312 HydrophobicContact CD1-CD1 4.4Å; L1124-F1312 HydrophobicContact CD1-CE1 3.7Å; L1124-F1312 HydrophobicContact CD1-CZ 3.82Å; L1124-F1312 HydrophobicContact CG-CE1 4.3Å; F1290-F1312 HydrophobicContact CE1-CE1 4.44Å; F1302-F1312 AromaticContact CE1-CE2 3.65Å; F1302-F1312 HydrophobicContact CE1-CE2 3.65Å; F1302-F1312 AromaticContact CE1-CZ 3.84Å; F1302-F1312 HydrophobicContact CE1-CZ 3.84Å; F1302-F1312 AromaticContact CZ-CE2 3.62Å; F1302-F1312 HydrophobicContact CZ-CE2 3.62Å; F1302-F1312 AromaticContact CZ-CZ 3.76Å; F1302-F1312 HydrophobicContact CZ-CZ 3.76Å |
| 1313 | T | 52 | Low | 45.4 | Very low | 54 Ų | 54 | 93 Ų | 93 | 33% | 0.331 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 172.3 | -176.3 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | G1123 Q1125 V1311 C1315 | G1123-T1313 CarbonylContact C-O 3.53Å; G1123-T1313 WeakPolarHBondContact CA-O 3.43Å; G1123-T1313 PolarHBondContact N-O 2.94Å; G1123-T1313 PolarHBondContact O-N 3.39Å; G1123-T1313 VanDerWaalsContact O-O 3.06Å; Q1125-T1313 HydrophobicContact CB-CG2 3.57Å; V1311-T1313 PolarHBondContact O-N 2.98Å; T1313-C1315 PolarHBondContact O-N 2.97Å |
| 1314 | S | 53.8 | Low | 44.1 | Very low | 28 Ų | 28 | 97 Ų | 97 | 20% | 0.196 | 53% | 0.531 | C | S | . | . | trans | -82.7 | 113.9 | 174.6 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | R1111 N1121 | R1111-S1314 PolarHBondContact NH1-OG 2.83Å; R1111-S1314 PolarHBondContact NH2-OG 3.44Å; N1121-S1314 WeakPolarHBondContact O-CA 3.44Å | ||
| 1315 | C | 54.2 | Low | 43.1 | Very low | 26 Ų | 26 | 101.1 Ų | 101.1 | 18% | 0.176 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -69 | 135.7 | 168.1 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | C1271 T1313 | C1271-C1315 HydrophobicContact CB-CB 3.89Å; C1271-C1315 WeakPolarHBondContact CB-SG 3.11Å; C1271-C1315 WeakPolarHBondContact SG-CA 3.17Å; C1271-C1315 WeakPolarHBondContact SG-CB 3.41Å; C1271-C1315 CovalentContact SG-SG 2.03Å; C1271-C1315 PolarHBondContact SG-SG 3.24Å; T1313-C1315 PolarHBondContact O-N 2.97Å |
| 1316 | A | 46.1 | Very low | 42 | Very low | 48 Ų | 48 | 100.9 Ų | 100.9 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 159.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1317 | S | 38.1 | Very low | 40.9 | Very low | 108 Ų | 108 | 101.5 Ų | 101.5 | 76% | 0.755 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 164.6 | -165.6 | 63.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1318 | F | 40.6 | Very low | 40 | Very low | 97 Ų | 97 | 100.7 Ų | 100.7 | 43% | 0.425 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -99.9 | 157.1 | -165.4 | 175.9 | -93.1 | 0 | 0 | 0 | 114.8 | R1215 F1217 R1320 | R1215-F1318 HydrophobicContact CB-CD2 4.42Å; F1217-F1318 AromaticContact CE2-CD2 4Å; F1217-F1318 HydrophobicContact CE2-CD2 4Å; F1217-F1318 HydrophobicContact CE2-CE2 4.05Å; F1318-R1320 HydrophobicContact CE1-CB 3.75Å; F1318-R1320 HydrophobicContact CE1-CG 4.19Å; F1318-R1320 HydrophobicContact CZ-CB 4.24Å; F1318-R1320 HydrophobicContact CZ-CG 4.33Å |
| 1319 | E | 31.6 | Very low | 39.1 | Very low | 172 Ų | 172 | 104.7 Ų | 104.7 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | trans | -137.8 | 150 | 161.4 | -161.1 | 169.1 | -129.7 | 0 | 0 | 110 | ||||
| 1320 | R | 26.9 | Very low | 38.1 | Very low | 212 Ų | 212 | 106.6 Ų | 106.6 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 125 | -167.5 | -163.9 | -174.4 | -74 | 176.7 | -3.2 | 112.2 | F1318 | F1318-R1320 HydrophobicContact CE1-CB 3.75Å; F1318-R1320 HydrophobicContact CE1-CG 4.19Å; F1318-R1320 HydrophobicContact CZ-CB 4.24Å; F1318-R1320 HydrophobicContact CZ-CG 4.33Å |
| 1321 | P | 31.4 | Very low | 37 | Very low | 100 Ų | 100 | 110 Ų | 110 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 140.3 | 175.1 | -21.7 | 33.4 | 0 | 0 | 0 | 113.3 | ||
| 1322 | P | 32.1 | Very low | 36 | Very low | 119 Ų | 119 | 112.2 Ų | 112.2 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 154.6 | 176.2 | 31 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 1323 | P | 29.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 111.9 Ų | 111.9 | 79% | 0.786 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136 | -176.7 | 29.1 | -34.6 | 0 | 0 | 0 | 113.1 | ||
| 1324 | S | 25.9 | Very low | 35.1 | Very low | 117 Ų | 117 | 114 Ų | 114 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 128.8 | 174 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1325 | T | 27 | Very low | 34.7 | Very low | 122 Ų | 122 | 121 Ų | 121 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -108.6 | 121.7 | 172.1 | 45.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1326 | T | 25.1 | Very low | 34.3 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 83% | 0.828 | 70% | 0.702 | S | S | * | * | trans | -76.9 | 142.3 | 174.3 | 42.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1327 | V | 26.4 | Very low | 34.3 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -131.7 | 131.4 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1328 | E | 29.5 | Very low | 34.9 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -134.2 | 171.4 | 176.8 | -60.9 | -177.7 | 152.3 | 0 | 0 | 108.9 | ||||
| 1329 | P | 29.5 | Very low | 35.7 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | cis | -116.7 | -179.2 | -38.1 | 33.1 | -17.7 | 0 | 0 | 0 | 111.8 | ||||
| 1330 | L | 31.8 | Very low | 37.4 | Very low | 148 Ų | 148 | 125 Ų | 125 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 145.5 | -167.8 | -142.4 | 75 | 0 | 0 | 0 | 114.4 | ||
| 1331 | A | 31.9 | Very low | 39.3 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 142.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1332 | T | 38.1 | Very low | 41 | Very low | 135 Ų | 135 | 119.4 Ų | 119.4 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 149.5 | 177.8 | 45.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1333 | M | 38.5 | Very low | 42.7 | Very low | 84 Ų | 84 | 117 Ų | 117 | 41% | 0.414 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -74 | 141.1 | 177.2 | -166.8 | 174 | -179.9 | 0 | 0 | 110.8 | I503 | I503-M1333 HydrophobicContact CD1-CB 3.89Å; I503-M1333 HydrophobicContact CD1-CG 4.45Å |
| 1334 | P | 48.6 | Very low | 44.3 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -69 | 147.3 | 171.4 | 28.3 | -34.5 | 0 | 0 | 0 | 111.9 | ||
| 1335 | E | 45.7 | Very low | 45.9 | Very low | 177 Ų | 177 | 118.1 Ų | 118.1 | 83% | 0.827 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 159.1 | 176.9 | -66.7 | -170.2 | 152.1 | 0 | 0 | 113 | N1337 | E1335-N1337 PolarHBondContact O-N 2.8Š|
| 1336 | W | 45.3 | Very low | 46.9 | Very low | 83 Ų | 83 | 118 Ų | 118 | 31% | 0.314 | 64% | 0.64 | S | S | . | * | trans | -87.2 | 101.6 | -173.9 | -123 | 88.9 | 0 | 0 | 0 | 111.1 | N537 E557 V1338 | N537-W1336 HydrophobicContact CB-CD2 4.4Å; N537-W1336 HydrophobicContact CB-CE3 3.64Å; N537-W1336 HydrophobicContact CB-CH2 3.56Å; N537-W1336 HydrophobicContact CB-CZ2 4.27Å; N537-W1336 HydrophobicContact CB-CZ3 3.18Å; E557-W1336 HydrophobicContact CB-CH2 4.26Å; W1336-V1338 HydrophobicContact CE3-CB 3.92Å; W1336-V1338 HydrophobicContact CZ3-CB 3.56Å; W1336-V1338 HydrophobicContact CZ3-CG1 3.98Å; W1336-V1338 HydrophobicContact CZ3-CG2 4.49Å; W1336-V1338 PolarHBondContact O-N 2.98Å | ||
| 1337 | N | 47.2 | Very low | 47.9 | Very low | 148 Ų | 148 | 119.5 Ų | 119.5 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | trans | -94.8 | 24.2 | -173.7 | -70.8 | -8.5 | 0 | 0 | 0 | 115.2 | E1335 | E1335-N1337 PolarHBondContact O-N 2.8Š| ||
| 1338 | V | 51.5 | Low | 48.5 | Very low | 84 Ų | 84 | 118.6 Ų | 118.6 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -119.7 | 120.1 | 177.9 | 170.4 | 0 | 0 | 0 | 0 | 109.1 | W1336 | W1336-V1338 HydrophobicContact CE3-CB 3.92Å; W1336-V1338 HydrophobicContact CZ3-CB 3.56Å; W1336-V1338 HydrophobicContact CZ3-CG1 3.98Å; W1336-V1338 HydrophobicContact CZ3-CG2 4.49Å; W1336-V1338 PolarHBondContact O-N 2.98Å |
| 1339 | E | 56.8 | Low | 48.4 | Very low | 180 Ų | 180 | 116.7 Ų | 116.7 | 84% | 0.841 | 63% | 0.628 | S | S | * | * | trans | -66.6 | 149.5 | -177.4 | -64.3 | -172.2 | 154.9 | 0 | 0 | 112.3 | E1341 | E1339-E1341 PolarHBondContact O-N 2.71Š| ||
| 1340 | L | 66.3 | Low | 48.4 | Very low | 40 Ų | 40 | 117 Ų | 117 | 21% | 0.209 | 63% | 0.628 | C | S | . | * | trans | -75.5 | 107.4 | 179.4 | -177.3 | 67.8 | 0 | 0 | 0 | 110.6 | N537 F538 F554 L555 T1342 | N537-L1340 WeakPolarHBondContact ND2-CD1 3.45Å; F538-L1340 HydrophobicContact CD2-CD1 4.23Å; F538-L1340 HydrophobicContact CD2-CD2 4.14Å; F538-L1340 HydrophobicContact CE2-CD2 4.44Å; F554-L1340 HydrophobicContact CD1-CD2 3.41Å; F554-L1340 VanDerWaalsContact CD1-CD2 3.41Å; F554-L1340 HydrophobicContact CD1-CG 3.97Å; F554-L1340 HydrophobicContact CE1-CD2 3.9Å; F554-L1340 HydrophobicContact CG-CD2 4.41Å; L555-L1340 WeakPolarHBondContact O-CD1 3.46Å; L1340-T1342 PolarHBondContact O-N 3.43Å | ||
| 1341 | E | 66.7 | Low | 48.1 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | trans | -64.3 | 127.5 | 175.9 | -73.4 | -161.8 | 163.1 | 0 | 0 | 111.9 | L555 E1339 | L555-E1341 HydrophobicContact CB-CB 4.29Å; L555-E1341 HydrophobicContact CD1-CB 4.21Å; L555-E1341 PolarHBondContact N-O 3.27Å; L555-E1341 VanDerWaalsContact N-O 3.09Å; E1339-E1341 PolarHBondContact O-N 2.71Å | ||
| 1342 | T | 67.7 | Low | 47.8 | Very low | 60 Ų | 60 | 119 Ų | 119 | 37% | 0.368 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.1 | 178.9 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | T552 F554 L1340 | T552-T1342 HydrophobicContact CG2-CG2 4.15Å; F554-T1342 HydrophobicContact CD1-CG2 3.6Å; F554-T1342 HydrophobicContact CE1-CG2 3.64Å; L1340-T1342 PolarHBondContact O-N 3.43Å |
| 1343 | V | 67.6 | Low | 47.1 | Very low | 70 Ų | 70 | 118.6 Ų | 118.6 | 42% | 0.424 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.5 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | T552 T553 L555 | T552-V1343 CarbonylContact C-O 3.6Å; T552-V1343 WeakPolarHBondContact CA-O 3.3Å; T553-V1343 PolarHBondContact N-O 3.32Å; T553-V1343 PolarHBondContact O-N 2.72Å; L555-V1343 HydrophobicContact CD1-CG2 4.19Å; L555-V1343 HydrophobicContact CG-CG2 4.48Å |
| 1344 | R | 63.8 | Low | 46.4 | Very low | 169 Ų | 169 | 121.6 Ų | 121.6 | 64% | 0.638 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 131 | -179.6 | -59.8 | 179.3 | -173.3 | 178.8 | 0.5 | 110.7 | ||
| 1345 | H | 58.4 | Low | 45.2 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 42% | 0.421 | 67% | 0.665 | S | S | . | * | trans | -92.6 | 134.9 | 176.3 | -57.5 | -85.1 | 0 | 0 | 0 | 110.5 | D551 T553 | D551-H1345 HydrophobicContact CB-CB 3.93Å; D551-H1345 PolarHBondContact O-N 2.77Å; T553-H1345 PolarHBondContact OG1-NE2 2.04Å | ||
| 1346 | S | 49.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | trans | -99.3 | 115.7 | 175.8 | 43.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1347 | R | 46.2 | Very low | 43.3 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 63% | 0.634 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 129.9 | 178.3 | -160.8 | 179.1 | -73.4 | -169.7 | 4 | 110.2 | D551 G650 T1349 | D551-R1347 IonicContact OD1-NH2 2.73Å; D551-R1347 IonicContact OD2-CZ 3.2Å; D551-R1347 IonicContact OD2-NE 2.69Å; D551-R1347 IonicContact OD2-NH2 2.84Å; D551-R1347 PolarHBondContact OD2-NH2 3.31Å; G650-R1347 PolarHBondContact O-NH2 2.82Å; R1347-T1349 PolarHBondContact O-N 2.69Å |
| 1348 | P | 38.7 | Very low | 42.3 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 131.6 | 174.2 | -22.5 | 33.7 | 0 | 0 | 0 | 111.5 | ||
| 1349 | T | 27.3 | Very low | 41 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 85% | 0.847 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 122.3 | 176.3 | 17.8 | 0 | 0 | 0 | 0 | 110.9 | R1347 | R1347-T1349 PolarHBondContact O-N 2.69Š|
| 1350 | T | 30.1 | Very low | 39.6 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | -141.5 | 111.9 | 162.8 | -41 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1351 | T | 24.6 | Very low | 37.7 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | -90.4 | 123.8 | -178.4 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1352 | T | 25.9 | Very low | 35.8 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -155.9 | 131.1 | 143.9 | 9.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1353 | T | 23.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -94.7 | 140.7 | 178.1 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1354 | T | 24.6 | Very low | 31.6 | Very low | 147 Ų | 147 | 139 Ų | 139 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -163.7 | 138.8 | 130.1 | 15.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1355 | T | 22.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | -101.3 | 152.5 | 174.2 | 42.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1356 | T | 26.6 | Very low | 28.2 | Very low | 143 Ų | 143 | 141 Ų | 141 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | -179.9 | 146.2 | 120.8 | 23.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1357 | E | 23.9 | Very low | 27 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -92.1 | 170.2 | -177.5 | -58.7 | 152.7 | 145.9 | 0 | 0 | 111 | ||||
| 1358 | I | 26.3 | Very low | 25.9 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | -174.7 | 139.5 | 124.5 | -91.5 | 150.7 | 0 | 0 | 0 | 109.3 | |||||
| 1359 | T | 24.6 | Very low | 25.3 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -114.2 | 156.4 | -178 | 43 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1360 | T | 26.5 | Very low | 25.2 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -166.4 | 121.7 | 157.1 | 9.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1361 | T | 27.1 | Very low | 25.2 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 63% | 0.626 | 80% | 0.802 | S | S | * | * | trans | 48.4 | 115.3 | 135 | 57.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1362 | E | 26.9 | Very low | 25.5 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | 80.3 | 155.8 | 74.9 | -74.5 | 160.1 | -117.3 | 0 | 0 | 115.8 | |||||
| 1363 | L | 21.9 | Very low | 25.5 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | cis | -179.5 | 124.6 | -27.4 | 174.3 | 149.4 | 0 | 0 | 0 | 108.2 | ||||
| 1364 | L | 25.7 | Very low | 25.8 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -163 | 117 | 176.5 | -103.2 | 153.1 | 0 | 0 | 0 | 116.2 | ||||
| 1365 | Q | 26.1 | Very low | 25.9 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | 34.4 | 125.5 | 132.9 | -61.4 | 175 | -9.7 | 0 | 0 | 121.4 | ||||
| 1366 | I | 23.3 | Very low | 26 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | 78.4 | 118.8 | 56.6 | -61.9 | 166.8 | 0 | 0 | 0 | 114.9 | |||||
| 1367 | T | 24.5 | Very low | 26.3 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 162.9 | 156.5 | 146.9 | 36.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1368 | E | 22.5 | Very low | 26.9 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | cis | 173.1 | 162.3 | -34.3 | -113.6 | -172.4 | -175.6 | 0 | 0 | 107.1 | ||||
| 1369 | A | 26.4 | Very low | 27.4 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 95.6 | 124.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1370 | A | 25.4 | Very low | 27.9 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | 95.5 | 98.6 | 128.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1371 | D | 31.1 | Very low | 28.6 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | 72.2 | 166.1 | 117.9 | -107 | 13.7 | 0 | 0 | 0 | 122.9 | |||||
| 1372 | P | 30.2 | Very low | 29.8 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -132.6 | -173.5 | -135 | 36.7 | -13.1 | 0 | 0 | 0 | 115.4 | ||||
| 1373 | S | 26.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | 157.2 | 151.9 | 134.2 | 58 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1374 | T | 29.9 | Very low | 33 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 87% | 0.865 | 72% | 0.716 | S | S | * | * | trans | 64.9 | 143.3 | 165.5 | 72 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1375 | G | 26 | Very low | 34.9 | Very low | 65 Ų | 65 | 119.8 Ų | 119.8 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | cis | 173.7 | 171.5 | -10.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1376 | W | 25.4 | Very low | 36.9 | Very low | 244 Ų | 244 | 116 Ų | 116 | 92% | 0.924 | 69% | 0.69 | S | S | * | * | trans | 76 | 93.9 | 159.9 | -66.5 | 64.7 | 0 | 0 | 0 | 121.9 | ||||
| 1377 | N | 32.7 | Very low | 39.4 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | 46.6 | 89.9 | 125.8 | -67.5 | -16.3 | 0 | 0 | 0 | 121.6 | L1379 | N1377-L1379 HydrophobicContact CB-CB 4.42Š| |||
| 1378 | K | 37.2 | Very low | 41.9 | Very low | 202 Ų | 202 | 112 Ų | 112 | 88% | 0.878 | 67% | 0.666 | S | S | * | * | trans | -106.2 | 45.4 | 137 | -75.2 | -174.9 | 175.7 | 178.3 | 0 | 110.9 | G1380 | K1378-G1380 PolarHBondContact O-N 2.95Š| ||
| 1379 | L | 35.2 | Very low | 44.6 | Very low | 104 Ų | 104 | 108 Ų | 108 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.6 | -23.3 | -157.5 | -159.8 | 66.7 | 0 | 0 | 0 | 115.1 | N1377 V1383 | N1377-L1379 HydrophobicContact CB-CB 4.42Å; L1379-V1383 HydrophobicContact CD1-CG2 4.18Å; L1379-V1383 HydrophobicContact CG-CG2 3.96Å; L1379-V1383 WeakPolarHBondContact O-CB 3.45Å; L1379-V1383 WeakPolarHBondContact O-CG2 3.48Å; L1379-V1383 PolarHBondContact O-N 2.97Å |
| 1380 | G | 35.2 | Very low | 47.1 | Very low | 65 Ų | 65 | 107 Ų | 107 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.4 | -42.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1378 | K1378-G1380 PolarHBondContact O-N 2.95Å |
| 1381 | V | 41.9 | Very low | 49.7 | Very low | 111 Ų | 111 | 108 Ų | 108 | 67% | 0.673 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.3 | -36.3 | -173.9 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | I1385 | V1381-I1385 HydrophobicContact CG1-CD1 4.37Å; V1381-I1385 PolarHBondContact O-N 3.45Å |
| 1382 | A | 52.3 | Low | 52 | Low | 51 Ų | 51 | 103.8 Ų | 103.8 | 42% | 0.421 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1384 I1385 T1386 | A1382-A1384 VanDerWaalsContact C-N 3.31Å; A1382-A1384 PolarHBondContact O-N 3.5Å; A1382-I1385 PolarHBondContact O-N 3.4Å; A1382-T1386 WeakPolarHBondContact O-CG2 3.3Å; A1382-T1386 PolarHBondContact O-N 2.72Å; A1382-T1386 PolarHBondContact O-OG1 2.87Å; A1382-T1386 VanDerWaalsContact O-OG1 3.04Å |
| 1383 | V | 57.4 | Low | 54.4 | Low | 77 Ų | 77 | 102.9 Ų | 102.9 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.3 | -38.8 | -178.1 | 166.5 | 0 | 0 | 0 | 0 | 112.5 | L1379 T1386 A1387 | L1379-V1383 HydrophobicContact CD1-CG2 4.18Å; L1379-V1383 HydrophobicContact CG-CG2 3.96Å; L1379-V1383 WeakPolarHBondContact O-CB 3.45Å; L1379-V1383 WeakPolarHBondContact O-CG2 3.48Å; L1379-V1383 PolarHBondContact O-N 2.97Å; V1383-T1386 WeakPolarHBondContact CA-OG1 3.04Å; V1383-T1386 PolarHBondContact O-OG1 3.09Å; V1383-T1386 VanDerWaalsContact O-OG1 3.12Å; V1383-A1387 WeakPolarHBondContact O-CB 2.96Å; V1383-A1387 PolarHBondContact O-N 3.32Å |
| 1384 | A | 58.2 | Low | 57 | Low | 64 Ų | 64 | 102.9 Ų | 102.9 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1382 A1387 F1388 | A1382-A1384 VanDerWaalsContact C-N 3.31Å; A1382-A1384 PolarHBondContact O-N 3.5Å; A1384-A1387 PolarHBondContact O-N 3.24Å; A1384-F1388 PolarHBondContact O-N 2.87Å; A1384-F1388 VanDerWaalsContact O-N 3.08Å |
| 1385 | I | 66 | Low | 59.5 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.6 | -41.7 | 179.2 | -62.8 | 171.7 | 0 | 0 | 0 | 110.5 | V1381 A1382 F1388 L1389 | V1381-I1385 HydrophobicContact CG1-CD1 4.37Å; V1381-I1385 PolarHBondContact O-N 3.45Å; A1382-I1385 PolarHBondContact O-N 3.4Å; I1385-F1388 PolarHBondContact O-N 2.82Å; I1385-L1389 HydrophobicContact CG2-CD1 3.92Å; I1385-L1389 HydrophobicContact CG2-CG 4.49Å; I1385-L1389 WeakPolarHBondContact O-CB 3.31Å; I1385-L1389 WeakPolarHBondContact O-CG 3.43Å; I1385-L1389 PolarHBondContact O-N 3.31Å |
| 1386 | T | 67.4 | Low | 61.9 | Low | 75 Ų | 75 | 101.3 Ų | 101.3 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -34.5 | 175.6 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | A1382 V1383 T1390 | A1382-T1386 WeakPolarHBondContact O-CG2 3.3Å; A1382-T1386 PolarHBondContact O-N 2.72Å; A1382-T1386 PolarHBondContact O-OG1 2.87Å; A1382-T1386 VanDerWaalsContact O-OG1 3.04Å; V1383-T1386 WeakPolarHBondContact CA-OG1 3.04Å; V1383-T1386 PolarHBondContact O-OG1 3.09Å; V1383-T1386 VanDerWaalsContact O-OG1 3.12Å; T1386-T1390 VanDerWaalsContact O-CB 3.26Å; T1386-T1390 WeakPolarHBondContact O-CB 3.46Å; T1386-T1390 VanDerWaalsContact O-CG2 3.23Å; T1386-T1390 WeakPolarHBondContact O-CG2 3.41Å; T1386-T1390 PolarHBondContact O-N 2.81Å; T1386-T1390 PolarHBondContact O-OG1 2.98Å |
| 1387 | A | 75.6 | Confident | 64.3 | Low | 51 Ų | 51 | 92.9 Ų | 92.9 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | V1383 A1384 T1390 L1391 | V1383-A1387 WeakPolarHBondContact O-CB 2.96Å; V1383-A1387 PolarHBondContact O-N 3.32Å; A1384-A1387 PolarHBondContact O-N 3.24Å; A1387-T1390 WeakPolarHBondContact CA-OG1 3.49Å; A1387-T1390 PolarHBondContact O-OG1 2.97Å; A1387-T1390 VanDerWaalsContact O-OG1 3.12Å; A1387-L1391 WeakPolarHBondContact O-CB 3.41Å; A1387-L1391 PolarHBondContact O-N 3.22Å |
| 1388 | F | 78.5 | Confident | 66.4 | Low | 143 Ų | 143 | 90.8 Ų | 90.8 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.9 | -48.1 | 176.1 | -170.1 | -96.3 | 0 | 0 | 0 | 112.3 | A1384 I1385 L1391 L1392 | A1384-F1388 PolarHBondContact O-N 2.87Å; A1384-F1388 VanDerWaalsContact O-N 3.08Å; I1385-F1388 PolarHBondContact O-N 2.82Å; F1388-L1391 PolarHBondContact O-N 2.86Å; F1388-L1392 HydrophobicContact CE1-CD1 4.02Å; F1388-L1392 HydrophobicContact CZ-CD1 4.49Å; F1388-L1392 WeakPolarHBondContact O-CB 3.42Å; F1388-L1392 PolarHBondContact O-N 3.22Å |
| 1389 | L | 79.3 | Confident | 67.6 | Low | 96 Ų | 96 | 86.4 Ų | 86.4 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 179.6 | -70.9 | 172.2 | 0 | 0 | 0 | 112.7 | I1385 L1392 V1393 | I1385-L1389 HydrophobicContact CG2-CD1 3.92Å; I1385-L1389 HydrophobicContact CG2-CG 4.49Å; I1385-L1389 WeakPolarHBondContact O-CB 3.31Å; I1385-L1389 WeakPolarHBondContact O-CG 3.43Å; I1385-L1389 PolarHBondContact O-N 3.31Å; L1389-L1392 PolarHBondContact O-N 2.98Å; L1389-V1393 WeakPolarHBondContact O-CG2 2.9Å; L1389-V1393 PolarHBondContact O-N 3.47Å |
| 1390 | T | 77.3 | Confident | 68.8 | Low | 78 Ų | 78 | 86.7 Ų | 86.7 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 175.6 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | T1386 A1387 L1392 V1393 I1394 | T1386-T1390 VanDerWaalsContact O-CB 3.26Å; T1386-T1390 WeakPolarHBondContact O-CB 3.46Å; T1386-T1390 VanDerWaalsContact O-CG2 3.23Å; T1386-T1390 WeakPolarHBondContact O-CG2 3.41Å; T1386-T1390 PolarHBondContact O-N 2.81Å; T1386-T1390 PolarHBondContact O-OG1 2.98Å; A1387-T1390 WeakPolarHBondContact CA-OG1 3.49Å; A1387-T1390 PolarHBondContact O-OG1 2.97Å; A1387-T1390 VanDerWaalsContact O-OG1 3.12Å; T1390-L1392 VanDerWaalsContact C-N 3.3Å; T1390-L1392 PolarHBondContact O-N 3.44Å; T1390-V1393 PolarHBondContact O-N 2.02Å; T1390-I1394 WeakPolarHBondContact O-CB 3.3Å; T1390-I1394 WeakPolarHBondContact O-CD1 3.34Å; T1390-I1394 WeakPolarHBondContact O-CG1 3.06Å; T1390-I1394 PolarHBondContact O-N 2.83Å |
| 1391 | L | 81 | Confident | 69.7 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 174.4 | -147.2 | 110.7 | 0 | 0 | 0 | 111.3 | A1387 F1388 I1394 I1395 | A1387-L1391 WeakPolarHBondContact O-CB 3.41Å; A1387-L1391 PolarHBondContact O-N 3.22Å; F1388-L1391 PolarHBondContact O-N 2.86Å; L1391-I1394 PolarHBondContact O-N 2.75Å; L1391-I1395 HydrophobicContact CD2-CD1 4.13Å; L1391-I1395 VanDerWaalsContact O-CG1 3.3Å; L1391-I1395 WeakPolarHBondContact O-CG1 3.41Å; L1391-I1395 PolarHBondContact O-N 2.76Å |
| 1392 | L | 79.2 | Confident | 70 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 178.9 | -158.7 | 147.6 | 0 | 0 | 0 | 111.9 | F1388 L1389 T1390 I1395 I1396 | F1388-L1392 HydrophobicContact CE1-CD1 4.02Å; F1388-L1392 HydrophobicContact CZ-CD1 4.49Å; F1388-L1392 WeakPolarHBondContact O-CB 3.42Å; F1388-L1392 PolarHBondContact O-N 3.22Å; L1389-L1392 PolarHBondContact O-N 2.98Å; T1390-L1392 VanDerWaalsContact C-N 3.3Å; T1390-L1392 PolarHBondContact O-N 3.44Å; L1392-I1395 PolarHBondContact O-N 2.94Å; L1392-I1396 HydrophobicContact CD2-CD1 3.72Å; L1392-I1396 WeakPolarHBondContact O-CG1 3.32Å; L1392-I1396 PolarHBondContact O-N 3.26Å; L1392-I1396 VanDerWaalsContact O-N 3.09Å |
| 1393 | V | 80.1 | Confident | 69.6 | Low | 84 Ų | 84 | 95 Ų | 95 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 171.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | L1389 T1390 I1395 I1396 V1397 | L1389-V1393 WeakPolarHBondContact O-CG2 2.9Å; L1389-V1393 PolarHBondContact O-N 3.47Å; T1390-V1393 PolarHBondContact O-N 2.02Å; V1393-I1395 PolarHBondContact O-N 3.17Å; V1393-I1396 PolarHBondContact O-N 3.16Å; V1393-V1397 HydrophobicContact CG1-CG2 4.15Å; V1393-V1397 WeakPolarHBondContact O-CB 3.37Å; V1393-V1397 VanDerWaalsContact O-CG2 3.29Å; V1393-V1397 WeakPolarHBondContact O-CG2 3.44Å; V1393-V1397 PolarHBondContact O-N 3.39Å |
| 1394 | I | 81.6 | Confident | 68.6 | Low | 98 Ų | 98 | 100 Ų | 100 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.1 | -72.2 | 163.4 | 0 | 0 | 0 | 110.4 | T1390 L1391 I1396 V1397 C1398 | T1390-I1394 WeakPolarHBondContact O-CB 3.3Å; T1390-I1394 WeakPolarHBondContact O-CD1 3.34Å; T1390-I1394 WeakPolarHBondContact O-CG1 3.06Å; T1390-I1394 PolarHBondContact O-N 2.83Å; L1391-I1394 PolarHBondContact O-N 2.75Å; I1394-I1396 PolarHBondContact O-N 3.35Å; I1394-V1397 PolarHBondContact O-N 3.28Å; I1394-C1398 VanDerWaalsContact O-CB 3.25Å; I1394-C1398 WeakPolarHBondContact O-CB 3.39Å; I1394-C1398 PolarHBondContact O-N 2.8Å; I1394-C1398 PolarHBondContact O-SG 2.8Å |
| 1395 | I | 81.2 | Confident | 67.4 | Low | 91 Ų | 91 | 106 Ų | 106 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.8 | -46.4 | 175.3 | -71.1 | 163.4 | 0 | 0 | 0 | 110.9 | L1391 L1392 V1393 C1398 L1399 | L1391-I1395 HydrophobicContact CD2-CD1 4.13Å; L1391-I1395 VanDerWaalsContact O-CG1 3.3Å; L1391-I1395 WeakPolarHBondContact O-CG1 3.41Å; L1391-I1395 PolarHBondContact O-N 2.76Å; L1392-I1395 PolarHBondContact O-N 2.94Å; V1393-I1395 PolarHBondContact O-N 3.17Å; I1395-C1398 PolarHBondContact O-N 2.82Å; I1395-L1399 HydrophobicContact CG2-CD1 3.98Å; I1395-L1399 WeakPolarHBondContact O-CB 3.42Å; I1395-L1399 WeakPolarHBondContact O-CG 3.33Å; I1395-L1399 PolarHBondContact O-N 3.48Å |
| 1396 | I | 76.5 | Confident | 65.7 | Low | 83 Ų | 83 | 112.5 Ų | 112.5 | 43% | 0.426 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.4 | -45.2 | 177.1 | -69.1 | 168.8 | 0 | 0 | 0 | 111.3 | L1392 V1393 I1394 L1399 L1400 | L1392-I1396 HydrophobicContact CD2-CD1 3.72Å; L1392-I1396 WeakPolarHBondContact O-CG1 3.32Å; L1392-I1396 PolarHBondContact O-N 3.26Å; L1392-I1396 VanDerWaalsContact O-N 3.09Å; V1393-I1396 PolarHBondContact O-N 3.16Å; I1394-I1396 PolarHBondContact O-N 3.35Å; I1396-L1399 PolarHBondContact O-N 2.78Å; I1396-L1400 HydrophobicContact CG2-CD1 3.83Å; I1396-L1400 HydrophobicContact CG2-CG 4.48Å; I1396-L1400 WeakPolarHBondContact O-CB 3.18Å; I1396-L1400 VanDerWaalsContact O-CG 3.26Å; I1396-L1400 WeakPolarHBondContact O-CG 3.34Å; I1396-L1400 PolarHBondContact O-N 3.29Å |
| 1397 | V | 76.7 | Confident | 63.9 | Low | 67 Ų | 67 | 118.4 Ų | 118.4 | 41% | 0.406 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.4 | -39.3 | 178.3 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | V1393 I1394 L1400 L1401 | V1393-V1397 HydrophobicContact CG1-CG2 4.15Å; V1393-V1397 WeakPolarHBondContact O-CB 3.37Å; V1393-V1397 VanDerWaalsContact O-CG2 3.29Å; V1393-V1397 WeakPolarHBondContact O-CG2 3.44Å; V1393-V1397 PolarHBondContact O-N 3.39Å; I1394-V1397 PolarHBondContact O-N 3.28Å; V1397-L1400 PolarHBondContact O-N 3.25Å; V1397-L1401 HydrophobicContact CG1-CD1 3.75Å; V1397-L1401 HydrophobicContact CG1-CG 4.24Å; V1397-L1401 VanDerWaalsContact O-CB 3.31Å; V1397-L1401 WeakPolarHBondContact O-CB 3.08Å; V1397-L1401 VanDerWaalsContact O-CG 3.25Å; V1397-L1401 WeakPolarHBondContact O-CG 3.27Å; V1397-L1401 PolarHBondContact O-N 3.02Å |
| 1398 | C | 75.9 | Confident | 61.6 | Low | 72 Ų | 72 | 125.7 Ų | 125.7 | 49% | 0.486 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.4 | -45.4 | 173.4 | -78.5 | 0 | 0 | 0 | 0 | 111.5 | I1394 I1395 L1400 L1401 W1402 | I1394-C1398 VanDerWaalsContact O-CB 3.25Å; I1394-C1398 WeakPolarHBondContact O-CB 3.39Å; I1394-C1398 PolarHBondContact O-N 2.8Å; I1394-C1398 PolarHBondContact O-SG 2.8Å; I1395-C1398 PolarHBondContact O-N 2.82Å; C1398-L1400 PolarHBondContact O-N 2.74Å; C1398-L1401 PolarHBondContact O-N 3.12Å; C1398-W1402 VanDerWaalsContact O-CB 3.31Å; C1398-W1402 WeakPolarHBondContact O-CB 3.15Å; C1398-W1402 PolarHBondContact O-N 2.97Å |
| 1399 | L | 64 | Low | 59.2 | Low | 111 Ų | 111 | 123.6 Ų | 123.6 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60 | -44.7 | 174.7 | -74.8 | 164.7 | 0 | 0 | 0 | 111.7 | I1395 I1396 W1402 A1403 | I1395-L1399 HydrophobicContact CG2-CD1 3.98Å; I1395-L1399 WeakPolarHBondContact O-CB 3.42Å; I1395-L1399 WeakPolarHBondContact O-CG 3.33Å; I1395-L1399 PolarHBondContact O-N 3.48Å; I1396-L1399 PolarHBondContact O-N 2.78Å; L1399-W1402 PolarHBondContact O-N 3.41Å; L1399-A1403 WeakPolarHBondContact O-CB 3.45Å; L1399-A1403 PolarHBondContact O-N 3.37Å |
| 1400 | L | 59.9 | Low | 56.9 | Low | 110 Ų | 110 | 129.9 Ų | 129.9 | 58% | 0.576 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.4 | -37.4 | 177.3 | -71.6 | 168.9 | 0 | 0 | 0 | 113 | I1396 V1397 C1398 K1404 | I1396-L1400 HydrophobicContact CG2-CD1 3.83Å; I1396-L1400 HydrophobicContact CG2-CG 4.48Å; I1396-L1400 WeakPolarHBondContact O-CB 3.18Å; I1396-L1400 VanDerWaalsContact O-CG 3.26Å; I1396-L1400 WeakPolarHBondContact O-CG 3.34Å; I1396-L1400 PolarHBondContact O-N 3.29Å; V1397-L1400 PolarHBondContact O-N 3.25Å; C1398-L1400 PolarHBondContact O-N 2.74Å; L1400-K1404 PolarHBondContact O-N 3.18Å; L1400-K1404 VanDerWaalsContact O-N 3.08Å |
| 1401 | L | 54.4 | Low | 54.5 | Low | 109 Ų | 109 | 133.3 Ų | 133.3 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.9 | -34.4 | 175.5 | -74.1 | 172.5 | 0 | 0 | 0 | 112.2 | V1397 C1398 K1404 K1405 | V1397-L1401 HydrophobicContact CG1-CD1 3.75Å; V1397-L1401 HydrophobicContact CG1-CG 4.24Å; V1397-L1401 VanDerWaalsContact O-CB 3.31Å; V1397-L1401 WeakPolarHBondContact O-CB 3.08Å; V1397-L1401 VanDerWaalsContact O-CG 3.25Å; V1397-L1401 WeakPolarHBondContact O-CG 3.27Å; V1397-L1401 PolarHBondContact O-N 3.02Å; C1398-L1401 PolarHBondContact O-N 3.12Å; L1401-K1404 PolarHBondContact O-N 3.12Å; L1401-K1405 PolarHBondContact O-N 3.05Å |
| 1402 | W | 46.7 | Very low | 51.9 | Low | 217 Ų | 217 | 132.8 Ų | 132.8 | 82% | 0.822 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.6 | -44.6 | 173.8 | -150.2 | 66.1 | 0 | 0 | 0 | 110.5 | C1398 L1399 K1404 K1405 | C1398-W1402 VanDerWaalsContact O-CB 3.31Å; C1398-W1402 WeakPolarHBondContact O-CB 3.15Å; C1398-W1402 PolarHBondContact O-N 2.97Å; L1399-W1402 PolarHBondContact O-N 3.41Å; W1402-K1404 VanDerWaalsContact C-N 3.32Å; W1402-K1404 PolarHBondContact O-N 2.65Å; W1402-K1405 PolarHBondContact O-N 3.41Å |
| 1403 | A | 44.7 | Very low | 49.4 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 63% | 0.628 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -60.2 | -36.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1399 K1405 | L1399-A1403 WeakPolarHBondContact O-CB 3.45Å; L1399-A1403 PolarHBondContact O-N 3.37Å; A1403-K1405 VanDerWaalsContact C-N 3.31Å; A1403-K1405 PolarHBondContact O-N 2.85Å |
| 1404 | K | 37.4 | Very low | 47.1 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.2 | -12.4 | 178.5 | -96.1 | -178.5 | 173.9 | 176 | 0 | 115.2 | L1400 L1401 W1402 | L1400-K1404 PolarHBondContact O-N 3.18Å; L1400-K1404 VanDerWaalsContact O-N 3.08Å; L1401-K1404 PolarHBondContact O-N 3.12Å; W1402-K1404 VanDerWaalsContact C-N 3.32Å; W1402-K1404 PolarHBondContact O-N 2.65Å |
| 1405 | K | 32.9 | Very low | 44.3 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 3.7 | -173.6 | -123.1 | 179.5 | -177.1 | -178.6 | 0 | 116 | L1401 W1402 A1403 | L1401-K1405 PolarHBondContact O-N 3.05Å; W1402-K1405 PolarHBondContact O-N 3.41Å; A1403-K1405 VanDerWaalsContact C-N 3.31Å; A1403-K1405 PolarHBondContact O-N 2.85Å |
| 1406 | R | 30.1 | Very low | 41.9 | Very low | 238 Ų | 238 | 149.1 Ų | 149.1 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 18.1 | -176.3 | -93.7 | -170.1 | 176.8 | -171.5 | 0.5 | 117 | ||
| 1407 | K | 29.2 | Very low | 39.5 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | trans | -126.5 | 78.3 | 174 | -72.4 | -170.7 | 176.4 | -176.8 | 0 | 113.2 | ||||
| 1408 | K | 28.2 | Very low | 37 | Very low | 205 Ų | 205 | 159 Ų | 159 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -160.3 | 143.9 | 160.4 | -104.8 | 175.3 | -173.8 | -175.6 | 0 | 109.1 | ||||
| 1409 | S | 28.1 | Very low | 34.9 | Very low | 98 Ų | 98 | 162.9 Ų | 162.9 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 128.2 | -157.8 | -149.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1410 | Y | 30.7 | Very low | 33.2 | Very low | 228 Ų | 228 | 161 Ų | 161 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | cis | -112.6 | 167.2 | 22.4 | -76.9 | -96.6 | 0 | 0 | 0 | 115 | ||||
| 1411 | L | 26.4 | Very low | 31.7 | Very low | 150 Ų | 150 | 167.8 Ų | 167.8 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -121.5 | 157 | -171.4 | -159.5 | 87.1 | 0 | 0 | 0 | 110.3 | ||||
| 1412 | T | 27.1 | Very low | 30.3 | Very low | 105 Ų | 105 | 174.3 Ų | 174.3 | 64% | 0.644 | 81% | 0.807 | S | S | * | * | trans | 74.3 | 138.9 | 150.3 | 30.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1413 | N | 26.5 | Very low | 29.4 | Very low | 139 Ų | 139 | 173.5 Ų | 173.5 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | 74.7 | 137.1 | 157.9 | -54.5 | -12.1 | 0 | 0 | 0 | 116.2 | ||||
| 1414 | E | 30.2 | Very low | 28.7 | Very low | 188 Ų | 188 | 175 Ų | 175 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | cis | -147.5 | 165.3 | 25.1 | -139.4 | 152.8 | -128.8 | 0 | 0 | 113.4 | ||||
| 1415 | K | 24.5 | Very low | 28.3 | Very low | 184 Ų | 184 | 175.2 Ų | 175.2 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -107.9 | 140 | 177.1 | -73.9 | 174.6 | 174.3 | 174.2 | 0 | 110.5 | ||||
| 1416 | H | 29.6 | Very low | 28.1 | Very low | 183 Ų | 183 | 172.4 Ų | 172.4 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | 172.2 | 107.3 | 144.4 | -92.2 | -67.7 | 0 | 0 | 0 | 107.2 | ||||
| 1417 | I | 25.7 | Very low | 27.7 | Very low | 134 Ų | 134 | 167.1 Ų | 167.1 | 69% | 0.687 | 81% | 0.814 | S | S | * | * | 67.5 | 110.7 | 72.3 | -61.7 | -178.3 | 0 | 0 | 0 | 114.8 | |||||
| 1418 | R | 25.8 | Very low | 27.8 | Very low | 223 Ų | 223 | 169.9 Ų | 169.9 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | 66.2 | 131.7 | 158.2 | -75.3 | 177.3 | -173.6 | -170.5 | 1.9 | 117.3 | ||||
| 1419 | N | 30.5 | Very low | 27.8 | Very low | 155 Ų | 155 | 168.2 Ų | 168.2 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | cis | -163.4 | 155.7 | 46.5 | -105 | -27.6 | 0 | 0 | 0 | 114.8 | ||||
| 1420 | G | 28 | Very low | 27.7 | Very low | 71 Ų | 71 | 171.8 Ų | 171.8 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | -27.6 | 141.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1421 | R | 30.1 | Very low | 27.6 | Very low | 253 Ų | 253 | 168.7 Ų | 168.7 | 96% | 0.955 | 83% | 0.831 | S | S | * | * | trans | -131.3 | 113.9 | 130.2 | -73.8 | -168.9 | 176.5 | 179.9 | -0.9 | 109.7 | ||||
| 1422 | R | 24.6 | Very low | 27.7 | Very low | 245 Ų | 245 | 169.8 Ų | 169.8 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -94.7 | 135.8 | 158.3 | -84.1 | -177.9 | 173.1 | 175.2 | -3.8 | 107.2 | ||||
| 1423 | F | 27.7 | Very low | 27.7 | Very low | 201 Ų | 201 | 173.9 Ų | 173.9 | 88% | 0.882 | 85% | 0.845 | S | S | * | * | trans | -133.6 | 146.9 | 149.3 | -103 | -93.5 | 0 | 0 | 0 | 107.5 | ||||
| 1424 | P | 30.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 176.2 Ų | 176.2 | 69% | 0.688 | 85% | 0.852 | S | S | * | * | trans | -100.6 | 162 | -148.9 | 5.9 | 14.7 | 0 | 0 | 0 | 114.2 | V1426 | P1424-V1426 PolarHBondContact O-N 2.82Š| ||
| 1425 | E | 27 | Very low | 27.6 | Very low | 187 Ų | 187 | 175.4 Ų | 175.4 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -57.1 | 129.8 | 161.5 | -65 | 162.7 | 140.5 | 0 | 0 | 110 | ||||
| 1426 | V | 29.6 | Very low | 27.8 | Very low | 130 Ų | 130 | 174.7 Ų | 174.7 | 79% | 0.788 | 85% | 0.854 | S | S | * | * | trans | -105.9 | 102.4 | 162.1 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | P1424 Q1428 | P1424-V1426 PolarHBondContact O-N 2.82Å; V1426-Q1428 PolarHBondContact O-N 3.26Å | ||
| 1427 | C | 21.5 | Very low | 27.7 | Very low | 127 Ų | 127 | 174 Ų | 174 | 86% | 0.858 | 86% | 0.855 | S | S | * | * | trans | -77.5 | 112.6 | 160 | -68.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1428 | Q | 31.1 | Very low | 27.9 | Very low | 256 Ų | 256 | 177.6 Ų | 177.6 | 100% | 1.196 | 87% | 0.87 | S | S | * | * | trans | -144.7 | 0 | 151.9 | -150.8 | 176.6 | 15 | 0 | 0 | 109.2 | V1426 | V1426-Q1428 PolarHBondContact O-N 3.26Š|
Retrieved 1,428 of 1,428 residues in 1579.7 ms
(Link to these results)