| 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 | 42.1 | Very low | 42.2 | Very low | 227 Ų | 227 | 133.3 Ų | 133.3 | 100% | 1.118 | 66% | 0.663 | S | S | * | * | 0 | 60.2 | 0 | -70.6 | 164.2 | 80.1 | 0 | 0 | 109.9 | |||||
| 2 | T | 46.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | -134.2 | -4.4 | -166.4 | 38 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3 | G | 36.9 | Very low | 42.2 | Very low | 52 Ų | 52 | 134 Ų | 134 | 54% | 0.536 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -90.4 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V7 | G3-V7 PolarHBondContact O-N 3.22Š|
| 4 | M | 33.3 | Very low | 42 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.5 | -34.4 | -171.1 | -140.9 | 161.4 | 72.1 | 0 | 0 | 112.8 | H6 V7 W8 | M4-H6 VanDerWaalsContact C-N 3.34Å; M4-H6 PolarHBondContact O-N 2.79Å; M4-V7 PolarHBondContact O-N 3.1Å; M4-W8 PolarHBondContact O-N 2.74Å |
| 5 | D | 37.3 | Very low | 41.9 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68 | -31.6 | 174.4 | -87.2 | -21.4 | 0 | 0 | 0 | 112.7 | R9 | D5-R9 WeakPolarHBondContact O-CB 3.21Å; D5-R9 PolarHBondContact O-N 3.18Å |
| 6 | H | 38.5 | Very low | 41.8 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 54% | 0.542 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.3 | -34.1 | -179.4 | -152.4 | -12.8 | 0 | 0 | 0 | 112 | M4 K10 | M4-H6 VanDerWaalsContact C-N 3.34Å; M4-H6 PolarHBondContact O-N 2.79Å; H6-K10 WeakPolarHBondContact O-CG 3.5Å; H6-K10 PolarHBondContact O-N 3.13Å; H6-K10 VanDerWaalsContact O-N 3.14Å |
| 7 | V | 51.3 | Low | 41.6 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71 | -44.7 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | G3 M4 R9 K10 I11 | G3-V7 PolarHBondContact O-N 3.22Å; M4-V7 PolarHBondContact O-N 3.1Å; V7-R9 PolarHBondContact O-N 2.94Å; V7-K10 PolarHBondContact O-N 2.76Å; V7-I11 HydrophobicContact CG1-CD1 3.65Å; V7-I11 HydrophobicContact CG1-CG1 4.33Å; V7-I11 WeakPolarHBondContact O-CB 3.49Å; V7-I11 VanDerWaalsContact O-CG1 3.27Å; V7-I11 WeakPolarHBondContact O-CG1 3.32Å; V7-I11 PolarHBondContact O-N 3.37Å |
| 8 | W | 43.9 | Very low | 41.2 | Very low | 157 Ų | 157 | 117.4 Ų | 117.4 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.3 | -40.8 | 174.9 | -101.3 | 86.4 | 0 | 0 | 0 | 112.5 | M4 K10 I11 F12 | M4-W8 PolarHBondContact O-N 2.74Å; W8-K10 PolarHBondContact O-N 3.1Å; W8-I11 PolarHBondContact O-N 2.58Å; W8-F12 HydrophobicContact CE3-CD2 4.31Å; W8-F12 HydrophobicContact CZ3-CD2 4.26Å; W8-F12 VanDerWaalsContact O-CB 3.26Å; W8-F12 WeakPolarHBondContact O-CB 3.16Å; W8-F12 PolarHBondContact O-N 3.02Å |
| 9 | R | 39.9 | Very low | 40.7 | Very low | 198 Ų | 198 | 114.6 Ų | 114.6 | 75% | 0.747 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.5 | -40.2 | 174.3 | -118.6 | 174.8 | 167.7 | -176.3 | -4.4 | 112.5 | D5 V7 F13 | D5-R9 WeakPolarHBondContact O-CB 3.21Å; D5-R9 PolarHBondContact O-N 3.18Å; V7-R9 PolarHBondContact O-N 2.94Å; R9-F13 VanDerWaalsContact O-CB 3.26Å; R9-F13 WeakPolarHBondContact O-CB 3.32Å; R9-F13 PolarHBondContact O-N 3.44Å |
| 10 | K | 43.4 | Very low | 40.1 | Very low | 146 Ų | 146 | 115 Ų | 115 | 64% | 0.635 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.7 | -37.1 | 176.8 | -77.6 | -171.8 | 177.4 | -173.2 | 0 | 112.4 | H6 V7 W8 A14 | H6-K10 WeakPolarHBondContact O-CG 3.5Å; H6-K10 PolarHBondContact O-N 3.13Å; H6-K10 VanDerWaalsContact O-N 3.14Å; V7-K10 PolarHBondContact O-N 2.76Å; W8-K10 PolarHBondContact O-N 3.1Å; K10-A14 WeakPolarHBondContact O-CB 3.21Å; K10-A14 PolarHBondContact O-N 2.94Å |
| 11 | I | 51 | Low | 39.6 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 41% | 0.41 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.2 | -41.2 | 174.1 | -68.9 | 170.4 | 0 | 0 | 0 | 110.2 | V7 W8 A14 I15 | V7-I11 HydrophobicContact CG1-CD1 3.65Å; V7-I11 HydrophobicContact CG1-CG1 4.33Å; V7-I11 WeakPolarHBondContact O-CB 3.49Å; V7-I11 VanDerWaalsContact O-CG1 3.27Å; V7-I11 WeakPolarHBondContact O-CG1 3.32Å; V7-I11 PolarHBondContact O-N 3.37Å; W8-I11 PolarHBondContact O-N 2.58Å; I11-A14 PolarHBondContact O-N 3.3Å; I11-I15 HydrophobicContact CG2-CD1 3.57Å; I11-I15 HydrophobicContact CG2-CG1 4.25Å; I11-I15 VanDerWaalsContact O-CB 3.32Å; I11-I15 WeakPolarHBondContact O-CB 3.37Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 3.03Å |
| 12 | F | 43.4 | Very low | 39.1 | Very low | 122 Ų | 122 | 111.4 Ų | 111.4 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.1 | -40 | 177.1 | -142.3 | -91.3 | 0 | 0 | 0 | 111.5 | W8 I15 V16 | W8-F12 HydrophobicContact CE3-CD2 4.31Å; W8-F12 HydrophobicContact CZ3-CD2 4.26Å; W8-F12 VanDerWaalsContact O-CB 3.26Å; W8-F12 WeakPolarHBondContact O-CB 3.16Å; W8-F12 PolarHBondContact O-N 3.02Å; F12-I15 PolarHBondContact O-N 3.43Å; F12-V16 HydrophobicContact CD1-CG2 3.94Å; F12-V16 HydrophobicContact CE1-CG2 4.16Å; F12-V16 VanDerWaalsContact O-CB 3.29Å; F12-V16 WeakPolarHBondContact O-CB 3.39Å; F12-V16 WeakPolarHBondContact O-CG2 3.36Å; F12-V16 PolarHBondContact O-N 3.38Å |
| 13 | F | 40.5 | Very low | 38.4 | Very low | 154 Ų | 154 | 108.8 Ų | 108.8 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.8 | -38 | 173.3 | -140.7 | -91.9 | 0 | 0 | 0 | 111.3 | R9 V17 | R9-F13 VanDerWaalsContact O-CB 3.26Å; R9-F13 WeakPolarHBondContact O-CB 3.32Å; R9-F13 PolarHBondContact O-N 3.44Å; F13-V17 HydrophobicContact CD1-CG2 3.93Å; F13-V17 HydrophobicContact CE1-CG2 4.17Å; F13-V17 VanDerWaalsContact O-CB 3.24Å; F13-V17 WeakPolarHBondContact O-CB 3.37Å; F13-V17 WeakPolarHBondContact O-CG2 3.32Å; F13-V17 PolarHBondContact O-N 2.84Å |
| 14 | A | 39.9 | Very low | 38.5 | Very low | 45 Ų | 45 | 112.4 Ų | 112.4 | 37% | 0.372 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K10 I11 V17 I18 | K10-A14 WeakPolarHBondContact O-CB 3.21Å; K10-A14 PolarHBondContact O-N 2.94Å; I11-A14 PolarHBondContact O-N 3.3Å; A14-V17 PolarHBondContact O-N 2.84Å; A14-I18 HydrophobicContact CB-CD1 4.41Å; A14-I18 WeakPolarHBondContact O-CA 3.43Å; A14-I18 WeakPolarHBondContact O-CB 3.46Å; A14-I18 VanDerWaalsContact O-CD1 3.25Å; A14-I18 WeakPolarHBondContact O-CD1 3.21Å; A14-I18 WeakPolarHBondContact O-CG1 3.04Å; A14-I18 PolarHBondContact O-N 2.76Å |
| 15 | I | 40.8 | Very low | 38.7 | Very low | 98 Ų | 98 | 110.6 Ų | 110.6 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 177.2 | -70.4 | 168.7 | 0 | 0 | 0 | 110.9 | I11 F12 I18 S19 | I11-I15 HydrophobicContact CG2-CD1 3.57Å; I11-I15 HydrophobicContact CG2-CG1 4.25Å; I11-I15 VanDerWaalsContact O-CB 3.32Å; I11-I15 WeakPolarHBondContact O-CB 3.37Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 3.03Å; F12-I15 PolarHBondContact O-N 3.43Å; I15-I18 PolarHBondContact O-N 3.17Å; I15-S19 VanDerWaalsContact O-CB 3.26Å; I15-S19 WeakPolarHBondContact O-CB 3.04Å; I15-S19 PolarHBondContact O-N 3.4Å; I15-S19 PolarHBondContact O-OG 2.85Å; I15-S19 VanDerWaalsContact O-OG 3.04Å |
| 16 | V | 39.6 | Very low | 39.1 | Very low | 69 Ų | 69 | 110.7 Ų | 110.7 | 42% | 0.418 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.5 | -44.1 | 175.3 | 171 | 0 | 0 | 0 | 0 | 110.8 | F12 I18 S19 D20 | F12-V16 HydrophobicContact CD1-CG2 3.94Å; F12-V16 HydrophobicContact CE1-CG2 4.16Å; F12-V16 VanDerWaalsContact O-CB 3.29Å; F12-V16 WeakPolarHBondContact O-CB 3.39Å; F12-V16 WeakPolarHBondContact O-CG2 3.36Å; F12-V16 PolarHBondContact O-N 3.38Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.03Å; V16-S19 VanDerWaalsContact CA-OG 3.32Å; V16-S19 WeakPolarHBondContact CA-OG 3.27Å; V16-S19 PolarHBondContact O-N 3.36Å; V16-S19 PolarHBondContact O-OG 3.46Å; V16-D20 VanDerWaalsContact O-CB 3.25Å; V16-D20 WeakPolarHBondContact O-CB 3.41Å; V16-D20 PolarHBondContact O-N 3.21Å |
| 17 | V | 38.9 | Very low | 39.7 | Very low | 66 Ų | 66 | 105.4 Ų | 105.4 | 40% | 0.4 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.1 | -31.5 | 174.9 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | F13 A14 K21 | F13-V17 HydrophobicContact CD1-CG2 3.93Å; F13-V17 HydrophobicContact CE1-CG2 4.17Å; F13-V17 VanDerWaalsContact O-CB 3.24Å; F13-V17 WeakPolarHBondContact O-CB 3.37Å; F13-V17 WeakPolarHBondContact O-CG2 3.32Å; F13-V17 PolarHBondContact O-N 2.84Å; A14-V17 PolarHBondContact O-N 2.84Å; V17-K21 VanDerWaalsContact O-CB 3.32Å; V17-K21 WeakPolarHBondContact O-CB 3.37Å; V17-K21 VanDerWaalsContact O-CG 3.31Å; V17-K21 WeakPolarHBondContact O-CG 3.37Å; V17-K21 PolarHBondContact O-N 3.46Å |
| 18 | I | 34.8 | Very low | 40.7 | Very low | 93 Ų | 93 | 101.9 Ų | 101.9 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.9 | -38.2 | 173.8 | -70.4 | 163.6 | 0 | 0 | 0 | 110 | A14 I15 V16 K21 I22 | A14-I18 HydrophobicContact CB-CD1 4.41Å; A14-I18 WeakPolarHBondContact O-CA 3.43Å; A14-I18 WeakPolarHBondContact O-CB 3.46Å; A14-I18 VanDerWaalsContact O-CD1 3.25Å; A14-I18 WeakPolarHBondContact O-CD1 3.21Å; A14-I18 WeakPolarHBondContact O-CG1 3.04Å; A14-I18 PolarHBondContact O-N 2.76Å; I15-I18 PolarHBondContact O-N 3.17Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.03Å; I18-K21 CarbonylContact O-C 3.54Å; I18-K21 PolarHBondContact O-N 3.46Å; I18-I22 HydrophobicContact CG2-CD1 3.38Å; I18-I22 HydrophobicContact CG2-CG1 4.15Å; I18-I22 VanDerWaalsContact O-CB 3.25Å; I18-I22 WeakPolarHBondContact O-CB 3.34Å; I18-I22 WeakPolarHBondContact O-CD1 3.35Å; I18-I22 WeakPolarHBondContact O-CG1 3.37Å; I18-I22 PolarHBondContact O-N 3.04Å |
| 19 | S | 31 | Very low | 42.5 | Very low | 65 Ų | 65 | 94.4 Ų | 94.4 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.8 | -32.4 | 175.6 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | I15 V16 K21 I22 S23 | I15-S19 VanDerWaalsContact O-CB 3.26Å; I15-S19 WeakPolarHBondContact O-CB 3.04Å; I15-S19 PolarHBondContact O-N 3.4Å; I15-S19 PolarHBondContact O-OG 2.85Å; I15-S19 VanDerWaalsContact O-OG 3.04Å; V16-S19 VanDerWaalsContact CA-OG 3.32Å; V16-S19 WeakPolarHBondContact CA-OG 3.27Å; V16-S19 PolarHBondContact O-N 3.36Å; V16-S19 PolarHBondContact O-OG 3.46Å; S19-K21 VanDerWaalsContact C-N 3.3Å; S19-I22 PolarHBondContact O-N 3.22Å; S19-S23 PolarHBondContact O-N 3.41Å |
| 20 | D | 28.5 | Very low | 44.9 | Very low | 122 Ų | 122 | 85 Ų | 85 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -76.2 | -20.4 | 173.9 | -142.9 | 28.1 | 0 | 0 | 0 | 111.7 | V16 S23 | V16-D20 VanDerWaalsContact O-CB 3.25Å; V16-D20 WeakPolarHBondContact O-CB 3.41Å; V16-D20 PolarHBondContact O-N 3.21Å; D20-S23 PolarHBondContact O-OG 2.73Å |
| 21 | K | 29.8 | Very low | 47 | Very low | 162 Ų | 162 | 78.2 Ų | 78.2 | 70% | 0.704 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -90.2 | -17.1 | 167.8 | -76.5 | -165.7 | 175.9 | -163.7 | 0 | 114.5 | V17 I18 S19 | V17-K21 VanDerWaalsContact O-CB 3.32Å; V17-K21 WeakPolarHBondContact O-CB 3.37Å; V17-K21 VanDerWaalsContact O-CG 3.31Å; V17-K21 WeakPolarHBondContact O-CG 3.37Å; V17-K21 PolarHBondContact O-N 3.46Å; I18-K21 CarbonylContact O-C 3.54Å; I18-K21 PolarHBondContact O-N 3.46Å; S19-K21 VanDerWaalsContact C-N 3.3Å |
| 22 | I | 31.2 | Very low | 48.8 | Very low | 105 Ų | 105 | 75.1 Ų | 75.1 | 54% | 0.538 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -86.8 | -8.2 | 178.3 | -75.2 | 170 | 0 | 0 | 0 | 112.1 | I18 S19 Q24 | I18-I22 HydrophobicContact CG2-CD1 3.38Å; I18-I22 HydrophobicContact CG2-CG1 4.15Å; I18-I22 VanDerWaalsContact O-CB 3.25Å; I18-I22 WeakPolarHBondContact O-CB 3.34Å; I18-I22 WeakPolarHBondContact O-CD1 3.35Å; I18-I22 WeakPolarHBondContact O-CG1 3.37Å; I18-I22 PolarHBondContact O-N 3.04Å; S19-I22 PolarHBondContact O-N 3.22Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 2.81Å |
| 23 | S | 32.3 | Very low | 50.7 | Low | 76 Ų | 76 | 72.1 Ų | 72.1 | 53% | 0.531 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 7.3 | 177.1 | 57.4 | 0 | 0 | 0 | 0 | 115.5 | S19 D20 | S19-S23 PolarHBondContact O-N 3.41Å; D20-S23 PolarHBondContact O-OG 2.73Å |
| 24 | Q | 38.9 | Very low | 52.8 | Low | 127 Ų | 127 | 67.9 Ų | 67.9 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 20.5 | 176.8 | -68.1 | -173 | -18.1 | 0 | 0 | 114.3 | I22 Q26 | I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 2.81Å; Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 2.68Å |
| 25 | L | 37.9 | Very low | 55.3 | Low | 115 Ų | 115 | 67 Ų | 67 | 60% | 0.602 | 38% | 0.383 | S | S | * | . | trans | -89 | 14.3 | 179.4 | -97.4 | 151.7 | 0 | 0 | 0 | 114.3 | ||||
| 26 | Q | 45.1 | Very low | 57.8 | Low | 123 Ų | 123 | 63.1 Ų | 63.1 | 58% | 0.575 | 36% | 0.363 | S | S | * | . | trans | -99.3 | 120.2 | -175.1 | -66.6 | -169.9 | -20.1 | 0 | 0 | 111.1 | Q24 F28 | Q24-Q26 VanDerWaalsContact C-N 3.32Å; Q24-Q26 PolarHBondContact O-N 2.68Å; Q26-F28 PolarHBondContact O-N 3.28Å | ||
| 27 | S | 52.6 | Low | 60.5 | Low | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | trans | -63.6 | 117.8 | 159.3 | 39.9 | 0 | 0 | 0 | 0 | 108.4 | V30 Q597 R643 | S27-V30 VanDerWaalsContact CB-O 3.24Å; S27-V30 WeakPolarHBondContact CB-O 3.44Å; S27-Q597 VanDerWaalsContact CA-CD 3.45Å; S27-R643 VanDerWaalsContact C-NH2 3.32Å; S27-R643 PolarHBondContact O-NH2 3.47Å; S27-R643 PolarHBondContact OG-NH2 2.73Å | ||
| 28 | F | 71.4 | Confident | 63.3 | Low | 10 Ų | 10 | 58.1 Ų | 58.1 | 4% | 0.044 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -89 | -79.6 | 172.9 | 91.6 | -75.9 | 0 | 0 | 0 | 108.8 | Q26 N585 S596 Q597 R643 V771 | Q26-F28 PolarHBondContact O-N 3.28Å; F28-N585 WeakPolarHBondContact CZ-OD1 3.36Å; F28-S596 WeakPolarHBondContact CD1-O 3.17Å; F28-S596 WeakPolarHBondContact CE1-OG 3.45Å; F28-Q597 HydrophobicContact CD1-CB 3.84Å; F28-Q597 HydrophobicContact CD1-CG 4.37Å; F28-Q597 HydrophobicContact CE1-CB 3.97Å; F28-R643 PolarHBondContact O-NH2 2.88Å; F28-V771 WeakPolarHBondContact O-CB 3.41Å; F28-V771 VanDerWaalsContact O-CG1 3.24Å; F28-V771 WeakPolarHBondContact O-CG1 3.16Å; F28-V771 WeakPolarHBondContact O-CG2 3.32Å |
| 29 | N | 82.1 | Confident | 66.1 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -83.2 | -38.6 | -176.3 | -87.6 | 17.7 | 0 | 0 | 0 | 115.5 | G31 L559 D560 S642 R643 V645 | N29-G31 PolarHBondContact O-N 3.21Å; N29-L559 HydrophobicContact CB-CD1 4.45Å; N29-L559 HydrophobicContact CB-CD2 3.82Å; N29-L559 HydrophobicContact CB-CG 3.78Å; N29-L559 PolarHBondContact ND2-O 2.87Å; N29-D560 WeakPolarHBondContact ND2-CA 3.39Å; N29-D560 WeakPolarHBondContact ND2-CB 3.47Å; N29-D560 PolarHBondContact ND2-N 2.63Å; N29-S642 CarbonylContact O-C 3.56Å; N29-R643 WeakPolarHBondContact O-CB 3.09Å; N29-R643 PolarHBondContact O-N 3.31Å; N29-V645 WeakPolarHBondContact OD1-CG2 3.34Å |
| 30 | V | 89.9 | Confident | 69.1 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.6 | -174.9 | 177.6 | 0 | 0 | 0 | 0 | 110 | S27 L559 I583 Q597 I599 I629 L640 | S27-V30 VanDerWaalsContact CB-O 3.24Å; S27-V30 WeakPolarHBondContact CB-O 3.44Å; V30-L559 HydrophobicContact CG2-CD1 3.91Å; V30-L559 HydrophobicContact CG2-CD2 3.89Å; V30-L559 HydrophobicContact CG2-CG 4.46Å; V30-I583 HydrophobicContact CB-CD1 3.84Å; V30-I583 HydrophobicContact CG2-CD1 3.38Å; V30-Q597 PolarHBondContact O-NE2 3.31Å; V30-I599 HydrophobicContact CB-CD1 3.88Å; V30-I599 HydrophobicContact CG1-CD1 3.7Å; V30-I629 HydrophobicContact CG2-CD1 3.67Å; V30-I629 HydrophobicContact CG2-CG1 4.3Å; V30-L640 HydrophobicContact CG1-CB 3.66Å; V30-L640 HydrophobicContact CG1-CD1 3.9Å; V30-L640 HydrophobicContact CG1-CG 4.35Å |
| 31 | G | 87.3 | Confident | 72.3 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N29 W641 | N29-G31 PolarHBondContact O-N 3.21Å; G31-W641 WeakPolarHBondContact CA-O 3.11Å; G31-W641 PolarHBondContact N-O 3.18Å |
| 32 | T | 88.3 | Confident | 75.4 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -22.6 | 171 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | I599 K603 L604 D767 | T32-I599 HydrophobicContact CG2-CG2 3.74Å; T32-K603 HydrophobicContact CG2-CD 4.17Å; T32-K603 VanDerWaalsContact OG1-CE 3.24Å; T32-K603 WeakPolarHBondContact OG1-CE 3.44Å; T32-K603 PolarHBondContact OG1-NZ 2.91Å; T32-L604 HydrophobicContact CG2-CD2 3.9Å; T32-D767 PolarHBondContact OG1-OD1 2.94Å |
| 33 | A | 83.7 | Confident | 78.4 | Confident | 59 Ų | 59 | 47 Ų | 47 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 137.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A35 D767 | A33-A35 VanDerWaalsContact C-N 3.28Å; A33-A35 PolarHBondContact O-N 3.47Å; A33-D767 HydrophobicContact CB-CB 4.08Å |
| 34 | G | 85.1 | Confident | 81.4 | Confident | 66 Ų | 66 | 44.6 Ų | 44.6 | 68% | 0.68 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 78.4 | 6.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K36 W641 | G34-K36 PolarHBondContact O-N 3.25Å; G34-W641 VanDerWaalsContact O-CD1 3.28Å; G34-W641 PolarHBondContact O-NE1 3.21Å |
| 35 | A | 91.6 | Very high | 84.2 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 132.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A33 L604 V638 Q639 L640 | A33-A35 VanDerWaalsContact C-N 3.28Å; A33-A35 PolarHBondContact O-N 3.47Å; A35-L604 HydrophobicContact CB-CD2 4.02Å; A35-V638 HydrophobicContact CB-CG1 4.29Å; A35-Q639 CarbonylContact C-O 3.54Å; A35-Q639 WeakPolarHBondContact CA-O 3.15Å; A35-L640 HydrophobicContact CB-CD2 3.72Å |
| 36 | K | 94.8 | Very high | 87 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.8 | 178.9 | -164.6 | 175 | -177.1 | -179.1 | 0 | 109.1 | G34 F38 P79 V80 G82 S84 N85 V638 Q639 | G34-K36 PolarHBondContact O-N 3.25Å; K36-F38 HydrophobicContact CB-CE2 4.37Å; K36-F38 HydrophobicContact CD-CE1 4.19Å; K36-F38 HydrophobicContact CD-CE2 3.95Å; K36-F38 HydrophobicContact CD-CZ 3.48Å; K36-F38 VanDerWaalsContact CD-CZ 3.48Å; K36-F38 VanDerWaalsContact CE-CZ 3.46Å; K36-F38 HydrophobicContact CG-CE1 4.49Å; K36-F38 HydrophobicContact CG-CE2 3.95Å; K36-F38 HydrophobicContact CG-CZ 3.88Å; K36-P79 PolarHBondContact NZ-O 3.41Å; K36-V80 PolarHBondContact NZ-O 2.92Å; K36-G82 PolarHBondContact NZ-O 2.79Å; K36-S84 WeakPolarHBondContact CE-O 3.36Å; K36-S84 PolarHBondContact NZ-O 3.35Å; K36-S84 VanDerWaalsContact NZ-O 3.12Å; K36-N85 WeakPolarHBondContact CE-OD1 3.31Å; K36-N85 VanDerWaalsContact CG-OD1 3.32Å; K36-N85 WeakPolarHBondContact CG-OD1 3.37Å; K36-V638 CarbonylContact O-C 3.01Å; K36-V638 WeakPolarHBondContact O-CA 3.32Å; K36-Q639 HydrophobicContact CB-CB 4.14Å; K36-Q639 PolarHBondContact N-O 2.81Å; K36-Q639 PolarHBondContact O-N 2.77Å |
| 37 | I | 95.6 | Very high | 89.5 | Confident | 29 Ų | 29 | 28.6 Ų | 28.6 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.2 | -179.2 | -54.1 | 178.3 | 0 | 0 | 0 | 108.8 | L39 N85 N605 V638 | I37-L39 HydrophobicContact CG2-CD2 4.08Å; I37-N85 PolarHBondContact O-ND2 2.97Å; I37-N605 HydrophobicContact CD1-CB 3.68Å; I37-V638 HydrophobicContact CG1-CG1 4.25Å; I37-V638 HydrophobicContact CG1-CG2 4.2Å; I37-V638 HydrophobicContact CG2-CG2 4.37Å |
| 38 | F | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 131.4 | 172.6 | -60.3 | -86 | 0 | 0 | 0 | 109.5 | K36 L61 C78 P79 N85 C87 S636 V637 Q639 | K36-F38 HydrophobicContact CB-CE2 4.37Å; K36-F38 HydrophobicContact CD-CE1 4.19Å; K36-F38 HydrophobicContact CD-CE2 3.95Å; K36-F38 HydrophobicContact CD-CZ 3.48Å; K36-F38 VanDerWaalsContact CD-CZ 3.48Å; K36-F38 VanDerWaalsContact CE-CZ 3.46Å; K36-F38 HydrophobicContact CG-CE1 4.49Å; K36-F38 HydrophobicContact CG-CE2 3.95Å; K36-F38 HydrophobicContact CG-CZ 3.88Å; F38-L61 HydrophobicContact CD2-CD1 4.16Å; F38-L61 HydrophobicContact CE2-CD1 3.88Å; F38-C78 HydrophobicContact CD1-CB 3.73Å; F38-C78 HydrophobicContact CD2-CB 4.26Å; F38-C78 HydrophobicContact CE1-CB 3.79Å; F38-C78 HydrophobicContact CE2-CB 4.31Å; F38-C78 HydrophobicContact CG-CB 3.97Å; F38-C78 HydrophobicContact CZ-CB 4.07Å; F38-P79 WeakPolarHBondContact CE1-O 3.46Å; F38-P79 WeakPolarHBondContact CZ-O 3.06Å; F38-N85 HydrophobicContact CD1-CB 4.47Å; F38-C87 VanDerWaalsContact CB-SG 3.55Å; F38-S636 CarbonylContact O-C 3.54Å; F38-S636 WeakPolarHBondContact O-CA 3.3Å; F38-S636 VanDerWaalsContact O-CB 3.24Å; F38-S636 WeakPolarHBondContact O-CB 3.48Å; F38-V637 PolarHBondContact N-O 2.92Å; F38-V637 PolarHBondContact O-N 3.06Å; F38-Q639 HydrophobicContact CE2-CB 4.5Å |
| 39 | L | 94.9 | Very high | 92.9 | Very high | 121 Ų | 121 | 32.8 Ų | 32.8 | 63% | 0.634 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.7 | 179 | -60 | 177.2 | 0 | 0 | 0 | 109.9 | I37 | I37-L39 HydrophobicContact CG2-CD2 4.08Å |
| 40 | G | 94 | Very high | 93.7 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 25% | 0.247 | 22% | 0.217 | C | C | . | . | trans | -140.3 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A42 G635 | G40-A42 PolarHBondContact O-N 3.03Å; G40-G635 PolarHBondContact N-O 2.85Å; G40-G635 VanDerWaalsContact O-O 3.08Å | ||
| 41 | P | 95.1 | Very high | 93.9 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 34% | 0.338 | 22% | 0.223 | S | C | . | . | trans | -66.6 | 117.4 | -179.6 | -18.6 | 31.9 | 0 | 0 | 0 | 111.4 | S43 D44 F46 | P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 3.29Å; P41-D44 HydrophobicContact CB-CB 4.06Å; P41-D44 PolarHBondContact O-N 3.05Å; P41-F46 WeakPolarHBondContact O-CB 3.45Å; P41-F46 PolarHBondContact O-N 3.26Å | ||
| 42 | A | 94.2 | Very high | 94.3 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -67 | -31.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G40 D44 E45 Y634 | G40-A42 PolarHBondContact O-N 3.03Å; A42-D44 PolarHBondContact O-N 3.15Å; A42-E45 PolarHBondContact O-N 3.45Å; A42-E45 VanDerWaalsContact O-N 3.09Å; A42-Y634 HydrophobicContact CB-CD1 4.26Å; A42-Y634 HydrophobicContact CB-CE1 3.75Å; A42-Y634 HydrophobicContact CB-CE2 4.34Å; A42-Y634 VanDerWaalsContact O-CE2 3.23Å; A42-Y634 WeakPolarHBondContact O-CE2 3.38Å; A42-Y634 PolarHBondContact O-OH 3.23Å |
| 43 | S | 95.1 | Very high | 94.4 | Very high | 81 Ų | 81 | 33.6 Ų | 33.6 | 57% | 0.566 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -58 | -27.6 | 172.9 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | P41 E45 | P41-S43 VanDerWaalsContact C-N 3.31Å; P41-S43 PolarHBondContact O-N 3.29Å; S43-E45 VanDerWaalsContact C-N 3.28Å |
| 44 | D | 95.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -90.2 | 2.4 | -176.3 | -64.2 | 19.9 | 0 | 0 | 0 | 111.6 | P41 A42 F46 A65 W67 S68 | P41-D44 HydrophobicContact CB-CB 4.06Å; P41-D44 PolarHBondContact O-N 3.05Å; A42-D44 PolarHBondContact O-N 3.15Å; D44-F46 PolarHBondContact O-N 3.11Å; D44-A65 HydrophobicContact CB-CB 4.19Å; D44-A65 CarbonylContact O-C 3.6Å; D44-A65 WeakPolarHBondContact O-CA 3.25Å; D44-W67 PolarHBondContact O-N 2.86Å; D44-S68 WeakPolarHBondContact OD2-CA 3.42Å; D44-S68 VanDerWaalsContact OD2-CB 3.26Å; D44-S68 WeakPolarHBondContact OD2-CB 3.27Å; D44-S68 PolarHBondContact OD2-OG 3.47Å |
| 45 | E | 96.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 13% | 0.131 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 34.1 | -171.4 | -69.1 | -71.1 | 159.5 | 0 | 0 | 112.2 | A42 S43 G47 Y48 P66 W67 R613 Y634 | A42-E45 PolarHBondContact O-N 3.45Å; A42-E45 VanDerWaalsContact O-N 3.09Å; S43-E45 VanDerWaalsContact C-N 3.28Å; E45-G47 PolarHBondContact O-N 2.97Å; E45-Y48 HydrophobicContact CB-CD2 4.39Å; E45-Y48 WeakPolarHBondContact O-CB 3.37Å; E45-Y48 PolarHBondContact O-N 3.37Å; E45-P66 HydrophobicContact CB-CG 4.07Å; E45-W67 HydrophobicContact CB-CB 4.44Å; E45-W67 HydrophobicContact CB-CG 4.39Å; E45-W67 HydrophobicContact CG-CB 4.27Å; E45-W67 HydrophobicContact CG-CD2 3.54Å; E45-W67 HydrophobicContact CG-CE3 3.53Å; E45-W67 HydrophobicContact CG-CG 3.89Å; E45-W67 HydrophobicContact CG-CH2 4.49Å; E45-W67 HydrophobicContact CG-CZ3 4.03Å; E45-R613 IonicContact OE2-CZ 3.25Å; E45-R613 IonicContact OE2-NH1 2.73Å; E45-R613 PolarHBondContact OE2-NH1 3.3Å; E45-R613 IonicContact OE2-NH2 3.22Å; E45-R613 PolarHBondContact OE2-NH2 3.37Å; E45-Y634 WeakPolarHBondContact OE1-CE2 3.39Å |
| 46 | F | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 130.8 | 175.1 | 179.6 | -85.8 | 0 | 0 | 0 | 110.6 | P41 D44 V63 A65 Y76 C87 G635 V637 | P41-F46 WeakPolarHBondContact O-CB 3.45Å; P41-F46 PolarHBondContact O-N 3.26Å; D44-F46 PolarHBondContact O-N 3.11Å; F46-V63 HydrophobicContact CD1-CG1 4.17Å; F46-V63 HydrophobicContact CD2-CG1 3.93Å; F46-V63 HydrophobicContact CE1-CG1 3.93Å; F46-V63 HydrophobicContact CE2-CB 3.91Å; F46-V63 HydrophobicContact CE2-CG1 3.67Å; F46-V63 HydrophobicContact CE2-CG2 4.49Å; F46-V63 HydrophobicContact CG-CG1 4.18Å; F46-V63 HydrophobicContact CZ-CB 3.97Å; F46-V63 HydrophobicContact CZ-CG1 3.66Å; F46-V63 HydrophobicContact CZ-CG2 4.11Å; F46-A65 HydrophobicContact CB-CB 4.35Å; F46-A65 HydrophobicContact CD2-CB 4.46Å; F46-Y76 HydrophobicContact CD2-CD1 4.41Å; F46-Y76 AromaticContact CD2-CD2 3.85Å; F46-Y76 HydrophobicContact CD2-CD2 3.85Å; F46-Y76 HydrophobicContact CD2-CE2 4.17Å; F46-Y76 AromaticContact CD2-CG 4Å; F46-Y76 HydrophobicContact CD2-CG 4Å; F46-Y76 HydrophobicContact CE2-CD1 4.06Å; F46-Y76 AromaticContact CE2-CD2 3.99Å; F46-Y76 HydrophobicContact CE2-CD2 3.99Å; F46-Y76 AromaticContact CE2-CG 3.67Å; F46-Y76 HydrophobicContact CE2-CG 3.67Å; F46-C87 HydrophobicContact CE2-CB 4.4Å; F46-C87 HydrophobicContact CZ-CB 4.35Å; F46-G635 WeakPolarHBondContact O-CA 3.38Å; F46-G635 PolarHBondContact O-N 3.32Å; F46-V637 HydrophobicContact CE1-CB 4.37Å; F46-V637 HydrophobicContact CE1-CG2 3.93Å; F46-V637 HydrophobicContact CZ-CG2 4.45Å |
| 47 | G | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 9.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E45 G64 R613 S614 | E45-G47 PolarHBondContact O-N 2.97Å; G47-G64 PolarHBondContact N-O 3.2Å; G47-R613 WeakPolarHBondContact O-CD 3.22Å; G47-S614 PolarHBondContact O-OG 3.46Å; G47-S614 VanDerWaalsContact O-OG 3.13Å |
| 48 | Y | 97.8 | Very high | 93.5 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 34% | 0.337 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -59.5 | -50.5 | 176.1 | -166.5 | -75.3 | 0 | 0 | 0 | 111.6 | E45 G64 P66 L112 S614 | E45-Y48 HydrophobicContact CB-CD2 4.39Å; E45-Y48 WeakPolarHBondContact O-CB 3.37Å; E45-Y48 PolarHBondContact O-N 3.37Å; Y48-G64 PolarHBondContact N-O 3.49Å; Y48-P66 HydrophobicContact CD1-CG 4.42Å; Y48-P66 HydrophobicContact CD2-CG 3.77Å; Y48-P66 HydrophobicContact CG-CG 3.76Å; Y48-L112 HydrophobicContact CD1-CD1 3.9Å; Y48-L112 HydrophobicContact CD2-CD1 4.31Å; Y48-L112 HydrophobicContact CE1-CD1 3.36Å; Y48-L112 HydrophobicContact CE1-CG 4.03Å; Y48-L112 HydrophobicContact CE2-CD1 3.89Å; Y48-L112 HydrophobicContact CG-CD1 4.4Å; Y48-S614 WeakPolarHBondContact O-CB 3.43Å; Y48-S614 PolarHBondContact O-OG 2.6Å; Y48-S614 VanDerWaalsContact O-OG 3.13Å |
| 49 | T | 97.6 | Very high | 93.3 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.2 | 170.2 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | V63 G64 G111 L112 L114 | T49-V63 WeakPolarHBondContact O-CA 3.45Å; T49-G64 PolarHBondContact O-N 3.18Å; T49-G64 WeakPolarHBondContact OG1-CA 3.49Å; T49-G64 PolarHBondContact OG1-N 2.83Å; T49-G111 PolarHBondContact OG1-O 2.94Å; T49-L112 WeakPolarHBondContact CG2-O 3.45Å; T49-L114 VanDerWaalsContact OG1-CD1 3.31Å; T49-L114 WeakPolarHBondContact OG1-CD1 3.37Å |
| 50 | V | 97.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.6 | 172.4 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | L62 V637 | V50-L62 CarbonylContact C-O 3.47Å; V50-L62 WeakPolarHBondContact CA-O 3.37Å; V50-V637 HydrophobicContact CB-CG1 4.46Å; V50-V637 HydrophobicContact CG2-CG1 3.7Å |
| 51 | Q | 95.6 | Very high | 93.3 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.1 | 174.5 | -67 | -67.1 | -64.4 | 0 | 0 | 110.3 | L61 L62 L114 F123 D616 | Q51-L61 WeakPolarHBondContact O-CA 3.11Å; Q51-L62 HydrophobicContact CB-CB 4.41Å; Q51-L62 PolarHBondContact N-O 3.3Å; Q51-L62 PolarHBondContact O-N 2.94Å; Q51-L114 HydrophobicContact CG-CB 3.89Å; Q51-F123 HydrophobicContact CB-CD1 4.18Å; Q51-F123 HydrophobicContact CB-CE1 3.82Å; Q51-F123 HydrophobicContact CG-CD1 4.39Å; Q51-F123 HydrophobicContact CG-CE1 4.4Å; Q51-D616 WeakPolarHBondContact CA-OD2 3.29Å |
| 52 | Q | 94.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.023 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 119 | 173.6 | -63 | -177.3 | -25.1 | 0 | 0 | 109.1 | P54 L61 D616 K619 L621 D628 S630 | Q52-P54 VanDerWaalsContact C-CD 3.48Å; Q52-P54 WeakPolarHBondContact O-CD 3.28Å; Q52-L61 HydrophobicContact CG-CD2 4.19Å; Q52-D616 WeakPolarHBondContact CB-OD2 3.48Å; Q52-D616 HydrophobicContact CG-CB 4.14Å; Q52-D616 PolarHBondContact N-OD2 2.64Å; Q52-D616 PolarHBondContact NE2-O 3.46Å; Q52-K619 HydrophobicContact CB-CB 4.19Å; Q52-K619 HydrophobicContact CB-CG 4.09Å; Q52-K619 PolarHBondContact OE1-O 3.2Å; Q52-L621 HydrophobicContact CB-CD1 4.34Å; Q52-L621 HydrophobicContact CB-CD2 4.41Å; Q52-L621 HydrophobicContact CG-CD1 3.86Å; Q52-D628 PolarHBondContact NE2-O 2.77Å; Q52-S630 WeakPolarHBondContact CG-OG 3Å; Q52-S630 PolarHBondContact NE2-OG 2.93Å |
| 53 | A | 92 | Very high | 93.5 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 64.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N55 W60 L62 F123 F151 | A53-N55 PolarHBondContact O-N 3.47Å; A53-W60 WeakPolarHBondContact CA-O 3.5Å; A53-W60 HydrophobicContact CB-CB 4.43Å; A53-W60 PolarHBondContact N-O 2.8Å; A53-W60 PolarHBondContact O-N 3.29Å; A53-L62 HydrophobicContact CB-CD1 4.02Å; A53-L62 HydrophobicContact CB-CG 3.77Å; A53-F123 HydrophobicContact CB-CD2 4.44Å; A53-F123 HydrophobicContact CB-CE1 4.36Å; A53-F123 HydrophobicContact CB-CE2 3.4Å; A53-F123 HydrophobicContact CB-CZ 3.36Å; A53-F151 HydrophobicContact CB-CE1 3.84Å; A53-F151 HydrophobicContact CB-CZ 3.91Å |
| 54 | P | 89.2 | Confident | 93.6 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 20% | 0.201 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.4 | 171.5 | 30.1 | -33.7 | 0 | 0 | 0 | 110.5 | Q52 K59 K619 | Q52-P54 VanDerWaalsContact C-CD 3.48Å; Q52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-K59 HydrophobicContact CB-CG 4.23Å; P54-K619 HydrophobicContact CG-CB 4.42Å; P54-K619 HydrophobicContact CG-CD 4.14Å; P54-K619 HydrophobicContact CG-CG 4.05Å |
| 55 | N | 87.1 | Confident | 93.7 | Very high | 23 Ų | 23 | 29 Ų | 29 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | trans | -129.6 | -176.5 | 171.7 | 68.2 | 23.4 | 0 | 0 | 0 | 110.1 | A53 Q57 D58 W60 P149 | A53-N55 PolarHBondContact O-N 3.47Å; N55-Q57 PolarHBondContact O-N 2.98Å; N55-Q57 WeakPolarHBondContact OD1-CA 3.24Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.5Å; N55-Q57 PolarHBondContact OD1-N 3.27Å; N55-D58 PolarHBondContact N-O 2.83Å; N55-D58 PolarHBondContact OD1-N 2.85Å; N55-D58 PolarHBondContact OD1-O 3.47Å; N55-W60 PolarHBondContact OD1-NE1 2.94Å; N55-P149 WeakPolarHBondContact CB-O 3.15Å; N55-P149 PolarHBondContact ND2-O 3.35Å | ||
| 56 | Y | 84.1 | Confident | 93.8 | Very high | 169 Ų | 169 | 27.6 Ų | 27.6 | 66% | 0.663 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -71 | -11.4 | -178.3 | 64.5 | -92.9 | 0 | 0 | 0 | 113.9 | L150 | Y56-L150 HydrophobicContact CE1-CD2 3.94Å; Y56-L150 HydrophobicContact CE1-CG 4.21Å; Y56-L150 HydrophobicContact CE2-CD2 4.48Å; Y56-L150 VanDerWaalsContact OH-CD1 3.31Å; Y56-L150 WeakPolarHBondContact OH-CD1 3.41Å; Y56-L150 WeakPolarHBondContact OH-CD2 3.48Å; Y56-L150 WeakPolarHBondContact OH-CG 3.46Å |
| 57 | Q | 84.1 | Confident | 93.7 | Very high | 124 Ų | 124 | 32.5 Ų | 32.5 | 58% | 0.579 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -91.5 | -48 | 178.4 | -61.4 | -174.4 | -38.8 | 0 | 0 | 111.3 | N55 L150 | N55-Q57 PolarHBondContact O-N 2.98Å; N55-Q57 WeakPolarHBondContact OD1-CA 3.24Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.5Å; N55-Q57 PolarHBondContact OD1-N 3.27Å; Q57-L150 VanDerWaalsContact CD-CD2 3.46Å; Q57-L150 HydrophobicContact CG-CD2 4.18Å |
| 58 | D | 87.3 | Confident | 93.5 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 23% | 0.225 | 14% | 0.143 | C | C | . | . | trans | -166.2 | -179.5 | -175.5 | -153.8 | -22.9 | 0 | 0 | 0 | 110.1 | N55 W60 Q81 | N55-D58 PolarHBondContact N-O 2.83Å; N55-D58 PolarHBondContact OD1-N 2.85Å; N55-D58 PolarHBondContact OD1-O 3.47Å; D58-W60 HydrophobicContact CB-CZ2 3.74Å; D58-W60 VanDerWaalsContact O-CD1 3.28Å; D58-W60 PolarHBondContact O-NE1 3.23Å; D58-Q81 WeakPolarHBondContact OD1-CB 3.34Å; D58-Q81 WeakPolarHBondContact OD1-CG 3.45Å; D58-Q81 PolarHBondContact OD1-OE1 2.78Å | ||
| 59 | K | 91.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.3 | 174.6 | -58.9 | -175.7 | 173.8 | -165.4 | 0 | 110 | P54 V80 Q81 D620 L621 D623 | P54-K59 HydrophobicContact CB-CG 4.23Å; K59-V80 HydrophobicContact CB-CB 4.18Å; K59-V80 VanDerWaalsContact O-CB 3.28Å; K59-V80 WeakPolarHBondContact O-CB 3.17Å; K59-V80 WeakPolarHBondContact O-CG2 3.37Å; K59-V80 PolarHBondContact O-N 2.81Å; K59-Q81 HydrophobicContact CB-CG 4.49Å; K59-D620 PolarHBondContact NZ-O 2.95Å; K59-D620 IonicContact NZ-OD1 2.78Å; K59-L621 HydrophobicContact CB-CD2 4.26Å; K59-L621 HydrophobicContact CD-CD2 4.41Å; K59-L621 WeakPolarHBondContact CD-O 3.37Å; K59-L621 PolarHBondContact NZ-O 3.18Å; K59-D623 WeakPolarHBondContact CE-OD1 3.33Å; K59-D623 VanDerWaalsContact CE-OD2 3.27Å; K59-D623 WeakPolarHBondContact CE-OD2 3.33Å; K59-D623 VanDerWaalsContact NZ-N 3.2Å; K59-D623 IonicContact NZ-OD1 3.18Å; K59-D623 PolarHBondContact NZ-OD1 3.25Å; K59-D623 IonicContact NZ-OD2 2.86Å; K59-D623 PolarHBondContact NZ-OD2 3.17Å; K59-D623 VanDerWaalsContact NZ-OD2 3.08Å |
| 60 | W | 93.3 | Very high | 92.7 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154.7 | -173.4 | -52.8 | 87.5 | 0 | 0 | 0 | 111.6 | A53 N55 D58 K77 C78 P79 F151 | A53-W60 WeakPolarHBondContact CA-O 3.5Å; A53-W60 HydrophobicContact CB-CB 4.43Å; A53-W60 PolarHBondContact N-O 2.8Å; A53-W60 PolarHBondContact O-N 3.29Å; N55-W60 PolarHBondContact OD1-NE1 2.94Å; D58-W60 HydrophobicContact CB-CZ2 3.74Å; D58-W60 VanDerWaalsContact O-CD1 3.28Å; D58-W60 PolarHBondContact O-NE1 3.23Å; W60-K77 HydrophobicContact CE3-CB 4.15Å; W60-K77 HydrophobicContact CE3-CD 4.11Å; W60-K77 HydrophobicContact CE3-CG 4.3Å; W60-K77 HydrophobicContact CZ3-CD 4.08Å; W60-K77 HydrophobicContact CZ3-CG 4.44Å; W60-C78 CarbonylContact C-O 3.59Å; W60-C78 VanDerWaalsContact CA-O 3.32Å; W60-C78 WeakPolarHBondContact CA-O 3.33Å; W60-P79 HydrophobicContact CE3-CB 4.04Å; W60-P79 HydrophobicContact CH2-CB 4.25Å; W60-P79 HydrophobicContact CZ3-CB 3.63Å; W60-P79 HydrophobicContact CZ3-CG 4.29Å; W60-F151 HydrophobicContact CB-CE2 4.02Å; W60-F151 HydrophobicContact CB-CZ 3.91Å; W60-F151 AromaticContact CD1-CE2 3.69Å; W60-F151 AromaticContact CD1-CZ 3.76Å; W60-F151 HydrophobicContact CD2-CE2 4.11Å; W60-F151 AromaticContact CG-CE2 3.65Å; W60-F151 HydrophobicContact CG-CE2 3.65Å; W60-F151 AromaticContact CG-CZ 3.87Å; W60-F151 HydrophobicContact CG-CZ 3.87Å |
| 61 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.7 | 158.4 | -50.5 | 179.9 | 0 | 0 | 0 | 108.9 | F38 Q51 Q52 V63 K77 C78 V80 L621 S630 V637 Q639 | F38-L61 HydrophobicContact CD2-CD1 4.16Å; F38-L61 HydrophobicContact CE2-CD1 3.88Å; Q51-L61 WeakPolarHBondContact O-CA 3.11Å; Q52-L61 HydrophobicContact CG-CD2 4.19Å; L61-V63 HydrophobicContact CB-CG2 4.36Å; L61-K77 CarbonylContact O-C 3.55Å; L61-K77 WeakPolarHBondContact O-CA 3.34Å; L61-C78 HydrophobicContact CB-CB 4.11Å; L61-C78 PolarHBondContact N-O 3.43Å; L61-C78 PolarHBondContact O-N 2.96Å; L61-V80 HydrophobicContact CD1-CG2 4.47Å; L61-V80 HydrophobicContact CD2-CG2 3.86Å; L61-V80 HydrophobicContact CG-CG2 3.67Å; L61-L621 HydrophobicContact CD2-CD1 3.77Å; L61-S630 WeakPolarHBondContact CD2-OG 3.29Å; L61-V637 HydrophobicContact CD1-CG1 3.77Å; L61-Q639 HydrophobicContact CD1-CB 4.36Å |
| 62 | L | 96.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.3 | 166.1 | -64.5 | -178.1 | 0 | 0 | 0 | 109.2 | V50 Q51 A53 V75 Y76 K77 L90 F123 L147 F151 | V50-L62 CarbonylContact C-O 3.47Å; V50-L62 WeakPolarHBondContact CA-O 3.37Å; Q51-L62 HydrophobicContact CB-CB 4.41Å; Q51-L62 PolarHBondContact N-O 3.3Å; Q51-L62 PolarHBondContact O-N 2.94Å; A53-L62 HydrophobicContact CB-CD1 4.02Å; A53-L62 HydrophobicContact CB-CG 3.77Å; L62-V75 HydrophobicContact CB-CG1 4.11Å; L62-V75 HydrophobicContact CD2-CG1 4.31Å; L62-Y76 CarbonylContact C-O 3.38Å; L62-Y76 WeakPolarHBondContact CA-O 3.35Å; L62-K77 HydrophobicContact CD2-CB 4.02Å; L62-L90 HydrophobicContact CD2-CD1 4.29Å; L62-F123 HydrophobicContact CD1-CB 4.29Å; L62-F123 HydrophobicContact CD1-CD1 4.22Å; L62-F123 HydrophobicContact CD1-CD2 3.45Å; L62-F123 VanDerWaalsContact CD1-CD2 3.45Å; L62-F123 HydrophobicContact CD1-CE2 3.83Å; L62-F123 HydrophobicContact CD1-CG 3.69Å; L62-F123 HydrophobicContact CD1-CZ 4.36Å; L62-L147 HydrophobicContact CD1-CD1 4.46Å; L62-F151 HydrophobicContact CD1-CD1 3.81Å; L62-F151 HydrophobicContact CD1-CE1 3.79Å; L62-F151 HydrophobicContact CD2-CD1 3.82Å; L62-F151 HydrophobicContact CD2-CD2 4.24Å; L62-F151 HydrophobicContact CD2-CE1 3.87Å; L62-F151 HydrophobicContact CD2-CE2 4.27Å; L62-F151 HydrophobicContact CD2-CG 4.01Å; L62-F151 HydrophobicContact CD2-CZ 4.09Å; L62-F151 HydrophobicContact CG-CD1 4.28Å; L62-F151 HydrophobicContact CG-CE1 4.05Å; L62-F151 HydrophobicContact CG-CZ 4.47Å |
| 63 | V | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.2 | -173.3 | -174.8 | 0 | 0 | 0 | 0 | 110 | F46 T49 L61 V75 Y76 V637 | F46-V63 HydrophobicContact CD1-CG1 4.17Å; F46-V63 HydrophobicContact CD2-CG1 3.93Å; F46-V63 HydrophobicContact CE1-CG1 3.93Å; F46-V63 HydrophobicContact CE2-CB 3.91Å; F46-V63 HydrophobicContact CE2-CG1 3.67Å; F46-V63 HydrophobicContact CE2-CG2 4.49Å; F46-V63 HydrophobicContact CG-CG1 4.18Å; F46-V63 HydrophobicContact CZ-CB 3.97Å; F46-V63 HydrophobicContact CZ-CG1 3.66Å; F46-V63 HydrophobicContact CZ-CG2 4.11Å; T49-V63 WeakPolarHBondContact O-CA 3.45Å; L61-V63 HydrophobicContact CB-CG2 4.36Å; V63-V75 CarbonylContact O-C 3.48Å; V63-V75 WeakPolarHBondContact O-CA 3.3Å; V63-Y76 PolarHBondContact N-O 3.48Å; V63-Y76 PolarHBondContact O-N 3.43Å; V63-V637 HydrophobicContact CB-CG2 4.21Å; V63-V637 HydrophobicContact CG1-CG2 3.47Å; V63-V637 VanDerWaalsContact CG1-CG2 3.47Å; V63-V637 HydrophobicContact CG2-CB 4.21Å; V63-V637 HydrophobicContact CG2-CG1 4.35Å; V63-V637 HydrophobicContact CG2-CG2 3.65Å |
| 64 | G | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 138.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G47 Y48 T49 | G47-G64 PolarHBondContact N-O 3.2Å; Y48-G64 PolarHBondContact N-O 3.49Å; T49-G64 PolarHBondContact O-N 3.18Å; T49-G64 WeakPolarHBondContact OG1-CA 3.49Å; T49-G64 PolarHBondContact OG1-N 2.83Å |
| 65 | A | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 75.6 | 175 | 0 | 0 | 0 | 0 | 0 | 108.9 | D44 F46 W67 S68 G73 D74 Y76 | D44-A65 HydrophobicContact CB-CB 4.19Å; D44-A65 CarbonylContact O-C 3.6Å; D44-A65 WeakPolarHBondContact O-CA 3.25Å; F46-A65 HydrophobicContact CB-CB 4.35Å; F46-A65 HydrophobicContact CD2-CB 4.46Å; A65-W67 PolarHBondContact O-N 2.8Å; A65-S68 PolarHBondContact O-N 3.41Å; A65-G73 WeakPolarHBondContact O-CA 3.3Å; A65-D74 PolarHBondContact N-O 3.03Å; A65-D74 PolarHBondContact O-N 3.35Å; A65-D74 VanDerWaalsContact O-N 3.17Å; A65-Y76 HydrophobicContact CB-CD2 3.91Å; A65-Y76 HydrophobicContact CB-CE2 3.56Å |
| 66 | P | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.4 | -167.9 | 24.6 | -34.1 | 0 | 0 | 0 | 113.9 | E45 Y48 G73 S109 L112 | E45-P66 HydrophobicContact CB-CG 4.07Å; Y48-P66 HydrophobicContact CD1-CG 4.42Å; Y48-P66 HydrophobicContact CD2-CG 3.77Å; Y48-P66 HydrophobicContact CG-CG 3.76Å; P66-G73 WeakPolarHBondContact O-CA 3.19Å; P66-G73 PolarHBondContact O-N 2.83Å; P66-S109 WeakPolarHBondContact O-CA 3.16Å; P66-L112 HydrophobicContact CB-CB 4.3Å; P66-L112 HydrophobicContact CB-CD1 4.09Å; P66-L112 HydrophobicContact CG-CD1 4.09Å |
| 67 | W | 96.1 | Very high | 94 | Very high | 102 Ų | 102 | 36.9 Ų | 36.9 | 39% | 0.386 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 3.8 | -178.4 | -71.6 | 5.4 | 0 | 0 | 0 | 114.6 | D44 E45 A65 R71 | D44-W67 PolarHBondContact O-N 2.86Å; E45-W67 HydrophobicContact CB-CB 4.44Å; E45-W67 HydrophobicContact CB-CG 4.39Å; E45-W67 HydrophobicContact CG-CB 4.27Å; E45-W67 HydrophobicContact CG-CD2 3.54Å; E45-W67 HydrophobicContact CG-CE3 3.53Å; E45-W67 HydrophobicContact CG-CG 3.89Å; E45-W67 HydrophobicContact CG-CH2 4.49Å; E45-W67 HydrophobicContact CG-CZ3 4.03Å; A65-W67 PolarHBondContact O-N 2.8Å; W67-R71 HydrophobicContact CB-CG 4.04Å; W67-R71 HydrophobicContact CG-CG 3.96Å; W67-R71 PolarHBondContact O-N 3.05Å |
| 68 | S | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | 147.8 | 177.1 | -152.2 | 0 | 0 | 0 | 0 | 112.8 | D44 A65 R71 K72 G73 K89 | D44-S68 WeakPolarHBondContact OD2-CA 3.42Å; D44-S68 VanDerWaalsContact OD2-CB 3.26Å; D44-S68 WeakPolarHBondContact OD2-CB 3.27Å; D44-S68 PolarHBondContact OD2-OG 3.47Å; A65-S68 PolarHBondContact O-N 3.41Å; S68-R71 CarbonylContact O-C 3.52Å; S68-R71 WeakPolarHBondContact O-CA 3.35Å; S68-R71 PolarHBondContact O-N 3.27Å; S68-K72 PolarHBondContact O-N 3.45Å; S68-G73 PolarHBondContact O-N 2.87Å; S68-K89 PolarHBondContact OG-NZ 3.11Å |
| 69 | D | 90.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 29.9 Ų | 29.9 | 39% | 0.39 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | 45.7 | 71.5 | 176.4 | -59.3 | -24.5 | 0 | 0 | 0 | 114.9 | R71 K72 K89 Q93 | D69-R71 PolarHBondContact O-N 3.05Å; D69-K72 HydrophobicContact CB-CB 4.39Å; D69-K72 HydrophobicContact CB-CD 4.42Å; D69-K72 VanDerWaalsContact O-CB 3.29Å; D69-K72 WeakPolarHBondContact O-CB 3.32Å; D69-K72 VanDerWaalsContact O-CG 3.27Å; D69-K72 WeakPolarHBondContact O-CG 3.17Å; D69-K72 PolarHBondContact O-N 2.96Å; D69-K72 VanDerWaalsContact O-N 3.15Å; D69-K89 IonicContact OD1-NZ 3.93Å; D69-K89 PolarHBondContact OD1-NZ 3.21Å; D69-K89 VanDerWaalsContact OD1-NZ 3.16Å; D69-K89 IonicContact OD2-NZ 3.21Å; D69-K89 PolarHBondContact OD2-NZ 3.38Å; D69-Q93 PolarHBondContact OD2-NE2 3.36Å |
| 70 | N | 88.6 | Confident | 94.9 | Very high | 140 Ų | 140 | 29.2 Ų | 29.2 | 75% | 0.749 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | 55.8 | 40.1 | -175.6 | -63.1 | -29.7 | 0 | 0 | 0 | 112.5 | K72 N107 | N70-K72 PolarHBondContact O-N 3.45Å; N70-K72 VanDerWaalsContact O-N 3.13Å; N70-N107 PolarHBondContact O-N 2.87Å |
| 71 | R | 92.1 | Very high | 94.4 | Very high | 113 Ų | 113 | 32 Ų | 32 | 43% | 0.426 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | 58 | 23.4 | -178.9 | -55.8 | 175.4 | 171.2 | -176.3 | -1.4 | 113.9 | W67 S68 D69 G73 N107 M108 S109 | W67-R71 HydrophobicContact CB-CG 4.04Å; W67-R71 HydrophobicContact CG-CG 3.96Å; W67-R71 PolarHBondContact O-N 3.05Å; S68-R71 CarbonylContact O-C 3.52Å; S68-R71 WeakPolarHBondContact O-CA 3.35Å; S68-R71 PolarHBondContact O-N 3.27Å; D69-R71 PolarHBondContact O-N 3.05Å; R71-G73 PolarHBondContact O-N 3.07Å; R71-N107 HydrophobicContact CB-CB 4.42Å; R71-N107 WeakPolarHBondContact CB-OD1 3.42Å; R71-N107 WeakPolarHBondContact CD-OD1 3.2Å; R71-N107 CarbonylContact O-C 3.44Å; R71-N107 WeakPolarHBondContact O-CA 3.47Å; R71-N107 PolarHBondContact O-N 3.24Å; R71-M108 PolarHBondContact O-N 3.03Å; R71-M108 VanDerWaalsContact O-N 3.11Å; R71-S109 PolarHBondContact O-N 3.46Å |
| 72 | K | 94.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 35 Ų | 35 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -39 | 161.7 | -79.1 | -177.9 | 173.9 | -169.5 | 0 | 109.7 | S68 D69 N70 Q93 D94 N105 M108 S109 L110 | S68-K72 PolarHBondContact O-N 3.45Å; D69-K72 HydrophobicContact CB-CB 4.39Å; D69-K72 HydrophobicContact CB-CD 4.42Å; D69-K72 VanDerWaalsContact O-CB 3.29Å; D69-K72 WeakPolarHBondContact O-CB 3.32Å; D69-K72 VanDerWaalsContact O-CG 3.27Å; D69-K72 WeakPolarHBondContact O-CG 3.17Å; D69-K72 PolarHBondContact O-N 2.96Å; D69-K72 VanDerWaalsContact O-N 3.15Å; N70-K72 PolarHBondContact O-N 3.45Å; N70-K72 VanDerWaalsContact O-N 3.13Å; K72-Q93 HydrophobicContact CB-CB 4.08Å; K72-Q93 HydrophobicContact CB-CG 4.36Å; K72-Q93 HydrophobicContact CD-CB 4.33Å; K72-Q93 HydrophobicContact CD-CG 4.01Å; K72-D94 IonicContact NZ-OD1 3.82Å; K72-D94 PolarHBondContact NZ-OD1 2.93Å; K72-N105 HydrophobicContact CG-CB 4.43Å; K72-N105 WeakPolarHBondContact CG-O 3.32Å; K72-M108 HydrophobicContact CB-CE 3.66Å; K72-M108 HydrophobicContact CG-CE 4.06Å; K72-M108 WeakPolarHBondContact O-CE 3.4Å; K72-M108 WeakPolarHBondContact O-CG 3.45Å; K72-S109 PolarHBondContact O-N 2.68Å; K72-L110 WeakPolarHBondContact O-CB 2.95Å; K72-L110 PolarHBondContact O-N 3.01Å |
| 73 | G | 95.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | 78.3 | 155.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A65 P66 S68 R71 Q93 L110 | A65-G73 WeakPolarHBondContact O-CA 3.3Å; P66-G73 WeakPolarHBondContact O-CA 3.19Å; P66-G73 PolarHBondContact O-N 2.83Å; S68-G73 PolarHBondContact O-N 2.87Å; R71-G73 PolarHBondContact O-N 3.07Å; G73-Q93 WeakPolarHBondContact O-CB 3.07Å; G73-L110 CarbonylContact C-O 3.56Å; G73-L110 WeakPolarHBondContact CA-O 3.34Å |
| 74 | D | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 174.9 | 178.2 | -159.6 | 3.9 | 0 | 0 | 0 | 110.8 | A65 K89 N91 L92 Q93 L110 | A65-D74 PolarHBondContact N-O 3.03Å; A65-D74 PolarHBondContact O-N 3.35Å; A65-D74 VanDerWaalsContact O-N 3.17Å; D74-K89 WeakPolarHBondContact OD2-CE 3.48Å; D74-K89 WeakPolarHBondContact OD2-CG 3.43Å; D74-N91 PolarHBondContact OD1-N 2.88Å; D74-N91 WeakPolarHBondContact OD2-CA 3.33Å; D74-N91 PolarHBondContact OD2-N 2.83Å; D74-L92 WeakPolarHBondContact OD1-CB 3.12Å; D74-L92 PolarHBondContact OD1-N 2.86Å; D74-Q93 VanDerWaalsContact CG-OE1 3.26Å; D74-Q93 PolarHBondContact OD2-OE1 2.82Å; D74-L110 PolarHBondContact N-O 3.22Å |
| 75 | V | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.5 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | L62 V63 L90 L92 L114 M125 | L62-V75 HydrophobicContact CB-CG1 4.11Å; L62-V75 HydrophobicContact CD2-CG1 4.31Å; V63-V75 CarbonylContact O-C 3.48Å; V63-V75 WeakPolarHBondContact O-CA 3.3Å; V75-L90 HydrophobicContact CB-CD1 4.15Å; V75-L90 HydrophobicContact CG1-CD1 4.08Å; V75-L90 WeakPolarHBondContact O-CB 3.38Å; V75-L90 VanDerWaalsContact O-CG 3.32Å; V75-L90 WeakPolarHBondContact O-CG 3.11Å; V75-L90 PolarHBondContact O-N 3.22Å; V75-L92 HydrophobicContact CB-CD1 3.98Å; V75-L92 HydrophobicContact CG2-CD1 4.2Å; V75-L114 HydrophobicContact CG1-CD1 4.11Å; V75-L114 HydrophobicContact CG2-CD1 4.3Å; V75-L114 HydrophobicContact CG2-CD2 3.8Å; V75-M125 HydrophobicContact CG2-SD 4.42Å |
| 76 | Y | 96.9 | Very high | 91 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148.1 | 174.8 | -69.9 | -109.8 | 0 | 0 | 0 | 109.7 | F46 L62 V63 A65 C87 D88 K89 | F46-Y76 HydrophobicContact CD2-CD1 4.41Å; F46-Y76 AromaticContact CD2-CD2 3.85Å; F46-Y76 HydrophobicContact CD2-CD2 3.85Å; F46-Y76 HydrophobicContact CD2-CE2 4.17Å; F46-Y76 AromaticContact CD2-CG 4Å; F46-Y76 HydrophobicContact CD2-CG 4Å; F46-Y76 HydrophobicContact CE2-CD1 4.06Å; F46-Y76 AromaticContact CE2-CD2 3.99Å; F46-Y76 HydrophobicContact CE2-CD2 3.99Å; F46-Y76 AromaticContact CE2-CG 3.67Å; F46-Y76 HydrophobicContact CE2-CG 3.67Å; L62-Y76 CarbonylContact C-O 3.38Å; L62-Y76 WeakPolarHBondContact CA-O 3.35Å; V63-Y76 PolarHBondContact N-O 3.48Å; V63-Y76 PolarHBondContact O-N 3.43Å; A65-Y76 HydrophobicContact CB-CD2 3.91Å; A65-Y76 HydrophobicContact CB-CE2 3.56Å; Y76-C87 HydrophobicContact CD1-CB 4.27Å; Y76-D88 CarbonylContact C-O 3.54Å; Y76-D88 VanDerWaalsContact CA-O 3.26Å; Y76-D88 WeakPolarHBondContact CA-O 3.45Å; Y76-K89 HydrophobicContact CD1-CB 3.87Å; Y76-K89 HydrophobicContact CD1-CG 4.45Å; Y76-K89 HydrophobicContact CE1-CB 3.52Å; Y76-K89 HydrophobicContact CE1-CD 4.31Å; Y76-K89 HydrophobicContact CE1-CG 3.96Å; Y76-K89 HydrophobicContact CE2-CG 4.23Å |
| 77 | K | 95.1 | Very high | 90.9 | Very high | 57 Ų | 57 | 57.8 Ų | 57.8 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.3 | 167.1 | 63.2 | 171.8 | 179.8 | 176.8 | 0 | 110.1 | W60 L61 L62 C87 D88 L90 F151 | W60-K77 HydrophobicContact CE3-CB 4.15Å; W60-K77 HydrophobicContact CE3-CD 4.11Å; W60-K77 HydrophobicContact CE3-CG 4.3Å; W60-K77 HydrophobicContact CZ3-CD 4.08Å; W60-K77 HydrophobicContact CZ3-CG 4.44Å; L61-K77 CarbonylContact O-C 3.55Å; L61-K77 WeakPolarHBondContact O-CA 3.34Å; L62-K77 HydrophobicContact CD2-CB 4.02Å; K77-C87 CarbonylContact O-C 3.53Å; K77-C87 VanDerWaalsContact O-CA 3.27Å; K77-C87 WeakPolarHBondContact O-CA 3.31Å; K77-C87 WeakPolarHBondContact O-CB 3.41Å; K77-D88 HydrophobicContact CG-CB 3.98Å; K77-D88 PolarHBondContact N-O 2.89Å; K77-D88 PolarHBondContact O-N 2.88Å; K77-L90 HydrophobicContact CB-CD2 4.22Å; K77-L90 HydrophobicContact CD-CD2 3.75Å; K77-L90 HydrophobicContact CG-CD2 3.74Å; K77-L90 HydrophobicContact CG-CG 4.44Å; K77-F151 HydrophobicContact CB-CD2 4.37Å; K77-F151 HydrophobicContact CB-CE2 4.46Å; K77-F151 HydrophobicContact CD-CD2 4.08Å; K77-F151 HydrophobicContact CD-CE2 4.47Å |
| 78 | C | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.7 | 180 | -54.1 | 0 | 0 | 0 | 0 | 109.1 | F38 W60 L61 V80 C87 | F38-C78 HydrophobicContact CD1-CB 3.73Å; F38-C78 HydrophobicContact CD2-CB 4.26Å; F38-C78 HydrophobicContact CE1-CB 3.79Å; F38-C78 HydrophobicContact CE2-CB 4.31Å; F38-C78 HydrophobicContact CG-CB 3.97Å; F38-C78 HydrophobicContact CZ-CB 4.07Å; W60-C78 CarbonylContact C-O 3.59Å; W60-C78 VanDerWaalsContact CA-O 3.32Å; W60-C78 WeakPolarHBondContact CA-O 3.33Å; L61-C78 HydrophobicContact CB-CB 4.11Å; L61-C78 PolarHBondContact N-O 3.43Å; L61-C78 PolarHBondContact O-N 2.96Å; C78-V80 PolarHBondContact O-N 3.25Å; C78-C87 HydrophobicContact CB-CB 4.03Å; C78-C87 WeakPolarHBondContact CB-SG 3.24Å; C78-C87 WeakPolarHBondContact SG-CB 3.49Å; C78-C87 CovalentContact SG-SG 2.03Å; C78-C87 PolarHBondContact SG-SG 3.22Å |
| 79 | P | 93.7 | Very high | 90.8 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.1 | 178.5 | 27.6 | -31.3 | 0 | 0 | 0 | 109.9 | K36 F38 W60 R86 | K36-P79 PolarHBondContact NZ-O 3.41Å; F38-P79 WeakPolarHBondContact CE1-O 3.46Å; F38-P79 WeakPolarHBondContact CZ-O 3.06Å; W60-P79 HydrophobicContact CE3-CB 4.04Å; W60-P79 HydrophobicContact CH2-CB 4.25Å; W60-P79 HydrophobicContact CZ3-CB 3.63Å; W60-P79 HydrophobicContact CZ3-CG 4.29Å; P79-R86 WeakPolarHBondContact CD-O 3.46Å |
| 80 | V | 91.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -77.4 | -41.4 | -179.8 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | K36 K59 L61 C78 L621 Q639 W641 | K36-V80 PolarHBondContact NZ-O 2.92Å; K59-V80 HydrophobicContact CB-CB 4.18Å; K59-V80 VanDerWaalsContact O-CB 3.28Å; K59-V80 WeakPolarHBondContact O-CB 3.17Å; K59-V80 WeakPolarHBondContact O-CG2 3.37Å; K59-V80 PolarHBondContact O-N 2.81Å; L61-V80 HydrophobicContact CD1-CG2 4.47Å; L61-V80 HydrophobicContact CD2-CG2 3.86Å; L61-V80 HydrophobicContact CG-CG2 3.67Å; C78-V80 PolarHBondContact O-N 3.25Å; V80-L621 HydrophobicContact CG1-CB 4.09Å; V80-L621 HydrophobicContact CG2-CD1 4.31Å; V80-Q639 HydrophobicContact CG1-CG 4.42Å; V80-W641 HydrophobicContact CG1-CH2 3.41Å; V80-W641 VanDerWaalsContact CG1-CH2 3.41Å; V80-W641 HydrophobicContact CG1-CZ2 4.27Å; V80-W641 HydrophobicContact CG1-CZ3 4.18Å |
| 81 | Q | 83.1 | Confident | 91.3 | Very high | 90 Ų | 90 | 55.3 Ų | 55.3 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -79.5 | 152.7 | 175.1 | -57.6 | -169.9 | -11.7 | 0 | 0 | 111.6 | D58 K59 | D58-Q81 WeakPolarHBondContact OD1-CB 3.34Å; D58-Q81 WeakPolarHBondContact OD1-CG 3.45Å; D58-Q81 PolarHBondContact OD1-OE1 2.78Å; K59-Q81 HydrophobicContact CB-CG 4.49Å |
| 82 | G | 78.8 | Confident | 91.4 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 84.9 | 170.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K36 S84 | K36-G82 PolarHBondContact NZ-O 2.79Å; G82-S84 VanDerWaalsContact C-N 3.34Å; G82-S84 PolarHBondContact O-N 3.21Å |
| 83 | S | 76.2 | Confident | 91 | Very high | 127 Ų | 127 | 48 Ų | 48 | 89% | 0.888 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -81.8 | -4.9 | -171.9 | 60.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 84 | S | 81.9 | Confident | 90.5 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | trans | -82.2 | 128.7 | -179.9 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | K36 G82 R86 | K36-S84 WeakPolarHBondContact CE-O 3.36Å; K36-S84 PolarHBondContact NZ-O 3.35Å; K36-S84 VanDerWaalsContact NZ-O 3.12Å; G82-S84 VanDerWaalsContact C-N 3.34Å; G82-S84 PolarHBondContact O-N 3.21Å; S84-R86 PolarHBondContact OG-N 3Å | ||
| 85 | N | 86.8 | Confident | 90.1 | Very high | 77 Ų | 77 | 56 Ų | 56 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | trans | -103.4 | 22.9 | 170.9 | -66.2 | -3 | 0 | 0 | 0 | 111.9 | K36 I37 F38 | K36-N85 WeakPolarHBondContact CE-OD1 3.31Å; K36-N85 VanDerWaalsContact CG-OD1 3.32Å; K36-N85 WeakPolarHBondContact CG-OD1 3.37Å; I37-N85 PolarHBondContact O-ND2 2.97Å; F38-N85 HydrophobicContact CD1-CB 4.47Å | ||
| 86 | R | 89.9 | Confident | 89.8 | Confident | 199 Ų | 199 | 56 Ų | 56 | 75% | 0.751 | 31% | 0.312 | S | S | * | . | trans | -96 | 138.8 | 177.7 | -63.4 | -175.7 | 177 | -173 | -0.8 | 110.1 | P79 S84 | P79-R86 WeakPolarHBondContact CD-O 3.46Å; S84-R86 PolarHBondContact OG-N 3Å | ||
| 87 | C | 94.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 59 Ų | 59 | 14% | 0.142 | 33% | 0.332 | C | S | . | . | trans | -104.8 | 142.6 | 172 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | F38 F46 Y76 K77 C78 | F38-C87 VanDerWaalsContact CB-SG 3.55Å; F46-C87 HydrophobicContact CE2-CB 4.4Å; F46-C87 HydrophobicContact CZ-CB 4.35Å; Y76-C87 HydrophobicContact CD1-CB 4.27Å; K77-C87 CarbonylContact O-C 3.53Å; K77-C87 VanDerWaalsContact O-CA 3.27Å; K77-C87 WeakPolarHBondContact O-CA 3.31Å; K77-C87 WeakPolarHBondContact O-CB 3.41Å; C78-C87 HydrophobicContact CB-CB 4.03Å; C78-C87 WeakPolarHBondContact CB-SG 3.24Å; C78-C87 WeakPolarHBondContact SG-CB 3.49Å; C78-C87 CovalentContact SG-SG 2.03Å; C78-C87 PolarHBondContact SG-SG 3.22Å | ||
| 88 | D | 94.6 | Very high | 89.3 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129 | 176.4 | -60.5 | -38.4 | 0 | 0 | 0 | 109.7 | Y76 K77 | Y76-D88 CarbonylContact C-O 3.54Å; Y76-D88 VanDerWaalsContact CA-O 3.26Å; Y76-D88 WeakPolarHBondContact CA-O 3.45Å; K77-D88 HydrophobicContact CG-CB 3.98Å; K77-D88 PolarHBondContact N-O 2.89Å; K77-D88 PolarHBondContact O-N 2.88Å |
| 89 | K | 95.3 | Very high | 88.9 | Confident | 49 Ų | 49 | 62 Ų | 62 | 21% | 0.213 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.8 | 171.2 | -172.2 | 171.3 | 178.2 | 173.2 | 0 | 109.4 | S68 D69 D74 Y76 N91 | S68-K89 PolarHBondContact OG-NZ 3.11Å; D69-K89 IonicContact OD1-NZ 3.93Å; D69-K89 PolarHBondContact OD1-NZ 3.21Å; D69-K89 VanDerWaalsContact OD1-NZ 3.16Å; D69-K89 IonicContact OD2-NZ 3.21Å; D69-K89 PolarHBondContact OD2-NZ 3.38Å; D74-K89 WeakPolarHBondContact OD2-CE 3.48Å; D74-K89 WeakPolarHBondContact OD2-CG 3.43Å; Y76-K89 HydrophobicContact CD1-CB 3.87Å; Y76-K89 HydrophobicContact CD1-CG 4.45Å; Y76-K89 HydrophobicContact CE1-CB 3.52Å; Y76-K89 HydrophobicContact CE1-CD 4.31Å; Y76-K89 HydrophobicContact CE1-CG 3.96Å; Y76-K89 HydrophobicContact CE2-CG 4.23Å; K89-N91 PolarHBondContact O-ND2 2.68Å |
| 90 | L | 95.1 | Very high | 88.4 | Confident | 36 Ų | 36 | 69.4 Ų | 69.4 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | trans | -81.9 | -17 | -176.8 | -65.6 | 177.4 | 0 | 0 | 0 | 113.5 | L62 V75 K77 L92 F151 | L62-L90 HydrophobicContact CD2-CD1 4.29Å; V75-L90 HydrophobicContact CB-CD1 4.15Å; V75-L90 HydrophobicContact CG1-CD1 4.08Å; V75-L90 WeakPolarHBondContact O-CB 3.38Å; V75-L90 VanDerWaalsContact O-CG 3.32Å; V75-L90 WeakPolarHBondContact O-CG 3.11Å; V75-L90 PolarHBondContact O-N 3.22Å; K77-L90 HydrophobicContact CB-CD2 4.22Å; K77-L90 HydrophobicContact CD-CD2 3.75Å; K77-L90 HydrophobicContact CG-CD2 3.74Å; K77-L90 HydrophobicContact CG-CG 4.44Å; L90-L92 HydrophobicContact CB-CD1 3.79Å; L90-L92 HydrophobicContact CB-CD2 3.96Å; L90-L92 HydrophobicContact CB-CG 3.55Å; L90-L92 HydrophobicContact CD1-CD1 3.89Å; L90-L92 PolarHBondContact O-N 2.77Å; L90-F151 HydrophobicContact CD1-CB 3.96Å; L90-F151 HydrophobicContact CD2-CB 4.34Å | ||
| 91 | N | 94.3 | Very high | 88.1 | Confident | 92 Ų | 92 | 71 Ų | 71 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | trans | 56.2 | 46.5 | 179.4 | -56.6 | -71.6 | 0 | 0 | 0 | 112.7 | D74 K89 | D74-N91 PolarHBondContact OD1-N 2.88Å; D74-N91 WeakPolarHBondContact OD2-CA 3.33Å; D74-N91 PolarHBondContact OD2-N 2.83Å; K89-N91 PolarHBondContact O-ND2 2.68Å | ||
| 92 | L | 92.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | trans | -83.7 | -22.2 | -173.2 | -59.5 | 173.7 | 0 | 0 | 0 | 113.4 | D74 V75 L90 D94 S95 V96 L110 M125 L147 P153 | D74-L92 WeakPolarHBondContact OD1-CB 3.12Å; D74-L92 PolarHBondContact OD1-N 2.86Å; V75-L92 HydrophobicContact CB-CD1 3.98Å; V75-L92 HydrophobicContact CG2-CD1 4.2Å; L90-L92 HydrophobicContact CB-CD1 3.79Å; L90-L92 HydrophobicContact CB-CD2 3.96Å; L90-L92 HydrophobicContact CB-CG 3.55Å; L90-L92 HydrophobicContact CD1-CD1 3.89Å; L90-L92 PolarHBondContact O-N 2.77Å; L92-D94 VanDerWaalsContact C-N 3.28Å; L92-D94 PolarHBondContact O-N 3.46Å; L92-D94 VanDerWaalsContact O-N 3.17Å; L92-S95 WeakPolarHBondContact O-CA 3.39Å; L92-S95 WeakPolarHBondContact O-CB 3.39Å; L92-S95 PolarHBondContact O-N 3.19Å; L92-V96 WeakPolarHBondContact O-CG2 3.29Å; L92-V96 PolarHBondContact O-N 3.32Å; L92-L110 HydrophobicContact CB-CD2 4.18Å; L92-M125 HydrophobicContact CB-CE 4.09Å; L92-M125 HydrophobicContact CB-SD 4.22Å; L92-M125 HydrophobicContact CD1-CE 4.1Å; L92-M125 HydrophobicContact CD1-SD 3.57Å; L92-M125 VanDerWaalsContact CD1-SD 3.57Å; L92-M125 HydrophobicContact CG-SD 4.5Å; L92-L147 HydrophobicContact CD1-CD1 4.31Å; L92-L147 HydrophobicContact CD1-CD2 4.02Å; L92-P153 HydrophobicContact CD2-CB 4.5Å; L92-P153 HydrophobicContact CD2-CG 4.03Å | ||
| 93 | Q | 85.9 | Confident | 88.7 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 3% | 0.028 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -52.1 | -40 | -172.3 | 63.8 | -77.8 | 17.5 | 0 | 0 | 114.3 | D69 K72 G73 D74 S95 M108 | D69-Q93 PolarHBondContact OD2-NE2 3.36Å; K72-Q93 HydrophobicContact CB-CB 4.08Å; K72-Q93 HydrophobicContact CB-CG 4.36Å; K72-Q93 HydrophobicContact CD-CB 4.33Å; K72-Q93 HydrophobicContact CD-CG 4.01Å; G73-Q93 WeakPolarHBondContact O-CB 3.07Å; D74-Q93 VanDerWaalsContact CG-OE1 3.26Å; D74-Q93 PolarHBondContact OD2-OE1 2.82Å; Q93-S95 VanDerWaalsContact C-N 3.35Å; Q93-M108 HydrophobicContact CB-CE 3.54Å |
| 94 | D | 86.1 | Confident | 89.3 | Confident | 99 Ų | 99 | 64.7 Ų | 64.7 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -88.6 | -6.5 | -178.4 | -60.8 | -39.8 | 0 | 0 | 0 | 112.6 | K72 L92 | K72-D94 IonicContact NZ-OD1 3.82Å; K72-D94 PolarHBondContact NZ-OD1 2.93Å; L92-D94 VanDerWaalsContact C-N 3.28Å; L92-D94 PolarHBondContact O-N 3.46Å; L92-D94 VanDerWaalsContact O-N 3.17Å |
| 95 | S | 87.1 | Confident | 89.6 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 48% | 0.483 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -89.6 | -10.3 | 175.9 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | L92 Q93 | L92-S95 WeakPolarHBondContact O-CA 3.39Å; L92-S95 WeakPolarHBondContact O-CB 3.39Å; L92-S95 PolarHBondContact O-N 3.19Å; Q93-S95 VanDerWaalsContact C-N 3.35Å |
| 96 | V | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -100.6 | 93.2 | -176.5 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | L92 L110 M125 I143 A156 | L92-V96 WeakPolarHBondContact O-CG2 3.29Å; L92-V96 PolarHBondContact O-N 3.32Å; V96-L110 HydrophobicContact CG2-CD2 4.01Å; V96-M125 HydrophobicContact CG2-CE 3.5Å; V96-I143 HydrophobicContact CG1-CD1 3.6Å; V96-I143 HydrophobicContact CG1-CG1 3.74Å; V96-I143 HydrophobicContact CG1-CG2 3.98Å; V96-A156 HydrophobicContact CB-CB 4.42Å; V96-A156 HydrophobicContact CG1-CB 3.54Å | ||
| 97 | T | 90.6 | Very high | 89.6 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 52% | 0.515 | 34% | 0.336 | S | S | . | . | trans | -134.4 | 146.9 | -179.6 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 98 | I | 91.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | trans | -99 | 126.9 | 170.9 | -57.9 | -57.8 | 0 | 0 | 0 | 108.7 | V101 W130 I143 A156 I161 | I98-V101 HydrophobicContact CB-CB 4.3Å; I98-V101 HydrophobicContact CB-CG2 4.46Å; I98-V101 HydrophobicContact CG2-CB 4.12Å; I98-V101 HydrophobicContact CG2-CG2 3.76Å; I98-W130 HydrophobicContact CB-CH2 4.42Å; I98-W130 HydrophobicContact CG1-CH2 4.03Å; I98-W130 HydrophobicContact CG1-CZ2 4.29Å; I98-I143 HydrophobicContact CD1-CD1 3.84Å; I98-I143 HydrophobicContact CD1-CG1 4.19Å; I98-I143 HydrophobicContact CG1-CD1 3.67Å; I98-I143 HydrophobicContact CG1-CG1 4.4Å; I98-A156 HydrophobicContact CD1-CB 4.12Å; I98-I161 HydrophobicContact CB-CD1 4.43Å; I98-I161 HydrophobicContact CG1-CD1 4.21Å; I98-I161 HydrophobicContact CG2-CD1 3.54Å | ||
| 99 | P | 86.2 | Confident | 89.6 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 145.8 | 173.3 | -22.7 | 33.4 | 0 | 0 | 0 | 112.2 | V101 | P99-V101 PolarHBondContact O-N 3.01Å; P99-V101 VanDerWaalsContact O-N 3.15Å |
| 100 | D | 82.7 | Confident | 89.7 | Confident | 174 Ų | 174 | 50.2 Ų | 50.2 | 93% | 0.93 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 19.4 | 174 | -49.2 | -47.7 | 0 | 0 | 0 | 115.6 | ||
| 101 | V | 85.6 | Confident | 89.7 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -129.7 | 132 | 177.1 | -179 | 0 | 0 | 0 | 0 | 110.9 | I98 P99 G103 W130 Q132 I161 | I98-V101 HydrophobicContact CB-CB 4.3Å; I98-V101 HydrophobicContact CB-CG2 4.46Å; I98-V101 HydrophobicContact CG2-CB 4.12Å; I98-V101 HydrophobicContact CG2-CG2 3.76Å; P99-V101 PolarHBondContact O-N 3.01Å; P99-V101 VanDerWaalsContact O-N 3.15Å; V101-G103 PolarHBondContact O-N 2.94Å; V101-G103 VanDerWaalsContact O-N 3.11Å; V101-W130 HydrophobicContact CG1-CH2 3.94Å; V101-Q132 HydrophobicContact CG1-CB 4.28Å; V101-Q132 HydrophobicContact CG1-CG 3.67Å; V101-I161 HydrophobicContact CG2-CG2 4.28Å |
| 102 | T | 87.4 | Confident | 89.8 | Confident | 93 Ų | 93 | 45.5 Ų | 45.5 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | trans | -76.1 | 96.2 | 172.7 | -51 | 0 | 0 | 0 | 0 | 110 | Q133 | T102-Q133 HydrophobicContact CG2-CB 4.12Å; T102-Q133 PolarHBondContact O-N 2.9Å | ||
| 103 | G | 87.5 | Confident | 90 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 139.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V101 G131 | V101-G103 PolarHBondContact O-N 2.94Å; V101-G103 VanDerWaalsContact O-N 3.11Å; G103-G131 CarbonylContact C-O 3.58Å; G103-G131 WeakPolarHBondContact CA-O 3.25Å |
| 104 | V | 89.7 | Confident | 90.4 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 99.3 | 169.6 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | T106 G131 Q133 | V104-T106 WeakPolarHBondContact CG1-OG1 3.36Å; V104-G131 PolarHBondContact N-O 2.85Å; V104-G131 PolarHBondContact O-N 2.91Å; V104-Q133 HydrophobicContact CG2-CB 3.9Å |
| 105 | N | 88 | Confident | 90.7 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | trans | -86.3 | -16 | -174.3 | -61.3 | -5.7 | 0 | 0 | 0 | 112.6 | K72 N107 M108 W130 | K72-N105 HydrophobicContact CG-CB 4.43Å; K72-N105 WeakPolarHBondContact CG-O 3.32Å; N105-N107 PolarHBondContact O-N 2.86Å; N105-M108 HydrophobicContact CB-CE 4.23Å; N105-M108 HydrophobicContact CB-SD 4.22Å; N105-M108 WeakPolarHBondContact O-CB 3.31Å; N105-M108 WeakPolarHBondContact O-CG 3.43Å; N105-M108 PolarHBondContact O-N 2.8Å; N105-W130 PolarHBondContact OD1-NE1 3.16Å | ||
| 106 | T | 86.3 | Confident | 90.8 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 133.6 | 175.7 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | V104 M108 | V104-T106 WeakPolarHBondContact CG1-OG1 3.36Å; T106-M108 PolarHBondContact O-N 3.49Å |
| 107 | N | 90.3 | Very high | 90.2 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 8.2 | -174.4 | -55 | -53 | 0 | 0 | 0 | 116.5 | N70 R71 N105 S109 L129 | N70-N107 PolarHBondContact O-N 2.87Å; R71-N107 HydrophobicContact CB-CB 4.42Å; R71-N107 WeakPolarHBondContact CB-OD1 3.42Å; R71-N107 WeakPolarHBondContact CD-OD1 3.2Å; R71-N107 CarbonylContact O-C 3.44Å; R71-N107 WeakPolarHBondContact O-CA 3.47Å; R71-N107 PolarHBondContact O-N 3.24Å; N105-N107 PolarHBondContact O-N 2.86Å; N107-S109 PolarHBondContact O-N 3.37Å; N107-S109 PolarHBondContact O-OG 2.91Å; N107-L129 WeakPolarHBondContact O-CB 3.45Å |
| 108 | M | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -59.5 | -22.9 | -176.4 | 75.4 | 177.9 | 154.3 | 0 | 0 | 114.8 | R71 K72 Q93 N105 T106 L110 G127 L129 W130 | R71-M108 PolarHBondContact O-N 3.03Å; R71-M108 VanDerWaalsContact O-N 3.11Å; K72-M108 HydrophobicContact CB-CE 3.66Å; K72-M108 HydrophobicContact CG-CE 4.06Å; K72-M108 WeakPolarHBondContact O-CE 3.4Å; K72-M108 WeakPolarHBondContact O-CG 3.45Å; Q93-M108 HydrophobicContact CB-CE 3.54Å; N105-M108 HydrophobicContact CB-CE 4.23Å; N105-M108 HydrophobicContact CB-SD 4.22Å; N105-M108 WeakPolarHBondContact O-CB 3.31Å; N105-M108 WeakPolarHBondContact O-CG 3.43Å; N105-M108 PolarHBondContact O-N 2.8Å; T106-M108 PolarHBondContact O-N 3.49Å; M108-L110 HydrophobicContact CE-CB 4.35Å; M108-L110 HydrophobicContact CG-CB 4.34Å; M108-L110 PolarHBondContact O-N 2.88Å; M108-L110 HydrophobicContact SD-CB 4.44Å; M108-G127 CarbonylContact O-C 3.55Å; M108-G127 WeakPolarHBondContact O-CA 3.49Å; M108-L129 VanDerWaalsContact CA-C 3.49Å; M108-L129 WeakPolarHBondContact CA-O 3.39Å; M108-L129 PolarHBondContact O-N 3.48Å; M108-W130 HydrophobicContact CB-CB 3.79Å; M108-W130 HydrophobicContact CB-CG 4.41Å | ||
| 109 | S | 96.1 | Very high | 87.7 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | trans | 58 | 43.9 | 175.3 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | P66 R71 K72 N107 G111 L112 | P66-S109 WeakPolarHBondContact O-CA 3.16Å; R71-S109 PolarHBondContact O-N 3.46Å; K72-S109 PolarHBondContact O-N 2.68Å; N107-S109 PolarHBondContact O-N 3.37Å; N107-S109 PolarHBondContact O-OG 2.91Å; S109-G111 PolarHBondContact O-N 3.3Å; S109-L112 VanDerWaalsContact O-CB 3.25Å; S109-L112 WeakPolarHBondContact O-CB 3.02Å; S109-L112 PolarHBondContact O-N 2.94Å; S109-L112 VanDerWaalsContact O-N 3.11Å | ||
| 110 | L | 96.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -57.2 | 135.3 | 175.5 | -171.8 | 68.7 | 0 | 0 | 0 | 110.4 | K72 G73 D74 L92 V96 M108 M125 | K72-L110 WeakPolarHBondContact O-CB 2.95Å; K72-L110 PolarHBondContact O-N 3.01Å; G73-L110 CarbonylContact C-O 3.56Å; G73-L110 WeakPolarHBondContact CA-O 3.34Å; D74-L110 PolarHBondContact N-O 3.22Å; L92-L110 HydrophobicContact CB-CD2 4.18Å; V96-L110 HydrophobicContact CG2-CD2 4.01Å; M108-L110 HydrophobicContact CE-CB 4.35Å; M108-L110 HydrophobicContact CG-CB 4.34Å; M108-L110 PolarHBondContact O-N 2.88Å; M108-L110 HydrophobicContact SD-CB 4.44Å; L110-M125 HydrophobicContact CD1-CB 4.49Å; L110-M125 HydrophobicContact CD1-CG 4.17Å; L110-M125 HydrophobicContact CD1-SD 4.09Å; L110-M125 HydrophobicContact CD2-CE 4.42Å; L110-M125 HydrophobicContact CD2-SD 4.05Å; L110-M125 HydrophobicContact CG-SD 4.2Å |
| 111 | G | 94.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -0 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | T49 S109 T113 C126 | T49-G111 PolarHBondContact OG1-O 2.94Å; S109-G111 PolarHBondContact O-N 3.3Å; G111-T113 PolarHBondContact O-N 3.43Å; G111-C126 PolarHBondContact N-O 2.83Å |
| 112 | L | 96.6 | Very high | 85.9 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -59.2 | -38.7 | 167.8 | -167 | 77.7 | 0 | 0 | 0 | 111.1 | Y48 T49 P66 S109 P128 | Y48-L112 HydrophobicContact CD1-CD1 3.9Å; Y48-L112 HydrophobicContact CD2-CD1 4.31Å; Y48-L112 HydrophobicContact CE1-CD1 3.36Å; Y48-L112 HydrophobicContact CE1-CG 4.03Å; Y48-L112 HydrophobicContact CE2-CD1 3.89Å; Y48-L112 HydrophobicContact CG-CD1 4.4Å; T49-L112 WeakPolarHBondContact CG2-O 3.45Å; P66-L112 HydrophobicContact CB-CB 4.3Å; P66-L112 HydrophobicContact CB-CD1 4.09Å; P66-L112 HydrophobicContact CG-CD1 4.09Å; S109-L112 VanDerWaalsContact O-CB 3.25Å; S109-L112 WeakPolarHBondContact O-CB 3.02Å; S109-L112 PolarHBondContact O-N 2.94Å; S109-L112 VanDerWaalsContact O-N 3.11Å; L112-P128 HydrophobicContact CB-CG 4.37Å; L112-P128 HydrophobicContact CD2-CG 3.49Å; L112-P128 VanDerWaalsContact CD2-CG 3.49Å |
| 113 | T | 97.3 | Very high | 86.1 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.8 | 174.1 | -49.7 | 0 | 0 | 0 | 0 | 109 | G111 M125 C126 G377 F378 A380 | G111-T113 PolarHBondContact O-N 3.43Å; T113-M125 WeakPolarHBondContact O-CA 3.28Å; T113-C126 PolarHBondContact O-N 2.78Å; T113-G377 WeakPolarHBondContact CB-O 3.39Å; T113-G377 PolarHBondContact OG1-O 3.18Å; T113-F378 PolarHBondContact OG1-O 3.18Å; T113-A380 HydrophobicContact CG2-CB 3.82Å |
| 114 | L | 95 | Very high | 86.4 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.1 | 169.2 | -68.4 | 179.8 | 0 | 0 | 0 | 108 | T49 Q51 V75 L124 M125 | T49-L114 VanDerWaalsContact OG1-CD1 3.31Å; T49-L114 WeakPolarHBondContact OG1-CD1 3.37Å; Q51-L114 HydrophobicContact CG-CB 3.89Å; V75-L114 HydrophobicContact CG1-CD1 4.11Å; V75-L114 HydrophobicContact CG2-CD1 4.3Å; V75-L114 HydrophobicContact CG2-CD2 3.8Å; L114-L124 WeakPolarHBondContact CA-O 3.48Å; L114-M125 HydrophobicContact CD2-CB 3.63Å |
| 115 | A | 92.5 | Very high | 86.7 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F123 L124 A380 | A115-F123 CarbonylContact O-C 3.54Å; A115-F123 WeakPolarHBondContact O-CA 3.49Å; A115-L124 PolarHBondContact N-O 2.92Å; A115-L124 PolarHBondContact O-N 2.77Å; A115-A380 HydrophobicContact CB-CB 4.08Å |
| 116 | P | 88.9 | Confident | 87.1 | Confident | 66 Ų | 66 | 29.2 Ų | 29.2 | 43% | 0.429 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 147.2 | 176.3 | 29.2 | -32.1 | 0 | 0 | 0 | 111.2 | F123 | P116-F123 HydrophobicContact CB-CE1 4.37Å |
| 117 | N | 78.1 | Confident | 87.6 | Confident | 24 Ų | 24 | 25.8 Ų | 25.8 | 13% | 0.128 | 15% | 0.145 | C | C | . | . | trans | -87.6 | 170.9 | 175.3 | -168.5 | 8.9 | 0 | 0 | 0 | 111.4 | T119 G120 G122 | N117-T119 VanDerWaalsContact C-N 3.29Å; N117-T119 PolarHBondContact O-N 3.33Å; N117-T119 VanDerWaalsContact O-N 3.14Å; N117-G120 PolarHBondContact O-N 3.25Å; N117-G122 WeakPolarHBondContact CB-O 3.48Å; N117-G122 PolarHBondContact N-O 2.64Å | ||
| 118 | H | 68.4 | Low | 87.9 | Confident | 94 Ų | 94 | 22.4 Ų | 22.4 | 44% | 0.435 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -36.2 | -176.4 | 71.1 | -75.4 | 0 | 0 | 0 | 116.5 | G120 Y382 | H118-G120 VanDerWaalsContact C-N 3.31Å; H118-Y382 HydrophobicContact CB-CD1 3.79Å; H118-Y382 HydrophobicContact CB-CD2 4.3Å; H118-Y382 HydrophobicContact CB-CE1 3.19Å; H118-Y382 HydrophobicContact CB-CE2 3.8Å; H118-Y382 HydrophobicContact CB-CG 4.33Å; H118-Y382 WeakPolarHBondContact CB-OH 3.38Å |
| 119 | T | 61.3 | Low | 88 | Confident | 70 Ų | 70 | 25.2 Ų | 25.2 | 43% | 0.429 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.7 | 179.9 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | N117 H121 | N117-T119 VanDerWaalsContact C-N 3.29Å; N117-T119 PolarHBondContact O-N 3.33Å; N117-T119 VanDerWaalsContact O-N 3.14Å; T119-H121 PolarHBondContact O-CD2 2.95Å; T119-H121 PolarHBondContact O-N 3.49Å; T119-H121 PolarHBondContact OG1-N 3.19Å |
| 120 | G | 62.4 | Low | 88 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 26% | 0.258 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 68.1 | 4.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N117 H118 | N117-G120 PolarHBondContact O-N 3.25Å; H118-G120 VanDerWaalsContact C-N 3.31Å |
| 121 | H | 68.2 | Low | 87.8 | Confident | 108 Ų | 108 | 25.1 Ų | 25.1 | 50% | 0.5 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -111.4 | -11.9 | -179.1 | -62.5 | -63.6 | 0 | 0 | 0 | 113.7 | T119 P149 | T119-H121 PolarHBondContact O-CD2 2.95Å; T119-H121 PolarHBondContact O-N 3.49Å; T119-H121 PolarHBondContact OG1-N 3.19Å; H121-P149 HydrophobicContact CB-CB 4.29Å; H121-P149 HydrophobicContact CB-CG 3.88Å; H121-P149 WeakPolarHBondContact O-CA 3.45Å; H121-P149 VanDerWaalsContact O-CB 3.29Å; H121-P149 WeakPolarHBondContact O-CB 3.5Å; H121-P149 WeakPolarHBondContact O-CG 3.45Å |
| 122 | G | 84.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | trans | -121.2 | 171.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | N117 L147 | N117-G122 WeakPolarHBondContact CB-O 3.48Å; N117-G122 PolarHBondContact N-O 2.64Å; G122-L147 VanDerWaalsContact CA-O 3.23Å; G122-L147 WeakPolarHBondContact CA-O 3.46Å | ||
| 123 | F | 92 | Very high | 87.1 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.6 | -176.9 | -63.9 | -89.7 | 0 | 0 | 0 | 110.7 | Q51 A53 L62 A115 P116 K146 L147 F151 | Q51-F123 HydrophobicContact CB-CD1 4.18Å; Q51-F123 HydrophobicContact CB-CE1 3.82Å; Q51-F123 HydrophobicContact CG-CD1 4.39Å; Q51-F123 HydrophobicContact CG-CE1 4.4Å; A53-F123 HydrophobicContact CB-CD2 4.44Å; A53-F123 HydrophobicContact CB-CE1 4.36Å; A53-F123 HydrophobicContact CB-CE2 3.4Å; A53-F123 HydrophobicContact CB-CZ 3.36Å; L62-F123 HydrophobicContact CD1-CB 4.29Å; L62-F123 HydrophobicContact CD1-CD1 4.22Å; L62-F123 HydrophobicContact CD1-CD2 3.45Å; L62-F123 VanDerWaalsContact CD1-CD2 3.45Å; L62-F123 HydrophobicContact CD1-CE2 3.83Å; L62-F123 HydrophobicContact CD1-CG 3.69Å; L62-F123 HydrophobicContact CD1-CZ 4.36Å; A115-F123 CarbonylContact O-C 3.54Å; A115-F123 WeakPolarHBondContact O-CA 3.49Å; P116-F123 HydrophobicContact CB-CE1 4.37Å; F123-K146 CarbonylContact O-C 3.48Å; F123-K146 WeakPolarHBondContact O-CA 3.4Å; F123-L147 HydrophobicContact CB-CB 4.26Å; F123-L147 HydrophobicContact CB-CD1 4.44Å; F123-L147 PolarHBondContact N-O 2.96Å; F123-L147 PolarHBondContact O-N 3.24Å; F123-F151 HydrophobicContact CD2-CE1 4.43Å; F123-F151 HydrophobicContact CE2-CE1 4.25Å |
| 124 | L | 93.9 | Very high | 86.1 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.6 | 166.2 | -176.2 | 74.4 | 0 | 0 | 0 | 107.6 | L114 A115 C144 K146 F157 A380 M389 L391 | L114-L124 WeakPolarHBondContact CA-O 3.48Å; A115-L124 PolarHBondContact N-O 2.92Å; A115-L124 PolarHBondContact O-N 2.77Å; L124-C144 HydrophobicContact CD1-CB 4.11Å; L124-K146 HydrophobicContact CD1-CG 3.99Å; L124-F157 HydrophobicContact CD1-CE1 4.06Å; L124-F157 HydrophobicContact CD1-CZ 3.89Å; L124-A380 HydrophobicContact CD2-CB 3.63Å; L124-M389 HydrophobicContact CD1-SD 4.44Å; L124-L391 HydrophobicContact CD2-CD2 3.62Å |
| 125 | M | 95.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.4 | 168.9 | 64.6 | 173 | 179.3 | 0 | 0 | 109.9 | V75 L92 V96 L110 T113 L114 C144 S145 L147 P153 | V75-M125 HydrophobicContact CG2-SD 4.42Å; L92-M125 HydrophobicContact CB-CE 4.09Å; L92-M125 HydrophobicContact CB-SD 4.22Å; L92-M125 HydrophobicContact CD1-CE 4.1Å; L92-M125 HydrophobicContact CD1-SD 3.57Å; L92-M125 VanDerWaalsContact CD1-SD 3.57Å; L92-M125 HydrophobicContact CG-SD 4.5Å; V96-M125 HydrophobicContact CG2-CE 3.5Å; L110-M125 HydrophobicContact CD1-CB 4.49Å; L110-M125 HydrophobicContact CD1-CG 4.17Å; L110-M125 HydrophobicContact CD1-SD 4.09Å; L110-M125 HydrophobicContact CD2-CE 4.42Å; L110-M125 HydrophobicContact CD2-SD 4.05Å; L110-M125 HydrophobicContact CG-SD 4.2Å; T113-M125 WeakPolarHBondContact O-CA 3.28Å; L114-M125 HydrophobicContact CD2-CB 3.63Å; M125-C144 CarbonylContact O-C 3.46Å; M125-C144 VanDerWaalsContact O-CA 3.25Å; M125-C144 WeakPolarHBondContact O-CA 3.4Å; M125-S145 WeakPolarHBondContact CG-O 3.29Å; M125-S145 PolarHBondContact N-O 3.32Å; M125-S145 PolarHBondContact O-N 3.07Å; M125-L147 HydrophobicContact CE-CD2 3.8Å; M125-L147 HydrophobicContact CG-CD2 4.49Å; M125-L147 HydrophobicContact CG-CG 4.34Å; M125-L147 HydrophobicContact SD-CD1 4.33Å; M125-L147 HydrophobicContact SD-CD2 3.94Å; M125-L147 HydrophobicContact SD-CG 4.27Å; M125-P153 HydrophobicContact CE-CB 3.92Å |
| 126 | C | 96.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 148.3 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | G111 T113 I143 C144 G377 | G111-C126 PolarHBondContact N-O 2.83Å; T113-C126 PolarHBondContact O-N 2.78Å; C126-I143 CarbonylContact C-O 3.27Å; C126-I143 VanDerWaalsContact CA-O 3.23Å; C126-I143 WeakPolarHBondContact CA-O 3.49Å; C126-I143 WeakPolarHBondContact CB-O 3.42Å; C126-C144 HydrophobicContact CB-CB 4.09Å; C126-C144 WeakPolarHBondContact CB-SG 3.36Å; C126-C144 WeakPolarHBondContact SG-CB 3.37Å; C126-C144 CovalentContact SG-SG 2.05Å; C126-C144 PolarHBondContact SG-SG 2.85Å; C126-G377 WeakPolarHBondContact CB-O 3.33Å |
| 127 | G | 97.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 87.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | M108 L129 W130 I143 | M108-G127 CarbonylContact O-C 3.55Å; M108-G127 WeakPolarHBondContact O-CA 3.49Å; G127-L129 PolarHBondContact O-N 3.43Å; G127-W130 WeakPolarHBondContact O-CB 3.21Å; G127-W130 PolarHBondContact O-N 2.86Å; G127-W130 VanDerWaalsContact O-N 3.1Å; G127-I143 PolarHBondContact N-O 3.22Å; G127-I143 PolarHBondContact O-N 2.74Å; G127-I143 VanDerWaalsContact O-N 3.08Å |
| 128 | P | 96.6 | Very high | 83 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -13.5 | -171.7 | 25.6 | -32.4 | 0 | 0 | 0 | 113.6 | L112 Q375 F378 | L112-P128 HydrophobicContact CB-CG 4.37Å; L112-P128 HydrophobicContact CD2-CG 3.49Å; L112-P128 VanDerWaalsContact CD2-CG 3.49Å; P128-Q375 HydrophobicContact CB-CB 4.27Å; P128-Q375 WeakPolarHBondContact O-CA 3.13Å; P128-Q375 WeakPolarHBondContact O-CB 3.48Å; P128-Q375 WeakPolarHBondContact O-CG 3.43Å; P128-F378 HydrophobicContact CB-CB 4.24Å; P128-F378 HydrophobicContact CB-CD2 4.42Å; P128-F378 HydrophobicContact CG-CD2 4.43Å |
| 129 | L | 95.6 | Very high | 84 | Confident | 59 Ų | 59 | 34.9 Ų | 34.9 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 14 | 176 | -68.9 | 175.9 | 0 | 0 | 0 | 112.3 | N107 M108 G127 G131 Y140 Q375 | N107-L129 WeakPolarHBondContact O-CB 3.45Å; M108-L129 VanDerWaalsContact CA-C 3.49Å; M108-L129 WeakPolarHBondContact CA-O 3.39Å; M108-L129 PolarHBondContact O-N 3.48Å; G127-L129 PolarHBondContact O-N 3.43Å; L129-G131 PolarHBondContact O-N 3.28Å; L129-Y140 VanDerWaalsContact O-CD1 3.24Å; L129-Y140 WeakPolarHBondContact O-CD1 3.37Å; L129-Q375 HydrophobicContact CD2-CG 4.47Å |
| 130 | W | 96.1 | Very high | 85.6 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | trans | -62.6 | 129.8 | 171.1 | 179.6 | 83.1 | 0 | 0 | 0 | 110.1 | I98 V101 N105 M108 G127 Q132 Y140 P141 G142 I143 | I98-W130 HydrophobicContact CB-CH2 4.42Å; I98-W130 HydrophobicContact CG1-CH2 4.03Å; I98-W130 HydrophobicContact CG1-CZ2 4.29Å; V101-W130 HydrophobicContact CG1-CH2 3.94Å; N105-W130 PolarHBondContact OD1-NE1 3.16Å; M108-W130 HydrophobicContact CB-CB 3.79Å; M108-W130 HydrophobicContact CB-CG 4.41Å; G127-W130 WeakPolarHBondContact O-CB 3.21Å; G127-W130 PolarHBondContact O-N 2.86Å; G127-W130 VanDerWaalsContact O-N 3.1Å; W130-Q132 HydrophobicContact CH2-CB 4.29Å; W130-Q132 HydrophobicContact CZ3-CB 4.14Å; W130-Y140 WeakPolarHBondContact O-CA 3.37Å; W130-P141 HydrophobicContact CE3-CG 4.01Å; W130-P141 HydrophobicContact CZ3-CG 3.8Å; W130-G142 PolarHBondContact O-N 3.36Å; W130-I143 HydrophobicContact CB-CB 3.78Å; W130-I143 HydrophobicContact CB-CG2 3.39Å; W130-I143 HydrophobicContact CD2-CB 3.91Å; W130-I143 HydrophobicContact CD2-CD1 3.99Å; W130-I143 HydrophobicContact CD2-CG2 4.26Å; W130-I143 HydrophobicContact CE3-CB 4.13Å; W130-I143 HydrophobicContact CE3-CD1 4.48Å; W130-I143 HydrophobicContact CG-CB 3.75Å; W130-I143 HydrophobicContact CG-CD1 4.24Å; W130-I143 HydrophobicContact CG-CG2 3.57Å; W130-I143 HydrophobicContact CZ2-CD1 4.28Å | ||
| 131 | G | 92.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 147.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | G103 V104 L129 F139 | G103-G131 CarbonylContact C-O 3.58Å; G103-G131 WeakPolarHBondContact CA-O 3.25Å; V104-G131 PolarHBondContact N-O 2.85Å; V104-G131 PolarHBondContact O-N 2.91Å; L129-G131 PolarHBondContact O-N 3.28Å; G131-F139 CarbonylContact C-O 3.54Å; G131-F139 WeakPolarHBondContact CA-O 3.26Å |
| 132 | Q | 90.9 | Very high | 88.4 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.4 | 163.3 | 169.7 | 177.1 | 9.8 | 0 | 0 | 107.7 | V101 W130 F139 P141 Q162 C164 | V101-Q132 HydrophobicContact CG1-CB 4.28Å; V101-Q132 HydrophobicContact CG1-CG 3.67Å; W130-Q132 HydrophobicContact CH2-CB 4.29Å; W130-Q132 HydrophobicContact CZ3-CB 4.14Å; Q132-F139 PolarHBondContact N-O 2.95Å; Q132-F139 PolarHBondContact O-N 3.43Å; Q132-P141 HydrophobicContact CB-CG 4.22Å; Q132-Q162 PolarHBondContact NE2-O 3.31Å; Q132-Q162 PolarHBondContact OE1-O 2.49Å; Q132-C164 PolarHBondContact NE2-SG 2.89Å |
| 133 | Q | 85.8 | Confident | 88.9 | Confident | 81 Ų | 81 | 28 Ų | 28 | 38% | 0.379 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123 | 174.2 | -171.2 | 174.3 | -2.4 | 0 | 0 | 110.2 | T102 V104 G135 Q137 | T102-Q133 HydrophobicContact CG2-CB 4.12Å; T102-Q133 PolarHBondContact O-N 2.9Å; V104-Q133 HydrophobicContact CG2-CB 3.9Å; Q133-G135 WeakPolarHBondContact CG-O 3.39Å; Q133-G135 PolarHBondContact NE2-O 3.38Å; Q133-Q137 WeakPolarHBondContact CA-O 3.37Å |
| 134 | C | 74.9 | Confident | 89.1 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 12% | 0.122 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 101.7 | 171.3 | -66.3 | 0 | 0 | 0 | 0 | 108.7 | D136 Q137 F139 C164 | C134-D136 PolarHBondContact O-N 2.91Å; C134-Q137 PolarHBondContact N-O 2.89Å; C134-Q137 PolarHBondContact O-N 3.18Å; C134-Q137 VanDerWaalsContact O-N 3.09Å; C134-F139 HydrophobicContact CB-CD2 4.16Å; C134-F139 HydrophobicContact CB-CE2 3.83Å; C134-F139 HydrophobicContact CB-CZ 4.46Å; C134-F139 VanDerWaalsContact SG-CD2 3.58Å; C134-C164 VanDerWaalsContact CA-SG 3.51Å; C134-C164 HydrophobicContact CB-CB 3.73Å; C134-C164 WeakPolarHBondContact CB-SG 3.42Å; C134-C164 VanDerWaalsContact SG-CA 3.57Å; C134-C164 WeakPolarHBondContact SG-CB 3.46Å; C134-C164 CovalentContact SG-SG 2.04Å; C134-C164 PolarHBondContact SG-SG 3.32Å |
| 135 | G | 69.6 | Low | 89.1 | Confident | 61 Ų | 61 | 27.4 Ų | 27.4 | 63% | 0.629 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | -122.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q133 | Q133-G135 WeakPolarHBondContact CG-O 3.39Å; Q133-G135 PolarHBondContact NE2-O 3.38Å |
| 136 | D | 66.3 | Low | 89 | Confident | 136 Ų | 136 | 29.4 Ų | 29.4 | 73% | 0.727 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0.2 | 175.8 | -68.8 | -27.6 | 0 | 0 | 0 | 113.7 | C134 F357 | C134-D136 PolarHBondContact O-N 2.91Å; D136-F357 HydrophobicContact CB-CZ 4.24Å |
| 137 | Q | 70.6 | Confident | 88.7 | Confident | 80 Ų | 80 | 29.5 Ų | 29.5 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 148.9 | 179.2 | -63.8 | -66 | -42.7 | 0 | 0 | 112 | Q133 C134 F139 F357 | Q133-Q137 WeakPolarHBondContact CA-O 3.37Å; C134-Q137 PolarHBondContact N-O 2.89Å; C134-Q137 PolarHBondContact O-N 3.18Å; C134-Q137 VanDerWaalsContact O-N 3.09Å; Q137-F139 HydrophobicContact CB-CE1 4.1Å; Q137-F357 HydrophobicContact CG-CE1 3.55Å; Q137-F357 HydrophobicContact CG-CZ 4.2Å |
| 138 | N | 84.8 | Confident | 88.4 | Confident | 60 Ų | 60 | 31.3 Ų | 31.3 | 32% | 0.321 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 114.2 | 172.6 | -64.7 | -30.8 | 0 | 0 | 0 | 108.8 | Y140 | N138-Y140 HydrophobicContact CB-CE2 4.06Å; N138-Y140 WeakPolarHBondContact O-CE2 3.41Å |
| 139 | F | 89.1 | Confident | 88 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 149 | 169.1 | -61.2 | -26.4 | 0 | 0 | 0 | 109.2 | G131 Q132 C134 Q137 P141 Q162 G361 E372 | G131-F139 CarbonylContact C-O 3.54Å; G131-F139 WeakPolarHBondContact CA-O 3.26Å; Q132-F139 PolarHBondContact N-O 2.95Å; Q132-F139 PolarHBondContact O-N 3.43Å; C134-F139 HydrophobicContact CB-CD2 4.16Å; C134-F139 HydrophobicContact CB-CE2 3.83Å; C134-F139 HydrophobicContact CB-CZ 4.46Å; C134-F139 VanDerWaalsContact SG-CD2 3.58Å; Q137-F139 HydrophobicContact CB-CE1 4.1Å; F139-P141 VanDerWaalsContact O-CD 3.23Å; F139-P141 WeakPolarHBondContact O-CD 3.14Å; F139-Q162 HydrophobicContact CD2-CB 3.86Å; F139-Q162 HydrophobicContact CD2-CG 3.87Å; F139-Q162 HydrophobicContact CE2-CB 4.31Å; F139-Q162 HydrophobicContact CG-CG 4.48Å; F139-G361 WeakPolarHBondContact CZ-O 3.13Å; F139-E372 CarbonylContact C-O 3.41Å; F139-E372 HydrophobicContact CB-CB 4.22Å; F139-E372 WeakPolarHBondContact CB-O 3.03Å; F139-E372 HydrophobicContact CD1-CB 3.68Å; F139-E372 HydrophobicContact CD1-CG 4.07Å; F139-E372 HydrophobicContact CD2-CB 4.32Å; F139-E372 HydrophobicContact CD2-CG 4.21Å; F139-E372 HydrophobicContact CE1-CB 4.09Å; F139-E372 HydrophobicContact CE1-CG 4.01Å; F139-E372 HydrophobicContact CE2-CG 4.15Å; F139-E372 HydrophobicContact CG-CB 3.82Å; F139-E372 HydrophobicContact CG-CG 4.18Å; F139-E372 HydrophobicContact CZ-CG 4.05Å |
| 140 | Y | 94.1 | Very high | 87.7 | Confident | 59 Ų | 59 | 33.3 Ų | 33.3 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | trans | -120.8 | 70.3 | -176.9 | -63.7 | -88 | 0 | 0 | 0 | 110.6 | L129 W130 N138 G142 E372 M373 Q375 | L129-Y140 VanDerWaalsContact O-CD1 3.24Å; L129-Y140 WeakPolarHBondContact O-CD1 3.37Å; W130-Y140 WeakPolarHBondContact O-CA 3.37Å; N138-Y140 HydrophobicContact CB-CE2 4.06Å; N138-Y140 WeakPolarHBondContact O-CE2 3.41Å; Y140-G142 PolarHBondContact O-N 2.64Å; Y140-E372 CarbonylContact C-O 3.55Å; Y140-E372 PolarHBondContact N-O 3.14Å; Y140-M373 HydrophobicContact CD2-CE 3.53Å; Y140-M373 HydrophobicContact CD2-SD 3.75Å; Y140-M373 HydrophobicContact CE2-CE 4.21Å; Y140-M373 HydrophobicContact CG-CE 4.36Å; Y140-M373 CarbonylContact O-C 3.59Å; Y140-Q375 WeakPolarHBondContact O-CA 3.24Å; Y140-Q375 PolarHBondContact O-N 3.11Å | ||
| 141 | P | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -73.4 | -13.4 | 179.5 | 32.6 | -37.4 | 0 | 0 | 0 | 113 | W130 Q132 F139 A160 V376 | W130-P141 HydrophobicContact CE3-CG 4.01Å; W130-P141 HydrophobicContact CZ3-CG 3.8Å; Q132-P141 HydrophobicContact CB-CG 4.22Å; F139-P141 VanDerWaalsContact O-CD 3.23Å; F139-P141 WeakPolarHBondContact O-CD 3.14Å; P141-A160 HydrophobicContact CB-CB 4.21Å; P141-A160 WeakPolarHBondContact CB-O 3.45Å; P141-V376 VanDerWaalsContact O-CB 3.3Å; P141-V376 WeakPolarHBondContact O-CB 3.38Å; P141-V376 WeakPolarHBondContact O-CG2 3.36Å; P141-V376 PolarHBondContact O-N 3.11Å | ||
| 142 | G | 95.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | 77.9 | 161.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W130 Y140 S158 | W130-G142 PolarHBondContact O-N 3.36Å; Y140-G142 PolarHBondContact O-N 2.64Å; G142-S158 WeakPolarHBondContact O-CB 3.45Å; G142-S158 PolarHBondContact O-OG 3.22Å | ||
| 143 | I | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 144.7 | 179.8 | -162.8 | 161.4 | 0 | 0 | 0 | 110.5 | V96 I98 C126 G127 W130 A156 | V96-I143 HydrophobicContact CG1-CD1 3.6Å; V96-I143 HydrophobicContact CG1-CG1 3.74Å; V96-I143 HydrophobicContact CG1-CG2 3.98Å; I98-I143 HydrophobicContact CD1-CD1 3.84Å; I98-I143 HydrophobicContact CD1-CG1 4.19Å; I98-I143 HydrophobicContact CG1-CD1 3.67Å; I98-I143 HydrophobicContact CG1-CG1 4.4Å; C126-I143 CarbonylContact C-O 3.27Å; C126-I143 VanDerWaalsContact CA-O 3.23Å; C126-I143 WeakPolarHBondContact CA-O 3.49Å; C126-I143 WeakPolarHBondContact CB-O 3.42Å; G127-I143 PolarHBondContact N-O 3.22Å; G127-I143 PolarHBondContact O-N 2.74Å; G127-I143 VanDerWaalsContact O-N 3.08Å; W130-I143 HydrophobicContact CB-CB 3.78Å; W130-I143 HydrophobicContact CB-CG2 3.39Å; W130-I143 HydrophobicContact CD2-CB 3.91Å; W130-I143 HydrophobicContact CD2-CD1 3.99Å; W130-I143 HydrophobicContact CD2-CG2 4.26Å; W130-I143 HydrophobicContact CE3-CB 4.13Å; W130-I143 HydrophobicContact CE3-CD1 4.48Å; W130-I143 HydrophobicContact CG-CB 3.75Å; W130-I143 HydrophobicContact CG-CD1 4.24Å; W130-I143 HydrophobicContact CG-CG2 3.57Å; W130-I143 HydrophobicContact CZ2-CD1 4.28Å; I143-A156 HydrophobicContact CD1-CB 4.06Å; I143-A156 HydrophobicContact CG1-CB 4.11Å |
| 144 | C | 95.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 154.2 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | L124 M125 C126 A156 F157 | L124-C144 HydrophobicContact CD1-CB 4.11Å; M125-C144 CarbonylContact O-C 3.46Å; M125-C144 VanDerWaalsContact O-CA 3.25Å; M125-C144 WeakPolarHBondContact O-CA 3.4Å; C126-C144 HydrophobicContact CB-CB 4.09Å; C126-C144 WeakPolarHBondContact CB-SG 3.36Å; C126-C144 WeakPolarHBondContact SG-CB 3.37Å; C126-C144 CovalentContact SG-SG 2.05Å; C126-C144 PolarHBondContact SG-SG 2.85Å; C144-A156 CarbonylContact O-C 3.52Å; C144-A156 VanDerWaalsContact O-CA 3.29Å; C144-A156 WeakPolarHBondContact O-CA 3.43Å; C144-F157 HydrophobicContact CB-CD2 4.43Å; C144-F157 HydrophobicContact CB-CE1 3.98Å; C144-F157 HydrophobicContact CB-CE2 3.74Å; C144-F157 HydrophobicContact CB-CZ 3.52Å; C144-F157 PolarHBondContact N-O 3.45Å; C144-F157 PolarHBondContact O-N 2.78Å |
| 145 | S | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 144.5 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 109.9 | M125 Q154 | M125-S145 WeakPolarHBondContact CG-O 3.29Å; M125-S145 PolarHBondContact N-O 3.32Å; M125-S145 PolarHBondContact O-N 3.07Å; S145-Q154 PolarHBondContact OG-O 2.8Å |
| 146 | K | 92.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135 | 174.4 | -64 | -180 | -178.4 | -177.4 | 0 | 109.4 | F123 L124 Q154 M389 | F123-K146 CarbonylContact O-C 3.48Å; F123-K146 WeakPolarHBondContact O-CA 3.4Å; L124-K146 HydrophobicContact CD1-CG 3.99Å; K146-Q154 HydrophobicContact CB-CB 4.18Å; K146-Q154 HydrophobicContact CB-CG 4.36Å; K146-Q154 VanDerWaalsContact O-CB 3.28Å; K146-Q154 WeakPolarHBondContact O-CB 3.31Å; K146-Q154 WeakPolarHBondContact O-CG 3.3Å; K146-Q154 PolarHBondContact O-N 3.48Å; K146-M389 WeakPolarHBondContact CE-SD 3.34Å |
| 147 | L | 92 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.3 | 167.8 | -60.3 | -179.3 | 0 | 0 | 0 | 109.4 | L62 L92 G122 F123 M125 Q152 P153 | L62-L147 HydrophobicContact CD1-CD1 4.46Å; L92-L147 HydrophobicContact CD1-CD1 4.31Å; L92-L147 HydrophobicContact CD1-CD2 4.02Å; G122-L147 VanDerWaalsContact CA-O 3.23Å; G122-L147 WeakPolarHBondContact CA-O 3.46Å; F123-L147 HydrophobicContact CB-CB 4.26Å; F123-L147 HydrophobicContact CB-CD1 4.44Å; F123-L147 PolarHBondContact N-O 2.96Å; F123-L147 PolarHBondContact O-N 3.24Å; M125-L147 HydrophobicContact CE-CD2 3.8Å; M125-L147 HydrophobicContact CG-CD2 4.49Å; M125-L147 HydrophobicContact CG-CG 4.34Å; M125-L147 HydrophobicContact SD-CD1 4.33Å; M125-L147 HydrophobicContact SD-CD2 3.94Å; M125-L147 HydrophobicContact SD-CG 4.27Å; L147-Q152 WeakPolarHBondContact CA-O 3.47Å; L147-P153 HydrophobicContact CD2-CB 4.16Å |
| 148 | N | 90.1 | Very high | 92.4 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 20% | 0.203 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 173.9 | 169.8 | 76.3 | 6.7 | 0 | 0 | 0 | 110.7 | L150 F151 Q152 | N148-L150 PolarHBondContact O-N 3.06Å; N148-L150 WeakPolarHBondContact OD1-CA 3.11Å; N148-L150 WeakPolarHBondContact OD1-CB 3.12Å; N148-L150 PolarHBondContact OD1-N 3.32Å; N148-F151 PolarHBondContact O-N 2.89Å; N148-F151 PolarHBondContact OD1-N 3.21Å; N148-F151 VanDerWaalsContact OD1-N 3.16Å; N148-Q152 PolarHBondContact N-O 3.38Å; N148-Q152 PolarHBondContact ND2-OE1 2.91Å; N148-Q152 VanDerWaalsContact ND2-OE1 3.1Å; N148-Q152 PolarHBondContact OD1-N 2.84Å |
| 149 | P | 88.3 | Confident | 92.7 | Very high | 46 Ų | 46 | 35 Ų | 35 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.6 | 179.4 | -23.3 | 33.5 | 0 | 0 | 0 | 116 | N55 H121 | N55-P149 WeakPolarHBondContact CB-O 3.15Å; N55-P149 PolarHBondContact ND2-O 3.35Å; H121-P149 HydrophobicContact CB-CB 4.29Å; H121-P149 HydrophobicContact CB-CG 3.88Å; H121-P149 WeakPolarHBondContact O-CA 3.45Å; H121-P149 VanDerWaalsContact O-CB 3.29Å; H121-P149 WeakPolarHBondContact O-CB 3.5Å; H121-P149 WeakPolarHBondContact O-CG 3.45Å |
| 150 | L | 89.8 | Confident | 92.8 | Very high | 56 Ų | 56 | 34.7 Ų | 34.7 | 29% | 0.293 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 10.1 | 174 | -71.6 | -179.6 | 0 | 0 | 0 | 113.1 | Y56 Q57 N148 Q152 | Y56-L150 HydrophobicContact CE1-CD2 3.94Å; Y56-L150 HydrophobicContact CE1-CG 4.21Å; Y56-L150 HydrophobicContact CE2-CD2 4.48Å; Y56-L150 VanDerWaalsContact OH-CD1 3.31Å; Y56-L150 WeakPolarHBondContact OH-CD1 3.41Å; Y56-L150 WeakPolarHBondContact OH-CD2 3.48Å; Y56-L150 WeakPolarHBondContact OH-CG 3.46Å; Q57-L150 VanDerWaalsContact CD-CD2 3.46Å; Q57-L150 HydrophobicContact CG-CD2 4.18Å; N148-L150 PolarHBondContact O-N 3.06Å; N148-L150 WeakPolarHBondContact OD1-CA 3.11Å; N148-L150 WeakPolarHBondContact OD1-CB 3.12Å; N148-L150 PolarHBondContact OD1-N 3.32Å; L150-Q152 HydrophobicContact CB-CG 4.41Å; L150-Q152 PolarHBondContact O-N 2.84Å |
| 151 | F | 91.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 62.5 | 26.8 | -179.1 | -41.7 | -49.5 | 0 | 0 | 0 | 114.4 | A53 W60 L62 K77 L90 F123 N148 | A53-F151 HydrophobicContact CB-CE1 3.84Å; A53-F151 HydrophobicContact CB-CZ 3.91Å; W60-F151 HydrophobicContact CB-CE2 4.02Å; W60-F151 HydrophobicContact CB-CZ 3.91Å; W60-F151 AromaticContact CD1-CE2 3.69Å; W60-F151 AromaticContact CD1-CZ 3.76Å; W60-F151 HydrophobicContact CD2-CE2 4.11Å; W60-F151 AromaticContact CG-CE2 3.65Å; W60-F151 HydrophobicContact CG-CE2 3.65Å; W60-F151 AromaticContact CG-CZ 3.87Å; W60-F151 HydrophobicContact CG-CZ 3.87Å; L62-F151 HydrophobicContact CD1-CD1 3.81Å; L62-F151 HydrophobicContact CD1-CE1 3.79Å; L62-F151 HydrophobicContact CD2-CD1 3.82Å; L62-F151 HydrophobicContact CD2-CD2 4.24Å; L62-F151 HydrophobicContact CD2-CE1 3.87Å; L62-F151 HydrophobicContact CD2-CE2 4.27Å; L62-F151 HydrophobicContact CD2-CG 4.01Å; L62-F151 HydrophobicContact CD2-CZ 4.09Å; L62-F151 HydrophobicContact CG-CD1 4.28Å; L62-F151 HydrophobicContact CG-CE1 4.05Å; L62-F151 HydrophobicContact CG-CZ 4.47Å; K77-F151 HydrophobicContact CB-CD2 4.37Å; K77-F151 HydrophobicContact CB-CE2 4.46Å; K77-F151 HydrophobicContact CD-CD2 4.08Å; K77-F151 HydrophobicContact CD-CE2 4.47Å; L90-F151 HydrophobicContact CD1-CB 3.96Å; L90-F151 HydrophobicContact CD2-CB 4.34Å; F123-F151 HydrophobicContact CD2-CE1 4.43Å; F123-F151 HydrophobicContact CE2-CE1 4.25Å; N148-F151 PolarHBondContact O-N 2.89Å; N148-F151 PolarHBondContact OD1-N 3.21Å; N148-F151 VanDerWaalsContact OD1-N 3.16Å |
| 152 | Q | 91.9 | Very high | 92 | Very high | 111 Ų | 111 | 36.4 Ų | 36.4 | 52% | 0.519 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -90.2 | 136.4 | 171.4 | -58.5 | 171.5 | -27.6 | 0 | 0 | 110 | L147 N148 L150 | L147-Q152 WeakPolarHBondContact CA-O 3.47Å; N148-Q152 PolarHBondContact N-O 3.38Å; N148-Q152 PolarHBondContact ND2-OE1 2.91Å; N148-Q152 VanDerWaalsContact ND2-OE1 3.1Å; N148-Q152 PolarHBondContact OD1-N 2.84Å; L150-Q152 HydrophobicContact CB-CG 4.41Å; L150-Q152 PolarHBondContact O-N 2.84Å |
| 153 | P | 92.6 | Very high | 90.9 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -72.9 | 135.1 | 180 | 30.3 | -33.1 | 0 | 0 | 0 | 111.6 | L92 M125 L147 | L92-P153 HydrophobicContact CD2-CB 4.5Å; L92-P153 HydrophobicContact CD2-CG 4.03Å; M125-P153 HydrophobicContact CE-CB 3.92Å; L147-P153 HydrophobicContact CD2-CB 4.16Å |
| 154 | Q | 91.8 | Very high | 89.4 | Confident | 94 Ų | 94 | 48.2 Ų | 48.2 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 167.1 | 165.6 | -65.9 | -165.1 | -19.2 | 0 | 0 | 109.9 | S145 K146 A156 | S145-Q154 PolarHBondContact OG-O 2.8Å; K146-Q154 HydrophobicContact CB-CB 4.18Å; K146-Q154 HydrophobicContact CB-CG 4.36Å; K146-Q154 VanDerWaalsContact O-CB 3.28Å; K146-Q154 WeakPolarHBondContact O-CB 3.31Å; K146-Q154 WeakPolarHBondContact O-CG 3.3Å; K146-Q154 PolarHBondContact O-N 3.48Å; Q154-A156 PolarHBondContact O-N 2.79Å |
| 155 | P | 92.7 | Very high | 87.6 | Confident | 118 Ų | 118 | 52.7 Ų | 52.7 | 77% | 0.766 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -48 | 126.4 | 177.6 | -30.5 | 37.1 | 0 | 0 | 0 | 112.1 | ||
| 156 | A | 94.1 | Very high | 86 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 152 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V96 I98 I143 C144 Q154 | V96-A156 HydrophobicContact CB-CB 4.42Å; V96-A156 HydrophobicContact CG1-CB 3.54Å; I98-A156 HydrophobicContact CD1-CB 4.12Å; I143-A156 HydrophobicContact CD1-CB 4.06Å; I143-A156 HydrophobicContact CG1-CB 4.11Å; C144-A156 CarbonylContact O-C 3.52Å; C144-A156 VanDerWaalsContact O-CA 3.29Å; C144-A156 WeakPolarHBondContact O-CA 3.43Å; Q154-A156 PolarHBondContact O-N 2.79Å |
| 157 | F | 93.8 | Very high | 85.1 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -139.7 | 149.7 | 176.6 | 65.2 | -91 | 0 | 0 | 0 | 110.1 | L124 C144 P159 M389 L391 | L124-F157 HydrophobicContact CD1-CE1 4.06Å; L124-F157 HydrophobicContact CD1-CZ 3.89Å; C144-F157 HydrophobicContact CB-CD2 4.43Å; C144-F157 HydrophobicContact CB-CE1 3.98Å; C144-F157 HydrophobicContact CB-CE2 3.74Å; C144-F157 HydrophobicContact CB-CZ 3.52Å; C144-F157 PolarHBondContact N-O 3.45Å; C144-F157 PolarHBondContact O-N 2.78Å; F157-P159 HydrophobicContact CD2-CG 4.01Å; F157-P159 HydrophobicContact CE2-CG 4.26Å; F157-M389 HydrophobicContact CZ-CE 4.35Å; F157-L391 HydrophobicContact CE2-CD1 3.85Å; F157-L391 HydrophobicContact CZ-CD1 4.45Å |
| 158 | S | 94.6 | Very high | 84.7 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | trans | -139.4 | 103.1 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 108 | G142 A160 I161 | G142-S158 WeakPolarHBondContact O-CB 3.45Å; G142-S158 PolarHBondContact O-OG 3.22Å; S158-A160 PolarHBondContact O-N 2.85Å; S158-I161 WeakPolarHBondContact O-CD1 3.26Å; S158-I161 WeakPolarHBondContact O-CG1 3.39Å; S158-I161 PolarHBondContact O-N 2.83Å | ||
| 159 | P | 92.6 | Very high | 84.8 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 22% | 0.221 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.5 | -173.6 | -25.8 | 37.4 | 0 | 0 | 0 | 114.3 | F157 V376 L391 V404 A411 | F157-P159 HydrophobicContact CD2-CG 4.01Å; F157-P159 HydrophobicContact CE2-CG 4.26Å; P159-V376 HydrophobicContact CG-CG1 4.22Å; P159-L391 HydrophobicContact CG-CD1 4.26Å; P159-V404 HydrophobicContact CB-CG1 4.04Å; P159-V404 HydrophobicContact CG-CG1 4.27Å; P159-A411 HydrophobicContact CB-CB 3.69Å; P159-A411 HydrophobicContact CG-CB 4.22Å |
| 160 | A | 90.9 | Very high | 85.1 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 27.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P141 S158 Q162 M371 S374 V376 I413 | P141-A160 HydrophobicContact CB-CB 4.21Å; P141-A160 WeakPolarHBondContact CB-O 3.45Å; S158-A160 PolarHBondContact O-N 2.85Å; A160-Q162 PolarHBondContact O-N 3.03Å; A160-Q162 PolarHBondContact O-NE2 2.82Å; A160-M371 HydrophobicContact CB-CE 3.59Å; A160-S374 VanDerWaalsContact CB-OG 3.26Å; A160-S374 WeakPolarHBondContact CB-OG 3.17Å; A160-V376 HydrophobicContact CB-CG2 3.57Å; A160-I413 HydrophobicContact CB-CD1 4.27Å |
| 161 | I | 89.3 | Confident | 85.4 | Confident | 60 Ų | 60 | 47 Ų | 47 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | trans | -53.7 | 128.7 | 169.6 | -75.2 | 158.8 | 0 | 0 | 0 | 108.8 | I98 V101 S158 | I98-I161 HydrophobicContact CB-CD1 4.43Å; I98-I161 HydrophobicContact CG1-CD1 4.21Å; I98-I161 HydrophobicContact CG2-CD1 3.54Å; V101-I161 HydrophobicContact CG2-CG2 4.28Å; S158-I161 WeakPolarHBondContact O-CD1 3.26Å; S158-I161 WeakPolarHBondContact O-CG1 3.39Å; S158-I161 PolarHBondContact O-N 2.83Å | ||
| 162 | Q | 81.6 | Confident | 85.6 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | trans | -80.8 | 139.3 | 174.7 | -59.2 | -52 | -53.5 | 0 | 0 | 108.3 | Q132 F139 A160 C164 M371 E372 | Q132-Q162 PolarHBondContact NE2-O 3.31Å; Q132-Q162 PolarHBondContact OE1-O 2.49Å; F139-Q162 HydrophobicContact CD2-CB 3.86Å; F139-Q162 HydrophobicContact CD2-CG 3.87Å; F139-Q162 HydrophobicContact CE2-CB 4.31Å; F139-Q162 HydrophobicContact CG-CG 4.48Å; A160-Q162 PolarHBondContact O-N 3.03Å; A160-Q162 PolarHBondContact O-NE2 2.82Å; Q162-C164 PolarHBondContact O-N 2.94Å; Q162-C164 VanDerWaalsContact O-N 3.14Å; Q162-M371 VanDerWaalsContact NE2-C 3.33Å; Q162-M371 PolarHBondContact NE2-O 2.92Å; Q162-E372 HydrophobicContact CG-CB 4.36Å; Q162-E372 HydrophobicContact CG-CG 4.11Å | ||
| 163 | K | 72.8 | Confident | 85.9 | Confident | 179 Ų | 179 | 41.2 Ų | 41.2 | 78% | 0.778 | 24% | 0.236 | S | C | * | . | trans | -69.1 | 115 | 160.9 | -67.2 | -178 | -179.3 | 178.1 | 0 | 105.1 | T165 | K163-T165 HydrophobicContact CB-CG2 3.98Å; K163-T165 PolarHBondContact O-N 3.08Å; K163-T165 PolarHBondContact O-OG1 3.24Å | ||
| 164 | C | 64.1 | Low | 86 | Confident | 71 Ų | 71 | 39 Ų | 39 | 48% | 0.48 | 22% | 0.222 | S | C | . | . | trans | -65.4 | 86.9 | 166.9 | -58.2 | 0 | 0 | 0 | 0 | 106.6 | Q132 C134 Q162 | Q132-C164 PolarHBondContact NE2-SG 2.89Å; C134-C164 VanDerWaalsContact CA-SG 3.51Å; C134-C164 HydrophobicContact CB-CB 3.73Å; C134-C164 WeakPolarHBondContact CB-SG 3.42Å; C134-C164 VanDerWaalsContact SG-CA 3.57Å; C134-C164 WeakPolarHBondContact SG-CB 3.46Å; C134-C164 CovalentContact SG-SG 2.04Å; C134-C164 PolarHBondContact SG-SG 3.32Å; Q162-C164 PolarHBondContact O-N 2.94Å; Q162-C164 VanDerWaalsContact O-N 3.14Å | ||
| 165 | T | 58.1 | Low | 86.1 | Confident | 96 Ų | 96 | 34.5 Ų | 34.5 | 59% | 0.589 | 20% | 0.201 | S | C | * | . | trans | -126.5 | 133.1 | 176.2 | 45.2 | 0 | 0 | 0 | 0 | 106.6 | K163 | K163-T165 HydrophobicContact CB-CG2 3.98Å; K163-T165 PolarHBondContact O-N 3.08Å; K163-T165 PolarHBondContact O-OG1 3.24Å | ||
| 166 | G | 60.6 | Low | 86.1 | Confident | 34 Ų | 34 | 28.9 Ų | 28.9 | 35% | 0.351 | 16% | 0.164 | S | C | . | . | cis | 174.9 | -174.3 | 12.6 | 0 | 0 | 0 | 0 | 0 | 114 | M168 | G166-M168 PolarHBondContact O-N 3.47Š| ||
| 167 | L | 74.3 | Confident | 86 | Confident | 29 Ų | 29 | 28.1 Ų | 28.1 | 15% | 0.152 | 16% | 0.158 | C | C | . | . | trans | -31.9 | 122.7 | 170.5 | -57.1 | 170.7 | 0 | 0 | 0 | 109.7 | Q202 S203 E268 A269 A270 | L167-Q202 VanDerWaalsContact CD2-O 3.27Å; L167-Q202 WeakPolarHBondContact CD2-O 3.46Å; L167-S203 WeakPolarHBondContact CA-O 3.47Å; L167-E268 HydrophobicContact CD1-CG 3.59Å; L167-E268 WeakPolarHBondContact CD1-OE1 3.35Å; L167-A269 HydrophobicContact CB-CB 3.82Å; L167-A269 CarbonylContact O-C 3.4Å; L167-A269 WeakPolarHBondContact O-CA 3.14Å; L167-A269 WeakPolarHBondContact O-CB 3.25Å; L167-A270 PolarHBondContact O-N 2.62Å | ||
| 168 | M | 83.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.9 | 179.7 | -178 | 168 | 46.7 | 0 | 0 | 109.2 | G166 I170 S203 T204 Q205 R266 A270 V272 I356 E360 | G166-M168 PolarHBondContact O-N 3.47Å; M168-I170 HydrophobicContact CE-CD1 4.05Å; M168-I170 HydrophobicContact CG-CD1 4.47Å; M168-I170 HydrophobicContact CG-CG1 3.94Å; M168-I170 HydrophobicContact SD-CD1 4.3Å; M168-I170 HydrophobicContact SD-CG1 4.27Å; M168-S203 PolarHBondContact N-O 3.25Å; M168-T204 HydrophobicContact CB-CG2 4.47Å; M168-T204 HydrophobicContact CE-CG2 4.16Å; M168-T204 VanDerWaalsContact CE-OG1 3.32Å; M168-T204 WeakPolarHBondContact CE-OG1 3.26Å; M168-T204 CarbonylContact O-C 3.39Å; M168-T204 VanDerWaalsContact O-CA 3.32Å; M168-T204 WeakPolarHBondContact O-CA 3.27Å; M168-Q205 PolarHBondContact O-N 3.09Å; M168-R266 VanDerWaalsContact C-NH2 3.28Å; M168-R266 VanDerWaalsContact N-NH2 3.18Å; M168-R266 PolarHBondContact O-NH2 2.84Å; M168-A270 HydrophobicContact CG-CB 4.42Å; M168-V272 HydrophobicContact CG-CG2 4.27Å; M168-V272 HydrophobicContact SD-CG2 3.99Å; M168-I356 HydrophobicContact CE-CG2 3.83Å; M168-I356 HydrophobicContact SD-CG2 3.72Å; M168-E360 HydrophobicContact CE-CB 4.1Å; M168-E360 HydrophobicContact CE-CG 4.28Å |
| 169 | D | 91.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.8 | 176.2 | -69 | -9.5 | 0 | 0 | 0 | 108 | L221 F259 G265 R266 A269 A270 V272 | D169-L221 HydrophobicContact CB-CD1 3.86Å; D169-L221 HydrophobicContact CB-CD2 3.92Å; D169-F259 HydrophobicContact CB-CD1 4.02Å; D169-F259 HydrophobicContact CB-CE1 3.92Å; D169-F259 WeakPolarHBondContact O-CE1 3.21Å; D169-G265 WeakPolarHBondContact OD2-CA 3.35Å; D169-R266 IonicContact OD1-CZ 3.17Å; D169-R266 IonicContact OD1-NE 2.86Å; D169-R266 PolarHBondContact OD1-NE 3Å; D169-R266 IonicContact OD1-NH2 2.68Å; D169-R266 PolarHBondContact OD1-NH2 3.5Å; D169-R266 PolarHBondContact OD2-N 3.49Å; D169-A269 HydrophobicContact CB-CB 4.43Å; D169-A270 PolarHBondContact N-O 2.82Å; D169-V272 PolarHBondContact O-N 3.25Å |
| 170 | I | 93.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.6 | 179.4 | -54.6 | 176.7 | 0 | 0 | 0 | 109.2 | M168 I172 L197 T204 Q205 M206 S207 V272 V274 I356 | M168-I170 HydrophobicContact CE-CD1 4.05Å; M168-I170 HydrophobicContact CG-CD1 4.47Å; M168-I170 HydrophobicContact CG-CG1 3.94Å; M168-I170 HydrophobicContact SD-CD1 4.3Å; M168-I170 HydrophobicContact SD-CG1 4.27Å; I170-I172 HydrophobicContact CG2-CD1 3.66Å; I170-I172 HydrophobicContact CG2-CG1 4.46Å; I170-L197 HydrophobicContact CD1-CD1 3.71Å; I170-L197 HydrophobicContact CD1-CD2 4.03Å; I170-L197 HydrophobicContact CD1-CG 4.5Å; I170-T204 HydrophobicContact CD1-CG2 3.57Å; I170-T204 HydrophobicContact CG1-CG2 3.95Å; I170-Q205 PolarHBondContact N-O 3.17Å; I170-M206 HydrophobicContact CB-CE 4.23Å; I170-M206 HydrophobicContact CB-CG 4.39Å; I170-M206 HydrophobicContact CD1-CE 4.26Å; I170-M206 HydrophobicContact CG2-CE 3.99Å; I170-M206 CarbonylContact O-C 3.59Å; I170-M206 WeakPolarHBondContact O-CA 3.38Å; I170-S207 PolarHBondContact O-N 3.36Å; I170-V272 CarbonylContact C-O 3.59Å; I170-V272 VanDerWaalsContact CA-O 3.3Å; I170-V272 WeakPolarHBondContact CA-O 3.35Å; I170-V272 HydrophobicContact CG1-CB 4.28Å; I170-V274 HydrophobicContact CG2-CG2 4.48Å; I170-I356 HydrophobicContact CD1-CG2 3.75Å |
| 171 | V | 96.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.1 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 109 | V173 S207 I209 L221 A254 A258 F259 V272 M273 V274 | V171-V173 HydrophobicContact CG1-CG2 4.17Å; V171-S207 WeakPolarHBondContact CA-O 3.48Å; V171-I209 HydrophobicContact CG1-CD1 3.77Å; V171-I209 HydrophobicContact CG1-CG1 4.28Å; V171-L221 HydrophobicContact CG2-CD2 4.4Å; V171-A254 HydrophobicContact CG1-CB 3.99Å; V171-A258 HydrophobicContact CB-CB 4.44Å; V171-A258 HydrophobicContact CG1-CB 3.77Å; V171-A258 HydrophobicContact CG2-CB 3.76Å; V171-F259 HydrophobicContact CB-CE1 4.36Å; V171-F259 HydrophobicContact CB-CE2 3.99Å; V171-F259 HydrophobicContact CB-CZ 3.76Å; V171-F259 HydrophobicContact CG2-CD1 3.94Å; V171-F259 HydrophobicContact CG2-CD2 4.07Å; V171-F259 HydrophobicContact CG2-CE1 3.5Å; V171-F259 VanDerWaalsContact CG2-CE1 3.5Å; V171-F259 HydrophobicContact CG2-CE2 3.65Å; V171-F259 HydrophobicContact CG2-CG 4.21Å; V171-F259 HydrophobicContact CG2-CZ 3.35Å; V171-V272 PolarHBondContact N-O 3.02Å; V171-M273 CarbonylContact O-C 3.53Å; V171-M273 VanDerWaalsContact O-CA 3.31Å; V171-M273 WeakPolarHBondContact O-CA 3.23Å; V171-V274 PolarHBondContact O-N 3.14Å |
| 172 | I | 96.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.4 | 173.9 | -46 | -61.3 | 0 | 0 | 0 | 108.8 | I170 L174 L190 L193 M206 S207 V208 I209 V274 | I170-I172 HydrophobicContact CG2-CD1 3.66Å; I170-I172 HydrophobicContact CG2-CG1 4.46Å; I172-L174 HydrophobicContact CG2-CD2 3.5Å; I172-L174 HydrophobicContact CG2-CG 3.81Å; I172-L190 HydrophobicContact CB-CD2 4.38Å; I172-L190 HydrophobicContact CG1-CD2 4.14Å; I172-L190 HydrophobicContact CG2-CD2 4.01Å; I172-L193 HydrophobicContact CD1-CD2 3.98Å; I172-M206 HydrophobicContact CD1-CE 4.2Å; I172-M206 HydrophobicContact CG1-CE 4.28Å; I172-M206 HydrophobicContact CG1-CG 4.28Å; I172-M206 HydrophobicContact CG1-SD 4.02Å; I172-S207 PolarHBondContact N-O 3.43Å; I172-V208 HydrophobicContact CB-CG2 4.2Å; I172-V208 HydrophobicContact CG1-CG2 4.27Å; I172-I209 PolarHBondContact O-N 3.2Å; I172-V274 HydrophobicContact CD1-CB 3.68Å; I172-V274 HydrophobicContact CD1-CG1 4.43Å; I172-V274 HydrophobicContact CD1-CG2 3.73Å |
| 173 | V | 96.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 102.2 | 178.5 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | V171 I209 Y211 A250 A254 M273 V274 V275 V276 | V171-V173 HydrophobicContact CG1-CG2 4.17Å; V173-I209 WeakPolarHBondContact CA-O 3.29Å; V173-Y211 HydrophobicContact CG1-CD1 3.66Å; V173-Y211 HydrophobicContact CG1-CE1 3.79Å; V173-A250 HydrophobicContact CG1-CB 3.8Å; V173-A254 HydrophobicContact CG2-CB 3.77Å; V173-M273 HydrophobicContact CG2-CG 3.88Å; V173-M273 HydrophobicContact CG2-SD 4.07Å; V173-V274 PolarHBondContact N-O 3.27Å; V173-V275 HydrophobicContact CB-CG2 4.32Å; V173-V275 WeakPolarHBondContact O-CA 3.43Å; V173-V276 PolarHBondContact O-N 3.16Å |
| 174 | L | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.4 | -175.4 | -61.8 | -178.7 | 0 | 0 | 0 | 111 | I172 G176 W183 M186 L190 V208 I209 Q210 Y211 V276 | I172-L174 HydrophobicContact CG2-CD2 3.5Å; I172-L174 HydrophobicContact CG2-CG 3.81Å; L174-G176 PolarHBondContact O-N 2.89Å; L174-W183 HydrophobicContact CB-CH2 4.48Å; L174-W183 HydrophobicContact CD1-CH2 4.45Å; L174-M186 HydrophobicContact CB-CE 4Å; L174-M186 HydrophobicContact CD2-CE 3.8Å; L174-M186 HydrophobicContact CG-CE 4.36Å; L174-L190 HydrophobicContact CD1-CD1 3.94Å; L174-L190 HydrophobicContact CD1-CD2 4.48Å; L174-L190 HydrophobicContact CD1-CG 4.35Å; L174-V208 HydrophobicContact CD1-CG1 3.98Å; L174-V208 HydrophobicContact CG-CG1 4.47Å; L174-I209 PolarHBondContact N-O 2.93Å; L174-Q210 HydrophobicContact CB-CG 4.3Å; L174-Q210 CarbonylContact O-C 3.52Å; L174-Q210 VanDerWaalsContact O-CA 3.28Å; L174-Q210 WeakPolarHBondContact O-CA 3.45Å; L174-Y211 WeakPolarHBondContact O-CD1 3.5Å; L174-Y211 PolarHBondContact O-N 3.01Å; L174-V276 HydrophobicContact CD2-CB 3.84Å; L174-V276 HydrophobicContact CD2-CG2 3.76Å |
| 175 | D | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 120.6 | 164.4 | -169.9 | -14.5 | 0 | 0 | 0 | 109.1 | S177 I180 W183 M186 Y211 T245 V276 T277 | D175-S177 WeakPolarHBondContact OD1-CB 3.33Å; D175-S177 PolarHBondContact OD1-N 3.48Å; D175-S177 PolarHBondContact OD1-OG 3.2Å; D175-S177 PolarHBondContact OD2-OG 3.18Å; D175-I180 HydrophobicContact CB-CD1 4.34Å; D175-I180 HydrophobicContact CB-CG1 4.11Å; D175-W183 WeakPolarHBondContact O-CZ3 3.37Å; D175-M186 WeakPolarHBondContact O-CE 3.31Å; D175-Y211 HydrophobicContact CB-CE1 3.98Å; D175-Y211 VanDerWaalsContact N-CE1 3.33Å; D175-T245 WeakPolarHBondContact OD2-CG2 3.21Å; D175-V276 WeakPolarHBondContact CB-O 3.32Å; D175-V276 PolarHBondContact N-O 3.45Å; D175-T277 PolarHBondContact OD2-OG1 2.89Å |
| 176 | G | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -117.2 | 16.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L174 Y211 Y241 | L174-G176 PolarHBondContact O-N 2.89Å; G176-Y211 WeakPolarHBondContact CA-O 3.46Å; G176-Y211 PolarHBondContact N-O 2.73Å; G176-Y241 WeakPolarHBondContact O-CA 3.46Å; G176-Y241 PolarHBondContact O-N 3.47Å | ||
| 177 | S | 91.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -66.8 | 173.1 | 175.5 | 70.9 | 0 | 0 | 0 | 0 | 112 | D175 S179 Q239 T245 | D175-S177 WeakPolarHBondContact OD1-CB 3.33Å; D175-S177 PolarHBondContact OD1-N 3.48Å; D175-S177 PolarHBondContact OD1-OG 3.2Å; D175-S177 PolarHBondContact OD2-OG 3.18Å; S177-S179 VanDerWaalsContact C-N 3.25Å; S177-S179 PolarHBondContact O-N 2.91Å; S177-S179 PolarHBondContact OG-OG 2.66Å; S177-Q239 PolarHBondContact O-NE2 3.21Å; S177-T245 PolarHBondContact OG-OG1 3.15Å |
| 178 | N | 89.4 | Confident | 91.8 | Very high | 88 Ų | 88 | 27.2 Ų | 27.2 | 47% | 0.471 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.2 | -177.4 | -68.1 | -13.9 | 0 | 0 | 0 | 114.2 | Y241 G242 | N178-Y241 WeakPolarHBondContact OD1-CA 3.13Å; N178-Y241 WeakPolarHBondContact OD1-CB 3.24Å; N178-Y241 WeakPolarHBondContact OD1-CD1 3.35Å; N178-G242 WeakPolarHBondContact CB-O 3.44Å; N178-G242 PolarHBondContact N-O 3.42Å; N178-G242 PolarHBondContact ND2-O 3.48Å; N178-G242 PolarHBondContact OD1-N 3.37Å; N178-G242 PolarHBondContact OD1-O 2.9Å |
| 179 | S | 85.9 | Confident | 92.2 | Very high | 27 Ų | 27 | 27.1 Ų | 27.1 | 19% | 0.189 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -35.5 | 177.6 | 48 | 0 | 0 | 0 | 0 | 112 | S177 Y181 D278 | S177-S179 VanDerWaalsContact C-N 3.25Å; S177-S179 PolarHBondContact O-N 2.91Å; S177-S179 PolarHBondContact OG-OG 2.66Å; S179-Y181 PolarHBondContact O-N 2.8Å; S179-D278 WeakPolarHBondContact CB-OD1 3.18Å; S179-D278 WeakPolarHBondContact CB-OD2 3.38Å; S179-D278 PolarHBondContact OG-OD1 3.46Å |
| 180 | I | 88.8 | Confident | 92.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -66.4 | 101.4 | 176.1 | -61.6 | -77.3 | 0 | 0 | 0 | 109.4 | D175 W183 M186 Q239 D278 | D175-I180 HydrophobicContact CB-CD1 4.34Å; D175-I180 HydrophobicContact CB-CG1 4.11Å; I180-W183 HydrophobicContact CG2-CE3 3.77Å; I180-W183 HydrophobicContact CG2-CZ3 4.12Å; I180-M186 HydrophobicContact CD1-CE 4.48Å; I180-M186 HydrophobicContact CG2-CG 3.91Å; I180-Q239 PolarHBondContact O-NE2 3.43Å; I180-D278 WeakPolarHBondContact CA-OD2 3.45Å; I180-D278 HydrophobicContact CD1-CB 3.45Å; I180-D278 VanDerWaalsContact CD1-CB 3.45Å; I180-D278 WeakPolarHBondContact CD1-OD1 3.32Å; I180-D278 HydrophobicContact CG1-CB 4.42Å; I180-D278 WeakPolarHBondContact CG1-OD1 3.35Å; I180-D278 PolarHBondContact N-OD2 2.81Å |
| 181 | Y | 84.4 | Confident | 92.4 | Very high | 168 Ų | 168 | 30 Ų | 30 | 66% | 0.659 | 16% | 0.155 | S | C | * | . | trans | -149 | 127.3 | 176.8 | -175.5 | -93.8 | 0 | 0 | 0 | 111.5 | S179 R312 | S179-Y181 PolarHBondContact O-N 2.8Å; Y181-R312 PolarHBondContact O-NH2 3.09Å | ||
| 182 | P | 89.8 | Confident | 92 | Very high | 60 Ų | 60 | 35 Ų | 35 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | S | Bend | cis | -82.6 | 153.3 | 1.4 | 35.2 | -36.7 | 0 | 0 | 0 | 113 | P185 | P182-P185 HydrophobicContact CG-CG 4.48Å; P182-P185 VanDerWaalsContact O-CD 3.25Å; P182-P185 WeakPolarHBondContact O-CD 3.36Å |
| 183 | W | 92.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 35 Ų | 35 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -69 | -38.2 | -179.9 | -179.8 | -105.9 | 0 | 0 | 0 | 117.3 | L174 D175 I180 P185 M186 T187 Q210 I237 Q239 | L174-W183 HydrophobicContact CB-CH2 4.48Å; L174-W183 HydrophobicContact CD1-CH2 4.45Å; D175-W183 WeakPolarHBondContact O-CZ3 3.37Å; I180-W183 HydrophobicContact CG2-CE3 3.77Å; I180-W183 HydrophobicContact CG2-CZ3 4.12Å; W183-P185 VanDerWaalsContact C-N 3.3Å; W183-P185 WeakPolarHBondContact O-CD 3.3Å; W183-M186 HydrophobicContact CD2-CB 4.18Å; W183-M186 HydrophobicContact CE3-CB 4.06Å; W183-M186 HydrophobicContact CE3-CG 3.96Å; W183-M186 HydrophobicContact CH2-CB 4.05Å; W183-M186 HydrophobicContact CH2-CG 4.39Å; W183-M186 HydrophobicContact CZ2-CB 4.18Å; W183-M186 HydrophobicContact CZ3-CB 3.99Å; W183-M186 HydrophobicContact CZ3-CE 4.25Å; W183-M186 HydrophobicContact CZ3-CG 3.89Å; W183-M186 WeakPolarHBondContact O-CB 3.49Å; W183-M186 PolarHBondContact O-N 3.39Å; W183-T187 PolarHBondContact NE1-OG1 3.37Å; W183-Q210 HydrophobicContact CH2-CG 4.18Å; W183-I237 HydrophobicContact CZ2-CG2 4.01Å; W183-I237 PolarHBondContact NE1-O 3.18Å; W183-Q239 HydrophobicContact CB-CB 4.01Å; W183-Q239 HydrophobicContact CD2-CB 3.65Å; W183-Q239 HydrophobicContact CD2-CG 4.12Å; W183-Q239 HydrophobicContact CE3-CB 3.88Å; W183-Q239 HydrophobicContact CE3-CG 3.8Å; W183-Q239 HydrophobicContact CG-CB 3.7Å; W183-Q239 HydrophobicContact CG-CG 4.45Å; W183-Q239 HydrophobicContact CZ3-CG 4.39Å |
| 184 | P | 93.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 35 Ų | 35 | 50% | 0.5 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -48.2 | -37.5 | -172.5 | -30 | 36 | 0 | 0 | 0 | 116.6 | M186 T187 E188 | P184-M186 VanDerWaalsContact C-N 3.27Å; P184-M186 PolarHBondContact O-N 3.22Å; P184-T187 WeakPolarHBondContact O-CB 3.49Å; P184-T187 PolarHBondContact O-N 3.45Å; P184-E188 PolarHBondContact O-N 2.77Å |
| 185 | P | 92.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -29.3 | 175.7 | -23.8 | 34.7 | 0 | 0 | 0 | 115.3 | P182 W183 T187 E188 F189 E342 | P182-P185 HydrophobicContact CG-CG 4.48Å; P182-P185 VanDerWaalsContact O-CD 3.25Å; P182-P185 WeakPolarHBondContact O-CD 3.36Å; W183-P185 VanDerWaalsContact C-N 3.3Å; W183-P185 WeakPolarHBondContact O-CD 3.3Å; P185-T187 VanDerWaalsContact C-N 3.33Å; P185-E188 PolarHBondContact O-N 2.87Å; P185-F189 WeakPolarHBondContact O-CB 3.38Å; P185-F189 PolarHBondContact O-N 3.15Å; P185-E342 VanDerWaalsContact CB-C 3.43Å; P185-E342 HydrophobicContact CB-CB 3.96Å; P185-E342 WeakPolarHBondContact CB-O 3.5Å; P185-E342 HydrophobicContact CG-CB 3.96Å |
| 186 | M | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 173.6 | -67.5 | -69.6 | -89.5 | 0 | 0 | 111.2 | L174 D175 I180 W183 P184 L190 V276 L345 | L174-M186 HydrophobicContact CB-CE 4Å; L174-M186 HydrophobicContact CD2-CE 3.8Å; L174-M186 HydrophobicContact CG-CE 4.36Å; D175-M186 WeakPolarHBondContact O-CE 3.31Å; I180-M186 HydrophobicContact CD1-CE 4.48Å; I180-M186 HydrophobicContact CG2-CG 3.91Å; W183-M186 HydrophobicContact CD2-CB 4.18Å; W183-M186 HydrophobicContact CE3-CB 4.06Å; W183-M186 HydrophobicContact CE3-CG 3.96Å; W183-M186 HydrophobicContact CH2-CB 4.05Å; W183-M186 HydrophobicContact CH2-CG 4.39Å; W183-M186 HydrophobicContact CZ2-CB 4.18Å; W183-M186 HydrophobicContact CZ3-CB 3.99Å; W183-M186 HydrophobicContact CZ3-CE 4.25Å; W183-M186 HydrophobicContact CZ3-CG 3.89Å; W183-M186 WeakPolarHBondContact O-CB 3.49Å; W183-M186 PolarHBondContact O-N 3.39Å; P184-M186 VanDerWaalsContact C-N 3.27Å; P184-M186 PolarHBondContact O-N 3.22Å; M186-L190 PolarHBondContact O-N 2.82Å; M186-V276 HydrophobicContact CE-CB 4.15Å; M186-V276 HydrophobicContact CE-CG1 3.81Å; M186-V276 HydrophobicContact SD-CG1 3.87Å; M186-L345 HydrophobicContact SD-CD1 3.63Å |
| 187 | T | 92.6 | Very high | 89.9 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -43.1 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | W183 P184 P185 F189 L190 L191 I237 | W183-T187 PolarHBondContact NE1-OG1 3.37Å; P184-T187 WeakPolarHBondContact O-CB 3.49Å; P184-T187 PolarHBondContact O-N 3.45Å; P185-T187 VanDerWaalsContact C-N 3.33Å; T187-F189 VanDerWaalsContact C-N 3.3Å; T187-F189 PolarHBondContact O-N 2.98Å; T187-L190 PolarHBondContact O-N 3.43Å; T187-L191 HydrophobicContact CG2-CD1 4.23Å; T187-L191 WeakPolarHBondContact O-CG 3.33Å; T187-L191 PolarHBondContact O-N 2.95Å; T187-I237 PolarHBondContact OG1-O 3.49Å |
| 188 | E | 92.2 | Very high | 89.3 | Confident | 96 Ų | 96 | 44 Ų | 44 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -35.9 | 176.5 | -72.6 | -175 | -174.5 | 0 | 0 | 113.1 | P184 P185 L191 K192 | P184-E188 PolarHBondContact O-N 2.77Å; P185-E188 PolarHBondContact O-N 2.87Å; E188-L191 PolarHBondContact O-N 3.44Å; E188-K192 PolarHBondContact O-N 3.31Å |
| 189 | F | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.8 | -48.9 | 173.1 | 166.4 | -104.4 | 0 | 0 | 0 | 111.7 | P185 T187 L191 K192 L193 V274 V276 I304 L345 I348 A349 L352 | P185-F189 WeakPolarHBondContact O-CB 3.38Å; P185-F189 PolarHBondContact O-N 3.15Å; T187-F189 VanDerWaalsContact C-N 3.3Å; T187-F189 PolarHBondContact O-N 2.98Å; F189-L191 PolarHBondContact O-N 2.92Å; F189-K192 PolarHBondContact O-N 3.42Å; F189-L193 HydrophobicContact CE1-CD2 4.25Å; F189-L193 HydrophobicContact CZ-CD2 4.04Å; F189-L193 WeakPolarHBondContact O-CB 3.48Å; F189-L193 PolarHBondContact O-N 3.15Å; F189-V274 HydrophobicContact CZ-CG1 4.45Å; F189-V276 HydrophobicContact CE1-CG2 4.18Å; F189-I304 HydrophobicContact CE2-CD1 4.25Å; F189-I304 HydrophobicContact CZ-CD1 3.93Å; F189-L345 HydrophobicContact CB-CB 4.18Å; F189-L345 WeakPolarHBondContact CD2-O 3.44Å; F189-I348 HydrophobicContact CE2-CG1 4.45Å; F189-A349 HydrophobicContact CD2-CB 3.88Å; F189-A349 HydrophobicContact CE2-CB 4.13Å; F189-L352 HydrophobicContact CE2-CD2 3.89Å; F189-L352 HydrophobicContact CZ-CD2 3.54Å |
| 190 | L | 94.1 | Very high | 89 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 175.5 | -65.7 | 178.7 | 0 | 0 | 0 | 111.7 | I172 L174 M186 T187 K192 L193 I194 V208 A234 I237 | I172-L190 HydrophobicContact CB-CD2 4.38Å; I172-L190 HydrophobicContact CG1-CD2 4.14Å; I172-L190 HydrophobicContact CG2-CD2 4.01Å; L174-L190 HydrophobicContact CD1-CD1 3.94Å; L174-L190 HydrophobicContact CD1-CD2 4.48Å; L174-L190 HydrophobicContact CD1-CG 4.35Å; M186-L190 PolarHBondContact O-N 2.82Å; T187-L190 PolarHBondContact O-N 3.43Å; L190-K192 PolarHBondContact O-N 2.83Å; L190-L193 PolarHBondContact O-N 3.37Å; L190-I194 HydrophobicContact CB-CD1 4.44Å; L190-I194 WeakPolarHBondContact O-CD1 3.29Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.39Å; L190-V208 HydrophobicContact CD1-CG1 4.23Å; L190-V208 HydrophobicContact CD1-CG2 4.35Å; L190-V208 HydrophobicContact CD2-CG2 4.33Å; L190-A234 HydrophobicContact CB-CB 4.34Å; L190-A234 HydrophobicContact CD1-CB 4.45Å; L190-I237 HydrophobicContact CD1-CD1 3.85Å |
| 191 | L | 93.5 | Very high | 88.7 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.9 | -23.6 | -179.2 | -66.3 | 177.3 | 0 | 0 | 0 | 113.4 | T187 E188 F189 P195 L231 A234 | T187-L191 HydrophobicContact CG2-CD1 4.23Å; T187-L191 WeakPolarHBondContact O-CG 3.33Å; T187-L191 PolarHBondContact O-N 2.95Å; E188-L191 PolarHBondContact O-N 3.44Å; F189-L191 PolarHBondContact O-N 2.92Å; L191-P195 WeakPolarHBondContact O-CD 3.11Å; L191-P195 WeakPolarHBondContact O-CG 3.35Å; L191-L231 HydrophobicContact CD2-CD2 3.94Å; L191-A234 HydrophobicContact CD2-CB 4.23Å |
| 192 | K | 90.4 | Very high | 88.5 | Confident | 105 Ų | 105 | 42.4 Ų | 42.4 | 46% | 0.457 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -91 | -26.6 | 172 | -72.5 | -173.8 | -173.7 | 173.8 | 0 | 113.5 | E188 F189 L190 S346 A349 | E188-K192 PolarHBondContact O-N 3.31Å; F189-K192 PolarHBondContact O-N 3.42Å; L190-K192 PolarHBondContact O-N 2.83Å; K192-S346 WeakPolarHBondContact CD-O 3.49Å; K192-S346 PolarHBondContact NZ-OG 2.69Å; K192-A349 HydrophobicContact CB-CB 3.71Å |
| 193 | L | 90.4 | Very high | 88 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.9 | -48.8 | 178.1 | -178 | 64.1 | 0 | 0 | 0 | 111.9 | I172 F189 L190 P195 S196 L197 M206 A349 L352 | I172-L193 HydrophobicContact CD1-CD2 3.98Å; F189-L193 HydrophobicContact CE1-CD2 4.25Å; F189-L193 HydrophobicContact CZ-CD2 4.04Å; F189-L193 WeakPolarHBondContact O-CB 3.48Å; F189-L193 PolarHBondContact O-N 3.15Å; L190-L193 PolarHBondContact O-N 3.37Å; L193-P195 VanDerWaalsContact C-CD 3.48Å; L193-P195 VanDerWaalsContact C-N 3.35Å; L193-S196 WeakPolarHBondContact O-CB 3.27Å; L193-S196 PolarHBondContact O-N 3.14Å; L193-S196 PolarHBondContact O-OG 3.11Å; L193-L197 HydrophobicContact CG-CD1 4.31Å; L193-M206 HydrophobicContact CD2-CE 4.3Å; L193-A349 HydrophobicContact CB-CB 4.29Å; L193-L352 HydrophobicContact CD1-CD2 4.21Å; L193-L352 HydrophobicContact CD1-CG 4.38Å; L193-L352 HydrophobicContact CD2-CD2 4.26Å |
| 194 | I | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -54.5 | -41.4 | -176.3 | -67.5 | 160.9 | 0 | 0 | 0 | 113.1 | L190 S196 L197 I199 M206 R227 M230 L231 A234 | L190-I194 HydrophobicContact CB-CD1 4.44Å; L190-I194 WeakPolarHBondContact O-CD1 3.29Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.37Å; L190-I194 PolarHBondContact O-N 3.39Å; I194-S196 PolarHBondContact O-N 3.27Å; I194-L197 PolarHBondContact O-N 2.77Å; I194-I199 HydrophobicContact CG2-CG1 4.23Å; I194-M206 HydrophobicContact CG1-SD 4.02Å; I194-R227 HydrophobicContact CG2-CG 4Å; I194-M230 HydrophobicContact CD1-CG 4.06Å; I194-M230 HydrophobicContact CD1-SD 4.37Å; I194-M230 HydrophobicContact CG1-SD 4.24Å; I194-M230 HydrophobicContact CG2-CG 4.48Å; I194-M230 HydrophobicContact CG2-SD 4.2Å; I194-L231 HydrophobicContact CB-CD2 3.8Å; I194-L231 HydrophobicContact CB-CG 4.41Å; I194-L231 HydrophobicContact CD1-CD2 4.21Å; I194-L231 HydrophobicContact CG2-CD2 3.77Å; I194-L231 HydrophobicContact CG2-CG 3.81Å; I194-A234 HydrophobicContact CD1-CB 3.64Å |
| 195 | P | 87.8 | Confident | 87.7 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 43% | 0.429 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -64.8 | -20.9 | 177.1 | -24 | 35.9 | 0 | 0 | 0 | 114.9 | L191 L193 L197 L231 | L191-P195 WeakPolarHBondContact O-CD 3.11Å; L191-P195 WeakPolarHBondContact O-CG 3.35Å; L193-P195 VanDerWaalsContact C-CD 3.48Å; L193-P195 VanDerWaalsContact C-N 3.35Å; P195-L197 VanDerWaalsContact C-N 3.26Å; P195-L197 PolarHBondContact O-N 2.76Å; P195-L231 HydrophobicContact CG-CD2 4.15Å |
| 196 | S | 80.2 | Confident | 87.8 | Confident | 45 Ų | 45 | 35.9 Ų | 35.9 | 32% | 0.315 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -82.4 | -1.3 | 177.5 | 71 | 0 | 0 | 0 | 0 | 114 | L193 I194 G353 | L193-S196 WeakPolarHBondContact O-CB 3.27Å; L193-S196 PolarHBondContact O-N 3.14Å; L193-S196 PolarHBondContact O-OG 3.11Å; I194-S196 PolarHBondContact O-N 3.27Å; S196-G353 WeakPolarHBondContact OG-CA 3.39Å |
| 197 | L | 81.6 | Confident | 88 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -116.1 | 148.7 | -175.9 | -58.4 | 170.4 | 0 | 0 | 0 | 111.2 | I170 L193 I194 P195 I199 M206 R227 I356 | I170-L197 HydrophobicContact CD1-CD1 3.71Å; I170-L197 HydrophobicContact CD1-CD2 4.03Å; I170-L197 HydrophobicContact CD1-CG 4.5Å; L193-L197 HydrophobicContact CG-CD1 4.31Å; I194-L197 PolarHBondContact O-N 2.77Å; P195-L197 VanDerWaalsContact C-N 3.26Å; P195-L197 PolarHBondContact O-N 2.76Å; L197-I199 HydrophobicContact CB-CD1 3.92Å; L197-I199 HydrophobicContact CB-CG1 4.4Å; L197-I199 HydrophobicContact CD1-CD1 4.41Å; L197-I199 PolarHBondContact O-N 3.24Å; L197-M206 HydrophobicContact CD1-CE 3.28Å; L197-R227 PolarHBondContact O-NE 2.99Å; L197-R227 PolarHBondContact O-NH2 2.93Å; L197-I356 HydrophobicContact CD2-CG2 4.16Å |
| 198 | D | 78.4 | Confident | 88.2 | Confident | 76 Ų | 76 | 35.1 Ų | 35.1 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | trans | -87.3 | 87.9 | 171.8 | -172.7 | 41.2 | 0 | 0 | 0 | 111.2 | G200 S203 T204 R227 | D198-G200 PolarHBondContact O-N 2.04Å; D198-S203 WeakPolarHBondContact O-CB 3.14Å; D198-S203 PolarHBondContact O-OG 3.48Å; D198-S203 WeakPolarHBondContact OD2-CB 3.19Å; D198-S203 PolarHBondContact OD2-OG 2.89Å; D198-T204 WeakPolarHBondContact O-CB 3.33Å; D198-T204 PolarHBondContact O-N 2.87Å; D198-R227 IonicContact OD1-NH2 2.74Å | ||
| 199 | I | 85.4 | Confident | 88.4 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -80 | 117.1 | -175.2 | -58.1 | -59.1 | 0 | 0 | 0 | 111 | I194 L197 T204 R227 M230 | I194-I199 HydrophobicContact CG2-CG1 4.23Å; L197-I199 HydrophobicContact CB-CD1 3.92Å; L197-I199 HydrophobicContact CB-CG1 4.4Å; L197-I199 HydrophobicContact CD1-CD1 4.41Å; L197-I199 PolarHBondContact O-N 3.24Å; I199-T204 WeakPolarHBondContact CA-O 3.24Å; I199-T204 HydrophobicContact CD1-CG2 4.1Å; I199-R227 HydrophobicContact CB-CB 4.22Å; I199-R227 HydrophobicContact CG1-CG 4.49Å; I199-M230 HydrophobicContact CD1-CE 4.23Å; I199-M230 HydrophobicContact CD1-SD 3.88Å; I199-M230 HydrophobicContact CG1-SD 4.09Å; I199-M230 HydrophobicContact CG2-CE 3.57Å; I199-M230 HydrophobicContact CG2-SD 4.09Å |
| 200 | G | 83.7 | Confident | 88.5 | Confident | 9 Ų | 9 | 30.6 Ų | 30.6 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -174.6 | 160.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D198 Q202 S203 T204 | D198-G200 PolarHBondContact O-N 2.04Å; G200-Q202 PolarHBondContact O-N 3.1Å; G200-S203 PolarHBondContact N-OG 2.75Å; G200-S203 CarbonylContact O-C 3.55Å; G200-S203 PolarHBondContact O-N 3.23Å; G200-S203 VanDerWaalsContact O-N 3.11Å; G200-T204 PolarHBondContact N-O 2.96Å |
| 201 | P | 83.5 | Confident | 88.6 | Confident | 59 Ų | 59 | 30.5 Ų | 30.5 | 38% | 0.383 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.4 | 179.9 | -23.4 | 34.3 | 0 | 0 | 0 | 114 | T225 R266 | P201-T225 HydrophobicContact CG-CG2 3.86Å; P201-R266 PolarHBondContact O-NH1 3.17Å |
| 202 | Q | 79.8 | Confident | 88.5 | Confident | 169 Ų | 169 | 27.8 Ų | 27.8 | 79% | 0.79 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 6.3 | 179.2 | -60 | -61.8 | -30.3 | 0 | 0 | 113 | L167 G200 | L167-Q202 VanDerWaalsContact CD2-O 3.27Å; L167-Q202 WeakPolarHBondContact CD2-O 3.46Å; G200-Q202 PolarHBondContact O-N 3.1Å |
| 203 | S | 79.6 | Confident | 88.5 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 12% | 0.119 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -136.7 | -118.3 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | L167 M168 D198 G200 R266 | L167-S203 WeakPolarHBondContact CA-O 3.47Å; M168-S203 PolarHBondContact N-O 3.25Å; D198-S203 WeakPolarHBondContact O-CB 3.14Å; D198-S203 PolarHBondContact O-OG 3.48Å; D198-S203 WeakPolarHBondContact OD2-CB 3.19Å; D198-S203 PolarHBondContact OD2-OG 2.89Å; G200-S203 PolarHBondContact N-OG 2.75Å; G200-S203 CarbonylContact O-C 3.55Å; G200-S203 PolarHBondContact O-N 3.23Å; G200-S203 VanDerWaalsContact O-N 3.11Å; S203-R266 PolarHBondContact O-NH1 3.43Å; S203-R266 PolarHBondContact O-NH2 3Å |
| 204 | T | 87.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.7 | -177.1 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | M168 I170 D198 I199 G200 | M168-T204 HydrophobicContact CB-CG2 4.47Å; M168-T204 HydrophobicContact CE-CG2 4.16Å; M168-T204 VanDerWaalsContact CE-OG1 3.32Å; M168-T204 WeakPolarHBondContact CE-OG1 3.26Å; M168-T204 CarbonylContact O-C 3.39Å; M168-T204 VanDerWaalsContact O-CA 3.32Å; M168-T204 WeakPolarHBondContact O-CA 3.27Å; I170-T204 HydrophobicContact CD1-CG2 3.57Å; I170-T204 HydrophobicContact CG1-CG2 3.95Å; D198-T204 WeakPolarHBondContact O-CB 3.33Å; D198-T204 PolarHBondContact O-N 2.87Å; I199-T204 WeakPolarHBondContact CA-O 3.24Å; I199-T204 HydrophobicContact CD1-CG2 4.1Å; G200-T204 PolarHBondContact N-O 2.96Å |
| 205 | Q | 92 | Very high | 88.5 | Confident | 19 Ų | 19 | 33 Ų | 33 | 9% | 0.089 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145 | 167.1 | -70.2 | -174.7 | 11.4 | 0 | 0 | 109.6 | M168 I170 L221 G264 | M168-Q205 PolarHBondContact O-N 3.09Å; I170-Q205 PolarHBondContact N-O 3.17Å; Q205-L221 HydrophobicContact CB-CB 4.08Å; Q205-L221 HydrophobicContact CB-CD2 4.15Å; Q205-G264 PolarHBondContact OE1-O 3.33Å; Q205-G264 VanDerWaalsContact OE1-O 3.11Å |
| 206 | M | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.5 | -178.7 | -177.5 | -178.3 | -78.2 | 0 | 0 | 111.9 | I170 I172 L193 I194 L197 F219 M230 | I170-M206 HydrophobicContact CB-CE 4.23Å; I170-M206 HydrophobicContact CB-CG 4.39Å; I170-M206 HydrophobicContact CD1-CE 4.26Å; I170-M206 HydrophobicContact CG2-CE 3.99Å; I170-M206 CarbonylContact O-C 3.59Å; I170-M206 WeakPolarHBondContact O-CA 3.38Å; I172-M206 HydrophobicContact CD1-CE 4.2Å; I172-M206 HydrophobicContact CG1-CE 4.28Å; I172-M206 HydrophobicContact CG1-CG 4.28Å; I172-M206 HydrophobicContact CG1-SD 4.02Å; L193-M206 HydrophobicContact CD2-CE 4.3Å; I194-M206 HydrophobicContact CG1-SD 4.02Å; L197-M206 HydrophobicContact CD1-CE 3.28Å; M206-F219 WeakPolarHBondContact O-CE2 3.37Å; M206-M230 HydrophobicContact CB-CE 3.76Å; M206-M230 HydrophobicContact CB-SD 3.81Å; M206-M230 HydrophobicContact CG-SD 4.43Å; M206-M230 HydrophobicContact SD-SD 4.19Å |
| 207 | S | 95.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.9 | 173.1 | 175.7 | 0 | 0 | 0 | 0 | 109 | I170 V171 I172 F219 | I170-S207 PolarHBondContact O-N 3.36Å; V171-S207 WeakPolarHBondContact CA-O 3.48Å; I172-S207 PolarHBondContact N-O 3.43Å; S207-F219 WeakPolarHBondContact CA-O 3.48Å; S207-F219 PolarHBondContact OG-O 3.2Å |
| 208 | V | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130 | 176.3 | 179 | 0 | 0 | 0 | 0 | 109.1 | I172 L174 L190 E218 F219 I237 | I172-V208 HydrophobicContact CB-CG2 4.2Å; I172-V208 HydrophobicContact CG1-CG2 4.27Å; L174-V208 HydrophobicContact CD1-CG1 3.98Å; L174-V208 HydrophobicContact CG-CG1 4.47Å; L190-V208 HydrophobicContact CD1-CG1 4.23Å; L190-V208 HydrophobicContact CD1-CG2 4.35Å; L190-V208 HydrophobicContact CD2-CG2 4.33Å; V208-E218 HydrophobicContact CB-CB 4.29Å; V208-E218 HydrophobicContact CG1-CB 4.36Å; V208-E218 HydrophobicContact CG1-CG 4.31Å; V208-E218 PolarHBondContact O-N 3.2Å; V208-F219 HydrophobicContact CB-CE1 4.06Å; V208-F219 HydrophobicContact CB-CE2 4.37Å; V208-F219 HydrophobicContact CB-CZ 3.97Å; V208-F219 HydrophobicContact CG2-CE1 3.86Å; V208-F219 HydrophobicContact CG2-CE2 3.86Å; V208-F219 HydrophobicContact CG2-CZ 3.35Å; V208-F219 PolarHBondContact N-O 3.37Å; V208-I237 HydrophobicContact CB-CD1 4.34Å; V208-I237 HydrophobicContact CG1-CD1 3.92Å |
| 209 | I | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.6 | -179.7 | -57.8 | 177.8 | 0 | 0 | 0 | 107.8 | V171 I172 V173 L174 Q215 K216 V217 F253 A254 A258 | V171-I209 HydrophobicContact CG1-CD1 3.77Å; V171-I209 HydrophobicContact CG1-CG1 4.28Å; I172-I209 PolarHBondContact O-N 3.2Å; V173-I209 WeakPolarHBondContact CA-O 3.29Å; L174-I209 PolarHBondContact N-O 2.93Å; I209-Q215 HydrophobicContact CG2-CB 4.29Å; I209-K216 CarbonylContact C-O 3.57Å; I209-K216 WeakPolarHBondContact CA-O 3.13Å; I209-V217 HydrophobicContact CG1-CG2 4.31Å; I209-F253 HydrophobicContact CD1-CD1 4.09Å; I209-F253 HydrophobicContact CD1-CE1 4.09Å; I209-F253 HydrophobicContact CG2-CD1 4.48Å; I209-A254 HydrophobicContact CD1-CB 4.12Å; I209-A258 HydrophobicContact CD1-CB 3.58Å |
| 210 | Q | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 146.1 | 166.6 | -76.9 | -168.6 | 72.6 | 0 | 0 | 110.5 | L174 W183 Q215 K216 E218 G238 K240 | L174-Q210 HydrophobicContact CB-CG 4.3Å; L174-Q210 CarbonylContact O-C 3.52Å; L174-Q210 VanDerWaalsContact O-CA 3.28Å; L174-Q210 WeakPolarHBondContact O-CA 3.45Å; W183-Q210 HydrophobicContact CH2-CG 4.18Å; Q210-Q215 CarbonylContact O-C 3.59Å; Q210-K216 PolarHBondContact N-O 3.19Å; Q210-K216 PolarHBondContact O-N 3.02Å; Q210-E218 HydrophobicContact CG-CG 4.27Å; Q210-E218 PolarHBondContact NE2-OE1 3.09Å; Q210-G238 PolarHBondContact NE2-O 2.81Å; Q210-G238 PolarHBondContact OE1-O 3.35Å; Q210-K240 HydrophobicContact CB-CB 4.29Å; Q210-K240 HydrophobicContact CB-CD 4.4Å; Q210-K240 VanDerWaalsContact OE1-N 3.11Å |
| 211 | Y | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.6 | 173.6 | 75.7 | -82.7 | 0 | 0 | 0 | 112.7 | V173 L174 D175 G176 N214 T245 N246 T247 A250 T277 | V173-Y211 HydrophobicContact CG1-CD1 3.66Å; V173-Y211 HydrophobicContact CG1-CE1 3.79Å; L174-Y211 WeakPolarHBondContact O-CD1 3.5Å; L174-Y211 PolarHBondContact O-N 3.01Å; D175-Y211 HydrophobicContact CB-CE1 3.98Å; D175-Y211 VanDerWaalsContact N-CE1 3.33Å; G176-Y211 WeakPolarHBondContact CA-O 3.46Å; G176-Y211 PolarHBondContact N-O 2.73Å; Y211-N214 WeakPolarHBondContact CA-O 3.17Å; Y211-T245 HydrophobicContact CE2-CG2 3.8Å; Y211-N246 WeakPolarHBondContact CD2-O 3.39Å; Y211-T247 VanDerWaalsContact CE2-CA 3.42Å; Y211-T247 WeakPolarHBondContact OH-CB 3.28Å; Y211-T247 WeakPolarHBondContact OH-CG2 3.29Å; Y211-T247 PolarHBondContact OH-OG1 2.93Å; Y211-A250 HydrophobicContact CD1-CB 3.67Å; Y211-A250 HydrophobicContact CD2-CB 3.82Å; Y211-A250 HydrophobicContact CE1-CB 4.28Å; Y211-A250 HydrophobicContact CE2-CB 4.42Å; Y211-A250 HydrophobicContact CG-CB 3.41Å; Y211-A250 VanDerWaalsContact CG-CB 3.41Å; Y211-T277 WeakPolarHBondContact OH-CB 3.49Å |
| 212 | S | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -151.2 | -107.5 | 167.6 | 56.6 | 0 | 0 | 0 | 0 | 107 | N214 K240 Y241 S244 N246 | S212-N214 VanDerWaalsContact C-N 3.28Å; S212-N214 PolarHBondContact N-O 2.94Å; S212-N214 PolarHBondContact O-N 3.04Å; S212-K240 VanDerWaalsContact OG-CE 3.27Å; S212-K240 WeakPolarHBondContact OG-CE 3.33Å; S212-Y241 PolarHBondContact OG-O 3.28Å; S212-S244 CarbonylContact C-O 3.52Å; S212-S244 VanDerWaalsContact CA-O 3.24Å; S212-S244 WeakPolarHBondContact CA-O 3.16Å; S212-N246 WeakPolarHBondContact O-CB 3.2Å; S212-N246 PolarHBondContact O-N 3.05Å |
| 213 | D | 89.4 | Confident | 93 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 35% | 0.348 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -66.9 | -32.8 | 169.2 | -48.4 | -70.6 | 0 | 0 | 0 | 110.9 | G242 T243 S244 N246 | D213-G242 WeakPolarHBondContact OD2-CA 3.22Å; D213-T243 PolarHBondContact OD1-N 3.17Å; D213-T243 PolarHBondContact OD1-OG1 3.36Å; D213-T243 VanDerWaalsContact OD1-OG1 3.07Å; D213-T243 PolarHBondContact OD2-N 3.13Å; D213-S244 PolarHBondContact N-O 3.37Å; D213-S244 VanDerWaalsContact OD1-CB 3.29Å; D213-S244 WeakPolarHBondContact OD1-CB 3.35Å; D213-S244 PolarHBondContact OD1-N 2.75Å; D213-S244 PolarHBondContact OD1-OG 3.26Å; D213-N246 PolarHBondContact O-ND2 2.78Å |
| 214 | N | 88.9 | Confident | 93.6 | Very high | 93 Ų | 93 | 38.7 Ų | 38.7 | 50% | 0.497 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -142.6 | 167.8 | 177 | 61.2 | 22.9 | 0 | 0 | 0 | 112.5 | Y211 S212 K240 | Y211-N214 WeakPolarHBondContact CA-O 3.17Å; S212-N214 VanDerWaalsContact C-N 3.28Å; S212-N214 PolarHBondContact N-O 2.94Å; S212-N214 PolarHBondContact O-N 3.04Å; N214-K240 WeakPolarHBondContact O-CE 3.07Å; N214-K240 PolarHBondContact O-NZ 3.01Å; N214-K240 WeakPolarHBondContact OD1-CE 3.46Å; N214-K240 PolarHBondContact OD1-NZ 3.42Å |
| 215 | Q | 93.1 | Very high | 93.6 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 145.6 | -176.1 | -55.9 | 75 | 20.3 | 0 | 0 | 112.1 | I209 Q210 A250 F253 | I209-Q215 HydrophobicContact CG2-CB 4.29Å; Q210-Q215 CarbonylContact O-C 3.59Å; Q215-A250 HydrophobicContact CG-CB 4.1Å; Q215-F253 HydrophobicContact CB-CD1 3.97Å; Q215-F253 HydrophobicContact CB-CE1 4.31Å; Q215-F253 HydrophobicContact CB-CG 4.15Å; Q215-F253 HydrophobicContact CG-CB 3.94Å; Q215-F253 HydrophobicContact CG-CD1 4.15Å; Q215-F253 HydrophobicContact CG-CG 4.01Å |
| 216 | K | 94.1 | Very high | 93.3 | Very high | 90 Ų | 90 | 44.1 Ų | 44.1 | 39% | 0.391 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.3 | 172.8 | 178.3 | -175.6 | 173.9 | -137.1 | 0 | 109.3 | I209 Q210 E218 K240 | I209-K216 CarbonylContact C-O 3.57Å; I209-K216 WeakPolarHBondContact CA-O 3.13Å; Q210-K216 PolarHBondContact N-O 3.19Å; Q210-K216 PolarHBondContact O-N 3.02Å; K216-E218 WeakPolarHBondContact CD-OE1 2.96Å; K216-E218 WeakPolarHBondContact CE-OE1 3.26Å; K216-E218 IonicContact NZ-OE1 2.74Å; K216-E218 PolarHBondContact NZ-OE1 2.73Å; K216-E218 IonicContact NZ-OE2 2.94Å; K216-E218 PolarHBondContact NZ-OE2 3.23Å; K216-K240 HydrophobicContact CB-CD 4.36Å |
| 217 | V | 94.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.7 | 171.8 | -178 | 0 | 0 | 0 | 0 | 108.5 | I209 K220 F253 | I209-V217 HydrophobicContact CG1-CG2 4.31Å; V217-K220 HydrophobicContact CG1-CG 4.12Å; V217-F253 HydrophobicContact CG2-CE1 3.68Å; V217-F253 HydrophobicContact CG2-CZ 3.96Å |
| 218 | E | 95.3 | Very high | 92.8 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -42 | 175 | -63.4 | -59.9 | 158.9 | 0 | 0 | 110.9 | V208 Q210 K216 I237 | V208-E218 HydrophobicContact CB-CB 4.29Å; V208-E218 HydrophobicContact CG1-CB 4.36Å; V208-E218 HydrophobicContact CG1-CG 4.31Å; V208-E218 PolarHBondContact O-N 3.2Å; Q210-E218 HydrophobicContact CG-CG 4.27Å; Q210-E218 PolarHBondContact NE2-OE1 3.09Å; K216-E218 WeakPolarHBondContact CD-OE1 2.96Å; K216-E218 WeakPolarHBondContact CE-OE1 3.26Å; K216-E218 IonicContact NZ-OE1 2.74Å; K216-E218 PolarHBondContact NZ-OE1 2.73Å; K216-E218 IonicContact NZ-OE2 2.94Å; K216-E218 PolarHBondContact NZ-OE2 3.23Å; E218-I237 HydrophobicContact CB-CD1 4.04Å; E218-I237 HydrophobicContact CB-CG1 4.32Å; E218-I237 HydrophobicContact CG-CD1 4.12Å; E218-I237 HydrophobicContact CG-CG1 4.24Å; E218-I237 HydrophobicContact CG-CG2 4.03Å |
| 219 | F | 95.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 154.7 | 167.4 | 53.1 | -98.6 | 0 | 0 | 0 | 111.4 | M206 S207 V208 R223 Y224 M230 A233 I237 | M206-F219 WeakPolarHBondContact O-CE2 3.37Å; S207-F219 WeakPolarHBondContact CA-O 3.48Å; S207-F219 PolarHBondContact OG-O 3.2Å; V208-F219 HydrophobicContact CB-CE1 4.06Å; V208-F219 HydrophobicContact CB-CE2 4.37Å; V208-F219 HydrophobicContact CB-CZ 3.97Å; V208-F219 HydrophobicContact CG2-CE1 3.86Å; V208-F219 HydrophobicContact CG2-CE2 3.86Å; V208-F219 HydrophobicContact CG2-CZ 3.35Å; V208-F219 PolarHBondContact N-O 3.37Å; F219-R223 HydrophobicContact CB-CB 4.28Å; F219-R223 HydrophobicContact CB-CG 4.2Å; F219-Y224 HydrophobicContact CB-CD2 4.44Å; F219-Y224 HydrophobicContact CB-CE2 3.74Å; F219-Y224 AromaticContact CD1-CE2 3.93Å; F219-Y224 HydrophobicContact CD1-CE2 3.93Å; F219-Y224 HydrophobicContact CD2-CD2 4.07Å; F219-Y224 HydrophobicContact CD2-CE2 4.03Å; F219-Y224 HydrophobicContact CE1-CE2 4.5Å; F219-Y224 HydrophobicContact CE2-CD2 4.47Å; F219-Y224 HydrophobicContact CG-CD2 4.17Å; F219-Y224 AromaticContact CG-CE2 3.65Å; F219-Y224 HydrophobicContact CG-CE2 3.65Å; F219-M230 HydrophobicContact CE2-CE 4.48Å; F219-M230 HydrophobicContact CE2-CG 4.21Å; F219-M230 HydrophobicContact CZ-CG 4.05Å; F219-A233 HydrophobicContact CD1-CB 4.35Å; F219-A233 HydrophobicContact CE1-CB 4.37Å; F219-I237 HydrophobicContact CE1-CD1 4.03Å |
| 220 | K | 95.6 | Very high | 92.5 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | trans | -89.1 | 163.1 | -177.7 | -56.5 | 179.9 | 178.2 | -160.9 | 0 | 111.9 | V217 N222 R223 N263 | V217-K220 HydrophobicContact CG1-CG 4.12Å; K220-N222 PolarHBondContact O-N 3.47Å; K220-R223 WeakPolarHBondContact O-CB 2.88Å; K220-R223 PolarHBondContact O-N 3.38Å; K220-R223 VanDerWaalsContact O-N 3.1Å; K220-N263 HydrophobicContact CD-CB 4.28Å; K220-N263 VanDerWaalsContact CD-OD1 3.32Å; K220-N263 WeakPolarHBondContact CD-OD1 3.47Å; K220-N263 WeakPolarHBondContact CE-OD1 3.3Å; K220-N263 PolarHBondContact NZ-OD1 2.7Å | ||
| 221 | L | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -54.9 | -46.3 | -177.2 | -71.7 | 167.9 | 0 | 0 | 0 | 112.8 | D169 V171 Q205 R223 A258 F259 N263 | D169-L221 HydrophobicContact CB-CD1 3.86Å; D169-L221 HydrophobicContact CB-CD2 3.92Å; V171-L221 HydrophobicContact CG2-CD2 4.4Å; Q205-L221 HydrophobicContact CB-CB 4.08Å; Q205-L221 HydrophobicContact CB-CD2 4.15Å; L221-R223 VanDerWaalsContact C-N 3.3Å; L221-R223 PolarHBondContact O-N 3.06Å; L221-A258 VanDerWaalsContact CD1-O 3.31Å; L221-A258 WeakPolarHBondContact CD1-O 3.23Å; L221-F259 HydrophobicContact CD1-CD1 4.44Å; L221-N263 PolarHBondContact N-O 3.02Å |
| 222 | N | 91.4 | Very high | 92.3 | Very high | 89 Ų | 89 | 63 Ų | 63 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -86.8 | 9.8 | -177.4 | 65.5 | -9.6 | 0 | 0 | 0 | 114.4 | K220 | K220-N222 PolarHBondContact O-N 3.47Š|
| 223 | R | 93.9 | Very high | 92.3 | Very high | 147 Ų | 147 | 63.7 Ų | 63.7 | 56% | 0.555 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -73.9 | -36 | -171.7 | -178.5 | 60.7 | -174.9 | 98.3 | -5.5 | 113.6 | F219 K220 L221 | F219-R223 HydrophobicContact CB-CB 4.28Å; F219-R223 HydrophobicContact CB-CG 4.2Å; K220-R223 WeakPolarHBondContact O-CB 2.88Å; K220-R223 PolarHBondContact O-N 3.38Å; K220-R223 VanDerWaalsContact O-N 3.1Å; L221-R223 VanDerWaalsContact C-N 3.3Å; L221-R223 PolarHBondContact O-N 3.06Å |
| 224 | Y | 92.5 | Very high | 92.5 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | trans | -124.4 | 137 | -175.4 | -60.4 | -63 | 0 | 0 | 0 | 110.1 | F219 Q229 M230 A233 | F219-Y224 HydrophobicContact CB-CD2 4.44Å; F219-Y224 HydrophobicContact CB-CE2 3.74Å; F219-Y224 AromaticContact CD1-CE2 3.93Å; F219-Y224 HydrophobicContact CD1-CE2 3.93Å; F219-Y224 HydrophobicContact CD2-CD2 4.07Å; F219-Y224 HydrophobicContact CD2-CE2 4.03Å; F219-Y224 HydrophobicContact CE1-CE2 4.5Å; F219-Y224 HydrophobicContact CE2-CD2 4.47Å; F219-Y224 HydrophobicContact CG-CD2 4.17Å; F219-Y224 AromaticContact CG-CE2 3.65Å; F219-Y224 HydrophobicContact CG-CE2 3.65Å; Y224-Q229 HydrophobicContact CD1-CB 3.77Å; Y224-Q229 HydrophobicContact CE1-CB 4.47Å; Y224-Q229 HydrophobicContact CG-CB 4.34Å; Y224-M230 HydrophobicContact CD2-CB 4.36Å; Y224-M230 HydrophobicContact CD2-CG 4.43Å; Y224-M230 HydrophobicContact CG-CB 4.48Å; Y224-A233 HydrophobicContact CD2-CB 4.37Å; Y224-A233 HydrophobicContact CE1-CB 4.24Å; Y224-A233 HydrophobicContact CE2-CB 3.43Å; Y224-A233 VanDerWaalsContact CE2-CB 3.43Å; Y224-A233 WeakPolarHBondContact OH-CB 3.39Å | ||
| 225 | T | 85.8 | Confident | 92.8 | Very high | 82 Ų | 82 | 59 Ų | 59 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -106.5 | -7.5 | -175.1 | 56 | 0 | 0 | 0 | 0 | 113.4 | P201 | P201-T225 HydrophobicContact CG-CG2 3.86Š|
| 226 | D | 86.3 | Confident | 92.8 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -141.5 | 154.6 | 177.2 | 74.7 | 77 | 0 | 0 | 0 | 112.1 | S228 Q229 M230 | D226-S228 VanDerWaalsContact C-N 3.29Å; D226-S228 PolarHBondContact O-N 2.9Å; D226-S228 WeakPolarHBondContact OD1-CA 3.42Å; D226-S228 WeakPolarHBondContact OD1-CB 3.47Å; D226-S228 PolarHBondContact OD1-N 3.3Å; D226-S228 PolarHBondContact OD1-OG 3.1Å; D226-Q229 PolarHBondContact O-N 3.16Å; D226-Q229 PolarHBondContact OD1-N 3.36Å; D226-Q229 WeakPolarHBondContact OD2-CG 2.89Å; D226-Q229 PolarHBondContact OD2-NE2 3.03Å; D226-M230 PolarHBondContact O-N 2.84Å |
| 227 | R | 90.4 | Very high | 92.8 | Very high | 98 Ų | 98 | 59.5 Ų | 59.5 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.1 | -38 | -176.9 | -171.9 | -174.3 | -70.1 | 123.8 | 2.6 | 113.2 | I194 L197 D198 I199 M230 L231 | I194-R227 HydrophobicContact CG2-CG 4Å; L197-R227 PolarHBondContact O-NE 2.99Å; L197-R227 PolarHBondContact O-NH2 2.93Å; D198-R227 IonicContact OD1-NH2 2.74Å; I199-R227 HydrophobicContact CB-CB 4.22Å; I199-R227 HydrophobicContact CG1-CG 4.49Å; R227-M230 PolarHBondContact O-N 2.86Å; R227-L231 HydrophobicContact CG-CD1 4.16Å; R227-L231 WeakPolarHBondContact O-CG 3.34Å; R227-L231 PolarHBondContact O-N 3.38Å |
| 228 | S | 90.4 | Very high | 92.7 | Very high | 81 Ų | 81 | 59 Ų | 59 | 57% | 0.566 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.7 | -40.2 | -173.6 | 76.5 | 0 | 0 | 0 | 0 | 112.1 | D226 L231 N232 | D226-S228 VanDerWaalsContact C-N 3.29Å; D226-S228 PolarHBondContact O-N 2.9Å; D226-S228 WeakPolarHBondContact OD1-CA 3.42Å; D226-S228 WeakPolarHBondContact OD1-CB 3.47Å; D226-S228 PolarHBondContact OD1-N 3.3Å; D226-S228 PolarHBondContact OD1-OG 3.1Å; S228-L231 PolarHBondContact O-N 3.11Å; S228-N232 PolarHBondContact O-N 3.19Å; S228-N232 VanDerWaalsContact O-N 3.17Å |
| 229 | Q | 92 | Very high | 92.7 | Very high | 84 Ų | 84 | 57.9 Ų | 57.9 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.8 | -68.4 | 179.6 | 17.7 | 0 | 0 | 111.5 | Y224 D226 N232 A233 | Y224-Q229 HydrophobicContact CD1-CB 3.77Å; Y224-Q229 HydrophobicContact CE1-CB 4.47Å; Y224-Q229 HydrophobicContact CG-CB 4.34Å; D226-Q229 PolarHBondContact O-N 3.16Å; D226-Q229 PolarHBondContact OD1-N 3.36Å; D226-Q229 WeakPolarHBondContact OD2-CG 2.89Å; D226-Q229 PolarHBondContact OD2-NE2 3.03Å; Q229-N232 PolarHBondContact O-N 3.36Å; Q229-A233 PolarHBondContact O-N 3.06Å |
| 230 | M | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 178.8 | -170.8 | -179.8 | -74.7 | 0 | 0 | 112 | I194 I199 M206 F219 Y224 D226 R227 N232 A233 A234 | I194-M230 HydrophobicContact CD1-CG 4.06Å; I194-M230 HydrophobicContact CD1-SD 4.37Å; I194-M230 HydrophobicContact CG1-SD 4.24Å; I194-M230 HydrophobicContact CG2-CG 4.48Å; I194-M230 HydrophobicContact CG2-SD 4.2Å; I199-M230 HydrophobicContact CD1-CE 4.23Å; I199-M230 HydrophobicContact CD1-SD 3.88Å; I199-M230 HydrophobicContact CG1-SD 4.09Å; I199-M230 HydrophobicContact CG2-CE 3.57Å; I199-M230 HydrophobicContact CG2-SD 4.09Å; M206-M230 HydrophobicContact CB-CE 3.76Å; M206-M230 HydrophobicContact CB-SD 3.81Å; M206-M230 HydrophobicContact CG-SD 4.43Å; M206-M230 HydrophobicContact SD-SD 4.19Å; F219-M230 HydrophobicContact CE2-CE 4.48Å; F219-M230 HydrophobicContact CE2-CG 4.21Å; F219-M230 HydrophobicContact CZ-CG 4.05Å; Y224-M230 HydrophobicContact CD2-CB 4.36Å; Y224-M230 HydrophobicContact CD2-CG 4.43Å; Y224-M230 HydrophobicContact CG-CB 4.48Å; D226-M230 PolarHBondContact O-N 2.84Å; R227-M230 PolarHBondContact O-N 2.86Å; M230-N232 PolarHBondContact O-N 3.25Å; M230-A233 PolarHBondContact O-N 3.18Å; M230-A234 WeakPolarHBondContact O-CB 3.23Å; M230-A234 PolarHBondContact O-N 2.57Å |
| 231 | L | 94 | Very high | 92.1 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 175.2 | -77.3 | 169.7 | 0 | 0 | 0 | 112.4 | L191 I194 P195 R227 S228 A233 A234 S235 | L191-L231 HydrophobicContact CD2-CD2 3.94Å; I194-L231 HydrophobicContact CB-CD2 3.8Å; I194-L231 HydrophobicContact CB-CG 4.41Å; I194-L231 HydrophobicContact CD1-CD2 4.21Å; I194-L231 HydrophobicContact CG2-CD2 3.77Å; I194-L231 HydrophobicContact CG2-CG 3.81Å; P195-L231 HydrophobicContact CG-CD2 4.15Å; R227-L231 HydrophobicContact CG-CD1 4.16Å; R227-L231 WeakPolarHBondContact O-CG 3.34Å; R227-L231 PolarHBondContact O-N 3.38Å; S228-L231 PolarHBondContact O-N 3.11Å; L231-A233 VanDerWaalsContact C-N 3.3Å; L231-A233 PolarHBondContact O-N 3.38Å; L231-A234 PolarHBondContact O-N 3.02Å; L231-S235 PolarHBondContact O-N 2.95Å |
| 232 | N | 92.9 | Very high | 91.7 | Very high | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.2 | -29.1 | 177.3 | -175.3 | 28.1 | 0 | 0 | 0 | 112.9 | S228 Q229 M230 S235 K236 | S228-N232 PolarHBondContact O-N 3.19Å; S228-N232 VanDerWaalsContact O-N 3.17Å; Q229-N232 PolarHBondContact O-N 3.36Å; M230-N232 PolarHBondContact O-N 3.25Å; N232-S235 PolarHBondContact O-OG 3.33Å; N232-S235 VanDerWaalsContact O-OG 3.1Å; N232-K236 WeakPolarHBondContact O-CD 3.34Å; N232-K236 WeakPolarHBondContact O-CE 3.42Å; N232-K236 VanDerWaalsContact OD1-CE 3.32Å; N232-K236 WeakPolarHBondContact OD1-CE 3.17Å; N232-K236 PolarHBondContact OD1-NZ 2.87Å |
| 233 | A | 93.4 | Very high | 91.4 | Very high | 16 Ų | 16 | 64 Ų | 64 | 13% | 0.132 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.3 | -45.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F219 Y224 Q229 M230 L231 S235 K236 | F219-A233 HydrophobicContact CD1-CB 4.35Å; F219-A233 HydrophobicContact CE1-CB 4.37Å; Y224-A233 HydrophobicContact CD2-CB 4.37Å; Y224-A233 HydrophobicContact CE1-CB 4.24Å; Y224-A233 HydrophobicContact CE2-CB 3.43Å; Y224-A233 VanDerWaalsContact CE2-CB 3.43Å; Y224-A233 WeakPolarHBondContact OH-CB 3.39Å; Q229-A233 PolarHBondContact O-N 3.06Å; M230-A233 PolarHBondContact O-N 3.18Å; L231-A233 VanDerWaalsContact C-N 3.3Å; L231-A233 PolarHBondContact O-N 3.38Å; A233-S235 VanDerWaalsContact C-N 3.33Å; A233-S235 PolarHBondContact O-N 3.25Å; A233-K236 PolarHBondContact O-N 3.42Å |
| 234 | A | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L190 L191 I194 M230 L231 K236 I237 | L190-A234 HydrophobicContact CB-CB 4.34Å; L190-A234 HydrophobicContact CD1-CB 4.45Å; L191-A234 HydrophobicContact CD2-CB 4.23Å; I194-A234 HydrophobicContact CD1-CB 3.64Å; M230-A234 WeakPolarHBondContact O-CB 3.23Å; M230-A234 PolarHBondContact O-N 2.57Å; L231-A234 PolarHBondContact O-N 3.02Å; A234-K236 PolarHBondContact O-N 3.39Å; A234-K236 VanDerWaalsContact O-N 3.13Å; A234-I237 WeakPolarHBondContact O-CB 3.49Å; A234-I237 WeakPolarHBondContact O-CG1 3.26Å; A234-I237 PolarHBondContact O-N 2.91Å |
| 235 | S | 94.1 | Very high | 90.9 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.3 | 179.3 | 67 | 0 | 0 | 0 | 0 | 114.7 | L231 N232 A233 | L231-S235 PolarHBondContact O-N 2.95Å; N232-S235 PolarHBondContact O-OG 3.33Å; N232-S235 VanDerWaalsContact O-OG 3.1Å; A233-S235 VanDerWaalsContact C-N 3.33Å; A233-S235 PolarHBondContact O-N 3.25Å |
| 236 | K | 93.9 | Very high | 91.3 | Very high | 150 Ų | 150 | 54.5 Ų | 54.5 | 65% | 0.652 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 1.6 | -179 | -64.4 | 172.7 | -172.7 | 166.8 | 0 | 113.2 | N232 A233 A234 G238 | N232-K236 WeakPolarHBondContact O-CD 3.34Å; N232-K236 WeakPolarHBondContact O-CE 3.42Å; N232-K236 VanDerWaalsContact OD1-CE 3.32Å; N232-K236 WeakPolarHBondContact OD1-CE 3.17Å; N232-K236 PolarHBondContact OD1-NZ 2.87Å; A233-K236 PolarHBondContact O-N 3.42Å; A234-K236 PolarHBondContact O-N 3.39Å; A234-K236 VanDerWaalsContact O-N 3.13Å; K236-G238 PolarHBondContact O-N 2.89Å |
| 237 | I | 94.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | trans | -73 | 108.7 | 180 | -62.8 | 178.2 | 0 | 0 | 0 | 109 | W183 T187 L190 V208 E218 F219 A234 | W183-I237 HydrophobicContact CZ2-CG2 4.01Å; W183-I237 PolarHBondContact NE1-O 3.18Å; T187-I237 PolarHBondContact OG1-O 3.49Å; L190-I237 HydrophobicContact CD1-CD1 3.85Å; V208-I237 HydrophobicContact CB-CD1 4.34Å; V208-I237 HydrophobicContact CG1-CD1 3.92Å; E218-I237 HydrophobicContact CB-CD1 4.04Å; E218-I237 HydrophobicContact CB-CG1 4.32Å; E218-I237 HydrophobicContact CG-CD1 4.12Å; E218-I237 HydrophobicContact CG-CG1 4.24Å; E218-I237 HydrophobicContact CG-CG2 4.03Å; F219-I237 HydrophobicContact CE1-CD1 4.03Å; A234-I237 WeakPolarHBondContact O-CB 3.49Å; A234-I237 WeakPolarHBondContact O-CG1 3.26Å; A234-I237 PolarHBondContact O-N 2.91Å | ||
| 238 | G | 92.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | trans | -93.4 | 157.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q210 K236 K240 | Q210-G238 PolarHBondContact NE2-O 2.81Å; Q210-G238 PolarHBondContact OE1-O 3.35Å; K236-G238 PolarHBondContact O-N 2.89Å; G238-K240 PolarHBondContact O-N 2.89Å | ||
| 239 | Q | 94.1 | Very high | 92.1 | Very high | 23 Ų | 23 | 45 Ų | 45 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | trans | -57.5 | 134.2 | 177.6 | -170 | 169.3 | 13 | 0 | 0 | 111.2 | S177 I180 W183 Y241 | S177-Q239 PolarHBondContact O-NE2 3.21Å; I180-Q239 PolarHBondContact O-NE2 3.43Å; W183-Q239 HydrophobicContact CB-CB 4.01Å; W183-Q239 HydrophobicContact CD2-CB 3.65Å; W183-Q239 HydrophobicContact CD2-CG 4.12Å; W183-Q239 HydrophobicContact CE3-CB 3.88Å; W183-Q239 HydrophobicContact CE3-CG 3.8Å; W183-Q239 HydrophobicContact CG-CB 3.7Å; W183-Q239 HydrophobicContact CG-CG 4.45Å; W183-Q239 HydrophobicContact CZ3-CG 4.39Å; Q239-Y241 HydrophobicContact CB-CE1 4.21Å; Q239-Y241 HydrophobicContact CB-CE2 4.31Å; Q239-Y241 HydrophobicContact CG-CD1 4.06Å; Q239-Y241 HydrophobicContact CG-CE1 4.03Å; Q239-Y241 HydrophobicContact CG-CG 4.42Å; Q239-Y241 WeakPolarHBondContact O-CD2 3.43Å; Q239-Y241 WeakPolarHBondContact O-CE2 3.22Å | ||
| 240 | K | 90.6 | Very high | 92.3 | Very high | 49 Ų | 49 | 41 Ų | 41 | 21% | 0.213 | 23% | 0.229 | C | C | . | . | trans | -71.3 | -35 | 179.3 | -175.8 | -169.2 | 165.5 | 87.3 | 0 | 113.1 | Q210 S212 N214 K216 G238 | Q210-K240 HydrophobicContact CB-CB 4.29Å; Q210-K240 HydrophobicContact CB-CD 4.4Å; Q210-K240 VanDerWaalsContact OE1-N 3.11Å; S212-K240 VanDerWaalsContact OG-CE 3.27Å; S212-K240 WeakPolarHBondContact OG-CE 3.33Å; N214-K240 WeakPolarHBondContact O-CE 3.07Å; N214-K240 PolarHBondContact O-NZ 3.01Å; N214-K240 WeakPolarHBondContact OD1-CE 3.46Å; N214-K240 PolarHBondContact OD1-NZ 3.42Å; K216-K240 HydrophobicContact CB-CD 4.36Å; G238-K240 PolarHBondContact O-N 2.89Å | ||
| 241 | Y | 88.4 | Confident | 92.4 | Very high | 145 Ų | 145 | 41 Ų | 41 | 57% | 0.569 | 23% | 0.229 | S | C | * | . | trans | 65.7 | 158.1 | -167.7 | -52.1 | -75.4 | 0 | 0 | 0 | 113.1 | G176 N178 S212 Q239 | G176-Y241 WeakPolarHBondContact O-CA 3.46Å; G176-Y241 PolarHBondContact O-N 3.47Å; N178-Y241 WeakPolarHBondContact OD1-CA 3.13Å; N178-Y241 WeakPolarHBondContact OD1-CB 3.24Å; N178-Y241 WeakPolarHBondContact OD1-CD1 3.35Å; S212-Y241 PolarHBondContact OG-O 3.28Å; Q239-Y241 HydrophobicContact CB-CE1 4.21Å; Q239-Y241 HydrophobicContact CB-CE2 4.31Å; Q239-Y241 HydrophobicContact CG-CD1 4.06Å; Q239-Y241 HydrophobicContact CG-CE1 4.03Å; Q239-Y241 HydrophobicContact CG-CG 4.42Å; Q239-Y241 WeakPolarHBondContact O-CD2 3.43Å; Q239-Y241 WeakPolarHBondContact O-CE2 3.22Å | ||
| 242 | G | 86.8 | Confident | 92.5 | Very high | 11 Ų | 11 | 40 Ų | 40 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | trans | 157.1 | 161 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N178 D213 | N178-G242 WeakPolarHBondContact CB-O 3.44Å; N178-G242 PolarHBondContact N-O 3.42Å; N178-G242 PolarHBondContact ND2-O 3.48Å; N178-G242 PolarHBondContact OD1-N 3.37Å; N178-G242 PolarHBondContact OD1-O 2.9Å; D213-G242 WeakPolarHBondContact OD2-CA 3.22Å | ||
| 243 | T | 84.6 | Confident | 92.6 | Very high | 116 Ų | 116 | 38.7 Ų | 38.7 | 71% | 0.712 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -96.1 | -18.4 | -171.5 | 46 | 0 | 0 | 0 | 0 | 114.4 | D213 | D213-T243 PolarHBondContact OD1-N 3.17Å; D213-T243 PolarHBondContact OD1-OG1 3.36Å; D213-T243 VanDerWaalsContact OD1-OG1 3.07Å; D213-T243 PolarHBondContact OD2-N 3.13Å |
| 244 | S | 87.1 | Confident | 92.7 | Very high | 31 Ų | 31 | 38 Ų | 38 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | trans | -124 | 160.9 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | S212 D213 | S212-S244 CarbonylContact C-O 3.52Å; S212-S244 VanDerWaalsContact CA-O 3.24Å; S212-S244 WeakPolarHBondContact CA-O 3.16Å; D213-S244 PolarHBondContact N-O 3.37Å; D213-S244 VanDerWaalsContact OD1-CB 3.29Å; D213-S244 WeakPolarHBondContact OD1-CB 3.35Å; D213-S244 PolarHBondContact OD1-N 2.75Å; D213-S244 PolarHBondContact OD1-OG 3.26Å | ||
| 245 | T | 89.6 | Confident | 92.8 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | trans | -116.8 | 89.9 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 108.1 | D175 S177 Y211 T247 S281 H282 | D175-T245 WeakPolarHBondContact OD2-CG2 3.21Å; S177-T245 PolarHBondContact OG-OG1 3.15Å; Y211-T245 HydrophobicContact CE2-CG2 3.8Å; T245-T247 PolarHBondContact O-N 2.91Å; T245-S281 WeakPolarHBondContact O-CA 3.31Å; T245-S281 PolarHBondContact O-OG 3.35Å; T245-S281 VanDerWaalsContact O-OG 3.08Å; T245-H282 PolarHBondContact N-ND1 2.89Å; T245-H282 PolarHBondContact O-N 3.24Å | ||
| 246 | N | 93.8 | Very high | 92.7 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | trans | -94.3 | 71.6 | -179.4 | -67.6 | -25.7 | 0 | 0 | 0 | 111.2 | Y211 S212 D213 A249 A250 D283 | Y211-N246 WeakPolarHBondContact CD2-O 3.39Å; S212-N246 WeakPolarHBondContact O-CB 3.2Å; S212-N246 PolarHBondContact O-N 3.05Å; D213-N246 PolarHBondContact O-ND2 2.78Å; N246-A249 HydrophobicContact CB-CB 4.21Å; N246-A250 PolarHBondContact O-N 3.15Å; N246-D283 VanDerWaalsContact C-OD2 3.32Å; N246-D283 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 247 | T | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | -173 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | Y211 T245 A250 I251 V275 S281 D283 I327 | Y211-T247 VanDerWaalsContact CE2-CA 3.42Å; Y211-T247 WeakPolarHBondContact OH-CB 3.28Å; Y211-T247 WeakPolarHBondContact OH-CG2 3.29Å; Y211-T247 PolarHBondContact OH-OG1 2.93Å; T245-T247 PolarHBondContact O-N 2.91Å; T247-A250 WeakPolarHBondContact O-CB 3.42Å; T247-A250 PolarHBondContact O-N 3.34Å; T247-I251 HydrophobicContact CG2-CD1 4.02Å; T247-I251 WeakPolarHBondContact O-CG1 3.45Å; T247-I251 PolarHBondContact O-N 3.45Å; T247-V275 HydrophobicContact CG2-CG1 3.97Å; T247-S281 WeakPolarHBondContact CB-OG 3.45Å; T247-S281 PolarHBondContact N-OG 3.38Å; T247-S281 PolarHBondContact OG1-OG 2.72Å; T247-D283 PolarHBondContact N-OD1 3.02Å; T247-I327 HydrophobicContact CG2-CD1 3.88Å |
| 248 | F | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.4 | -31.4 | -175.4 | -66.4 | -71.6 | 0 | 0 | 0 | 112.5 | A250 I251 S252 D283 N284 I286 R287 V290 I291 E323 I327 | F248-A250 VanDerWaalsContact C-N 3.3Å; F248-I251 HydrophobicContact CD1-CD1 4.08Å; F248-I251 HydrophobicContact CE1-CD1 4.33Å; F248-I251 PolarHBondContact O-N 3.37Å; F248-S252 VanDerWaalsContact O-CB 3.28Å; F248-S252 WeakPolarHBondContact O-CB 3.33Å; F248-S252 PolarHBondContact O-N 3.31Å; F248-D283 WeakPolarHBondContact CB-OD1 3.38Å; F248-D283 WeakPolarHBondContact CD2-OD1 3.35Å; F248-D283 PolarHBondContact N-OD1 2.69Å; F248-D283 PolarHBondContact N-OD2 3.3Å; F248-N284 HydrophobicContact CD2-CB 4.5Å; F248-N284 HydrophobicContact CE2-CB 4.1Å; F248-N284 WeakPolarHBondContact CE2-OD1 3.23Å; F248-I286 HydrophobicContact CB-CD1 3.87Å; F248-I286 HydrophobicContact CB-CG1 3.72Å; F248-R287 HydrophobicContact CD1-CB 3.99Å; F248-R287 HydrophobicContact CD1-CG 4.15Å; F248-R287 HydrophobicContact CD2-CB 4.18Å; F248-R287 HydrophobicContact CE1-CB 3.68Å; F248-R287 HydrophobicContact CE1-CG 3.42Å; F248-R287 VanDerWaalsContact CE1-CG 3.42Å; F248-R287 HydrophobicContact CE2-CB 3.86Å; F248-R287 HydrophobicContact CE2-CG 4.23Å; F248-R287 HydrophobicContact CG-CB 4.24Å; F248-R287 HydrophobicContact CZ-CB 3.6Å; F248-R287 HydrophobicContact CZ-CG 3.46Å; F248-R287 VanDerWaalsContact CZ-CG 3.46Å; F248-V290 HydrophobicContact CB-CG2 4.43Å; F248-I291 HydrophobicContact CE1-CD1 4.34Å; F248-I291 HydrophobicContact CE1-CG1 4.41Å; F248-E323 HydrophobicContact CE2-CG 4.14Å; F248-E323 HydrophobicContact CZ-CG 3.98Å; F248-I327 HydrophobicContact CE1-CD1 4.28Å; F248-I327 HydrophobicContact CE1-CG1 3.84Å; F248-I327 HydrophobicContact CZ-CD1 4.34Å; F248-I327 HydrophobicContact CZ-CG1 4.16Å |
| 249 | A | 94.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 24% | 0.24 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N246 S252 F253 D283 | N246-A249 HydrophobicContact CB-CB 4.21Å; A249-S252 PolarHBondContact O-N 3.33Å; A249-F253 WeakPolarHBondContact O-CB 3.35Å; A249-F253 PolarHBondContact O-N 2.87Å; A249-D283 VanDerWaalsContact CB-OD2 3.24Å; A249-D283 WeakPolarHBondContact CB-OD2 3.47Å; A249-D283 PolarHBondContact N-OD2 3.16Å |
| 250 | A | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V173 Y211 Q215 N246 T247 F248 F253 A254 | V173-A250 HydrophobicContact CG1-CB 3.8Å; Y211-A250 HydrophobicContact CD1-CB 3.67Å; Y211-A250 HydrophobicContact CD2-CB 3.82Å; Y211-A250 HydrophobicContact CE1-CB 4.28Å; Y211-A250 HydrophobicContact CE2-CB 4.42Å; Y211-A250 HydrophobicContact CG-CB 3.41Å; Y211-A250 VanDerWaalsContact CG-CB 3.41Å; Q215-A250 HydrophobicContact CG-CB 4.1Å; N246-A250 PolarHBondContact O-N 3.15Å; T247-A250 WeakPolarHBondContact O-CB 3.42Å; T247-A250 PolarHBondContact O-N 3.34Å; F248-A250 VanDerWaalsContact C-N 3.3Å; A250-F253 PolarHBondContact O-N 3.08Å; A250-A254 WeakPolarHBondContact O-CB 3.48Å; A250-A254 PolarHBondContact O-N 2.93Å |
| 251 | I | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 174.4 | -66.7 | 166.6 | 0 | 0 | 0 | 110.7 | T247 F248 F253 A254 S255 M273 V275 V290 I327 | T247-I251 HydrophobicContact CG2-CD1 4.02Å; T247-I251 WeakPolarHBondContact O-CG1 3.45Å; T247-I251 PolarHBondContact O-N 3.45Å; F248-I251 HydrophobicContact CD1-CD1 4.08Å; F248-I251 HydrophobicContact CE1-CD1 4.33Å; F248-I251 PolarHBondContact O-N 3.37Å; I251-F253 VanDerWaalsContact C-N 3.35Å; I251-F253 PolarHBondContact O-N 2.69Å; I251-A254 PolarHBondContact O-N 3.1Å; I251-S255 PolarHBondContact O-N 2.66Å; I251-S255 PolarHBondContact O-OG 2.88Å; I251-M273 HydrophobicContact CB-SD 4.28Å; I251-M273 HydrophobicContact CG1-SD 4.13Å; I251-M273 HydrophobicContact CG2-CE 4.21Å; I251-M273 HydrophobicContact CG2-SD 3.85Å; I251-V275 HydrophobicContact CD1-CG2 4.16Å; I251-V275 HydrophobicContact CG1-CG2 3.95Å; I251-V290 HydrophobicContact CB-CG1 3.9Å; I251-V290 HydrophobicContact CG2-CG1 3.51Å; I251-I327 HydrophobicContact CD1-CD1 3.95Å; I251-I327 HydrophobicContact CD1-CG1 3.99Å; I251-I327 HydrophobicContact CD1-CG2 3.85Å |
| 252 | S | 95.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.2 | -172 | 0 | 0 | 0 | 0 | 112.3 | F248 A249 S255 K256 | F248-S252 VanDerWaalsContact O-CB 3.28Å; F248-S252 WeakPolarHBondContact O-CB 3.33Å; F248-S252 PolarHBondContact O-N 3.31Å; A249-S252 PolarHBondContact O-N 3.33Å; S252-S255 PolarHBondContact O-OG 3.2Å; S252-K256 WeakPolarHBondContact O-CB 3.26Å; S252-K256 WeakPolarHBondContact O-CG 3.47Å; S252-K256 PolarHBondContact O-N 3.49Å |
| 253 | F | 95.8 | Very high | 92.9 | Very high | 62 Ų | 62 | 36 Ų | 36 | 27% | 0.272 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 173.4 | 179.4 | -91.9 | 0 | 0 | 0 | 111.3 | I209 Q215 V217 A249 A250 I251 S255 K256 E257 | I209-F253 HydrophobicContact CD1-CD1 4.09Å; I209-F253 HydrophobicContact CD1-CE1 4.09Å; I209-F253 HydrophobicContact CG2-CD1 4.48Å; Q215-F253 HydrophobicContact CB-CD1 3.97Å; Q215-F253 HydrophobicContact CB-CE1 4.31Å; Q215-F253 HydrophobicContact CB-CG 4.15Å; Q215-F253 HydrophobicContact CG-CB 3.94Å; Q215-F253 HydrophobicContact CG-CD1 4.15Å; Q215-F253 HydrophobicContact CG-CG 4.01Å; V217-F253 HydrophobicContact CG2-CE1 3.68Å; V217-F253 HydrophobicContact CG2-CZ 3.96Å; A249-F253 WeakPolarHBondContact O-CB 3.35Å; A249-F253 PolarHBondContact O-N 2.87Å; A250-F253 PolarHBondContact O-N 3.08Å; I251-F253 VanDerWaalsContact C-N 3.35Å; I251-F253 PolarHBondContact O-N 2.69Å; F253-S255 PolarHBondContact O-N 3.45Å; F253-K256 PolarHBondContact O-N 3.07Å; F253-E257 HydrophobicContact CD2-CB 4.21Å; F253-E257 HydrophobicContact CD2-CG 3.86Å; F253-E257 HydrophobicContact CE1-CB 4.24Å; F253-E257 HydrophobicContact CE2-CB 3.93Å; F253-E257 HydrophobicContact CE2-CG 3.7Å; F253-E257 HydrophobicContact CG-CB 4.5Å; F253-E257 HydrophobicContact CZ-CB 3.93Å; F253-E257 HydrophobicContact CZ-CG 4.23Å; F253-E257 WeakPolarHBondContact O-CA 3.27Å; F253-E257 VanDerWaalsContact O-CB 3.3Å; F253-E257 WeakPolarHBondContact O-CB 3.25Å; F253-E257 PolarHBondContact O-N 2.71Å |
| 254 | A | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -62.5 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V171 V173 I209 A250 I251 A258 F259 M273 | V171-A254 HydrophobicContact CG1-CB 3.99Å; V173-A254 HydrophobicContact CG2-CB 3.77Å; I209-A254 HydrophobicContact CD1-CB 4.12Å; A250-A254 WeakPolarHBondContact O-CB 3.48Å; A250-A254 PolarHBondContact O-N 2.93Å; I251-A254 PolarHBondContact O-N 3.1Å; A254-A258 HydrophobicContact CB-CB 4.41Å; A254-A258 WeakPolarHBondContact O-CB 3.46Å; A254-A258 PolarHBondContact O-N 2.89Å; A254-A258 VanDerWaalsContact O-N 3.16Å; A254-F259 VanDerWaalsContact O-CD2 3.3Å; A254-F259 WeakPolarHBondContact O-CD2 3.32Å; A254-F259 PolarHBondContact O-N 3.44Å; A254-M273 HydrophobicContact CB-CE 3.53Å; A254-M273 HydrophobicContact CB-SD 4.2Å |
| 255 | S | 95.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -63.9 | -42.8 | 178.8 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | I251 S252 F253 Q297 | I251-S255 PolarHBondContact O-N 2.66Å; I251-S255 PolarHBondContact O-OG 2.88Å; S252-S255 PolarHBondContact O-OG 3.2Å; F253-S255 PolarHBondContact O-N 3.45Å; S255-Q297 PolarHBondContact O-OE1 3.14Å |
| 256 | K | 92.4 | Very high | 93.4 | Very high | 118 Ų | 118 | 30.4 Ų | 30.4 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -83.4 | -45.3 | -176.1 | -68 | 173.4 | -178 | 169.8 | 0 | 113.7 | S252 F253 | S252-K256 WeakPolarHBondContact O-CB 3.26Å; S252-K256 WeakPolarHBondContact O-CG 3.47Å; S252-K256 PolarHBondContact O-N 3.49Å; F253-K256 PolarHBondContact O-N 3.07Å |
| 257 | E | 92.4 | Very high | 92.9 | Very high | 90 Ų | 90 | 33.8 Ų | 33.8 | 42% | 0.421 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -99.4 | -46.3 | -169.7 | -63.2 | -62.3 | 141.4 | 0 | 0 | 111.8 | F253 F259 S260 N263 | F253-E257 HydrophobicContact CD2-CB 4.21Å; F253-E257 HydrophobicContact CD2-CG 3.86Å; F253-E257 HydrophobicContact CE1-CB 4.24Å; F253-E257 HydrophobicContact CE2-CB 3.93Å; F253-E257 HydrophobicContact CE2-CG 3.7Å; F253-E257 HydrophobicContact CG-CB 4.5Å; F253-E257 HydrophobicContact CZ-CB 3.93Å; F253-E257 HydrophobicContact CZ-CG 4.23Å; F253-E257 WeakPolarHBondContact O-CA 3.27Å; F253-E257 VanDerWaalsContact O-CB 3.3Å; F253-E257 WeakPolarHBondContact O-CB 3.25Å; F253-E257 PolarHBondContact O-N 2.71Å; E257-F259 PolarHBondContact O-N 3.05Å; E257-S260 WeakPolarHBondContact O-CB 3.38Å; E257-S260 PolarHBondContact O-N 3.18Å; E257-S260 PolarHBondContact O-OG 3.01Å; E257-N263 PolarHBondContact O-ND2 3.17Å |
| 258 | A | 92.6 | Very high | 92 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -68.7 | -39.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V171 I209 L221 A254 S260 | V171-A258 HydrophobicContact CB-CB 4.44Å; V171-A258 HydrophobicContact CG1-CB 3.77Å; V171-A258 HydrophobicContact CG2-CB 3.76Å; I209-A258 HydrophobicContact CD1-CB 3.58Å; L221-A258 VanDerWaalsContact CD1-O 3.31Å; L221-A258 WeakPolarHBondContact CD1-O 3.23Å; A254-A258 HydrophobicContact CB-CB 4.41Å; A254-A258 WeakPolarHBondContact O-CB 3.46Å; A254-A258 PolarHBondContact O-N 2.89Å; A254-A258 VanDerWaalsContact O-N 3.16Å; A258-S260 VanDerWaalsContact C-N 3.28Å; A258-S260 PolarHBondContact O-N 3.09Å |
| 259 | F | 94.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.8 | 175.5 | -68.9 | -69.7 | 0 | 0 | 0 | 114.2 | D169 V171 L221 A254 E257 K271 V272 M273 I299 | D169-F259 HydrophobicContact CB-CD1 4.02Å; D169-F259 HydrophobicContact CB-CE1 3.92Å; D169-F259 WeakPolarHBondContact O-CE1 3.21Å; V171-F259 HydrophobicContact CB-CE1 4.36Å; V171-F259 HydrophobicContact CB-CE2 3.99Å; V171-F259 HydrophobicContact CB-CZ 3.76Å; V171-F259 HydrophobicContact CG2-CD1 3.94Å; V171-F259 HydrophobicContact CG2-CD2 4.07Å; V171-F259 HydrophobicContact CG2-CE1 3.5Å; V171-F259 VanDerWaalsContact CG2-CE1 3.5Å; V171-F259 HydrophobicContact CG2-CE2 3.65Å; V171-F259 HydrophobicContact CG2-CG 4.21Å; V171-F259 HydrophobicContact CG2-CZ 3.35Å; L221-F259 HydrophobicContact CD1-CD1 4.44Å; A254-F259 VanDerWaalsContact O-CD2 3.3Å; A254-F259 WeakPolarHBondContact O-CD2 3.32Å; A254-F259 PolarHBondContact O-N 3.44Å; E257-F259 PolarHBondContact O-N 3.05Å; F259-K271 HydrophobicContact CB-CD 4.17Å; F259-K271 HydrophobicContact CD1-CB 3.94Å; F259-K271 HydrophobicContact CD1-CD 3.98Å; F259-K271 HydrophobicContact CD1-CG 3.72Å; F259-K271 HydrophobicContact CE1-CB 3.64Å; F259-K271 HydrophobicContact CE1-CG 3.93Å; F259-K271 HydrophobicContact CG-CD 4.03Å; F259-K271 HydrophobicContact CG-CG 4.27Å; F259-K271 HydrophobicContact CZ-CB 3.97Å; F259-V272 WeakPolarHBondContact CZ-O 3.09Å; F259-M273 HydrophobicContact CE2-CE 4.01Å; F259-I299 HydrophobicContact CD2-CD1 3.99Å; F259-I299 HydrophobicContact CE2-CD1 4.11Å; F259-I299 HydrophobicContact CE2-CG2 4.03Å; F259-I299 HydrophobicContact CZ-CG2 4.31Å |
| 260 | S | 93.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74.7 | 149.6 | 177.8 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | E257 A258 S262 N263 G264 G265 | E257-S260 WeakPolarHBondContact O-CB 3.38Å; E257-S260 PolarHBondContact O-N 3.18Å; E257-S260 PolarHBondContact O-OG 3.01Å; A258-S260 VanDerWaalsContact C-N 3.28Å; A258-S260 PolarHBondContact O-N 3.09Å; S260-S262 PolarHBondContact O-N 3.01Å; S260-S262 PolarHBondContact OG-OG 3.1Å; S260-N263 CarbonylContact O-C 3.54Å; S260-N263 PolarHBondContact O-N 2.75Å; S260-N263 PolarHBondContact OG-ND2 3.49Å; S260-G264 PolarHBondContact O-N 2.84Å; S260-G265 WeakPolarHBondContact O-CA 3.06Å; S260-G265 PolarHBondContact O-N 2.98Å |
| 261 | A | 90.5 | Very high | 90.6 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 69% | 0.686 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -58.6 | -33.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N263 G264 G265 | A261-N263 PolarHBondContact O-N 2.96Å; A261-G264 PolarHBondContact O-N 3.12Å; A261-G264 VanDerWaalsContact O-N 3.15Å; A261-G265 WeakPolarHBondContact CA-O 3.44Å |
| 262 | S | 90.3 | Very high | 90.4 | Very high | 92 Ų | 92 | 41.2 Ų | 41.2 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -66.8 | -21.4 | 176.5 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | S260 | S260-S262 PolarHBondContact O-N 3.01Å; S260-S262 PolarHBondContact OG-OG 3.1Å |
| 263 | N | 91.9 | Very high | 90.4 | Very high | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -105.3 | 14.5 | 175.3 | -68.4 | -36.5 | 0 | 0 | 0 | 113.3 | K220 L221 E257 S260 A261 | K220-N263 HydrophobicContact CD-CB 4.28Å; K220-N263 VanDerWaalsContact CD-OD1 3.32Å; K220-N263 WeakPolarHBondContact CD-OD1 3.47Å; K220-N263 WeakPolarHBondContact CE-OD1 3.3Å; K220-N263 PolarHBondContact NZ-OD1 2.7Å; L221-N263 PolarHBondContact N-O 3.02Å; E257-N263 PolarHBondContact O-ND2 3.17Å; S260-N263 CarbonylContact O-C 3.54Å; S260-N263 PolarHBondContact O-N 2.75Å; S260-N263 PolarHBondContact OG-ND2 3.49Å; A261-N263 PolarHBondContact O-N 2.96Å |
| 264 | G | 90.2 | Very high | 90.4 | Very high | 9 Ų | 9 | 37 Ų | 37 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 2.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q205 S260 A261 R266 | Q205-G264 PolarHBondContact OE1-O 3.33Å; Q205-G264 VanDerWaalsContact OE1-O 3.11Å; S260-G264 PolarHBondContact O-N 2.84Å; A261-G264 PolarHBondContact O-N 3.12Å; A261-G264 VanDerWaalsContact O-N 3.15Å; G264-R266 PolarHBondContact O-N 3.2Å |
| 265 | G | 91.1 | Very high | 90.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | trans | -62.9 | 129.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D169 S260 A261 | D169-G265 WeakPolarHBondContact OD2-CA 3.35Å; S260-G265 WeakPolarHBondContact O-CA 3.06Å; S260-G265 PolarHBondContact O-N 2.98Å; A261-G265 WeakPolarHBondContact CA-O 3.44Å | ||
| 266 | R | 90.2 | Very high | 90.5 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | trans | -101.8 | 123.3 | -177.1 | -67.9 | 171.7 | -65.3 | 174.3 | 9.6 | 109.4 | M168 D169 P201 S203 G264 E268 A269 | M168-R266 VanDerWaalsContact C-NH2 3.28Å; M168-R266 VanDerWaalsContact N-NH2 3.18Å; M168-R266 PolarHBondContact O-NH2 2.84Å; D169-R266 IonicContact OD1-CZ 3.17Å; D169-R266 IonicContact OD1-NE 2.86Å; D169-R266 PolarHBondContact OD1-NE 3Å; D169-R266 IonicContact OD1-NH2 2.68Å; D169-R266 PolarHBondContact OD1-NH2 3.5Å; D169-R266 PolarHBondContact OD2-N 3.49Å; P201-R266 PolarHBondContact O-NH1 3.17Å; S203-R266 PolarHBondContact O-NH1 3.43Å; S203-R266 PolarHBondContact O-NH2 3Å; G264-R266 PolarHBondContact O-N 3.2Å; R266-E268 VanDerWaalsContact C-N 3.26Å; R266-E268 PolarHBondContact O-N 2.95Å; R266-A269 HydrophobicContact CB-CB 3.65Å; R266-A269 WeakPolarHBondContact O-CB 3.39Å; R266-A269 PolarHBondContact O-N 3.08Å; R266-A269 VanDerWaalsContact O-N 3.07Å | ||
| 267 | P | 82.1 | Confident | 90.5 | Very high | 109 Ų | 109 | 31.3 Ų | 31.3 | 71% | 0.708 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -29.4 | -174.9 | 21.5 | -28.4 | 0 | 0 | 0 | 113.3 | A269 | P267-A269 VanDerWaalsContact C-N 3.33Š|
| 268 | E | 76.6 | Confident | 90.2 | Very high | 117 Ų | 117 | 27 Ų | 27 | 55% | 0.547 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.4 | 175.3 | 67.3 | -77.9 | 177 | 0 | 0 | 113.9 | L167 R266 | L167-E268 HydrophobicContact CD1-CG 3.59Å; L167-E268 WeakPolarHBondContact CD1-OE1 3.35Å; R266-E268 VanDerWaalsContact C-N 3.26Å; R266-E268 PolarHBondContact O-N 2.95Å |
| 269 | A | 82.5 | Confident | 89.8 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -82.7 | 148.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L167 D169 R266 P267 | L167-A269 HydrophobicContact CB-CB 3.82Å; L167-A269 CarbonylContact O-C 3.4Å; L167-A269 WeakPolarHBondContact O-CA 3.14Å; L167-A269 WeakPolarHBondContact O-CB 3.25Å; D169-A269 HydrophobicContact CB-CB 4.43Å; R266-A269 HydrophobicContact CB-CB 3.65Å; R266-A269 WeakPolarHBondContact O-CB 3.39Å; R266-A269 PolarHBondContact O-N 3.08Å; R266-A269 VanDerWaalsContact O-N 3.07Å; P267-A269 VanDerWaalsContact C-N 3.33Å |
| 270 | A | 83.1 | Confident | 89.5 | Confident | 19 Ų | 19 | 29.9 Ų | 29.9 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 130 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L167 M168 D169 | L167-A270 PolarHBondContact O-N 2.62Å; M168-A270 HydrophobicContact CG-CB 4.42Å; D169-A270 PolarHBondContact N-O 2.82Å |
| 271 | K | 90.8 | Very high | 89.3 | Confident | 45 Ų | 45 | 29.2 Ų | 29.2 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.7 | -178 | -63.5 | -179.7 | -177.6 | 178.2 | 0 | 109.8 | F259 I299 I300 | F259-K271 HydrophobicContact CB-CD 4.17Å; F259-K271 HydrophobicContact CD1-CB 3.94Å; F259-K271 HydrophobicContact CD1-CD 3.98Å; F259-K271 HydrophobicContact CD1-CG 3.72Å; F259-K271 HydrophobicContact CE1-CB 3.64Å; F259-K271 HydrophobicContact CE1-CG 3.93Å; F259-K271 HydrophobicContact CG-CD 4.03Å; F259-K271 HydrophobicContact CG-CG 4.27Å; F259-K271 HydrophobicContact CZ-CB 3.97Å; K271-I299 HydrophobicContact CB-CB 4.48Å; K271-I299 HydrophobicContact CB-CG1 4.06Å; K271-I299 HydrophobicContact CB-CG2 4.45Å; K271-I299 HydrophobicContact CD-CG1 4.07Å; K271-I300 PolarHBondContact O-N 3.48Å |
| 272 | V | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.7 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | M168 D169 I170 V171 F259 V274 I300 F302 I356 | M168-V272 HydrophobicContact CG-CG2 4.27Å; M168-V272 HydrophobicContact SD-CG2 3.99Å; D169-V272 PolarHBondContact O-N 3.25Å; I170-V272 CarbonylContact C-O 3.59Å; I170-V272 VanDerWaalsContact CA-O 3.3Å; I170-V272 WeakPolarHBondContact CA-O 3.35Å; I170-V272 HydrophobicContact CG1-CB 4.28Å; V171-V272 PolarHBondContact N-O 3.02Å; F259-V272 WeakPolarHBondContact CZ-O 3.09Å; V272-V274 HydrophobicContact CG1-CG2 4.47Å; V272-I300 CarbonylContact C-O 3.59Å; V272-I300 WeakPolarHBondContact CA-O 3.48Å; V272-F302 HydrophobicContact CG1-CD2 3.89Å; V272-F302 HydrophobicContact CG1-CE2 3.89Å; V272-I356 HydrophobicContact CG1-CD1 4.37Å; V272-I356 HydrophobicContact CG1-CG1 4.28Å |
| 273 | M | 95.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132 | 175.1 | -171.7 | -175.9 | -62.4 | 0 | 0 | 109.7 | V171 V173 I251 A254 F259 V275 I299 I300 R301 F302 | V171-M273 CarbonylContact O-C 3.53Å; V171-M273 VanDerWaalsContact O-CA 3.31Å; V171-M273 WeakPolarHBondContact O-CA 3.23Å; V173-M273 HydrophobicContact CG2-CG 3.88Å; V173-M273 HydrophobicContact CG2-SD 4.07Å; I251-M273 HydrophobicContact CB-SD 4.28Å; I251-M273 HydrophobicContact CG1-SD 4.13Å; I251-M273 HydrophobicContact CG2-CE 4.21Å; I251-M273 HydrophobicContact CG2-SD 3.85Å; A254-M273 HydrophobicContact CB-CE 3.53Å; A254-M273 HydrophobicContact CB-SD 4.2Å; F259-M273 HydrophobicContact CE2-CE 4.01Å; M273-V275 HydrophobicContact CG-CG2 4.05Å; M273-V275 HydrophobicContact SD-CG2 3.94Å; M273-I299 HydrophobicContact CB-CG2 3.84Å; M273-I299 HydrophobicContact CE-CG2 4.27Å; M273-I300 PolarHBondContact N-O 2.75Å; M273-R301 HydrophobicContact CB-CG 4.26Å; M273-R301 CarbonylContact O-C 3.5Å; M273-R301 WeakPolarHBondContact O-CA 3.4Å; M273-F302 PolarHBondContact O-N 3.17Å |
| 274 | V | 96.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.6 | 174.7 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | I170 V171 I172 V173 F189 V272 V276 F302 I304 L352 I356 | I170-V274 HydrophobicContact CG2-CG2 4.48Å; V171-V274 PolarHBondContact O-N 3.14Å; I172-V274 HydrophobicContact CD1-CB 3.68Å; I172-V274 HydrophobicContact CD1-CG1 4.43Å; I172-V274 HydrophobicContact CD1-CG2 3.73Å; V173-V274 PolarHBondContact N-O 3.27Å; F189-V274 HydrophobicContact CZ-CG1 4.45Å; V272-V274 HydrophobicContact CG1-CG2 4.47Å; V274-V276 HydrophobicContact CG1-CG2 4.14Å; V274-F302 HydrophobicContact CG1-CB 4.33Å; V274-F302 HydrophobicContact CG2-CB 4.3Å; V274-F302 HydrophobicContact CG2-CD2 4.44Å; V274-I304 HydrophobicContact CG1-CD1 3.75Å; V274-I304 HydrophobicContact CG1-CG1 4.35Å; V274-L352 HydrophobicContact CG1-CD2 3.89Å; V274-L352 HydrophobicContact CG2-CD2 4.38Å; V274-I356 HydrophobicContact CG2-CD1 3.97Å |
| 275 | V | 96.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.5 | -179.6 | -173.5 | 0 | 0 | 0 | 0 | 109 | V173 T247 I251 M273 F302 I304 I327 | V173-V275 HydrophobicContact CB-CG2 4.32Å; V173-V275 WeakPolarHBondContact O-CA 3.43Å; T247-V275 HydrophobicContact CG2-CG1 3.97Å; I251-V275 HydrophobicContact CD1-CG2 4.16Å; I251-V275 HydrophobicContact CG1-CG2 3.95Å; M273-V275 HydrophobicContact CG-CG2 4.05Å; M273-V275 HydrophobicContact SD-CG2 3.94Å; V275-F302 PolarHBondContact N-O 3.05Å; V275-I304 PolarHBondContact O-N 2.87Å; V275-I327 HydrophobicContact CB-CG2 4.16Å; V275-I327 HydrophobicContact CG1-CD1 4.44Å; V275-I327 HydrophobicContact CG2-CG2 3.87Å |
| 276 | V | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.8 | -179.5 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | V173 L174 D175 M186 F189 V274 I304 V306 L345 | V173-V276 PolarHBondContact O-N 3.16Å; L174-V276 HydrophobicContact CD2-CB 3.84Å; L174-V276 HydrophobicContact CD2-CG2 3.76Å; D175-V276 WeakPolarHBondContact CB-O 3.32Å; D175-V276 PolarHBondContact N-O 3.45Å; M186-V276 HydrophobicContact CE-CB 4.15Å; M186-V276 HydrophobicContact CE-CG1 3.81Å; M186-V276 HydrophobicContact SD-CG1 3.87Å; F189-V276 HydrophobicContact CE1-CG2 4.18Å; V274-V276 HydrophobicContact CG1-CG2 4.14Å; V276-I304 HydrophobicContact CB-CB 4.46Å; V276-I304 HydrophobicContact CG1-CB 4.26Å; V276-I304 HydrophobicContact CG1-CG2 4.23Å; V276-I304 HydrophobicContact CG2-CB 4.18Å; V276-I304 HydrophobicContact CG2-CD1 4.02Å; V276-I304 HydrophobicContact CG2-CG1 4.4Å; V276-V306 HydrophobicContact CG1-CG2 3.94Å; V276-L345 HydrophobicContact CG1-CD2 3.74Å |
| 277 | T | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 150.6 | -176.5 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | D175 Y211 G279 I304 V306 I324 | D175-T277 PolarHBondContact OD2-OG1 2.89Å; Y211-T277 WeakPolarHBondContact OH-CB 3.49Å; T277-G279 PolarHBondContact OG1-N 3.17Å; T277-G279 PolarHBondContact OG1-O 3.23Å; T277-I304 PolarHBondContact N-O 2.93Å; T277-I304 VanDerWaalsContact N-O 3.14Å; T277-V306 PolarHBondContact O-N 3.2Å; T277-I324 HydrophobicContact CG2-CD1 3.18Å; T277-I324 HydrophobicContact CG2-CG1 4.04Å |
| 278 | D | 86.5 | Confident | 89.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -111.4 | -1.1 | 175.1 | 79.4 | -27.6 | 0 | 0 | 0 | 114.3 | S179 I180 V306 Y310 | S179-D278 WeakPolarHBondContact CB-OD1 3.18Å; S179-D278 WeakPolarHBondContact CB-OD2 3.38Å; S179-D278 PolarHBondContact OG-OD1 3.46Å; I180-D278 WeakPolarHBondContact CA-OD2 3.45Å; I180-D278 HydrophobicContact CD1-CB 3.45Å; I180-D278 VanDerWaalsContact CD1-CB 3.45Å; I180-D278 WeakPolarHBondContact CD1-OD1 3.32Å; I180-D278 HydrophobicContact CG1-CB 4.42Å; I180-D278 WeakPolarHBondContact CG1-OD1 3.35Å; I180-D278 PolarHBondContact N-OD2 2.81Å; D278-V306 VanDerWaalsContact CA-O 3.24Å; D278-V306 WeakPolarHBondContact CA-O 3.13Å; D278-V306 HydrophobicContact CB-CB 3.88Å; D278-V306 HydrophobicContact CB-CG1 4.31Å; D278-V306 VanDerWaalsContact CB-O 3.25Å; D278-V306 WeakPolarHBondContact CB-O 3.39Å; D278-Y310 WeakPolarHBondContact O-CD2 3.48Å; D278-Y310 WeakPolarHBondContact O-CE2 3.49Å |
| 279 | G | 83.8 | Confident | 90.8 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -133 | 146.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | T277 | T277-G279 PolarHBondContact OG1-N 3.17Å; T277-G279 PolarHBondContact OG1-O 3.23Å |
| 280 | E | 87.9 | Confident | 91.4 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | trans | -61 | 138.3 | 169.9 | -78.7 | 165.6 | -115.6 | 0 | 0 | 110.9 | Y310 N319 L320 | E280-Y310 WeakPolarHBondContact CG-OH 3.25Å; E280-Y310 PolarHBondContact N-OH 3.1Å; E280-Y310 PolarHBondContact OE1-OH 2.83Å; E280-N319 VanDerWaalsContact CD-CB 3.48Å; E280-N319 HydrophobicContact CG-CB 4.29Å; E280-N319 VanDerWaalsContact OE2-CB 3.3Å; E280-N319 WeakPolarHBondContact OE2-CB 3.4Å; E280-L320 HydrophobicContact CG-CB 4.14Å | ||
| 281 | S | 89.4 | Confident | 92 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | trans | -74 | 134.7 | -174.6 | -154.3 | 0 | 0 | 0 | 0 | 112.7 | T245 T247 D283 E323 | T245-S281 WeakPolarHBondContact O-CA 3.31Å; T245-S281 PolarHBondContact O-OG 3.35Å; T245-S281 VanDerWaalsContact O-OG 3.08Å; T247-S281 WeakPolarHBondContact CB-OG 3.45Å; T247-S281 PolarHBondContact N-OG 3.38Å; T247-S281 PolarHBondContact OG1-OG 2.72Å; S281-D283 PolarHBondContact O-N 2.89Å; S281-D283 PolarHBondContact OG-OD1 3.1Å; S281-E323 VanDerWaalsContact CB-OE1 3.26Å; S281-E323 WeakPolarHBondContact CB-OE1 3.3Å; S281-E323 PolarHBondContact N-OE1 3.2Å; S281-E323 PolarHBondContact N-OE2 3.18Å | ||
| 282 | H | 89.4 | Confident | 92 | Very high | 120 Ų | 120 | 41.2 Ų | 41.2 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -10.3 | 175.3 | -69.6 | 66.8 | 0 | 0 | 0 | 112.8 | T245 | T245-H282 PolarHBondContact N-ND1 2.89Å; T245-H282 PolarHBondContact O-N 3.24Å |
| 283 | D | 91.6 | Very high | 92 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 25.8 | -179 | 66.3 | 2.6 | 0 | 0 | 0 | 113.4 | N246 T247 F248 A249 S281 Y285 I286 | N246-D283 VanDerWaalsContact C-OD2 3.32Å; N246-D283 WeakPolarHBondContact CA-OD2 3.36Å; T247-D283 PolarHBondContact N-OD1 3.02Å; F248-D283 WeakPolarHBondContact CB-OD1 3.38Å; F248-D283 WeakPolarHBondContact CD2-OD1 3.35Å; F248-D283 PolarHBondContact N-OD1 2.69Å; F248-D283 PolarHBondContact N-OD2 3.3Å; A249-D283 VanDerWaalsContact CB-OD2 3.24Å; A249-D283 WeakPolarHBondContact CB-OD2 3.47Å; A249-D283 PolarHBondContact N-OD2 3.16Å; S281-D283 PolarHBondContact O-N 2.89Å; S281-D283 PolarHBondContact OG-OD1 3.1Å; D283-Y285 HydrophobicContact CB-CE1 4.05Å; D283-Y285 PolarHBondContact O-N 3.34Å; D283-I286 HydrophobicContact CB-CD1 4.48Å; D283-I286 HydrophobicContact CB-CG1 4.34Å; D283-I286 WeakPolarHBondContact O-CG1 3.12Å; D283-I286 PolarHBondContact O-N 2.75Å; D283-I286 VanDerWaalsContact O-N 3.1Å |
| 284 | N | 89.1 | Confident | 91.9 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -56.7 | -19.5 | -179 | -171.2 | 38.2 | 0 | 0 | 0 | 114.3 | F248 I286 R287 | F248-N284 HydrophobicContact CD2-CB 4.5Å; F248-N284 HydrophobicContact CE2-CB 4.1Å; F248-N284 WeakPolarHBondContact CE2-OD1 3.23Å; N284-I286 PolarHBondContact O-N 2.89Å; N284-R287 WeakPolarHBondContact O-CB 3.3Å; N284-R287 PolarHBondContact O-N 2.65Å; N284-R287 VanDerWaalsContact O-N 3.11Å |
| 285 | Y | 91.2 | Very high | 91.6 | Very high | 198 Ų | 198 | 48.5 Ų | 48.5 | 78% | 0.776 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -63.4 | -19 | 176.4 | 69.7 | -86.9 | 0 | 0 | 0 | 114.5 | D283 | D283-Y285 HydrophobicContact CB-CE1 4.05Å; D283-Y285 PolarHBondContact O-N 3.34Å |
| 286 | I | 93.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 56.5 Ų | 56.5 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -98.3 | -1.2 | 174.7 | 56.6 | 165.3 | 0 | 0 | 0 | 114 | F248 D283 N284 D288 S289 V290 | F248-I286 HydrophobicContact CB-CD1 3.87Å; F248-I286 HydrophobicContact CB-CG1 3.72Å; D283-I286 HydrophobicContact CB-CD1 4.48Å; D283-I286 HydrophobicContact CB-CG1 4.34Å; D283-I286 WeakPolarHBondContact O-CG1 3.12Å; D283-I286 PolarHBondContact O-N 2.75Å; D283-I286 VanDerWaalsContact O-N 3.1Å; N284-I286 PolarHBondContact O-N 2.89Å; I286-D288 PolarHBondContact O-N 3.2Å; I286-S289 PolarHBondContact O-N 3.48Å; I286-S289 PolarHBondContact O-OG 3.42Å; I286-V290 HydrophobicContact CB-CG2 4.41Å; I286-V290 HydrophobicContact CD1-CG2 4.07Å; I286-V290 HydrophobicContact CG1-CG2 4.33Å; I286-V290 WeakPolarHBondContact O-CG2 3.35Å; I286-V290 PolarHBondContact O-N 3.01Å |
| 287 | R | 93.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -45 | -60.4 | -174.5 | 172.8 | -171.7 | 75.2 | -168.8 | 0.8 | 113.2 | F248 N284 S289 V290 I291 S326 | F248-R287 HydrophobicContact CD1-CB 3.99Å; F248-R287 HydrophobicContact CD1-CG 4.15Å; F248-R287 HydrophobicContact CD2-CB 4.18Å; F248-R287 HydrophobicContact CE1-CB 3.68Å; F248-R287 HydrophobicContact CE1-CG 3.42Å; F248-R287 VanDerWaalsContact CE1-CG 3.42Å; F248-R287 HydrophobicContact CE2-CB 3.86Å; F248-R287 HydrophobicContact CE2-CG 4.23Å; F248-R287 HydrophobicContact CG-CB 4.24Å; F248-R287 HydrophobicContact CZ-CB 3.6Å; F248-R287 HydrophobicContact CZ-CG 3.46Å; F248-R287 VanDerWaalsContact CZ-CG 3.46Å; N284-R287 WeakPolarHBondContact O-CB 3.3Å; N284-R287 PolarHBondContact O-N 2.65Å; N284-R287 VanDerWaalsContact O-N 3.11Å; R287-S289 PolarHBondContact O-N 2.87Å; R287-V290 PolarHBondContact O-N 3.13Å; R287-I291 HydrophobicContact CG-CG1 4.17Å; R287-I291 WeakPolarHBondContact O-CG1 3.38Å; R287-I291 PolarHBondContact O-N 2.98Å; R287-S326 VanDerWaalsContact CD-OG 3.31Å; R287-S326 WeakPolarHBondContact CD-OG 3.23Å |
| 288 | D | 91.9 | Very high | 90.6 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 57% | 0.572 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.2 | -36.3 | -169.2 | -61.2 | -18.4 | 0 | 0 | 0 | 111.3 | I286 A292 | I286-D288 PolarHBondContact O-N 3.2Å; D288-A292 VanDerWaalsContact O-CB 3.24Å; D288-A292 WeakPolarHBondContact O-CB 3.46Å; D288-A292 PolarHBondContact O-N 3.19Å; D288-A292 VanDerWaalsContact O-N 3.13Å |
| 289 | S | 94.3 | Very high | 90.8 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 176.7 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | I286 R287 E293 | I286-S289 PolarHBondContact O-N 3.48Å; I286-S289 PolarHBondContact O-OG 3.42Å; R287-S289 PolarHBondContact O-N 2.87Å; S289-E293 PolarHBondContact O-N 3.27Å |
| 290 | V | 95.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -75.4 | -42.7 | -177.7 | 173 | 0 | 0 | 0 | 0 | 110.8 | F248 I251 I286 R287 E293 C294 | F248-V290 HydrophobicContact CB-CG2 4.43Å; I251-V290 HydrophobicContact CB-CG1 3.9Å; I251-V290 HydrophobicContact CG2-CG1 3.51Å; I286-V290 HydrophobicContact CB-CG2 4.41Å; I286-V290 HydrophobicContact CD1-CG2 4.07Å; I286-V290 HydrophobicContact CG1-CG2 4.33Å; I286-V290 WeakPolarHBondContact O-CG2 3.35Å; I286-V290 PolarHBondContact O-N 3.01Å; R287-V290 PolarHBondContact O-N 3.13Å; V290-E293 PolarHBondContact O-N 2.98Å; V290-C294 PolarHBondContact O-N 2.74Å; V290-C294 PolarHBondContact O-SG 3.16Å |
| 291 | I | 95.1 | Very high | 91.4 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 178.6 | -61.1 | -55.5 | 0 | 0 | 0 | 110.6 | F248 R287 E293 C294 D295 I327 | F248-I291 HydrophobicContact CE1-CD1 4.34Å; F248-I291 HydrophobicContact CE1-CG1 4.41Å; R287-I291 HydrophobicContact CG-CG1 4.17Å; R287-I291 WeakPolarHBondContact O-CG1 3.38Å; R287-I291 PolarHBondContact O-N 2.98Å; I291-E293 VanDerWaalsContact C-N 3.27Å; I291-E293 PolarHBondContact O-N 3.11Å; I291-C294 WeakPolarHBondContact O-CB 3.41Å; I291-C294 PolarHBondContact O-N 2.69Å; I291-D295 PolarHBondContact O-N 3.08Å; I291-I327 HydrophobicContact CD1-CG1 4.47Å |
| 292 | A | 91.2 | Very high | 91.6 | Very high | 59 Ų | 59 | 59 Ų | 59 | 49% | 0.488 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59 | -37.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D288 D295 K296 | D288-A292 VanDerWaalsContact O-CB 3.24Å; D288-A292 WeakPolarHBondContact O-CB 3.46Å; D288-A292 PolarHBondContact O-N 3.19Å; D288-A292 VanDerWaalsContact O-N 3.13Å; A292-D295 PolarHBondContact O-N 3.01Å; A292-K296 WeakPolarHBondContact O-CB 3.29Å; A292-K296 PolarHBondContact O-N 3.21Å |
| 293 | E | 93.3 | Very high | 91.9 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70 | -37 | 175.5 | -175.7 | 57.1 | -149 | 0 | 0 | 112 | S289 V290 I291 K296 Q297 | S289-E293 PolarHBondContact O-N 3.27Å; V290-E293 PolarHBondContact O-N 2.98Å; I291-E293 VanDerWaalsContact C-N 3.27Å; I291-E293 PolarHBondContact O-N 3.11Å; E293-K296 PolarHBondContact O-N 2.94Å; E293-Q297 WeakPolarHBondContact O-CG 3.11Å; E293-Q297 PolarHBondContact O-N 3.11Å; E293-Q297 VanDerWaalsContact O-N 3.1Å; E293-Q297 PolarHBondContact OE1-NE2 3.3Å |
| 294 | C | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 173.8 | -65.7 | 0 | 0 | 0 | 0 | 112 | V290 I291 Q297 G298 I299 | V290-C294 PolarHBondContact O-N 2.74Å; V290-C294 PolarHBondContact O-SG 3.16Å; I291-C294 WeakPolarHBondContact O-CB 3.41Å; I291-C294 PolarHBondContact O-N 2.69Å; C294-Q297 CarbonylContact O-C 3.55Å; C294-Q297 PolarHBondContact O-N 3.24Å; C294-G298 PolarHBondContact O-N 3.04Å; C294-G298 VanDerWaalsContact O-N 3.17Å; C294-I299 HydrophobicContact CB-CB 4.35Å; C294-I299 HydrophobicContact CB-CD1 4.45Å; C294-I299 PolarHBondContact O-N 3.16Å |
| 295 | D | 88.8 | Confident | 92.1 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 47% | 0.465 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.7 | -70.9 | -32.9 | 0 | 0 | 0 | 111.7 | I291 A292 Q297 G298 R301 | I291-D295 PolarHBondContact O-N 3.08Å; A292-D295 PolarHBondContact O-N 3.01Å; D295-Q297 PolarHBondContact O-N 3.17Å; D295-G298 PolarHBondContact O-N 3.32Å; D295-R301 IonicContact OD1-CZ 3.65Å; D295-R301 IonicContact OD1-NH1 2.74Å; D295-R301 PolarHBondContact OD1-NH1 2.91Å; D295-R301 IonicContact OD1-NH2 2.7Å; D295-R301 PolarHBondContact OD1-NH2 3.28Å; D295-R301 IonicContact OD2-NH2 2.78Å |
| 296 | K | 89.6 | Confident | 92.1 | Very high | 169 Ų | 169 | 40.5 Ų | 40.5 | 74% | 0.735 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -58.8 | -32.6 | 174.9 | -174.6 | -177.9 | 176 | -171.1 | 0 | 112.7 | A292 E293 G298 | A292-K296 WeakPolarHBondContact O-CB 3.29Å; A292-K296 PolarHBondContact O-N 3.21Å; E293-K296 PolarHBondContact O-N 2.94Å; K296-G298 VanDerWaalsContact C-N 3.33Å |
| 297 | Q | 86.9 | Confident | 91.9 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.1 | 177.2 | -68.3 | -176.1 | 38.9 | 0 | 0 | 113.9 | S255 E293 C294 D295 I299 | S255-Q297 PolarHBondContact O-OE1 3.14Å; E293-Q297 WeakPolarHBondContact O-CG 3.11Å; E293-Q297 PolarHBondContact O-N 3.11Å; E293-Q297 VanDerWaalsContact O-N 3.1Å; E293-Q297 PolarHBondContact OE1-NE2 3.3Å; C294-Q297 CarbonylContact O-C 3.55Å; C294-Q297 PolarHBondContact O-N 3.24Å; D295-Q297 PolarHBondContact O-N 3.17Å; Q297-I299 HydrophobicContact CB-CD1 4.08Å; Q297-I299 HydrophobicContact CB-CG1 3.98Å |
| 298 | G | 86.3 | Confident | 91.4 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 53% | 0.526 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 35.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C294 D295 K296 | C294-G298 PolarHBondContact O-N 3.04Å; C294-G298 VanDerWaalsContact O-N 3.17Å; D295-G298 PolarHBondContact O-N 3.32Å; K296-G298 VanDerWaalsContact C-N 3.33Å |
| 299 | I | 91.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.8 | 178.8 | -56.5 | 174.1 | 0 | 0 | 0 | 109.4 | F259 K271 M273 C294 Q297 R301 | F259-I299 HydrophobicContact CD2-CD1 3.99Å; F259-I299 HydrophobicContact CE2-CD1 4.11Å; F259-I299 HydrophobicContact CE2-CG2 4.03Å; F259-I299 HydrophobicContact CZ-CG2 4.31Å; K271-I299 HydrophobicContact CB-CB 4.48Å; K271-I299 HydrophobicContact CB-CG1 4.06Å; K271-I299 HydrophobicContact CB-CG2 4.45Å; K271-I299 HydrophobicContact CD-CG1 4.07Å; M273-I299 HydrophobicContact CB-CG2 3.84Å; M273-I299 HydrophobicContact CE-CG2 4.27Å; C294-I299 HydrophobicContact CB-CB 4.35Å; C294-I299 HydrophobicContact CB-CD1 4.45Å; C294-I299 PolarHBondContact O-N 3.16Å; Q297-I299 HydrophobicContact CB-CD1 4.08Å; Q297-I299 HydrophobicContact CB-CG1 3.98Å; I299-R301 HydrophobicContact CG2-CG 4.14Å; I299-R301 PolarHBondContact O-NH1 2.89Å |
| 300 | I | 90.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 125.3 | 173.8 | -59.9 | 167 | 0 | 0 | 0 | 108.5 | K271 V272 M273 F302 I359 | K271-I300 PolarHBondContact O-N 3.48Å; V272-I300 CarbonylContact C-O 3.59Å; V272-I300 WeakPolarHBondContact CA-O 3.48Å; M273-I300 PolarHBondContact N-O 2.75Å; I300-F302 HydrophobicContact CG2-CE2 4.1Å; I300-I359 HydrophobicContact CD1-CD1 4.01Å; I300-I359 HydrophobicContact CD1-CG1 4.37Å; I300-I359 HydrophobicContact CD1-CG2 3.56Å; I300-I359 HydrophobicContact CG2-CD1 3.93Å |
| 301 | R | 93.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.5 | -172.3 | -60.5 | 168.6 | -55.9 | -85.1 | 6.7 | 110.8 | M273 D295 I299 I327 A328 S329 H335 | M273-R301 HydrophobicContact CB-CG 4.26Å; M273-R301 CarbonylContact O-C 3.5Å; M273-R301 WeakPolarHBondContact O-CA 3.4Å; D295-R301 IonicContact OD1-CZ 3.65Å; D295-R301 IonicContact OD1-NH1 2.74Å; D295-R301 PolarHBondContact OD1-NH1 2.91Å; D295-R301 IonicContact OD1-NH2 2.7Å; D295-R301 PolarHBondContact OD1-NH2 3.28Å; D295-R301 IonicContact OD2-NH2 2.78Å; I299-R301 HydrophobicContact CG2-CG 4.14Å; I299-R301 PolarHBondContact O-NH1 2.89Å; R301-I327 VanDerWaalsContact CB-O 3.26Å; R301-I327 WeakPolarHBondContact CB-O 3.18Å; R301-I327 WeakPolarHBondContact CD-O 3.38Å; R301-I327 PolarHBondContact NE-O 2.84Å; R301-A328 WeakPolarHBondContact O-CA 3.46Å; R301-S329 PolarHBondContact N-OG 2.98Å; R301-S329 PolarHBondContact O-N 3.04Å; R301-H335 WeakPolarHBondContact O-CB 3.34Å |
| 302 | F | 94.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.3 | 169.1 | -71.1 | -92.6 | 0 | 0 | 0 | 109.9 | V272 M273 V274 V275 I300 H335 F337 L352 R355 I356 I359 | V272-F302 HydrophobicContact CG1-CD2 3.89Å; V272-F302 HydrophobicContact CG1-CE2 3.89Å; M273-F302 PolarHBondContact O-N 3.17Å; V274-F302 HydrophobicContact CG1-CB 4.33Å; V274-F302 HydrophobicContact CG2-CB 4.3Å; V274-F302 HydrophobicContact CG2-CD2 4.44Å; V275-F302 PolarHBondContact N-O 3.05Å; I300-F302 HydrophobicContact CG2-CE2 4.1Å; F302-H335 CarbonylContact C-O 2.98Å; F302-H335 VanDerWaalsContact CA-O 3.23Å; F302-H335 WeakPolarHBondContact CA-O 3.34Å; F302-H335 HydrophobicContact CD1-CB 4.2Å; F302-H335 HydrophobicContact CE1-CB 4.44Å; F302-H335 AromaticContact CE1-CD2 3.57Å; F302-H335 AromaticContact CE2-CD2 3.96Å; F302-H335 AromaticContact CZ-CD2 3.53Å; F302-F337 AromaticContact CD1-CE2 3.88Å; F302-F337 HydrophobicContact CD1-CE2 3.88Å; F302-F337 HydrophobicContact CE1-CE2 4.3Å; F302-L352 HydrophobicContact CB-CD1 4.13Å; F302-L352 HydrophobicContact CD1-CD1 3.51Å; F302-L352 HydrophobicContact CD2-CD1 4.37Å; F302-L352 HydrophobicContact CE1-CD1 3.92Å; F302-L352 HydrophobicContact CG-CD1 3.74Å; F302-R355 HydrophobicContact CE1-CB 4.06Å; F302-R355 HydrophobicContact CZ-CB 4.19Å; F302-I356 HydrophobicContact CD2-CG1 4.33Å; F302-I356 HydrophobicContact CE2-CG1 3.78Å; F302-I356 HydrophobicContact CZ-CG1 4.05Å; F302-I359 HydrophobicContact CE2-CD1 3.87Å; F302-I359 HydrophobicContact CZ-CD1 3.93Å |
| 303 | G | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | I324 H335 F336 F337 | G303-I324 VanDerWaalsContact CA-CG2 3.48Å; G303-H335 PolarHBondContact N-O 2.82Å; G303-F336 WeakPolarHBondContact O-CA 3.44Å; G303-F337 PolarHBondContact O-N 3.03Å |
| 304 | I | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 108.9 | 178.9 | -52.5 | -175.2 | 0 | 0 | 0 | 109 | F189 V274 V275 V276 T277 F337 V339 L345 I348 L352 | F189-I304 HydrophobicContact CE2-CD1 4.25Å; F189-I304 HydrophobicContact CZ-CD1 3.93Å; V274-I304 HydrophobicContact CG1-CD1 3.75Å; V274-I304 HydrophobicContact CG1-CG1 4.35Å; V275-I304 PolarHBondContact O-N 2.87Å; V276-I304 HydrophobicContact CB-CB 4.46Å; V276-I304 HydrophobicContact CG1-CB 4.26Å; V276-I304 HydrophobicContact CG1-CG2 4.23Å; V276-I304 HydrophobicContact CG2-CB 4.18Å; V276-I304 HydrophobicContact CG2-CD1 4.02Å; V276-I304 HydrophobicContact CG2-CG1 4.4Å; T277-I304 PolarHBondContact N-O 2.93Å; T277-I304 VanDerWaalsContact N-O 3.14Å; I304-F337 WeakPolarHBondContact CA-O 3.45Å; I304-F337 HydrophobicContact CG1-CB 4.29Å; I304-F337 HydrophobicContact CG1-CD2 4.39Å; I304-F337 HydrophobicContact CG2-CB 4.42Å; I304-V339 HydrophobicContact CG2-CG2 3.92Å; I304-L345 HydrophobicContact CG2-CD2 3.82Å; I304-I348 HydrophobicContact CD1-CD1 3.88Å; I304-I348 HydrophobicContact CG1-CD1 4.44Å; I304-I348 HydrophobicContact CG2-CD1 3.66Å; I304-L352 HydrophobicContact CD1-CD2 3.91Å |
| 305 | A | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L307 I324 F336 F337 V339 | A305-L307 HydrophobicContact CB-CD2 4.35Å; A305-I324 HydrophobicContact CB-CB 4.18Å; A305-I324 HydrophobicContact CB-CG1 3.91Å; A305-I324 HydrophobicContact CB-CG2 4.23Å; A305-F336 HydrophobicContact CB-CE2 4.12Å; A305-F336 HydrophobicContact CB-CZ 4.32Å; A305-F337 PolarHBondContact N-O 2.99Å; A305-V339 PolarHBondContact O-N 2.71Å |
| 306 | V | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 111.5 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 109 | V276 T277 D278 E342 L345 | V276-V306 HydrophobicContact CG1-CG2 3.94Å; T277-V306 PolarHBondContact O-N 3.2Å; D278-V306 VanDerWaalsContact CA-O 3.24Å; D278-V306 WeakPolarHBondContact CA-O 3.13Å; D278-V306 HydrophobicContact CB-CB 3.88Å; D278-V306 HydrophobicContact CB-CG1 4.31Å; D278-V306 VanDerWaalsContact CB-O 3.25Å; D278-V306 WeakPolarHBondContact CB-O 3.39Å; V306-E342 HydrophobicContact CG1-CB 4.44Å; V306-E342 HydrophobicContact CG1-CG 3.84Å; V306-L345 HydrophobicContact CG1-CD1 4.24Å; V306-L345 HydrophobicContact CG2-CD1 3.81Å; V306-L345 HydrophobicContact CG2-CD2 3.86Å; V306-L345 HydrophobicContact CG2-CG 4.06Å |
| 307 | L | 87.6 | Confident | 87.6 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | trans | -95.1 | 8.7 | -168.5 | -54.5 | -179.3 | 0 | 0 | 0 | 113.7 | A305 Y309 Y310 T311 T317 L320 I321 V339 S340 | A305-L307 HydrophobicContact CB-CD2 4.35Å; L307-Y309 PolarHBondContact O-N 3.06Å; L307-Y310 PolarHBondContact O-N 2.91Å; L307-T311 WeakPolarHBondContact O-CB 3.2Å; L307-T311 PolarHBondContact O-N 2.86Å; L307-T311 PolarHBondContact O-OG1 2.77Å; L307-T317 HydrophobicContact CB-CG2 4.42Å; L307-T317 HydrophobicContact CD1-CG2 4.33Å; L307-T317 HydrophobicContact CD2-CG2 3.93Å; L307-T317 HydrophobicContact CG-CG2 4.46Å; L307-L320 HydrophobicContact CD2-CD2 3.83Å; L307-I321 HydrophobicContact CD1-CD1 4.39Å; L307-I321 HydrophobicContact CD2-CG1 4.37Å; L307-V339 WeakPolarHBondContact CB-O 3.32Å; L307-V339 WeakPolarHBondContact CG-O 3.32Å; L307-V339 PolarHBondContact N-O 2.86Å; L307-S340 CarbonylContact C-O 3.54Å; L307-S340 VanDerWaalsContact C-O 3.27Å | ||
| 308 | G | 83.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -49.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y310 T311 R312 S340 | G308-Y310 PolarHBondContact O-N 2.83Å; G308-T311 PolarHBondContact O-N 2.86Å; G308-R312 VanDerWaalsContact C-NH2 3.26Å; G308-R312 WeakPolarHBondContact O-CB 3.04Å; G308-R312 VanDerWaalsContact O-CG 3.29Å; G308-R312 WeakPolarHBondContact O-CG 3.38Å; G308-R312 PolarHBondContact O-N 2.81Å; G308-R312 PolarHBondContact O-NE 2.05Å; G308-S340 WeakPolarHBondContact CA-O 3.47Å; G308-S340 PolarHBondContact N-O 2.83Å |
| 309 | Y | 82.3 | Confident | 87.6 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 37% | 0.373 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 178.3 | 179.1 | -97.7 | 0 | 0 | 0 | 112.5 | L307 N313 I315 | L307-Y309 PolarHBondContact O-N 3.06Å; Y309-N313 WeakPolarHBondContact CD2-ND2 3.38Å; Y309-N313 VanDerWaalsContact CE2-ND2 3.31Å; Y309-N313 WeakPolarHBondContact CE2-ND2 3.31Å; Y309-N313 WeakPolarHBondContact O-CB 3.33Å; Y309-N313 PolarHBondContact O-N 2.92Å; Y309-N313 VanDerWaalsContact O-N 3.15Å; Y309-N313 PolarHBondContact O-ND2 3.42Å; Y309-I315 HydrophobicContact CE1-CD1 4.01Å |
| 310 | Y | 84.7 | Confident | 87.4 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.2 | -40.8 | -179.6 | -78.8 | -110.3 | 0 | 0 | 0 | 112.1 | D278 E280 L307 G308 N313 N314 I315 D316 T317 L320 | D278-Y310 WeakPolarHBondContact O-CD2 3.48Å; D278-Y310 WeakPolarHBondContact O-CE2 3.49Å; E280-Y310 WeakPolarHBondContact CG-OH 3.25Å; E280-Y310 PolarHBondContact N-OH 3.1Å; E280-Y310 PolarHBondContact OE1-OH 2.83Å; L307-Y310 PolarHBondContact O-N 2.91Å; G308-Y310 PolarHBondContact O-N 2.83Å; Y310-N313 CarbonylContact O-C 3.56Å; Y310-N313 PolarHBondContact O-N 3.18Å; Y310-N314 WeakPolarHBondContact O-CA 3.37Å; Y310-N314 PolarHBondContact O-N 3.35Å; Y310-I315 HydrophobicContact CD1-CB 3.69Å; Y310-I315 HydrophobicContact CD1-CG2 3.5Å; Y310-I315 VanDerWaalsContact CD1-CG2 3.5Å; Y310-I315 HydrophobicContact CE1-CB 4.35Å; Y310-I315 HydrophobicContact CE1-CG2 3.67Å; Y310-I315 HydrophobicContact CG-CB 4.27Å; Y310-I315 HydrophobicContact CG-CG2 4.47Å; Y310-I315 PolarHBondContact O-N 2.94Å; Y310-D316 WeakPolarHBondContact CD1-O 3.11Å; Y310-D316 WeakPolarHBondContact CE1-O 3.28Å; Y310-T317 HydrophobicContact CD1-CG2 4.15Å; Y310-T317 HydrophobicContact CG-CG2 4.13Å; Y310-L320 HydrophobicContact CD2-CD2 3.99Å; Y310-L320 HydrophobicContact CE2-CD2 3.78Å |
| 311 | T | 81.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.5 | -43.7 | 179.1 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | L307 G308 N313 N314 | L307-T311 WeakPolarHBondContact O-CB 3.2Å; L307-T311 PolarHBondContact O-N 2.86Å; L307-T311 PolarHBondContact O-OG1 2.77Å; G308-T311 PolarHBondContact O-N 2.86Å; T311-N313 VanDerWaalsContact C-N 3.29Å; T311-N313 PolarHBondContact O-N 2.91Å; T311-N314 PolarHBondContact O-N 3.11Å |
| 312 | R | 81.3 | Confident | 87.1 | Confident | 122 Ų | 122 | 56.4 Ų | 56.4 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -32.4 | 177.9 | -73.6 | -176.6 | -67.3 | -96.8 | 1.7 | 113 | Y181 G308 E342 | Y181-R312 PolarHBondContact O-NH2 3.09Å; G308-R312 VanDerWaalsContact C-NH2 3.26Å; G308-R312 WeakPolarHBondContact O-CB 3.04Å; G308-R312 VanDerWaalsContact O-CG 3.29Å; G308-R312 WeakPolarHBondContact O-CG 3.38Å; G308-R312 PolarHBondContact O-N 2.81Å; G308-R312 PolarHBondContact O-NE 2.05Å; R312-E342 IonicContact CZ-OE1 2.86Å; R312-E342 IonicContact CZ-OE2 3.46Å; R312-E342 IonicContact NH1-OE1 3.91Å; R312-E342 IonicContact NH1-OE2 3.83Å; R312-E342 PolarHBondContact NH1-OE2 2.98Å; R312-E342 VanDerWaalsContact NH2-CD 3.33Å; R312-E342 IonicContact NH2-OE1 3.73Å; R312-E342 PolarHBondContact NH2-OE1 2.03Å; R312-E342 IonicContact NH2-OE2 3.88Å; R312-E342 PolarHBondContact NH2-OE2 3.37Å |
| 313 | N | 83.1 | Confident | 86.9 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 5.4 | -178.6 | -65.1 | -65.8 | 0 | 0 | 0 | 113.9 | Y309 Y310 T311 I315 | Y309-N313 WeakPolarHBondContact CD2-ND2 3.38Å; Y309-N313 VanDerWaalsContact CE2-ND2 3.31Å; Y309-N313 WeakPolarHBondContact CE2-ND2 3.31Å; Y309-N313 WeakPolarHBondContact O-CB 3.33Å; Y309-N313 PolarHBondContact O-N 2.92Å; Y309-N313 VanDerWaalsContact O-N 3.15Å; Y309-N313 PolarHBondContact O-ND2 3.42Å; Y310-N313 CarbonylContact O-C 3.56Å; Y310-N313 PolarHBondContact O-N 3.18Å; T311-N313 VanDerWaalsContact C-N 3.29Å; T311-N313 PolarHBondContact O-N 2.91Å; N313-I315 HydrophobicContact CB-CD1 3.71Å; N313-I315 HydrophobicContact CB-CG1 3.84Å; N313-I315 PolarHBondContact O-N 3.45Å |
| 314 | N | 81.8 | Confident | 86.8 | Confident | 158 Ų | 158 | 56.9 Ų | 56.9 | 85% | 0.845 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 43.6 | 180 | -158.3 | 40 | 0 | 0 | 0 | 114.1 | Y310 T311 | Y310-N314 WeakPolarHBondContact O-CA 3.37Å; Y310-N314 PolarHBondContact O-N 3.35Å; T311-N314 PolarHBondContact O-N 3.11Å |
| 315 | I | 84.5 | Confident | 86.7 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | trans | -98.9 | 143.6 | -178.5 | -54.6 | 174.7 | 0 | 0 | 0 | 109.8 | Y309 Y310 N313 T317 | Y309-I315 HydrophobicContact CE1-CD1 4.01Å; Y310-I315 HydrophobicContact CD1-CB 3.69Å; Y310-I315 HydrophobicContact CD1-CG2 3.5Å; Y310-I315 VanDerWaalsContact CD1-CG2 3.5Å; Y310-I315 HydrophobicContact CE1-CB 4.35Å; Y310-I315 HydrophobicContact CE1-CG2 3.67Å; Y310-I315 HydrophobicContact CG-CB 4.27Å; Y310-I315 HydrophobicContact CG-CG2 4.47Å; Y310-I315 PolarHBondContact O-N 2.94Å; N313-I315 HydrophobicContact CB-CD1 3.71Å; N313-I315 HydrophobicContact CB-CG1 3.84Å; N313-I315 PolarHBondContact O-N 3.45Å; I315-T317 PolarHBondContact O-N 3.2Å | ||
| 316 | D | 85.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 63.3 Ų | 63.3 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | trans | -64.7 | 128.4 | 176.6 | -166.8 | -9.4 | 0 | 0 | 0 | 110.9 | Y310 K318 | Y310-D316 WeakPolarHBondContact CD1-O 3.11Å; Y310-D316 WeakPolarHBondContact CE1-O 3.28Å; D316-K318 VanDerWaalsContact OD1-CG 3.29Å; D316-K318 WeakPolarHBondContact OD1-CG 3.05Å; D316-K318 PolarHBondContact OD1-N 3.19Å; D316-K318 VanDerWaalsContact OD1-N 3.12Å; D316-K318 WeakPolarHBondContact OD2-CD 3.32Å; D316-K318 IonicContact OD2-NZ 3.17Å; D316-K318 PolarHBondContact OD2-NZ 3.19Å | ||
| 317 | T | 88 | Confident | 86.7 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | trans | -92.1 | -4.5 | -174.8 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | L307 Y310 I315 N319 L320 I321 | L307-T317 HydrophobicContact CB-CG2 4.42Å; L307-T317 HydrophobicContact CD1-CG2 4.33Å; L307-T317 HydrophobicContact CD2-CG2 3.93Å; L307-T317 HydrophobicContact CG-CG2 4.46Å; Y310-T317 HydrophobicContact CD1-CG2 4.15Å; Y310-T317 HydrophobicContact CG-CG2 4.13Å; I315-T317 PolarHBondContact O-N 3.2Å; T317-N319 PolarHBondContact O-N 3.28Å; T317-L320 PolarHBondContact O-N 3Å; T317-I321 WeakPolarHBondContact O-CG1 3.46Å; T317-I321 PolarHBondContact O-N 3.27Å | ||
| 318 | K | 87.6 | Confident | 87 | Confident | 129 Ų | 129 | 62.8 Ų | 62.8 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.9 | -44.5 | -174 | -76.2 | 173 | -160.8 | 140.7 | 0 | 113.9 | D316 I321 Q322 | D316-K318 VanDerWaalsContact OD1-CG 3.29Å; D316-K318 WeakPolarHBondContact OD1-CG 3.05Å; D316-K318 PolarHBondContact OD1-N 3.19Å; D316-K318 VanDerWaalsContact OD1-N 3.12Å; D316-K318 WeakPolarHBondContact OD2-CD 3.32Å; D316-K318 IonicContact OD2-NZ 3.17Å; D316-K318 PolarHBondContact OD2-NZ 3.19Å; K318-I321 PolarHBondContact O-N 2.87Å; K318-Q322 WeakPolarHBondContact O-CB 3.2Å; K318-Q322 WeakPolarHBondContact O-CG 3.33Å; K318-Q322 PolarHBondContact O-N 3.45Å |
| 319 | N | 86.9 | Confident | 87.2 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.6 | -47.8 | -176.2 | -69.8 | -9.1 | 0 | 0 | 0 | 111.1 | E280 T317 I321 Q322 E323 | E280-N319 VanDerWaalsContact CD-CB 3.48Å; E280-N319 HydrophobicContact CG-CB 4.29Å; E280-N319 VanDerWaalsContact OE2-CB 3.3Å; E280-N319 WeakPolarHBondContact OE2-CB 3.4Å; T317-N319 PolarHBondContact O-N 3.28Å; N319-I321 PolarHBondContact O-N 2.74Å; N319-Q322 PolarHBondContact O-N 3.07Å; N319-E323 PolarHBondContact O-N 3.36Å |
| 320 | L | 86.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 173.6 | 178.7 | 60.8 | 0 | 0 | 0 | 111.5 | E280 L307 Y310 T317 Q322 E323 I324 | E280-L320 HydrophobicContact CG-CB 4.14Å; L307-L320 HydrophobicContact CD2-CD2 3.83Å; Y310-L320 HydrophobicContact CD2-CD2 3.99Å; Y310-L320 HydrophobicContact CE2-CD2 3.78Å; T317-L320 PolarHBondContact O-N 3Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; L320-Q322 PolarHBondContact O-N 3.45Å; L320-E323 PolarHBondContact O-N 3.21Å; L320-I324 HydrophobicContact CD1-CD1 4.11Å; L320-I324 HydrophobicContact CD1-CG1 3.92Å; L320-I324 HydrophobicContact CG-CG1 4.4Å; L320-I324 WeakPolarHBondContact O-CG1 3.41Å; L320-I324 PolarHBondContact O-N 3.3Å |
| 321 | I | 88.6 | Confident | 86.8 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 18% | 0.179 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 179.7 | -69.5 | 168.9 | 0 | 0 | 0 | 111.4 | L307 T317 K318 N319 K325 F336 | L307-I321 HydrophobicContact CD1-CD1 4.39Å; L307-I321 HydrophobicContact CD2-CG1 4.37Å; T317-I321 WeakPolarHBondContact O-CG1 3.46Å; T317-I321 PolarHBondContact O-N 3.27Å; K318-I321 PolarHBondContact O-N 2.87Å; N319-I321 PolarHBondContact O-N 2.74Å; I321-K325 HydrophobicContact CG2-CD 4.19Å; I321-K325 WeakPolarHBondContact O-CB 3.49Å; I321-K325 VanDerWaalsContact O-CG 3.26Å; I321-K325 WeakPolarHBondContact O-CG 3.37Å; I321-K325 PolarHBondContact O-N 2.92Å; I321-F336 HydrophobicContact CG2-CE1 4.34Å; I321-F336 HydrophobicContact CG2-CZ 3.9Å |
| 322 | Q | 89.3 | Confident | 86.7 | Confident | 133 Ų | 133 | 63.1 Ų | 63.1 | 62% | 0.621 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 176.1 | -76.9 | -178.2 | -9.3 | 0 | 0 | 112.1 | K318 N319 L320 K325 S326 | K318-Q322 WeakPolarHBondContact O-CB 3.2Å; K318-Q322 WeakPolarHBondContact O-CG 3.33Å; K318-Q322 PolarHBondContact O-N 3.45Å; N319-Q322 PolarHBondContact O-N 3.07Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; L320-Q322 PolarHBondContact O-N 3.45Å; Q322-K325 PolarHBondContact O-N 3.36Å; Q322-S326 PolarHBondContact O-N 2.97Å; Q322-S326 VanDerWaalsContact O-N 3.09Å |
| 323 | E | 91.3 | Very high | 86.6 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 176.3 | -171.5 | 178.4 | 103 | 0 | 0 | 111.2 | F248 S281 N319 L320 K325 S326 I327 | F248-E323 HydrophobicContact CE2-CG 4.14Å; F248-E323 HydrophobicContact CZ-CG 3.98Å; S281-E323 VanDerWaalsContact CB-OE1 3.26Å; S281-E323 WeakPolarHBondContact CB-OE1 3.3Å; S281-E323 PolarHBondContact N-OE1 3.2Å; S281-E323 PolarHBondContact N-OE2 3.18Å; N319-E323 PolarHBondContact O-N 3.36Å; L320-E323 PolarHBondContact O-N 3.21Å; E323-K325 VanDerWaalsContact C-N 3.33Å; E323-K325 PolarHBondContact O-N 3.21Å; E323-S326 WeakPolarHBondContact O-CA 3.23Å; E323-S326 WeakPolarHBondContact O-CB 3.28Å; E323-S326 PolarHBondContact O-N 3.18Å; E323-S326 PolarHBondContact O-OG 3.09Å; E323-I327 PolarHBondContact O-N 3Å |
| 324 | I | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.5 | -32.7 | -178.3 | -55.9 | -41.5 | 0 | 0 | 0 | 112 | T277 G303 A305 L320 S326 I327 A328 F336 | T277-I324 HydrophobicContact CG2-CD1 3.18Å; T277-I324 HydrophobicContact CG2-CG1 4.04Å; G303-I324 VanDerWaalsContact CA-CG2 3.48Å; A305-I324 HydrophobicContact CB-CB 4.18Å; A305-I324 HydrophobicContact CB-CG1 3.91Å; A305-I324 HydrophobicContact CB-CG2 4.23Å; L320-I324 HydrophobicContact CD1-CD1 4.11Å; L320-I324 HydrophobicContact CD1-CG1 3.92Å; L320-I324 HydrophobicContact CG-CG1 4.4Å; L320-I324 WeakPolarHBondContact O-CG1 3.41Å; L320-I324 PolarHBondContact O-N 3.3Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.27Å; I324-I327 HydrophobicContact CD1-CD1 3.78Å; I324-I327 PolarHBondContact O-N 3.43Å; I324-A328 PolarHBondContact O-N 2.89Å; I324-F336 HydrophobicContact CB-CD2 4.3Å; I324-F336 HydrophobicContact CB-CE2 3.82Å; I324-F336 HydrophobicContact CG2-CD2 3.81Å; I324-F336 HydrophobicContact CG2-CE2 3.66Å |
| 325 | K | 90.9 | Very high | 86.5 | Confident | 97 Ų | 97 | 56.7 Ų | 56.7 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 169.4 | -78.9 | 179.7 | 177.1 | -173.2 | 0 | 112.2 | I321 Q322 E323 I327 A328 T332 F336 | I321-K325 HydrophobicContact CG2-CD 4.19Å; I321-K325 WeakPolarHBondContact O-CB 3.49Å; I321-K325 VanDerWaalsContact O-CG 3.26Å; I321-K325 WeakPolarHBondContact O-CG 3.37Å; I321-K325 PolarHBondContact O-N 2.92Å; Q322-K325 PolarHBondContact O-N 3.36Å; E323-K325 VanDerWaalsContact C-N 3.33Å; E323-K325 PolarHBondContact O-N 3.21Å; K325-I327 PolarHBondContact O-N 2.86Å; K325-A328 PolarHBondContact O-N 3.43Å; K325-T332 HydrophobicContact CB-CG2 4.06Å; K325-T332 HydrophobicContact CG-CG2 3.95Å; K325-F336 HydrophobicContact CG-CB 4.5Å; K325-F336 HydrophobicContact CG-CD1 4.09Å; K325-F336 HydrophobicContact CG-CD2 3.85Å; K325-F336 HydrophobicContact CG-CE1 4.28Å; K325-F336 HydrophobicContact CG-CE2 4.07Å; K325-F336 HydrophobicContact CG-CG 3.86Å; K325-F336 HydrophobicContact CG-CZ 4.27Å |
| 326 | S | 91 | Very high | 86.9 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.2 | -17.9 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 114.1 | R287 Q322 E323 I324 | R287-S326 VanDerWaalsContact CD-OG 3.31Å; R287-S326 WeakPolarHBondContact CD-OG 3.23Å; Q322-S326 PolarHBondContact O-N 2.97Å; Q322-S326 VanDerWaalsContact O-N 3.09Å; E323-S326 WeakPolarHBondContact O-CA 3.23Å; E323-S326 WeakPolarHBondContact O-CB 3.28Å; E323-S326 PolarHBondContact O-N 3.18Å; E323-S326 PolarHBondContact O-OG 3.09Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.27Å |
| 327 | I | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -80.8 | -37.1 | 173.4 | -65.3 | 168.2 | 0 | 0 | 0 | 110.9 | T247 F248 I251 V275 I291 R301 E323 I324 K325 | T247-I327 HydrophobicContact CG2-CD1 3.88Å; F248-I327 HydrophobicContact CE1-CD1 4.28Å; F248-I327 HydrophobicContact CE1-CG1 3.84Å; F248-I327 HydrophobicContact CZ-CD1 4.34Å; F248-I327 HydrophobicContact CZ-CG1 4.16Å; I251-I327 HydrophobicContact CD1-CD1 3.95Å; I251-I327 HydrophobicContact CD1-CG1 3.99Å; I251-I327 HydrophobicContact CD1-CG2 3.85Å; V275-I327 HydrophobicContact CB-CG2 4.16Å; V275-I327 HydrophobicContact CG1-CD1 4.44Å; V275-I327 HydrophobicContact CG2-CG2 3.87Å; I291-I327 HydrophobicContact CD1-CG1 4.47Å; R301-I327 VanDerWaalsContact CB-O 3.26Å; R301-I327 WeakPolarHBondContact CB-O 3.18Å; R301-I327 WeakPolarHBondContact CD-O 3.38Å; R301-I327 PolarHBondContact NE-O 2.84Å; E323-I327 PolarHBondContact O-N 3Å; I324-I327 HydrophobicContact CD1-CD1 3.78Å; I324-I327 PolarHBondContact O-N 3.43Å; K325-I327 PolarHBondContact O-N 2.86Å |
| 328 | A | 92.4 | Very high | 87.1 | Confident | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64.6 | 144.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R301 I324 K325 T332 H335 F336 | R301-A328 WeakPolarHBondContact O-CA 3.46Å; I324-A328 PolarHBondContact O-N 2.89Å; K325-A328 PolarHBondContact O-N 3.43Å; A328-T332 HydrophobicContact CB-CG2 4.36Å; A328-H335 HydrophobicContact CB-CB 3.95Å; A328-F336 HydrophobicContact CB-CB 4.26Å |
| 329 | S | 89 | Confident | 87.1 | Confident | 13 Ų | 13 | 48 Ų | 48 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -74.9 | 155.4 | 174.3 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | R301 P331 T332 H335 | R301-S329 PolarHBondContact N-OG 2.98Å; R301-S329 PolarHBondContact O-N 3.04Å; S329-P331 CarbonylContact O-C 3.53Å; S329-T332 PolarHBondContact O-N 2.75Å; S329-H335 WeakPolarHBondContact O-CB 3.35Å; S329-H335 PolarHBondContact O-ND1 2.87Å |
| 330 | E | 79.4 | Confident | 87 | Confident | 146 Ų | 146 | 46.9 Ų | 46.9 | 68% | 0.682 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -73.9 | 144.5 | 172.8 | -66.1 | -62.2 | 171.4 | 0 | 0 | 111.9 | T332 | E330-T332 PolarHBondContact OE1-OG1 2.79Å; E330-T332 PolarHBondContact OE2-N 2.83Å; E330-T332 PolarHBondContact OE2-OG1 2.88Å; E330-T332 VanDerWaalsContact OE2-OG1 3.11Å |
| 331 | P | 78.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 20% | 0.201 | 26% | 0.26 | C | S | . | . | S | Bend | cis | -74 | 129.5 | -7.1 | 31 | -34.7 | 0 | 0 | 0 | 112 | S329 E333 K334 H335 | S329-P331 CarbonylContact O-C 3.53Å; P331-E333 VanDerWaalsContact C-N 3.28Å; P331-E333 WeakPolarHBondContact CB-OE1 3.28Å; P331-E333 PolarHBondContact O-N 3.3Å; P331-E333 VanDerWaalsContact O-N 3.17Å; P331-K334 HydrophobicContact CG-CB 4.36Å; P331-K334 HydrophobicContact CG-CD 3.68Å; P331-K334 HydrophobicContact CG-CG 3.95Å; P331-K334 PolarHBondContact O-N 3.12Å; P331-H335 PolarHBondContact O-ND1 2.91Å; P331-H335 VanDerWaalsContact O-ND1 3.14Å |
| 332 | T | 79.9 | Confident | 86.9 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.5 | -35.9 | -169.6 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | K325 A328 S329 E330 K334 H335 F336 | K325-T332 HydrophobicContact CB-CG2 4.06Å; K325-T332 HydrophobicContact CG-CG2 3.95Å; A328-T332 HydrophobicContact CB-CG2 4.36Å; S329-T332 PolarHBondContact O-N 2.75Å; E330-T332 PolarHBondContact OE1-OG1 2.79Å; E330-T332 PolarHBondContact OE2-N 2.83Å; E330-T332 PolarHBondContact OE2-OG1 2.88Å; E330-T332 VanDerWaalsContact OE2-OG1 3.11Å; T332-K334 PolarHBondContact O-N 3.43Å; T332-H335 PolarHBondContact O-N 2.9Å; T332-F336 HydrophobicContact CG2-CB 4.04Å; T332-F336 VanDerWaalsContact O-CB 3.27Å; T332-F336 WeakPolarHBondContact O-CB 3.4Å; T332-F336 PolarHBondContact O-N 2.84Å |
| 333 | E | 77.9 | Confident | 86.6 | Confident | 138 Ų | 138 | 46 Ų | 46 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.9 | -22.1 | 179.9 | 66.3 | -83.1 | -170.5 | 0 | 0 | 114.2 | P331 R355 | P331-E333 VanDerWaalsContact C-N 3.28Å; P331-E333 WeakPolarHBondContact CB-OE1 3.28Å; P331-E333 PolarHBondContact O-N 3.3Å; P331-E333 VanDerWaalsContact O-N 3.17Å; E333-R355 PolarHBondContact O-NH1 2.9Å |
| 334 | K | 77 | Confident | 86.4 | Confident | 83 Ų | 83 | 47.5 Ų | 47.5 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -87.7 | -23.8 | 175.1 | -65.1 | -173.4 | -170.5 | 165.5 | 0 | 112.6 | P331 T332 R355 G366 D367 | P331-K334 HydrophobicContact CG-CB 4.36Å; P331-K334 HydrophobicContact CG-CD 3.68Å; P331-K334 HydrophobicContact CG-CG 3.95Å; P331-K334 PolarHBondContact O-N 3.12Å; T332-K334 PolarHBondContact O-N 3.43Å; K334-R355 VanDerWaalsContact C-NH1 3.27Å; K334-R355 WeakPolarHBondContact O-CD 3.42Å; K334-R355 PolarHBondContact O-NH1 3.33Å; K334-G366 PolarHBondContact NZ-O 3.3Å; K334-D367 IonicContact NZ-OD1 3.45Å |
| 335 | H | 86.9 | Confident | 86.1 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -111.3 | -9.1 | -171.6 | -59.7 | 105.4 | 0 | 0 | 0 | 114.2 | R301 F302 G303 A328 S329 P331 T332 | R301-H335 WeakPolarHBondContact O-CB 3.34Å; F302-H335 CarbonylContact C-O 2.98Å; F302-H335 VanDerWaalsContact CA-O 3.23Å; F302-H335 WeakPolarHBondContact CA-O 3.34Å; F302-H335 HydrophobicContact CD1-CB 4.2Å; F302-H335 HydrophobicContact CE1-CB 4.44Å; F302-H335 AromaticContact CE1-CD2 3.57Å; F302-H335 AromaticContact CE2-CD2 3.96Å; F302-H335 AromaticContact CZ-CD2 3.53Å; G303-H335 PolarHBondContact N-O 2.82Å; A328-H335 HydrophobicContact CB-CB 3.95Å; S329-H335 WeakPolarHBondContact O-CB 3.35Å; S329-H335 PolarHBondContact O-ND1 2.87Å; P331-H335 PolarHBondContact O-ND1 2.91Å; P331-H335 VanDerWaalsContact O-ND1 3.14Å; T332-H335 PolarHBondContact O-N 2.9Å |
| 336 | F | 91.6 | Very high | 85.8 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.1 | 176.6 | 176 | -105.3 | 0 | 0 | 0 | 112.3 | G303 A305 I321 I324 K325 A328 T332 N338 | G303-F336 WeakPolarHBondContact O-CA 3.44Å; A305-F336 HydrophobicContact CB-CE2 4.12Å; A305-F336 HydrophobicContact CB-CZ 4.32Å; I321-F336 HydrophobicContact CG2-CE1 4.34Å; I321-F336 HydrophobicContact CG2-CZ 3.9Å; I324-F336 HydrophobicContact CB-CD2 4.3Å; I324-F336 HydrophobicContact CB-CE2 3.82Å; I324-F336 HydrophobicContact CG2-CD2 3.81Å; I324-F336 HydrophobicContact CG2-CE2 3.66Å; K325-F336 HydrophobicContact CG-CB 4.5Å; K325-F336 HydrophobicContact CG-CD1 4.09Å; K325-F336 HydrophobicContact CG-CD2 3.85Å; K325-F336 HydrophobicContact CG-CE1 4.28Å; K325-F336 HydrophobicContact CG-CE2 4.07Å; K325-F336 HydrophobicContact CG-CG 3.86Å; K325-F336 HydrophobicContact CG-CZ 4.27Å; A328-F336 HydrophobicContact CB-CB 4.26Å; T332-F336 HydrophobicContact CG2-CB 4.04Å; T332-F336 VanDerWaalsContact O-CB 3.27Å; T332-F336 WeakPolarHBondContact O-CB 3.4Å; T332-F336 PolarHBondContact O-N 2.84Å; F336-N338 HydrophobicContact CE1-CB 4.05Å; F336-N338 HydrophobicContact CZ-CB 3.95Å |
| 337 | F | 89.3 | Confident | 85.4 | Confident | 19 Ų | 19 | 45.8 Ų | 45.8 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.9 | 170.8 | -65 | -92.1 | 0 | 0 | 0 | 110.2 | F302 G303 I304 A305 I348 T351 L352 R355 | F302-F337 AromaticContact CD1-CE2 3.88Å; F302-F337 HydrophobicContact CD1-CE2 3.88Å; F302-F337 HydrophobicContact CE1-CE2 4.3Å; G303-F337 PolarHBondContact O-N 3.03Å; I304-F337 WeakPolarHBondContact CA-O 3.45Å; I304-F337 HydrophobicContact CG1-CB 4.29Å; I304-F337 HydrophobicContact CG1-CD2 4.39Å; I304-F337 HydrophobicContact CG2-CB 4.42Å; A305-F337 PolarHBondContact N-O 2.99Å; F337-I348 HydrophobicContact CB-CD1 4.16Å; F337-I348 HydrophobicContact CG-CD1 4.43Å; F337-T351 HydrophobicContact CE1-CG2 3.93Å; F337-T351 HydrophobicContact CZ-CG2 4.31Å; F337-L352 HydrophobicContact CD2-CD1 4.37Å; F337-L352 HydrophobicContact CE2-CD1 3.65Å; F337-L352 HydrophobicContact CZ-CB 4.47Å; F337-L352 HydrophobicContact CZ-CD1 4.26Å; F337-R355 VanDerWaalsContact CZ-CZ 3.5Å |
| 338 | N | 88.9 | Confident | 85.1 | Confident | 99 Ų | 99 | 46.8 Ų | 46.8 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.7 | 167.8 | 65 | -24.4 | 0 | 0 | 0 | 110 | F336 | F336-N338 HydrophobicContact CE1-CB 4.05Å; F336-N338 HydrophobicContact CZ-CB 3.95Å |
| 339 | V | 88.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.6 | -178.5 | -171.3 | 0 | 0 | 0 | 0 | 107.6 | I304 A305 L307 E341 V344 L345 I348 | I304-V339 HydrophobicContact CG2-CG2 3.92Å; A305-V339 PolarHBondContact O-N 2.71Å; L307-V339 WeakPolarHBondContact CB-O 3.32Å; L307-V339 WeakPolarHBondContact CG-O 3.32Å; L307-V339 PolarHBondContact N-O 2.86Å; V339-E341 VanDerWaalsContact C-N 3.3Å; V339-E341 WeakPolarHBondContact CG1-O 3.44Å; V339-E341 PolarHBondContact O-N 3.1Å; V339-V344 HydrophobicContact CG1-CB 3.5Å; V339-V344 VanDerWaalsContact CG1-CB 3.5Å; V339-V344 HydrophobicContact CG1-CG1 3.78Å; V339-L345 HydrophobicContact CG1-CG 4.36Å; V339-L345 HydrophobicContact CG2-CD2 4.39Å; V339-I348 HydrophobicContact CG2-CD1 3.6Å; V339-I348 HydrophobicContact CG2-CG1 4.29Å; V339-I348 HydrophobicContact CG2-CG2 4.41Å |
| 340 | S | 85.3 | Confident | 84.1 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -64.2 | -34.4 | -176.6 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | L307 G308 | L307-S340 CarbonylContact C-O 3.54Å; L307-S340 VanDerWaalsContact C-O 3.27Å; G308-S340 WeakPolarHBondContact CA-O 3.47Å; G308-S340 PolarHBondContact N-O 2.83Å |
| 341 | E | 84.5 | Confident | 84.1 | Confident | 94 Ų | 94 | 43.9 Ų | 43.9 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -158.6 | 163.2 | -177.7 | 61.3 | -178.2 | -174.7 | 0 | 0 | 111 | V339 A343 V344 | V339-E341 VanDerWaalsContact C-N 3.3Å; V339-E341 WeakPolarHBondContact CG1-O 3.44Å; V339-E341 PolarHBondContact O-N 3.1Å; E341-A343 VanDerWaalsContact C-N 3.28Å; E341-A343 HydrophobicContact CG-CB 4.43Å; E341-A343 PolarHBondContact O-N 2.83Å; E341-V344 HydrophobicContact CG-CG2 3.77Å; E341-V344 PolarHBondContact O-N 3.43Å; E341-V344 VanDerWaalsContact O-N 3.09Å |
| 342 | E | 87.5 | Confident | 84.3 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.4 | -39.5 | -173.5 | -61.2 | 71.9 | -167.2 | 0 | 0 | 111.7 | P185 V306 R312 V344 L345 | P185-E342 VanDerWaalsContact CB-C 3.43Å; P185-E342 HydrophobicContact CB-CB 3.96Å; P185-E342 WeakPolarHBondContact CB-O 3.5Å; P185-E342 HydrophobicContact CG-CB 3.96Å; V306-E342 HydrophobicContact CG1-CB 4.44Å; V306-E342 HydrophobicContact CG1-CG 3.84Å; R312-E342 IonicContact CZ-OE1 2.86Å; R312-E342 IonicContact CZ-OE2 3.46Å; R312-E342 IonicContact NH1-OE1 3.91Å; R312-E342 IonicContact NH1-OE2 3.83Å; R312-E342 PolarHBondContact NH1-OE2 2.98Å; R312-E342 VanDerWaalsContact NH2-CD 3.33Å; R312-E342 IonicContact NH2-OE1 3.73Å; R312-E342 PolarHBondContact NH2-OE1 2.03Å; R312-E342 IonicContact NH2-OE2 3.88Å; R312-E342 PolarHBondContact NH2-OE2 3.37Å; E342-V344 PolarHBondContact O-N 3Å; E342-V344 VanDerWaalsContact O-N 3.11Å; E342-L345 HydrophobicContact CB-CD1 4.38Å; E342-L345 VanDerWaalsContact O-CB 3.29Å; E342-L345 WeakPolarHBondContact O-CB 3.25Å; E342-L345 WeakPolarHBondContact O-CD1 3.42Å; E342-L345 PolarHBondContact O-N 3.18Å; E342-L345 VanDerWaalsContact O-N 3.11Å |
| 343 | A | 84.1 | Confident | 84.2 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 44% | 0.438 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -58.7 | -27.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E341 S346 | E341-A343 VanDerWaalsContact C-N 3.28Å; E341-A343 HydrophobicContact CG-CB 4.43Å; E341-A343 PolarHBondContact O-N 2.83Å; A343-S346 PolarHBondContact O-OG 3.35Å |
| 344 | V | 87.3 | Confident | 83.7 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 26% | 0.255 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -83 | -15 | -176.6 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | V339 E341 E342 S346 T347 | V339-V344 HydrophobicContact CG1-CB 3.5Å; V339-V344 VanDerWaalsContact CG1-CB 3.5Å; V339-V344 HydrophobicContact CG1-CG1 3.78Å; E341-V344 HydrophobicContact CG-CG2 3.77Å; E341-V344 PolarHBondContact O-N 3.43Å; E341-V344 VanDerWaalsContact O-N 3.09Å; E342-V344 PolarHBondContact O-N 3Å; E342-V344 VanDerWaalsContact O-N 3.11Å; V344-S346 PolarHBondContact O-N 3Å; V344-S346 VanDerWaalsContact O-N 3.14Å; V344-T347 WeakPolarHBondContact CG1-OG1 3.46Å; V344-T347 WeakPolarHBondContact O-CB 3.46Å; V344-T347 PolarHBondContact O-N 3.26Å; V344-T347 PolarHBondContact O-OG1 3Å |
| 345 | L | 85.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -51.9 | -40.4 | 176.1 | -84.1 | 152.9 | 0 | 0 | 0 | 112.1 | M186 F189 V276 I304 V306 V339 E342 T347 I348 A349 | M186-L345 HydrophobicContact SD-CD1 3.63Å; F189-L345 HydrophobicContact CB-CB 4.18Å; F189-L345 WeakPolarHBondContact CD2-O 3.44Å; V276-L345 HydrophobicContact CG1-CD2 3.74Å; I304-L345 HydrophobicContact CG2-CD2 3.82Å; V306-L345 HydrophobicContact CG1-CD1 4.24Å; V306-L345 HydrophobicContact CG2-CD1 3.81Å; V306-L345 HydrophobicContact CG2-CD2 3.86Å; V306-L345 HydrophobicContact CG2-CG 4.06Å; V339-L345 HydrophobicContact CG1-CG 4.36Å; V339-L345 HydrophobicContact CG2-CD2 4.39Å; E342-L345 HydrophobicContact CB-CD1 4.38Å; E342-L345 VanDerWaalsContact O-CB 3.29Å; E342-L345 WeakPolarHBondContact O-CB 3.25Å; E342-L345 WeakPolarHBondContact O-CD1 3.42Å; E342-L345 PolarHBondContact O-N 3.18Å; E342-L345 VanDerWaalsContact O-N 3.11Å; L345-T347 PolarHBondContact O-N 2.96Å; L345-T347 VanDerWaalsContact O-N 3.15Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; L345-I348 WeakPolarHBondContact O-CG1 3.49Å; L345-I348 PolarHBondContact O-N 3.32Å; L345-A349 PolarHBondContact O-N 3.12Å |
| 346 | S | 83.6 | Confident | 82.8 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -22.5 | -179 | 83.1 | 0 | 0 | 0 | 0 | 112.9 | K192 A343 V344 | K192-S346 WeakPolarHBondContact CD-O 3.49Å; K192-S346 PolarHBondContact NZ-OG 2.69Å; A343-S346 PolarHBondContact O-OG 3.35Å; V344-S346 PolarHBondContact O-N 3Å; V344-S346 VanDerWaalsContact O-N 3.14Å |
| 347 | T | 83.7 | Confident | 81.3 | Confident | 89 Ų | 89 | 42 Ų | 42 | 55% | 0.546 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -80.1 | -29.3 | 178.7 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | V344 L345 | V344-T347 WeakPolarHBondContact CG1-OG1 3.46Å; V344-T347 WeakPolarHBondContact O-CB 3.46Å; V344-T347 PolarHBondContact O-N 3.26Å; V344-T347 PolarHBondContact O-OG1 3Å; L345-T347 PolarHBondContact O-N 2.96Å; L345-T347 VanDerWaalsContact O-N 3.15Å |
| 348 | I | 86.3 | Confident | 79.9 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -82.8 | -16.6 | 179.6 | 63.6 | 158.6 | 0 | 0 | 0 | 112.7 | F189 I304 F337 V339 L345 G350 T351 L352 | F189-I348 HydrophobicContact CE2-CG1 4.45Å; I304-I348 HydrophobicContact CD1-CD1 3.88Å; I304-I348 HydrophobicContact CG1-CD1 4.44Å; I304-I348 HydrophobicContact CG2-CD1 3.66Å; F337-I348 HydrophobicContact CB-CD1 4.16Å; F337-I348 HydrophobicContact CG-CD1 4.43Å; V339-I348 HydrophobicContact CG2-CD1 3.6Å; V339-I348 HydrophobicContact CG2-CG1 4.29Å; V339-I348 HydrophobicContact CG2-CG2 4.41Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; L345-I348 WeakPolarHBondContact O-CG1 3.49Å; L345-I348 PolarHBondContact O-N 3.32Å; I348-G350 VanDerWaalsContact C-N 3.27Å; I348-G350 PolarHBondContact O-N 3.25Å; I348-T351 PolarHBondContact O-N 3.28Å; I348-L352 WeakPolarHBondContact O-CB 3.43Å; I348-L352 PolarHBondContact O-N 3.28Å |
| 349 | A | 84.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53 | -41.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F189 K192 L193 L345 G353 | F189-A349 HydrophobicContact CD2-CB 3.88Å; F189-A349 HydrophobicContact CE2-CB 4.13Å; K192-A349 HydrophobicContact CB-CB 3.71Å; L193-A349 HydrophobicContact CB-CB 4.29Å; L345-A349 PolarHBondContact O-N 3.12Å; A349-G353 PolarHBondContact O-N 2.96Å |
| 350 | G | 76 | Confident | 76.7 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I348 K354 | I348-G350 VanDerWaalsContact C-N 3.27Å; I348-G350 PolarHBondContact O-N 3.25Å; G350-K354 WeakPolarHBondContact O-CG 3.36Å; G350-K354 PolarHBondContact O-N 3.45Å; G350-K354 VanDerWaalsContact O-N 3.16Å |
| 351 | T | 80.5 | Confident | 74.7 | Confident | 66 Ų | 66 | 40.7 Ų | 40.7 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.3 | -43.3 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111 | F337 I348 K354 R355 | F337-T351 HydrophobicContact CE1-CG2 3.93Å; F337-T351 HydrophobicContact CZ-CG2 4.31Å; I348-T351 PolarHBondContact O-N 3.28Å; T351-K354 PolarHBondContact O-N 3.32Å; T351-R355 WeakPolarHBondContact O-CG 3.37Å; T351-R355 PolarHBondContact O-N 3.07Å |
| 352 | L | 82.7 | Confident | 73.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.7 | -179.1 | 68.6 | 0 | 0 | 0 | 111 | F189 L193 V274 F302 I304 F337 I348 K354 R355 I356 | F189-L352 HydrophobicContact CE2-CD2 3.89Å; F189-L352 HydrophobicContact CZ-CD2 3.54Å; L193-L352 HydrophobicContact CD1-CD2 4.21Å; L193-L352 HydrophobicContact CD1-CG 4.38Å; L193-L352 HydrophobicContact CD2-CD2 4.26Å; V274-L352 HydrophobicContact CG1-CD2 3.89Å; V274-L352 HydrophobicContact CG2-CD2 4.38Å; F302-L352 HydrophobicContact CB-CD1 4.13Å; F302-L352 HydrophobicContact CD1-CD1 3.51Å; F302-L352 HydrophobicContact CD2-CD1 4.37Å; F302-L352 HydrophobicContact CE1-CD1 3.92Å; F302-L352 HydrophobicContact CG-CD1 3.74Å; I304-L352 HydrophobicContact CD1-CD2 3.91Å; F337-L352 HydrophobicContact CD2-CD1 4.37Å; F337-L352 HydrophobicContact CE2-CD1 3.65Å; F337-L352 HydrophobicContact CZ-CB 4.47Å; F337-L352 HydrophobicContact CZ-CD1 4.26Å; I348-L352 WeakPolarHBondContact O-CB 3.43Å; I348-L352 PolarHBondContact O-N 3.28Å; L352-K354 VanDerWaalsContact C-N 3.31Å; L352-K354 PolarHBondContact O-N 3.32Å; L352-R355 PolarHBondContact O-N 3.31Å; L352-I356 HydrophobicContact CD1-CD1 4.04Å; L352-I356 HydrophobicContact CD1-CG1 4.26Å; L352-I356 HydrophobicContact CD2-CD1 4.29Å; L352-I356 HydrophobicContact CG-CD1 3.76Å; L352-I356 HydrophobicContact CG-CG1 4.32Å; L352-I356 WeakPolarHBondContact O-CG1 3.49Å; L352-I356 PolarHBondContact O-N 3.44Å |
| 353 | G | 76.1 | Confident | 71.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.6 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | S196 A349 R355 I356 F357 | S196-G353 WeakPolarHBondContact OG-CA 3.39Å; A349-G353 PolarHBondContact O-N 2.96Å; G353-R355 PolarHBondContact O-N 3.34Å; G353-I356 PolarHBondContact O-N 2.86Å; G353-F357 WeakPolarHBondContact O-CB 3.28Å; G353-F357 PolarHBondContact O-N 3.23Å |
| 354 | K | 69.1 | Low | 69.5 | Low | 155 Ų | 155 | 44 Ų | 44 | 67% | 0.674 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.9 | -39.5 | 174.5 | -72.6 | 175.3 | -178.6 | -177.6 | 0 | 113.6 | G350 T351 L352 N358 | G350-K354 WeakPolarHBondContact O-CG 3.36Å; G350-K354 PolarHBondContact O-N 3.45Å; G350-K354 VanDerWaalsContact O-N 3.16Å; T351-K354 PolarHBondContact O-N 3.32Å; L352-K354 VanDerWaalsContact C-N 3.31Å; L352-K354 PolarHBondContact O-N 3.32Å; K354-N358 VanDerWaalsContact O-CG 3.29Å; K354-N358 PolarHBondContact O-N 3.09Å; K354-N358 VanDerWaalsContact O-N 3.09Å; K354-N358 PolarHBondContact O-OD1 2.95Å |
| 355 | R | 74 | Confident | 67.4 | Low | 81 Ų | 81 | 49.2 Ų | 49.2 | 31% | 0.306 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 177.9 | -69.9 | -165.8 | -170.4 | 172 | -4.2 | 112.1 | F302 E333 K334 F337 T351 L352 G353 N358 | F302-R355 HydrophobicContact CE1-CB 4.06Å; F302-R355 HydrophobicContact CZ-CB 4.19Å; E333-R355 PolarHBondContact O-NH1 2.9Å; K334-R355 VanDerWaalsContact C-NH1 3.27Å; K334-R355 WeakPolarHBondContact O-CD 3.42Å; K334-R355 PolarHBondContact O-NH1 3.33Å; F337-R355 VanDerWaalsContact CZ-CZ 3.5Å; T351-R355 WeakPolarHBondContact O-CG 3.37Å; T351-R355 PolarHBondContact O-N 3.07Å; L352-R355 PolarHBondContact O-N 3.31Å; G353-R355 PolarHBondContact O-N 3.34Å; R355-N358 PolarHBondContact O-N 2.98Å |
| 356 | I | 71 | Confident | 65.4 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174.8 | -67.6 | 174.7 | 0 | 0 | 0 | 110.3 | M168 I170 L197 V272 V274 F302 L352 G353 N358 I359 E360 | M168-I356 HydrophobicContact CE-CG2 3.83Å; M168-I356 HydrophobicContact SD-CG2 3.72Å; I170-I356 HydrophobicContact CD1-CG2 3.75Å; L197-I356 HydrophobicContact CD2-CG2 4.16Å; V272-I356 HydrophobicContact CG1-CD1 4.37Å; V272-I356 HydrophobicContact CG1-CG1 4.28Å; V274-I356 HydrophobicContact CG2-CD1 3.97Å; F302-I356 HydrophobicContact CD2-CG1 4.33Å; F302-I356 HydrophobicContact CE2-CG1 3.78Å; F302-I356 HydrophobicContact CZ-CG1 4.05Å; L352-I356 HydrophobicContact CD1-CD1 4.04Å; L352-I356 HydrophobicContact CD1-CG1 4.26Å; L352-I356 HydrophobicContact CD2-CD1 4.29Å; L352-I356 HydrophobicContact CG-CD1 3.76Å; L352-I356 HydrophobicContact CG-CG1 4.32Å; L352-I356 WeakPolarHBondContact O-CG1 3.49Å; L352-I356 PolarHBondContact O-N 3.44Å; G353-I356 PolarHBondContact O-N 2.86Å; I356-N358 VanDerWaalsContact C-N 3.3Å; I356-N358 PolarHBondContact O-N 3.04Å; I356-I359 VanDerWaalsContact O-CB 3.3Å; I356-I359 WeakPolarHBondContact O-CB 3.49Å; I356-I359 PolarHBondContact O-N 2.57Å; I356-E360 PolarHBondContact O-N 2.88Å |
| 357 | F | 59.5 | Low | 63.8 | Low | 36 Ų | 36 | 54 Ų | 54 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -31.3 | 178.7 | -168.2 | -87.7 | 0 | 0 | 0 | 113 | D136 Q137 G353 I359 E360 G361 | D136-F357 HydrophobicContact CB-CZ 4.24Å; Q137-F357 HydrophobicContact CG-CE1 3.55Å; Q137-F357 HydrophobicContact CG-CZ 4.2Å; G353-F357 WeakPolarHBondContact O-CB 3.28Å; G353-F357 PolarHBondContact O-N 3.23Å; F357-I359 VanDerWaalsContact C-N 3.26Å; F357-I359 PolarHBondContact O-N 3.3Å; F357-E360 WeakPolarHBondContact CD2-OE2 3.46Å; F357-E360 VanDerWaalsContact O-CB 3.31Å; F357-E360 WeakPolarHBondContact O-CB 3.32Å; F357-E360 PolarHBondContact O-N 2.78Å; F357-G361 PolarHBondContact O-N 3.15Å |
| 358 | N | 59 | Low | 62.8 | Low | 99 Ų | 99 | 52.8 Ų | 52.8 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -29.7 | 172.6 | -72.6 | -12.8 | 0 | 0 | 0 | 112.7 | K354 R355 I356 E360 G361 T362 | K354-N358 VanDerWaalsContact O-CG 3.29Å; K354-N358 PolarHBondContact O-N 3.09Å; K354-N358 VanDerWaalsContact O-N 3.09Å; K354-N358 PolarHBondContact O-OD1 2.95Å; R355-N358 PolarHBondContact O-N 2.98Å; I356-N358 VanDerWaalsContact C-N 3.3Å; I356-N358 PolarHBondContact O-N 3.04Å; N358-E360 VanDerWaalsContact C-N 3.33Å; N358-G361 PolarHBondContact O-N 3.18Å; N358-T362 PolarHBondContact O-N 2.51Å; N358-T362 VanDerWaalsContact O-N 3.08Å; N358-T362 PolarHBondContact O-OG1 3.21Å; N358-T362 VanDerWaalsContact O-OG1 3.1Å |
| 359 | I | 59.2 | Low | 62 | Low | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.1 | -34 | 175.4 | -60.6 | 166.1 | 0 | 0 | 0 | 110.7 | I300 F302 I356 F357 G361 G363 | I300-I359 HydrophobicContact CD1-CD1 4.01Å; I300-I359 HydrophobicContact CD1-CG1 4.37Å; I300-I359 HydrophobicContact CD1-CG2 3.56Å; I300-I359 HydrophobicContact CG2-CD1 3.93Å; F302-I359 HydrophobicContact CE2-CD1 3.87Å; F302-I359 HydrophobicContact CZ-CD1 3.93Å; I356-I359 VanDerWaalsContact O-CB 3.3Å; I356-I359 WeakPolarHBondContact O-CB 3.49Å; I356-I359 PolarHBondContact O-N 2.57Å; F357-I359 VanDerWaalsContact C-N 3.26Å; F357-I359 PolarHBondContact O-N 3.3Å; I359-G361 PolarHBondContact O-N 3.14Å; I359-G363 PolarHBondContact O-N 3.35Å |
| 360 | E | 50.5 | Low | 61.9 | Low | 41 Ų | 41 | 59.1 Ų | 59.1 | 19% | 0.192 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -25.7 | 172.7 | -163.4 | 173.5 | -172.1 | 0 | 0 | 112 | M168 I356 F357 N358 | M168-E360 HydrophobicContact CE-CB 4.1Å; M168-E360 HydrophobicContact CE-CG 4.28Å; I356-E360 PolarHBondContact O-N 2.88Å; F357-E360 WeakPolarHBondContact CD2-OE2 3.46Å; F357-E360 VanDerWaalsContact O-CB 3.31Å; F357-E360 WeakPolarHBondContact O-CB 3.32Å; F357-E360 PolarHBondContact O-N 2.78Å; N358-E360 VanDerWaalsContact C-N 3.33Å |
| 361 | G | 44.6 | Very low | 62.4 | Low | 17 Ų | 17 | 58.1 Ų | 58.1 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -95.6 | -19.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | F139 F357 N358 I359 | F139-G361 WeakPolarHBondContact CZ-O 3.13Å; F357-G361 PolarHBondContact O-N 3.15Å; N358-G361 PolarHBondContact O-N 3.18Å; I359-G361 PolarHBondContact O-N 3.14Å |
| 362 | T | 51.1 | Low | 62.7 | Low | 33 Ų | 33 | 55.5 Ų | 55.5 | 20% | 0.202 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -117.4 | -4.2 | -175.4 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | N358 | N358-T362 PolarHBondContact O-N 2.51Å; N358-T362 VanDerWaalsContact O-N 3.08Å; N358-T362 PolarHBondContact O-OG1 3.21Å; N358-T362 VanDerWaalsContact O-OG1 3.1Å |
| 363 | G | 51.4 | Low | 63.1 | Low | 32 Ų | 32 | 57.1 Ų | 57.1 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | trans | 81.4 | -171.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | I359 E365 | I359-G363 PolarHBondContact O-N 3.35Å; G363-E365 PolarHBondContact O-N 2.88Å | ||
| 364 | K | 43.7 | Very low | 64 | Low | 156 Ų | 156 | 57.1 Ų | 57.1 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -59.1 | -10.9 | -166 | -68.7 | -174.7 | 177 | -176.2 | 0 | 116.2 | ||
| 365 | E | 42.7 | Very low | 65.3 | Low | 151 Ų | 151 | 51 Ų | 51 | 71% | 0.706 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -117.8 | 107.7 | 178.7 | -67.6 | 176.2 | 175.5 | 0 | 0 | 106.8 | G363 D367 | G363-E365 PolarHBondContact O-N 2.88Å; E365-D367 PolarHBondContact O-N 3.36Å |
| 366 | G | 43.2 | Very low | 66.4 | Low | 26 Ų | 26 | 47.1 Ų | 47.1 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | trans | -64.6 | 33.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K334 | K334-G366 PolarHBondContact NZ-O 3.3Š| ||
| 367 | D | 50.4 | Low | 67.6 | Low | 86 Ų | 86 | 47.1 Ų | 47.1 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | trans | -96.6 | 160 | 175.2 | -85.1 | -19.9 | 0 | 0 | 0 | 111.6 | K334 E365 | K334-D367 IonicContact NZ-OD1 3.45Å; E365-D367 PolarHBondContact O-N 3.36Å | ||
| 368 | S | 62.1 | Low | 69.5 | Low | 62 Ų | 62 | 47.6 Ų | 47.6 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | trans | -41.1 | 156.5 | -172.1 | 54 | 0 | 0 | 0 | 0 | 116.4 | Q370 | S368-Q370 PolarHBondContact O-N 3.42Å; S368-Q370 VanDerWaalsContact O-N 3.16Å; S368-Q370 PolarHBondContact O-NE2 2.97Å; S368-Q370 VanDerWaalsContact O-NE2 3.08Å | ||
| 369 | F | 69.4 | Low | 71.3 | Confident | 79 Ų | 79 | 43.6 Ų | 43.6 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | trans | -41.6 | 120.1 | 170.1 | -61.6 | -65.6 | 0 | 0 | 0 | 111.8 | E372 M373 Y397 A398 W399 | F369-E372 WeakPolarHBondContact CA-OE2 2.98Å; F369-E372 HydrophobicContact CD1-CB 4.02Å; F369-E372 HydrophobicContact CD1-CG 4.4Å; F369-M373 HydrophobicContact CB-CG 4.26Å; F369-M373 HydrophobicContact CD1-CG 3.93Å; F369-M373 HydrophobicContact CD2-CG 4.14Å; F369-M373 HydrophobicContact CE1-CG 4.27Å; F369-M373 HydrophobicContact CE2-CG 4.48Å; F369-M373 HydrophobicContact CG-CG 3.85Å; F369-Y397 CarbonylContact O-C 3.36Å; F369-Y397 VanDerWaalsContact O-CA 3.3Å; F369-Y397 WeakPolarHBondContact O-CA 3.47Å; F369-A398 PolarHBondContact O-N 3.42Å; F369-W399 HydrophobicContact CD2-CH2 4.11Å; F369-W399 HydrophobicContact CD2-CZ3 4.08Å; F369-W399 HydrophobicContact CE2-CH2 4.36Å | ||
| 370 | Q | 82.9 | Confident | 73.1 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -88.5 | -77.4 | 174.2 | -59.2 | -63.8 | -44.9 | 0 | 0 | 108.8 | S368 E372 A396 Y397 | S368-Q370 PolarHBondContact O-N 3.42Å; S368-Q370 VanDerWaalsContact O-N 3.16Å; S368-Q370 PolarHBondContact O-NE2 2.97Å; S368-Q370 VanDerWaalsContact O-NE2 3.08Å; Q370-E372 WeakPolarHBondContact CA-OE2 3.45Å; Q370-E372 PolarHBondContact N-OE2 2.83Å; Q370-A396 CarbonylContact O-C 3.57Å; Q370-A396 VanDerWaalsContact O-CA 3.3Å; Q370-A396 WeakPolarHBondContact O-CA 3.49Å; Q370-Y397 HydrophobicContact CB-CD1 4.39Å; Q370-Y397 HydrophobicContact CB-CE1 4.42Å; Q370-Y397 PolarHBondContact O-N 3.48Å |
| 371 | M | 87.6 | Confident | 75.2 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -121.6 | -3.4 | -174.2 | -67.5 | -61.2 | -63.1 | 0 | 0 | 113.2 | A160 Q162 M373 S374 A396 Y397 I413 | A160-M371 HydrophobicContact CB-CE 3.59Å; Q162-M371 VanDerWaalsContact NE2-C 3.33Å; Q162-M371 PolarHBondContact NE2-O 2.92Å; M371-M373 VanDerWaalsContact C-N 3.25Å; M371-M373 PolarHBondContact O-N 2.85Å; M371-S374 VanDerWaalsContact CE-CB 3.48Å; M371-S374 WeakPolarHBondContact O-CB 3.25Å; M371-S374 PolarHBondContact O-N 3.31Å; M371-S374 VanDerWaalsContact O-N 3.1Å; M371-S374 PolarHBondContact O-OG 3.44Å; M371-A396 HydrophobicContact CE-CB 4.42Å; M371-A396 HydrophobicContact SD-CB 3.59Å; M371-A396 VanDerWaalsContact SD-CB 3.59Å; M371-Y397 HydrophobicContact SD-CE1 4.43Å; M371-Y397 HydrophobicContact SD-CE2 4.42Å; M371-I413 HydrophobicContact CE-CD1 3.95Å; M371-I413 HydrophobicContact CE-CG2 3.63Å; M371-I413 HydrophobicContact SD-CG2 4.02Å |
| 372 | E | 86.8 | Confident | 77.5 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.3 | 179.2 | -58.3 | 78.1 | -174.9 | 0 | 0 | 111.3 | F139 Y140 Q162 F369 Q370 | F139-E372 CarbonylContact C-O 3.41Å; F139-E372 HydrophobicContact CB-CB 4.22Å; F139-E372 WeakPolarHBondContact CB-O 3.03Å; F139-E372 HydrophobicContact CD1-CB 3.68Å; F139-E372 HydrophobicContact CD1-CG 4.07Å; F139-E372 HydrophobicContact CD2-CB 4.32Å; F139-E372 HydrophobicContact CD2-CG 4.21Å; F139-E372 HydrophobicContact CE1-CB 4.09Å; F139-E372 HydrophobicContact CE1-CG 4.01Å; F139-E372 HydrophobicContact CE2-CG 4.15Å; F139-E372 HydrophobicContact CG-CB 3.82Å; F139-E372 HydrophobicContact CG-CG 4.18Å; F139-E372 HydrophobicContact CZ-CG 4.05Å; Y140-E372 CarbonylContact C-O 3.55Å; Y140-E372 PolarHBondContact N-O 3.14Å; Q162-E372 HydrophobicContact CG-CB 4.36Å; Q162-E372 HydrophobicContact CG-CG 4.11Å; F369-E372 WeakPolarHBondContact CA-OE2 2.98Å; F369-E372 HydrophobicContact CD1-CB 4.02Å; F369-E372 HydrophobicContact CD1-CG 4.4Å; Q370-E372 WeakPolarHBondContact CA-OE2 3.45Å; Q370-E372 PolarHBondContact N-OE2 2.83Å |
| 373 | M | 91 | Very high | 79.3 | Confident | 35 Ų | 35 | 45 Ų | 45 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 22.4 | 179.7 | -58.4 | -59.5 | -68.3 | 0 | 0 | 112.2 | Y140 F369 M371 Q375 G395 W399 | Y140-M373 HydrophobicContact CD2-CE 3.53Å; Y140-M373 HydrophobicContact CD2-SD 3.75Å; Y140-M373 HydrophobicContact CE2-CE 4.21Å; Y140-M373 HydrophobicContact CG-CE 4.36Å; Y140-M373 CarbonylContact O-C 3.59Å; F369-M373 HydrophobicContact CB-CG 4.26Å; F369-M373 HydrophobicContact CD1-CG 3.93Å; F369-M373 HydrophobicContact CD2-CG 4.14Å; F369-M373 HydrophobicContact CE1-CG 4.27Å; F369-M373 HydrophobicContact CE2-CG 4.48Å; F369-M373 HydrophobicContact CG-CG 3.85Å; M371-M373 VanDerWaalsContact C-N 3.25Å; M371-M373 PolarHBondContact O-N 2.85Å; M373-Q375 VanDerWaalsContact C-N 3.3Å; M373-Q375 WeakPolarHBondContact O-CG 3.43Å; M373-Q375 PolarHBondContact O-N 3.1Å; M373-G395 CarbonylContact O-C 3.59Å; M373-G395 VanDerWaalsContact O-C 3.31Å; M373-G395 WeakPolarHBondContact O-CA 3.2Å; M373-W399 HydrophobicContact CB-CH2 4.49Å; M373-W399 HydrophobicContact CB-CZ2 4.15Å; M373-W399 HydrophobicContact CE-CZ2 4.22Å; M373-W399 HydrophobicContact CG-CH2 4.33Å; M373-W399 HydrophobicContact CG-CZ2 4.33Å |
| 374 | S | 94 | Very high | 80.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -62.9 | -28.3 | -166.5 | 52.7 | 0 | 0 | 0 | 0 | 115.7 | A160 M371 V376 A393 V394 G395 | A160-S374 VanDerWaalsContact CB-OG 3.26Å; A160-S374 WeakPolarHBondContact CB-OG 3.17Å; M371-S374 VanDerWaalsContact CE-CB 3.48Å; M371-S374 WeakPolarHBondContact O-CB 3.25Å; M371-S374 PolarHBondContact O-N 3.31Å; M371-S374 VanDerWaalsContact O-N 3.1Å; M371-S374 PolarHBondContact O-OG 3.44Å; S374-V376 VanDerWaalsContact C-N 3.3Å; S374-V376 PolarHBondContact O-N 3.06Å; S374-A393 CarbonylContact O-C 3.6Å; S374-A393 WeakPolarHBondContact O-CA 3.33Å; S374-V394 PolarHBondContact O-N 2.87Å; S374-G395 PolarHBondContact O-N 3.12Å | ||
| 375 | Q | 97 | Very high | 82.5 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | trans | 52.4 | 45.2 | -179.9 | -60.1 | 179.3 | -104.7 | 0 | 0 | 112.8 | P128 L129 Y140 M373 G377 F378 V394 | P128-Q375 HydrophobicContact CB-CB 4.27Å; P128-Q375 WeakPolarHBondContact O-CA 3.13Å; P128-Q375 WeakPolarHBondContact O-CB 3.48Å; P128-Q375 WeakPolarHBondContact O-CG 3.43Å; L129-Q375 HydrophobicContact CD2-CG 4.47Å; Y140-Q375 WeakPolarHBondContact O-CA 3.24Å; Y140-Q375 PolarHBondContact O-N 3.11Å; M373-Q375 VanDerWaalsContact C-N 3.3Å; M373-Q375 WeakPolarHBondContact O-CG 3.43Å; M373-Q375 PolarHBondContact O-N 3.1Å; Q375-G377 PolarHBondContact O-N 3.3Å; Q375-F378 WeakPolarHBondContact O-CB 3.32Å; Q375-F378 PolarHBondContact O-N 2.9Å; Q375-V394 HydrophobicContact CB-CG2 4.26Å | ||
| 376 | V | 97.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 135.6 | -178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | P141 P159 A160 S374 L391 G392 A393 V404 | P141-V376 VanDerWaalsContact O-CB 3.3Å; P141-V376 WeakPolarHBondContact O-CB 3.38Å; P141-V376 WeakPolarHBondContact O-CG2 3.36Å; P141-V376 PolarHBondContact O-N 3.11Å; P159-V376 HydrophobicContact CG-CG1 4.22Å; A160-V376 HydrophobicContact CB-CG2 3.57Å; S374-V376 VanDerWaalsContact C-N 3.3Å; S374-V376 PolarHBondContact O-N 3.06Å; V376-L391 HydrophobicContact CG1-CB 3.81Å; V376-L391 HydrophobicContact CG1-CD1 3.93Å; V376-G392 CarbonylContact C-O 3.6Å; V376-G392 WeakPolarHBondContact CA-O 3.45Å; V376-A393 HydrophobicContact CG2-CB 3.94Å; V376-V404 HydrophobicContact CG1-CB 4.43Å; V376-V404 HydrophobicContact CG1-CG2 4.09Å; V376-V404 HydrophobicContact CG2-CG2 4.17Å |
| 377 | G | 96.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89.2 | 14.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T113 C126 Q375 S379 G392 | T113-G377 WeakPolarHBondContact CB-O 3.39Å; T113-G377 PolarHBondContact OG1-O 3.18Å; C126-G377 WeakPolarHBondContact CB-O 3.33Å; Q375-G377 PolarHBondContact O-N 3.3Å; G377-S379 PolarHBondContact O-N 3.44Å; G377-G392 PolarHBondContact N-O 2.91Å |
| 378 | F | 98.1 | Very high | 88.1 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 20% | 0.202 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | -36.1 | 170.6 | -172 | -83.8 | 0 | 0 | 0 | 111.8 | T113 P128 Q375 G392 V394 Y434 | T113-F378 PolarHBondContact OG1-O 3.18Å; P128-F378 HydrophobicContact CB-CB 4.24Å; P128-F378 HydrophobicContact CB-CD2 4.42Å; P128-F378 HydrophobicContact CG-CD2 4.43Å; Q375-F378 WeakPolarHBondContact O-CB 3.32Å; Q375-F378 PolarHBondContact O-N 2.9Å; F378-G392 PolarHBondContact N-O 2.82Å; F378-V394 HydrophobicContact CB-CG1 4.06Å; F378-V394 HydrophobicContact CB-CG2 3.91Å; F378-V394 HydrophobicContact CD1-CG1 3.7Å; F378-V394 HydrophobicContact CD1-CG2 4.27Å; F378-V394 HydrophobicContact CD2-CG2 3.61Å; F378-V394 HydrophobicContact CE1-CG1 4.36Å; F378-V394 HydrophobicContact CE2-CG2 4.22Å; F378-V394 HydrophobicContact CG-CB 4.41Å; F378-V394 HydrophobicContact CG-CG1 3.83Å; F378-V394 HydrophobicContact CG-CG2 3.64Å; F378-Y434 HydrophobicContact CD1-CD2 4.19Å; F378-Y434 HydrophobicContact CD1-CE2 4.45Å; F378-Y434 HydrophobicContact CD1-CG 4.43Å; F378-Y434 HydrophobicContact CE1-CD1 4.17Å; F378-Y434 AromaticContact CE1-CD2 3.37Å; F378-Y434 HydrophobicContact CE1-CD2 3.37Å; F378-Y434 HydrophobicContact CE1-CE1 4.09Å; F378-Y434 AromaticContact CE1-CE2 3.28Å; F378-Y434 HydrophobicContact CE1-CE2 3.28Å; F378-Y434 AromaticContact CE1-CG 3.83Å; F378-Y434 HydrophobicContact CE1-CG 3.83Å; F378-Y434 AromaticContact CE1-CZ 3.65Å; F378-Y434 AromaticContact CZ-CD2 3.87Å; F378-Y434 HydrophobicContact CZ-CD2 3.87Å; F378-Y434 AromaticContact CZ-CE2 3.38Å; F378-Y434 HydrophobicContact CZ-CE2 3.38Å; F378-Y434 AromaticContact CZ-CZ 3.86Å |
| 379 | S | 97.9 | Very high | 89.5 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 161.2 | 164.9 | 68.7 | 0 | 0 | 0 | 0 | 108.9 | G377 L391 G392 G433 Y434 L436 | G377-S379 PolarHBondContact O-N 3.44Å; S379-L391 WeakPolarHBondContact O-CA 3.32Å; S379-G392 PolarHBondContact O-N 2.81Å; S379-G433 PolarHBondContact OG-O 2.96Å; S379-Y434 VanDerWaalsContact CB-O 3.25Å; S379-Y434 WeakPolarHBondContact CB-O 3.23Å; S379-L436 WeakPolarHBondContact OG-CD1 3.49Å; S379-L436 WeakPolarHBondContact OG-CG 3.26Å |
| 380 | A | 96.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | T113 A115 L124 M390 L391 | T113-A380 HydrophobicContact CG2-CB 3.82Å; A115-A380 HydrophobicContact CB-CB 4.08Å; L124-A380 HydrophobicContact CD2-CB 3.63Å; A380-M390 VanDerWaalsContact CA-O 3.28Å; A380-M390 WeakPolarHBondContact CA-O 3.43Å; A380-L391 HydrophobicContact CB-CD2 3.82Å |
| 381 | Y | 95.3 | Very high | 91.5 | Very high | 77 Ų | 77 | 35 Ų | 35 | 30% | 0.302 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 146.7 | 174.2 | -169 | -91 | 0 | 0 | 0 | 110.3 | M390 T437 T438 | Y381-M390 HydrophobicContact CD1-SD 4.45Å; Y381-M390 PolarHBondContact N-O 2.83Å; Y381-M390 PolarHBondContact O-N 2.91Å; Y381-T437 WeakPolarHBondContact CE2-OG1 3.18Å; Y381-T438 HydrophobicContact CD1-CG2 4.05Å; Y381-T438 HydrophobicContact CE1-CG2 3.93Å |
| 382 | Y | 91.4 | Very high | 92 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118.3 | 178 | -161.7 | -83.5 | 0 | 0 | 0 | 111.4 | H118 K384 D387 M389 | H118-Y382 HydrophobicContact CB-CD1 3.79Å; H118-Y382 HydrophobicContact CB-CD2 4.3Å; H118-Y382 HydrophobicContact CB-CE1 3.19Å; H118-Y382 HydrophobicContact CB-CE2 3.8Å; H118-Y382 HydrophobicContact CB-CG 4.33Å; H118-Y382 WeakPolarHBondContact CB-OH 3.38Å; Y382-K384 PolarHBondContact O-N 2.78Å; Y382-D387 VanDerWaalsContact OH-C 3.28Å; Y382-D387 WeakPolarHBondContact OH-CA 3.44Å; Y382-D387 VanDerWaalsContact OH-CG 3.27Å; Y382-D387 PolarHBondContact OH-OD1 3.07Å; Y382-M389 HydrophobicContact CD2-CG 3.48Å; Y382-M389 VanDerWaalsContact CD2-CG 3.48Å; Y382-M389 HydrophobicContact CE2-CG 3.54Å |
| 383 | S | 89.2 | Confident | 92.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 112.4 | 169.4 | 151.6 | 0 | 0 | 0 | 0 | 109.6 | Q386 D387 M388 E445 | S383-Q386 WeakPolarHBondContact OG-CB 3.36Å; S383-Q386 PolarHBondContact OG-N 2.7Å; S383-Q386 VanDerWaalsContact OG-N 3.15Å; S383-D387 PolarHBondContact O-N 3.4Å; S383-M388 PolarHBondContact N-O 2.94Å; S383-M388 PolarHBondContact O-N 3.39Å; S383-E445 WeakPolarHBondContact CB-OE1 3.25Å; S383-E445 PolarHBondContact OG-OE1 3.19Å; S383-E445 VanDerWaalsContact OG-OE1 3.07Å; S383-E445 PolarHBondContact OG-OE2 2.89Å |
| 384 | K | 80.7 | Confident | 92.8 | Very high | 183 Ų | 183 | 32.1 Ų | 32.1 | 80% | 0.796 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -37.5 | 178.6 | -68.3 | 179.8 | -177.2 | 171.2 | 0 | 112 | Y382 | Y382-K384 PolarHBondContact O-N 2.78Š|
| 385 | Q | 81.4 | Confident | 92.7 | Very high | 96 Ų | 96 | 32.1 Ų | 32.1 | 45% | 0.449 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -35.1 | -172.7 | -172 | 172.4 | 1.4 | 0 | 0 | 112.4 | T440 E445 | Q385-T440 PolarHBondContact OE1-OG1 2.82Å; Q385-E445 HydrophobicContact CB-CB 4.43Å |
| 386 | Q | 80.9 | Confident | 92.4 | Very high | 72 Ų | 72 | 30.9 Ų | 30.9 | 34% | 0.336 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.9 | 178.9 | -65.5 | -171.2 | 23.9 | 0 | 0 | 115 | S383 K407 E445 | S383-Q386 WeakPolarHBondContact OG-CB 3.36Å; S383-Q386 PolarHBondContact OG-N 2.7Å; S383-Q386 VanDerWaalsContact OG-N 3.15Å; Q386-K407 PolarHBondContact O-NZ 3.39Å; Q386-E445 WeakPolarHBondContact CG-OE2 3.42Å; Q386-E445 PolarHBondContact N-OE2 3.07Å |
| 387 | D | 85.5 | Confident | 91.9 | Very high | 82 Ų | 82 | 32.1 Ų | 32.1 | 44% | 0.439 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 58.1 | -178.3 | -167.4 | 50 | 0 | 0 | 0 | 111.5 | Y382 S383 | Y382-D387 VanDerWaalsContact OH-C 3.28Å; Y382-D387 WeakPolarHBondContact OH-CA 3.44Å; Y382-D387 VanDerWaalsContact OH-CG 3.27Å; Y382-D387 PolarHBondContact OH-OD1 3.07Å; S383-D387 PolarHBondContact O-N 3.4Å |
| 388 | M | 89.1 | Confident | 91.3 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.7 | -170.1 | -174.7 | -131.1 | -72.9 | 0 | 0 | 111.8 | S383 M390 H405 K407 F447 | S383-M388 PolarHBondContact N-O 2.94Å; S383-M388 PolarHBondContact O-N 3.39Å; M388-M390 HydrophobicContact SD-CG 4.38Å; M388-H405 HydrophobicContact CE-CB 4.07Å; M388-H405 VanDerWaalsContact CE-ND1 3.25Å; M388-H405 WeakPolarHBondContact CE-ND1 3.15Å; M388-H405 HydrophobicContact CG-CB 4.38Å; M388-H405 HydrophobicContact SD-CB 3.49Å; M388-H405 WeakPolarHBondContact SD-CB 3.24Å; M388-H405 PolarHBondContact SD-ND1 3.48Å; M388-H405 VanDerWaalsContact SD-ND1 3.44Å; M388-K407 HydrophobicContact CG-CB 4.48Å; M388-F447 HydrophobicContact CE-CE1 4.02Å; M388-F447 HydrophobicContact CE-CE2 4.37Å; M388-F447 HydrophobicContact CE-CZ 3.55Å; M388-F447 HydrophobicContact SD-CE1 4.25Å; M388-F447 HydrophobicContact SD-CZ 4.36Å |
| 389 | M | 91.6 | Very high | 91 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.3 | 170.9 | -66.2 | 175.4 | -55.9 | 0 | 0 | 110.4 | L124 K146 F157 Y382 Q406 | L124-M389 HydrophobicContact CD1-SD 4.44Å; K146-M389 WeakPolarHBondContact CE-SD 3.34Å; F157-M389 HydrophobicContact CZ-CE 4.35Å; Y382-M389 HydrophobicContact CD2-CG 3.48Å; Y382-M389 VanDerWaalsContact CD2-CG 3.48Å; Y382-M389 HydrophobicContact CE2-CG 3.54Å; M389-Q406 HydrophobicContact CB-CB 4.33Å; M389-Q406 HydrophobicContact CE-CB 4.09Å; M389-Q406 HydrophobicContact CE-CG 3.7Å; M389-Q406 PolarHBondContact N-O 2.83Å; M389-Q406 PolarHBondContact O-N 3.37Å |
| 390 | M | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.1 | 167.2 | -53.9 | 170.8 | 72.8 | 0 | 0 | 108.5 | A380 Y381 M388 V403 V404 L436 T438 F447 Y463 | A380-M390 VanDerWaalsContact CA-O 3.28Å; A380-M390 WeakPolarHBondContact CA-O 3.43Å; Y381-M390 HydrophobicContact CD1-SD 4.45Å; Y381-M390 PolarHBondContact N-O 2.83Å; Y381-M390 PolarHBondContact O-N 2.91Å; M388-M390 HydrophobicContact SD-CG 4.38Å; M390-V403 HydrophobicContact CB-CG1 4.28Å; M390-V403 HydrophobicContact CE-CG1 4.27Å; M390-V404 CarbonylContact C-O 3.55Å; M390-V404 WeakPolarHBondContact CA-O 3.37Å; M390-L436 HydrophobicContact CB-CD1 3.84Å; M390-L436 HydrophobicContact CE-CD2 4.15Å; M390-T438 HydrophobicContact SD-CG2 3.74Å; M390-F447 HydrophobicContact CE-CB 3.71Å; M390-F447 HydrophobicContact CE-CD1 3.66Å; M390-F447 HydrophobicContact CE-CG 4.07Å; M390-F447 HydrophobicContact CG-CD1 4.25Å; M390-F447 HydrophobicContact CG-CE1 4.47Å; M390-F447 HydrophobicContact SD-CD1 3.51Å; M390-F447 VanDerWaalsContact SD-CD1 3.51Å; M390-F447 HydrophobicContact SD-CE1 4.16Å; M390-F447 HydrophobicContact SD-CG 4.47Å; M390-Y463 WeakPolarHBondContact CE-OH 3.5Å |
| 391 | L | 97.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.6 | 176.7 | -53.3 | 170.7 | 0 | 0 | 0 | 109.8 | L124 F157 P159 V376 S379 A380 V404 | L124-L391 HydrophobicContact CD2-CD2 3.62Å; F157-L391 HydrophobicContact CE2-CD1 3.85Å; F157-L391 HydrophobicContact CZ-CD1 4.45Å; P159-L391 HydrophobicContact CG-CD1 4.26Å; V376-L391 HydrophobicContact CG1-CB 3.81Å; V376-L391 HydrophobicContact CG1-CD1 3.93Å; S379-L391 WeakPolarHBondContact O-CA 3.32Å; A380-L391 HydrophobicContact CB-CD2 3.82Å; L391-V404 HydrophobicContact CB-CB 4.23Å; L391-V404 PolarHBondContact N-O 2.9Å; L391-V404 PolarHBondContact O-N 2.68Å |
| 392 | G | 98 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 134.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V376 G377 F378 S379 G433 | V376-G392 CarbonylContact C-O 3.6Å; V376-G392 WeakPolarHBondContact CA-O 3.45Å; G377-G392 PolarHBondContact N-O 2.91Å; F378-G392 PolarHBondContact N-O 2.82Å; S379-G392 PolarHBondContact O-N 2.81Å; G392-G433 VanDerWaalsContact CA-O 3.23Å; G392-G433 WeakPolarHBondContact CA-O 3.43Å |
| 393 | A | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 71.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S374 V376 G395 A396 G401 T402 V404 | S374-A393 CarbonylContact O-C 3.6Å; S374-A393 WeakPolarHBondContact O-CA 3.33Å; V376-A393 HydrophobicContact CG2-CB 3.94Å; A393-G395 VanDerWaalsContact C-N 3.29Å; A393-G395 PolarHBondContact O-N 2.96Å; A393-A396 HydrophobicContact CB-CB 4.37Å; A393-A396 WeakPolarHBondContact O-CB 3.49Å; A393-A396 PolarHBondContact O-N 3.42Å; A393-G401 CarbonylContact O-C 3.59Å; A393-G401 VanDerWaalsContact O-CA 3.28Å; A393-G401 WeakPolarHBondContact O-CA 3.45Å; A393-T402 HydrophobicContact CB-CG2 3.82Å; A393-T402 PolarHBondContact N-O 3.19Å; A393-T402 PolarHBondContact O-N 2.55Å; A393-V404 HydrophobicContact CB-CG2 4.2Å |
| 394 | V | 96.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.6 | -167.4 | -65.3 | 0 | 0 | 0 | 0 | 114.5 | S374 Q375 F378 W399 L431 Y434 | S374-V394 PolarHBondContact O-N 2.87Å; Q375-V394 HydrophobicContact CB-CG2 4.26Å; F378-V394 HydrophobicContact CB-CG1 4.06Å; F378-V394 HydrophobicContact CB-CG2 3.91Å; F378-V394 HydrophobicContact CD1-CG1 3.7Å; F378-V394 HydrophobicContact CD1-CG2 4.27Å; F378-V394 HydrophobicContact CD2-CG2 3.61Å; F378-V394 HydrophobicContact CE1-CG1 4.36Å; F378-V394 HydrophobicContact CE2-CG2 4.22Å; F378-V394 HydrophobicContact CG-CB 4.41Å; F378-V394 HydrophobicContact CG-CG1 3.83Å; F378-V394 HydrophobicContact CG-CG2 3.64Å; V394-W399 WeakPolarHBondContact O-CA 3.01Å; V394-L431 HydrophobicContact CB-CB 4.36Å; V394-L431 HydrophobicContact CB-CD2 4.28Å; V394-Y434 HydrophobicContact CG1-CD2 4.39Å |
| 395 | G | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 4.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M373 S374 A393 W399 | M373-G395 CarbonylContact O-C 3.59Å; M373-G395 VanDerWaalsContact O-C 3.31Å; M373-G395 WeakPolarHBondContact O-CA 3.2Å; S374-G395 PolarHBondContact O-N 3.12Å; A393-G395 VanDerWaalsContact C-N 3.29Å; A393-G395 PolarHBondContact O-N 2.96Å; G395-W399 PolarHBondContact O-N 3.32Å |
| 396 | A | 91.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | 145.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q370 M371 A393 W399 S400 G401 T402 | Q370-A396 CarbonylContact O-C 3.57Å; Q370-A396 VanDerWaalsContact O-CA 3.3Å; Q370-A396 WeakPolarHBondContact O-CA 3.49Å; M371-A396 HydrophobicContact CE-CB 4.42Å; M371-A396 HydrophobicContact SD-CB 3.59Å; M371-A396 VanDerWaalsContact SD-CB 3.59Å; A393-A396 HydrophobicContact CB-CB 4.37Å; A393-A396 WeakPolarHBondContact O-CB 3.49Å; A393-A396 PolarHBondContact O-N 3.42Å; A396-W399 PolarHBondContact O-N 3.01Å; A396-S400 PolarHBondContact O-N 3.2Å; A396-G401 PolarHBondContact O-N 3.17Å; A396-T402 HydrophobicContact CB-CG2 3.66Å |
| 397 | Y | 87.2 | Confident | 92.5 | Very high | 27 Ų | 27 | 19.2 Ų | 19.2 | 11% | 0.106 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | 51.7 | 61.4 | 175.9 | -46 | -62.8 | 0 | 0 | 0 | 111.7 | F369 Q370 M371 W399 S400 T402 F414 P415 F416 | F369-Y397 CarbonylContact O-C 3.36Å; F369-Y397 VanDerWaalsContact O-CA 3.3Å; F369-Y397 WeakPolarHBondContact O-CA 3.47Å; Q370-Y397 HydrophobicContact CB-CD1 4.39Å; Q370-Y397 HydrophobicContact CB-CE1 4.42Å; Q370-Y397 PolarHBondContact O-N 3.48Å; M371-Y397 HydrophobicContact SD-CE1 4.43Å; M371-Y397 HydrophobicContact SD-CE2 4.42Å; Y397-W399 VanDerWaalsContact C-N 3.29Å; Y397-W399 PolarHBondContact O-N 2.93Å; Y397-S400 WeakPolarHBondContact O-CB 3.48Å; Y397-S400 PolarHBondContact O-N 3.13Å; Y397-S400 VanDerWaalsContact O-N 3.09Å; Y397-S400 PolarHBondContact O-OG 2.93Å; Y397-T402 HydrophobicContact CE2-CG2 4Å; Y397-F414 WeakPolarHBondContact CE2-O 3.22Å; Y397-F414 PolarHBondContact OH-O 3.22Å; Y397-P415 WeakPolarHBondContact OH-CA 3.43Å; Y397-F416 HydrophobicContact CD1-CB 3.87Å; Y397-F416 HydrophobicContact CD2-CB 3.93Å; Y397-F416 HydrophobicContact CD2-CD2 4.27Å; Y397-F416 HydrophobicContact CE1-CB 4.17Å; Y397-F416 HydrophobicContact CE2-CB 4.23Å; Y397-F416 HydrophobicContact CG-CB 3.74Å; Y397-F416 HydrophobicContact CG-CD2 4.06Å; Y397-F416 HydrophobicContact CG-CG 4.29Å |
| 398 | A | 84.6 | Confident | 92.4 | Very high | 35 Ų | 35 | 18 Ų | 18 | 29% | 0.289 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | 52.5 | 43.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | F369 S400 | F369-A398 PolarHBondContact O-N 3.42Å; A398-S400 PolarHBondContact O-N 3.13Å |
| 399 | W | 90.7 | Very high | 92.1 | Very high | 81 Ų | 81 | 22.9 Ų | 22.9 | 31% | 0.307 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | 63.7 | 17.9 | -178.8 | -59.6 | -95.2 | 0 | 0 | 0 | 115.3 | F369 M373 V394 G395 A396 Y397 S429 S430 L431 | F369-W399 HydrophobicContact CD2-CH2 4.11Å; F369-W399 HydrophobicContact CD2-CZ3 4.08Å; F369-W399 HydrophobicContact CE2-CH2 4.36Å; M373-W399 HydrophobicContact CB-CH2 4.49Å; M373-W399 HydrophobicContact CB-CZ2 4.15Å; M373-W399 HydrophobicContact CE-CZ2 4.22Å; M373-W399 HydrophobicContact CG-CH2 4.33Å; M373-W399 HydrophobicContact CG-CZ2 4.33Å; V394-W399 WeakPolarHBondContact O-CA 3.01Å; G395-W399 PolarHBondContact O-N 3.32Å; A396-W399 PolarHBondContact O-N 3.01Å; Y397-W399 VanDerWaalsContact C-N 3.29Å; Y397-W399 PolarHBondContact O-N 2.93Å; W399-S429 CarbonylContact O-C 3.37Å; W399-S429 VanDerWaalsContact O-C 3.3Å; W399-S429 VanDerWaalsContact O-CA 3.28Å; W399-S429 WeakPolarHBondContact O-CA 3.42Å; W399-S430 PolarHBondContact O-N 2.96Å; W399-L431 HydrophobicContact CB-CD2 3.98Å; W399-L431 HydrophobicContact CG-CD2 4.4Å; W399-L431 PolarHBondContact O-N 2.9Å |
| 400 | S | 90.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -39 | 160.2 | -57.8 | 0 | 0 | 0 | 0 | 110 | A396 Y397 A398 E425 S430 L431 L432 | A396-S400 PolarHBondContact O-N 3.2Å; Y397-S400 WeakPolarHBondContact O-CB 3.48Å; Y397-S400 PolarHBondContact O-N 3.13Å; Y397-S400 VanDerWaalsContact O-N 3.09Å; Y397-S400 PolarHBondContact O-OG 2.93Å; A398-S400 PolarHBondContact O-N 3.13Å; S400-E425 WeakPolarHBondContact CA-OE1 3.43Å; S400-E425 VanDerWaalsContact CB-OE1 3.32Å; S400-E425 WeakPolarHBondContact CB-OE1 3.15Å; S400-E425 VanDerWaalsContact CB-OE2 3.32Å; S400-E425 WeakPolarHBondContact CB-OE2 3.1Å; S400-E425 VanDerWaalsContact OG-CD 3.32Å; S400-E425 PolarHBondContact OG-OE1 3.35Å; S400-E425 PolarHBondContact OG-OE2 3.48Å; S400-S430 WeakPolarHBondContact O-CB 3.4Å; S400-L431 PolarHBondContact O-N 3.27Å; S400-L432 WeakPolarHBondContact O-CB 3.25Å; S400-L432 PolarHBondContact O-N 2.81Å |
| 401 | G | 93.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | 86.1 | 161.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A393 A396 L432 | A393-G401 CarbonylContact O-C 3.59Å; A393-G401 VanDerWaalsContact O-CA 3.28Å; A393-G401 WeakPolarHBondContact O-CA 3.45Å; A396-G401 PolarHBondContact O-N 3.17Å; G401-L432 CarbonylContact C-O 3.54Å; G401-L432 WeakPolarHBondContact CA-O 3.02Å |
| 402 | T | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 179.4 | 174.5 | -164.9 | 0 | 0 | 0 | 0 | 110.7 | A393 A396 Y397 I413 F414 L432 | A393-T402 HydrophobicContact CB-CG2 3.82Å; A393-T402 PolarHBondContact N-O 3.19Å; A393-T402 PolarHBondContact O-N 2.55Å; A396-T402 HydrophobicContact CB-CG2 3.66Å; Y397-T402 HydrophobicContact CE2-CG2 4Å; T402-I413 HydrophobicContact CG2-CG2 4.18Å; T402-F414 PolarHBondContact OG1-O 3.15Å; T402-F414 VanDerWaalsContact OG1-O 3.1Å; T402-L432 PolarHBondContact N-O 2.85Å |
| 403 | V | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.6 | 174 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | M390 F414 L436 A449 | M390-V403 HydrophobicContact CB-CG1 4.28Å; M390-V403 HydrophobicContact CE-CG1 4.27Å; V403-F414 HydrophobicContact CB-CD2 4.47Å; V403-F414 VanDerWaalsContact O-CD2 3.25Å; V403-F414 WeakPolarHBondContact O-CD2 3.05Å; V403-L436 HydrophobicContact CG1-CD1 4.29Å; V403-L436 HydrophobicContact CG1-CD2 3.89Å; V403-L436 HydrophobicContact CG2-CD2 3.83Å; V403-A449 HydrophobicContact CG2-CB 3.75Å |
| 404 | V | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.3 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | P159 V376 M390 L391 A393 A411 T412 I413 | P159-V404 HydrophobicContact CB-CG1 4.04Å; P159-V404 HydrophobicContact CG-CG1 4.27Å; V376-V404 HydrophobicContact CG1-CB 4.43Å; V376-V404 HydrophobicContact CG1-CG2 4.09Å; V376-V404 HydrophobicContact CG2-CG2 4.17Å; M390-V404 CarbonylContact C-O 3.55Å; M390-V404 WeakPolarHBondContact CA-O 3.37Å; L391-V404 HydrophobicContact CB-CB 4.23Å; L391-V404 PolarHBondContact N-O 2.9Å; L391-V404 PolarHBondContact O-N 2.68Å; A393-V404 HydrophobicContact CB-CG2 4.2Å; V404-A411 HydrophobicContact CG1-CB 4.1Å; V404-T412 WeakPolarHBondContact CA-O 3.27Å; V404-I413 HydrophobicContact CG1-CG1 4.04Å; V404-I413 HydrophobicContact CG2-CG1 3.99Å; V404-I413 HydrophobicContact CG2-CG2 4.37Å |
| 405 | H | 94.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.5 | 175.1 | -78.4 | -164.7 | 0 | 0 | 0 | 109.5 | M388 A411 T412 F414 F447 Y463 | M388-H405 HydrophobicContact CE-CB 4.07Å; M388-H405 VanDerWaalsContact CE-ND1 3.25Å; M388-H405 WeakPolarHBondContact CE-ND1 3.15Å; M388-H405 HydrophobicContact CG-CB 4.38Å; M388-H405 HydrophobicContact SD-CB 3.49Å; M388-H405 WeakPolarHBondContact SD-CB 3.24Å; M388-H405 PolarHBondContact SD-ND1 3.48Å; M388-H405 VanDerWaalsContact SD-ND1 3.44Å; H405-A411 CarbonylContact O-C 3.6Å; H405-A411 WeakPolarHBondContact O-CA 3.35Å; H405-T412 PolarHBondContact N-O 3.03Å; H405-T412 PolarHBondContact O-N 3.3Å; H405-F414 AromaticContact CD2-CE2 3.8Å; H405-F414 AromaticContact CE1-CE2 3.8Å; H405-F414 AromaticContact CE1-CZ 3.81Å; H405-F414 AromaticContact CG-CE2 3.85Å; H405-F414 AromaticContact CG-CZ 3.88Å; H405-F414 AromaticContact ND1-CE2 3.85Å; H405-F414 AromaticContact ND1-CZ 3.56Å; H405-F414 AromaticContact NE2-CE2 3.74Å; H405-F447 AromaticContact CE1-CD2 3.81Å; H405-F447 AromaticContact CE1-CE2 3.83Å; H405-F447 AromaticContact CE1-CG 3.91Å; H405-F447 AromaticContact CE1-CZ 3.95Å; H405-Y463 AromaticContact CE1-CE2 3.8Å; H405-Y463 AromaticContact NE2-CE2 3.84Å; H405-Y463 AromaticContact NE2-CZ 3.82Å; H405-Y463 PolarHBondContact NE2-OH 3.14Å |
| 406 | Q | 90.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.1 | -176.2 | -176.4 | 169.9 | -10.9 | 0 | 0 | 111.7 | M389 V410 | M389-Q406 HydrophobicContact CB-CB 4.33Å; M389-Q406 HydrophobicContact CE-CB 4.09Å; M389-Q406 HydrophobicContact CE-CG 3.7Å; M389-Q406 PolarHBondContact N-O 2.83Å; M389-Q406 PolarHBondContact O-N 3.37Å; Q406-V410 WeakPolarHBondContact CA-O 3.48Å |
| 407 | K | 88 | Confident | 89.9 | Confident | 120 Ų | 120 | 42.8 Ų | 42.8 | 52% | 0.522 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113 | 176.6 | -173.6 | 161.6 | -173.9 | 153.2 | 0 | 109.4 | Q386 M388 S409 V410 | Q386-K407 PolarHBondContact O-NZ 3.39Å; M388-K407 HydrophobicContact CG-CB 4.48Å; K407-S409 PolarHBondContact O-N 3.26Å; K407-V410 PolarHBondContact N-O 3.06Å; K407-V410 PolarHBondContact O-N 3.33Å |
| 408 | G | 83.9 | Confident | 89.9 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -123.8 | -169 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 409 | S | 82 | Confident | 90.1 | Very high | 120 Ų | 120 | 41.1 Ų | 41.1 | 84% | 0.839 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.4 | 175 | 54.3 | 0 | 0 | 0 | 0 | 114 | K407 | K407-S409 PolarHBondContact O-N 3.26Š|
| 410 | V | 88.1 | Confident | 89.7 | Confident | 80 Ų | 80 | 42.1 Ų | 42.1 | 49% | 0.485 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 118.3 | -176.9 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | Q406 K407 | Q406-V410 WeakPolarHBondContact CA-O 3.48Å; K407-V410 PolarHBondContact N-O 3.06Å; K407-V410 PolarHBondContact O-N 3.33Å |
| 411 | A | 91.6 | Very high | 89 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P159 V404 H405 | P159-A411 HydrophobicContact CB-CB 3.69Å; P159-A411 HydrophobicContact CG-CB 4.22Å; V404-A411 HydrophobicContact CG1-CB 4.1Å; H405-A411 CarbonylContact O-C 3.6Å; H405-A411 WeakPolarHBondContact O-CA 3.35Å |
| 412 | T | 93.4 | Very high | 88.5 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.6 | 174.2 | -52.1 | 0 | 0 | 0 | 0 | 107.6 | V404 H405 F414 K469 | V404-T412 WeakPolarHBondContact CA-O 3.27Å; H405-T412 PolarHBondContact N-O 3.03Å; H405-T412 PolarHBondContact O-N 3.3Å; T412-F414 HydrophobicContact CG2-CE1 4.16Å; T412-K469 HydrophobicContact CG2-CB 4.48Å |
| 413 | I | 93.2 | Very high | 87.8 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.6 | 178.5 | -54.1 | -177.3 | 0 | 0 | 0 | 107.1 | A160 M371 T402 V404 | A160-I413 HydrophobicContact CB-CD1 4.27Å; M371-I413 HydrophobicContact CE-CD1 3.95Å; M371-I413 HydrophobicContact CE-CG2 3.63Å; M371-I413 HydrophobicContact SD-CG2 4.02Å; T402-I413 HydrophobicContact CG2-CG2 4.18Å; V404-I413 HydrophobicContact CG1-CG1 4.04Å; V404-I413 HydrophobicContact CG2-CG1 3.99Å; V404-I413 HydrophobicContact CG2-CG2 4.37Å |
| 414 | F | 92.7 | Very high | 86.3 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 135.4 | 180 | -60.8 | -55.7 | 0 | 0 | 0 | 111.3 | Y397 T402 V403 H405 T412 A418 F419 Y463 V465 P471 | Y397-F414 WeakPolarHBondContact CE2-O 3.22Å; Y397-F414 PolarHBondContact OH-O 3.22Å; T402-F414 PolarHBondContact OG1-O 3.15Å; T402-F414 VanDerWaalsContact OG1-O 3.1Å; V403-F414 HydrophobicContact CB-CD2 4.47Å; V403-F414 VanDerWaalsContact O-CD2 3.25Å; V403-F414 WeakPolarHBondContact O-CD2 3.05Å; H405-F414 AromaticContact CD2-CE2 3.8Å; H405-F414 AromaticContact CE1-CE2 3.8Å; H405-F414 AromaticContact CE1-CZ 3.81Å; H405-F414 AromaticContact CG-CE2 3.85Å; H405-F414 AromaticContact CG-CZ 3.88Å; H405-F414 AromaticContact ND1-CE2 3.85Å; H405-F414 AromaticContact ND1-CZ 3.56Å; H405-F414 AromaticContact NE2-CE2 3.74Å; T412-F414 HydrophobicContact CG2-CE1 4.16Å; F414-A418 HydrophobicContact CB-CB 4.08Å; F414-F419 HydrophobicContact CB-CE2 4.02Å; F414-F419 HydrophobicContact CD2-CE2 4.17Å; F414-F419 HydrophobicContact CD2-CZ 4.32Å; F414-F419 HydrophobicContact CG-CE2 4.39Å; F414-Y463 HydrophobicContact CE2-CE2 4.02Å; F414-Y463 HydrophobicContact CZ-CE2 4.5Å; F414-V465 HydrophobicContact CZ-CG2 3.9Å; F414-P471 HydrophobicContact CB-CG 4.41Å; F414-P471 HydrophobicContact CD1-CB 4.46Å; F414-P471 HydrophobicContact CD1-CG 3.82Å; F414-P471 HydrophobicContact CD2-CG 4.46Å; F414-P471 HydrophobicContact CE1-CB 4.36Å; F414-P471 HydrophobicContact CE1-CG 4.16Å; F414-P471 HydrophobicContact CG-CG 3.98Å; F414-P471 HydrophobicContact CZ-CB 4.43Å |
| 415 | P | 89.1 | Confident | 84.6 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 159.2 | 178.4 | 30.4 | -35.9 | 0 | 0 | 0 | 111.1 | Y397 S417 A418 | Y397-P415 WeakPolarHBondContact OH-CA 3.43Å; P415-S417 PolarHBondContact O-N 3.42Å; P415-A418 HydrophobicContact CG-CB 4.37Å; P415-A418 WeakPolarHBondContact O-CB 3.42Å; P415-A418 PolarHBondContact O-N 3.15Å |
| 416 | F | 84 | Confident | 82.6 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -40.7 | 176.1 | 176.8 | -114.8 | 0 | 0 | 0 | 113.1 | Y397 A418 F419 Q420 | Y397-F416 HydrophobicContact CD1-CB 3.87Å; Y397-F416 HydrophobicContact CD2-CB 3.93Å; Y397-F416 HydrophobicContact CD2-CD2 4.27Å; Y397-F416 HydrophobicContact CE1-CB 4.17Å; Y397-F416 HydrophobicContact CE2-CB 4.23Å; Y397-F416 HydrophobicContact CG-CB 3.74Å; Y397-F416 HydrophobicContact CG-CD2 4.06Å; Y397-F416 HydrophobicContact CG-CG 4.29Å; F416-A418 PolarHBondContact O-N 2.95Å; F416-A418 VanDerWaalsContact O-N 3.07Å; F416-F419 PolarHBondContact O-N 3.08Å; F416-Q420 HydrophobicContact CD1-CB 4.29Å; F416-Q420 HydrophobicContact CD1-CG 4.26Å; F416-Q420 HydrophobicContact CE1-CB 4.01Å; F416-Q420 HydrophobicContact CE1-CG 3.56Å; F416-Q420 HydrophobicContact CZ-CB 4.19Å; F416-Q420 HydrophobicContact CZ-CG 3.8Å; F416-Q420 WeakPolarHBondContact O-CB 3.36Å; F416-Q420 PolarHBondContact O-N 2.68Å; F416-Q420 VanDerWaalsContact O-N 3.12Å |
| 417 | S | 82.9 | Confident | 80.9 | Confident | 84 Ų | 84 | 73 Ų | 73 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.6 | -20.8 | 179.6 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | P415 F419 | P415-S417 PolarHBondContact O-N 3.42Å; S417-F419 VanDerWaalsContact C-N 3.31Å; S417-F419 PolarHBondContact O-N 3.46Å |
| 418 | A | 87.1 | Confident | 79.7 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F414 P415 F416 P471 | F414-A418 HydrophobicContact CB-CB 4.08Å; P415-A418 HydrophobicContact CG-CB 4.37Å; P415-A418 WeakPolarHBondContact O-CB 3.42Å; P415-A418 PolarHBondContact O-N 3.15Å; F416-A418 PolarHBondContact O-N 2.95Å; F416-A418 VanDerWaalsContact O-N 3.07Å; A418-P471 HydrophobicContact CB-CG 3.51Å |
| 419 | F | 88.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -121.5 | -3.7 | -174.7 | -57.7 | -70 | 0 | 0 | 0 | 113.2 | F414 F416 S417 G421 T422 L423 L432 I461 Y463 P471 V473 | F414-F419 HydrophobicContact CB-CE2 4.02Å; F414-F419 HydrophobicContact CD2-CE2 4.17Å; F414-F419 HydrophobicContact CD2-CZ 4.32Å; F414-F419 HydrophobicContact CG-CE2 4.39Å; F416-F419 PolarHBondContact O-N 3.08Å; S417-F419 VanDerWaalsContact C-N 3.31Å; S417-F419 PolarHBondContact O-N 3.46Å; F419-G421 PolarHBondContact O-N 3.07Å; F419-T422 WeakPolarHBondContact O-CB 3.33Å; F419-T422 PolarHBondContact O-N 3.39Å; F419-L423 HydrophobicContact CB-CD1 3.83Å; F419-L423 HydrophobicContact CB-CG 4.21Å; F419-L423 WeakPolarHBondContact O-CG 3.42Å; F419-L423 PolarHBondContact O-N 2.56Å; F419-L432 HydrophobicContact CB-CD2 3.94Å; F419-L432 HydrophobicContact CD1-CD2 4.17Å; F419-L432 HydrophobicContact CD2-CD2 3.5Å; F419-L432 VanDerWaalsContact CD2-CD2 3.5Å; F419-L432 HydrophobicContact CE2-CD2 3.99Å; F419-L432 HydrophobicContact CG-CD2 3.6Å; F419-I461 HydrophobicContact CD1-CG2 4.42Å; F419-I461 HydrophobicContact CE1-CG2 4.42Å; F419-Y463 HydrophobicContact CE1-CD1 4.28Å; F419-Y463 HydrophobicContact CE1-CG 4.3Å; F419-Y463 HydrophobicContact CZ-CE1 4.48Å; F419-P471 HydrophobicContact CE1-CB 4.25Å; F419-P471 HydrophobicContact CE1-CG 4.41Å; F419-P471 HydrophobicContact CE2-CG 4.42Å; F419-P471 HydrophobicContact CZ-CB 3.98Å; F419-P471 HydrophobicContact CZ-CG 4Å; F419-V473 HydrophobicContact CD1-CG2 4.18Å; F419-V473 HydrophobicContact CE1-CG2 4.36Å |
| 420 | Q | 82.9 | Confident | 80.2 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -53.6 | -47.2 | -177.8 | -176.9 | -178.2 | 12.7 | 0 | 0 | 113.2 | F416 T422 | F416-Q420 HydrophobicContact CD1-CB 4.29Å; F416-Q420 HydrophobicContact CD1-CG 4.26Å; F416-Q420 HydrophobicContact CE1-CB 4.01Å; F416-Q420 HydrophobicContact CE1-CG 3.56Å; F416-Q420 HydrophobicContact CZ-CB 4.19Å; F416-Q420 HydrophobicContact CZ-CG 3.8Å; F416-Q420 WeakPolarHBondContact O-CB 3.36Å; F416-Q420 PolarHBondContact O-N 2.68Å; F416-Q420 VanDerWaalsContact O-N 3.12Å; Q420-T422 PolarHBondContact O-N 3.01Å |
| 421 | G | 75.2 | Confident | 80.6 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.3 | -25.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F419 | F419-G421 PolarHBondContact O-N 3.07Å |
| 422 | T | 82.3 | Confident | 80.8 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.172 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -86.7 | -41.4 | -178.4 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | F419 Q420 Q424 I461 T476 | F419-T422 WeakPolarHBondContact O-CB 3.33Å; F419-T422 PolarHBondContact O-N 3.39Å; Q420-T422 PolarHBondContact O-N 3.01Å; T422-Q424 PolarHBondContact O-N 2.97Å; T422-I461 HydrophobicContact CG2-CD1 3.74Å; T422-I461 HydrophobicContact CG2-CG1 4.13Å; T422-T476 HydrophobicContact CG2-CG2 3.4Å |
| 423 | L | 79.8 | Confident | 81 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.3 | -10.9 | -174.1 | -68.5 | 169.8 | 0 | 0 | 0 | 113.1 | F419 E425 L432 A451 I461 | F419-L423 HydrophobicContact CB-CD1 3.83Å; F419-L423 HydrophobicContact CB-CG 4.21Å; F419-L423 WeakPolarHBondContact O-CG 3.42Å; F419-L423 PolarHBondContact O-N 2.56Å; L423-E425 HydrophobicContact CB-CG 3.77Å; L423-E425 PolarHBondContact O-N 2.82Å; L423-E425 VanDerWaalsContact O-N 3.12Å; L423-L432 HydrophobicContact CD1-CB 4.49Å; L423-L432 HydrophobicContact CD1-CD2 4.2Å; L423-A451 HydrophobicContact CD2-CB 4.14Å; L423-I461 HydrophobicContact CD2-CD1 3.74Å; L423-I461 HydrophobicContact CG-CD1 4.3Å |
| 424 | Q | 65.5 | Low | 81.3 | Confident | 140 Ų | 140 | 58.7 Ų | 58.7 | 65% | 0.654 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 39.2 | 175.3 | -64.3 | -179.8 | -0.8 | 0 | 0 | 113.1 | T422 R426 | T422-Q424 PolarHBondContact O-N 2.97Å; Q424-R426 PolarHBondContact O-N 3.34Å |
| 425 | E | 61.7 | Low | 81.5 | Confident | 49 Ų | 49 | 59 Ų | 59 | 23% | 0.229 | 32% | 0.316 | C | S | . | . | trans | -76.1 | 117.8 | -170.5 | -66 | -175.8 | 167.3 | 0 | 0 | 112 | S400 L423 S430 | S400-E425 WeakPolarHBondContact CA-OE1 3.43Å; S400-E425 VanDerWaalsContact CB-OE1 3.32Å; S400-E425 WeakPolarHBondContact CB-OE1 3.15Å; S400-E425 VanDerWaalsContact CB-OE2 3.32Å; S400-E425 WeakPolarHBondContact CB-OE2 3.1Å; S400-E425 VanDerWaalsContact OG-CD 3.32Å; S400-E425 PolarHBondContact OG-OE1 3.35Å; S400-E425 PolarHBondContact OG-OE2 3.48Å; L423-E425 HydrophobicContact CB-CG 3.77Å; L423-E425 PolarHBondContact O-N 2.82Å; L423-E425 VanDerWaalsContact O-N 3.12Å; E425-S430 WeakPolarHBondContact OE1-CB 3.48Å; E425-S430 PolarHBondContact OE1-OG 2.9Å | ||
| 426 | R | 51.8 | Low | 82 | Confident | 217 Ų | 217 | 56.5 Ų | 56.5 | 82% | 0.819 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -101.6 | 64.5 | 161.6 | -68.3 | -176 | 177.6 | -177.7 | -0.8 | 109.2 | Q424 H428 | Q424-R426 PolarHBondContact O-N 3.34Å; R426-H428 PolarHBondContact O-CE1 2.78Å; R426-H428 VanDerWaalsContact O-CE1 3.3Å; R426-H428 PolarHBondContact O-ND1 2.98Å |
| 427 | N | 55.3 | Low | 82.6 | Confident | 168 Ų | 168 | 53.4 Ų | 53.4 | 90% | 0.898 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 72.4 | 35.5 | 178.1 | -52.1 | -20.2 | 0 | 0 | 0 | 117.2 | ||
| 428 | H | 62.3 | Low | 83.2 | Confident | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | trans | -121.3 | 146.9 | 179.9 | -64.3 | 88 | 0 | 0 | 0 | 112.6 | R426 S430 H456 | R426-H428 PolarHBondContact O-CE1 2.78Å; R426-H428 VanDerWaalsContact O-CE1 3.3Å; R426-H428 PolarHBondContact O-ND1 2.98Å; H428-S430 PolarHBondContact O-N 3.4Å; H428-H456 AromaticContact CD2-CE1 3.06Å; H428-H456 PolarHBondContact CD2-CE1 2.87Å; H428-H456 AromaticContact CD2-NE2 3.39Å; H428-H456 PolarHBondContact CD2-NE2 3.38Å; H428-H456 AromaticContact CG-CE1 3.84Å; H428-H456 AromaticContact NE2-CE1 3.26Å; H428-H456 PolarHBondContact NE2-CE1 3.29Å; H428-H456 VanDerWaalsContact NE2-CE1 3.26Å; H428-H456 AromaticContact NE2-NE2 3.88Å | ||
| 429 | S | 85.9 | Confident | 83.7 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | trans | -77.8 | 104.6 | 175.7 | -52.5 | 0 | 0 | 0 | 0 | 112 | W399 R453 | W399-S429 CarbonylContact O-C 3.37Å; W399-S429 VanDerWaalsContact O-C 3.3Å; W399-S429 VanDerWaalsContact O-CA 3.28Å; W399-S429 WeakPolarHBondContact O-CA 3.42Å; S429-R453 WeakPolarHBondContact O-CB 3.26Å | ||
| 430 | S | 91.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | trans | -78.9 | -24.1 | -177.8 | -65.1 | 0 | 0 | 0 | 0 | 114.8 | W399 S400 E425 H428 L432 A451 R453 S454 | W399-S430 PolarHBondContact O-N 2.96Å; S400-S430 WeakPolarHBondContact O-CB 3.4Å; E425-S430 WeakPolarHBondContact OE1-CB 3.48Å; E425-S430 PolarHBondContact OE1-OG 2.9Å; H428-S430 PolarHBondContact O-N 3.4Å; S430-L432 VanDerWaalsContact C-N 3.34Å; S430-A451 CarbonylContact O-C 3.34Å; S430-A451 VanDerWaalsContact O-C 3.27Å; S430-A451 WeakPolarHBondContact O-CA 3.39Å; S430-R453 PolarHBondContact O-N 2.86Å; S430-S454 PolarHBondContact O-N 2.83Å | ||
| 431 | L | 95.3 | Very high | 84.2 | Confident | 23 Ų | 23 | 47 Ų | 47 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | trans | 56 | 42 | -174.5 | -52.9 | -178.5 | 0 | 0 | 0 | 113.4 | V394 W399 S400 G433 Y434 R453 | V394-L431 HydrophobicContact CB-CB 4.36Å; V394-L431 HydrophobicContact CB-CD2 4.28Å; W399-L431 HydrophobicContact CB-CD2 3.98Å; W399-L431 HydrophobicContact CG-CD2 4.4Å; W399-L431 PolarHBondContact O-N 2.9Å; S400-L431 PolarHBondContact O-N 3.27Å; L431-G433 PolarHBondContact O-N 2.82Å; L431-Y434 HydrophobicContact CB-CD2 4.5Å; L431-Y434 HydrophobicContact CD1-CD2 4.32Å; L431-Y434 WeakPolarHBondContact O-CB 3.49Å; L431-Y434 PolarHBondContact O-N 3.2Å; L431-R453 HydrophobicContact CD1-CB 4.43Å; L431-R453 HydrophobicContact CD1-CG 3.81Å; L431-R453 HydrophobicContact CG-CB 4.3Å; L431-R453 HydrophobicContact CG-CG 4.23Å | ||
| 432 | L | 96.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -57.5 | 136.1 | 174.3 | 179.5 | 65.4 | 0 | 0 | 0 | 110.8 | S400 G401 T402 F419 L423 S430 A449 A451 I461 | S400-L432 WeakPolarHBondContact O-CB 3.25Å; S400-L432 PolarHBondContact O-N 2.81Å; G401-L432 CarbonylContact C-O 3.54Å; G401-L432 WeakPolarHBondContact CA-O 3.02Å; T402-L432 PolarHBondContact N-O 2.85Å; F419-L432 HydrophobicContact CB-CD2 3.94Å; F419-L432 HydrophobicContact CD1-CD2 4.17Å; F419-L432 HydrophobicContact CD2-CD2 3.5Å; F419-L432 VanDerWaalsContact CD2-CD2 3.5Å; F419-L432 HydrophobicContact CE2-CD2 3.99Å; F419-L432 HydrophobicContact CG-CD2 3.6Å; L423-L432 HydrophobicContact CD1-CB 4.49Å; L423-L432 HydrophobicContact CD1-CD2 4.2Å; S430-L432 VanDerWaalsContact C-N 3.34Å; L432-A449 HydrophobicContact CD1-CB 3.65Å; L432-A449 HydrophobicContact CG-CB 4.49Å; L432-A451 HydrophobicContact CB-CB 4.11Å; L432-A451 HydrophobicContact CD1-CB 3.98Å; L432-I461 HydrophobicContact CD1-CD1 3.89Å; L432-I461 HydrophobicContact CD1-CG1 4.5Å; L432-I461 HydrophobicContact CD2-CD1 4.44Å |
| 433 | G | 97.4 | Very high | 85 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 11.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S379 G392 L431 A435 G450 | S379-G433 PolarHBondContact OG-O 2.96Å; G392-G433 VanDerWaalsContact CA-O 3.23Å; G392-G433 WeakPolarHBondContact CA-O 3.43Å; L431-G433 PolarHBondContact O-N 2.82Å; G433-A435 VanDerWaalsContact C-N 3.27Å; G433-A435 PolarHBondContact O-N 2.97Å; G433-G450 PolarHBondContact N-O 2.83Å |
| 434 | Y | 98.4 | Very high | 85.5 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -62.4 | -36.6 | 174.6 | -167.1 | -79.6 | 0 | 0 | 0 | 112.1 | F378 S379 V394 L431 G450 P452 Y485 | F378-Y434 HydrophobicContact CD1-CD2 4.19Å; F378-Y434 HydrophobicContact CD1-CE2 4.45Å; F378-Y434 HydrophobicContact CD1-CG 4.43Å; F378-Y434 HydrophobicContact CE1-CD1 4.17Å; F378-Y434 AromaticContact CE1-CD2 3.37Å; F378-Y434 HydrophobicContact CE1-CD2 3.37Å; F378-Y434 HydrophobicContact CE1-CE1 4.09Å; F378-Y434 AromaticContact CE1-CE2 3.28Å; F378-Y434 HydrophobicContact CE1-CE2 3.28Å; F378-Y434 AromaticContact CE1-CG 3.83Å; F378-Y434 HydrophobicContact CE1-CG 3.83Å; F378-Y434 AromaticContact CE1-CZ 3.65Å; F378-Y434 AromaticContact CZ-CD2 3.87Å; F378-Y434 HydrophobicContact CZ-CD2 3.87Å; F378-Y434 AromaticContact CZ-CE2 3.38Å; F378-Y434 HydrophobicContact CZ-CE2 3.38Å; F378-Y434 AromaticContact CZ-CZ 3.86Å; S379-Y434 VanDerWaalsContact CB-O 3.25Å; S379-Y434 WeakPolarHBondContact CB-O 3.23Å; V394-Y434 HydrophobicContact CG1-CD2 4.39Å; L431-Y434 HydrophobicContact CB-CD2 4.5Å; L431-Y434 HydrophobicContact CD1-CD2 4.32Å; L431-Y434 WeakPolarHBondContact O-CB 3.49Å; L431-Y434 PolarHBondContact O-N 3.2Å; Y434-G450 PolarHBondContact N-O 3.4Å; Y434-P452 VanDerWaalsContact CB-CD 3.47Å; Y434-P452 HydrophobicContact CD1-CG 4.08Å; Y434-P452 HydrophobicContact CD2-CG 3.99Å; Y434-P452 HydrophobicContact CG-CG 3.65Å; Y434-Y485 AromaticContact CE1-CE1 4Å; Y434-Y485 HydrophobicContact CE1-CE1 4Å; Y434-Y485 HydrophobicContact CE2-CE1 4.08Å; Y434-Y485 AromaticContact CE2-CZ 3.93Å; Y434-Y485 WeakPolarHBondContact CE2-OH 3.38Å; Y434-Y485 AromaticContact CZ-CE1 3.7Å |
| 435 | A | 98.3 | Very high | 86.8 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G433 G450 S488 L490 | G433-A435 VanDerWaalsContact C-N 3.27Å; G433-A435 PolarHBondContact O-N 2.97Å; A435-G450 PolarHBondContact O-N 3.17Å; A435-S488 WeakPolarHBondContact CB-O 3.44Å; A435-L490 HydrophobicContact CB-CB 4.39Å; A435-L490 HydrophobicContact CB-CD1 4.06Å; A435-L490 HydrophobicContact CB-CG 3.9Å |
| 436 | L | 97.9 | Very high | 88.4 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.1 | -175.8 | -62.1 | 172.3 | 0 | 0 | 0 | 110.1 | S379 M390 V403 V448 A449 | S379-L436 WeakPolarHBondContact OG-CD1 3.49Å; S379-L436 WeakPolarHBondContact OG-CG 3.26Å; M390-L436 HydrophobicContact CB-CD1 3.84Å; M390-L436 HydrophobicContact CE-CD2 4.15Å; V403-L436 HydrophobicContact CG1-CD1 4.29Å; V403-L436 HydrophobicContact CG1-CD2 3.89Å; V403-L436 HydrophobicContact CG2-CD2 3.83Å; L436-V448 WeakPolarHBondContact CA-O 3.23Å; L436-A449 HydrophobicContact CD2-CB 3.84Å |
| 437 | T | 97.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 177.5 | 166.9 | -166.3 | 0 | 0 | 0 | 0 | 109.6 | Y381 V448 L490 S492 L504 | Y381-T437 WeakPolarHBondContact CE2-OG1 3.18Å; T437-V448 HydrophobicContact CG2-CB 3.81Å; T437-V448 HydrophobicContact CG2-CG1 4.34Å; T437-V448 HydrophobicContact CG2-CG2 4.1Å; T437-V448 PolarHBondContact N-O 2.82Å; T437-V448 PolarHBondContact O-N 3.47Å; T437-L490 HydrophobicContact CG2-CB 3.81Å; T437-L490 HydrophobicContact CG2-CD1 4.44Å; T437-S492 PolarHBondContact OG1-OG 2.72Å; T437-L504 HydrophobicContact CG2-CD1 3.85Å |
| 438 | T | 96.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 156.5 | 168.5 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | Y381 M390 E445 Y446 F447 S492 | Y381-T438 HydrophobicContact CD1-CG2 4.05Å; Y381-T438 HydrophobicContact CE1-CG2 3.93Å; M390-T438 HydrophobicContact SD-CG2 3.74Å; T438-E445 WeakPolarHBondContact CB-OE1 3.43Å; T438-E445 HydrophobicContact CG2-CG 4.41Å; T438-E445 PolarHBondContact OG1-OE1 2.89Å; T438-Y446 CarbonylContact C-O 3.47Å; T438-Y446 VanDerWaalsContact CA-O 3.25Å; T438-Y446 WeakPolarHBondContact CA-O 3.21Å; T438-Y446 WeakPolarHBondContact CB-O 3.44Å; T438-F447 HydrophobicContact CG2-CD1 3.8Å; T438-F447 HydrophobicContact CG2-CE1 4.21Å; T438-S492 WeakPolarHBondContact O-CB 3.2Å; T438-S492 PolarHBondContact O-OG 2.78Å |
| 439 | L | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.9 | 169.9 | -44.3 | 170.7 | 0 | 0 | 0 | 107.6 | E445 Y446 V448 I462 T501 L504 V527 L532 | L439-E445 CarbonylContact O-C 3.57Å; L439-E445 WeakPolarHBondContact O-CA 3.35Å; L439-Y446 PolarHBondContact N-O 3.42Å; L439-Y446 PolarHBondContact O-N 2.86Å; L439-V448 HydrophobicContact CD1-CG2 3.73Å; L439-V448 HydrophobicContact CD2-CG2 4.1Å; L439-V448 HydrophobicContact CG-CG2 3.52Å; L439-I462 HydrophobicContact CD1-CG1 4.42Å; L439-I462 HydrophobicContact CD1-CG2 4.37Å; L439-T501 HydrophobicContact CB-CG2 4.37Å; L439-T501 HydrophobicContact CD2-CG2 3.73Å; L439-L504 HydrophobicContact CD2-CB 4.04Å; L439-L504 HydrophobicContact CD2-CD1 4.13Å; L439-L504 HydrophobicContact CD2-CD2 4.46Å; L439-L504 HydrophobicContact CD2-CG 4.43Å; L439-V527 HydrophobicContact CB-CG1 4.3Å; L439-V527 HydrophobicContact CD1-CG1 3.85Å; L439-V527 HydrophobicContact CD1-CG2 4.05Å; L439-V527 HydrophobicContact CD2-CG2 4.22Å; L439-L532 HydrophobicContact CD1-CD2 4.13Å |
| 440 | T | 93.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 19.6 Ų | 19.6 | 15% | 0.147 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.8 | 172.4 | -174.9 | 0 | 0 | 0 | 0 | 110.5 | Q385 G442 T444 K499 T501 | Q385-T440 PolarHBondContact OE1-OG1 2.82Å; T440-G442 VanDerWaalsContact C-N 3.32Å; T440-G442 PolarHBondContact OG1-N 2.59Å; T440-G442 VanDerWaalsContact OG1-N 3.13Å; T440-T444 WeakPolarHBondContact CA-O 3.32Å; T440-T444 PolarHBondContact OG1-O 3.28Å; T440-K499 WeakPolarHBondContact CG2-O 3.33Å; T440-T501 PolarHBondContact N-OG1 2.96Å; T440-T501 PolarHBondContact O-N 2.88Å |
| 441 | D | 89.4 | Confident | 95.1 | Very high | 44 Ų | 44 | 19.5 Ų | 19.5 | 24% | 0.235 | 12% | 0.121 | C | C | . | . | trans | -97.8 | 15.5 | 168.2 | 74.5 | 5.4 | 0 | 0 | 0 | 112.3 | S443 T444 Y446 | D441-S443 PolarHBondContact O-N 3.31Å; D441-S443 WeakPolarHBondContact OD1-CA 3.35Å; D441-S443 PolarHBondContact OD1-N 2.91Å; D441-S443 PolarHBondContact OD1-OG 2.85Å; D441-T444 PolarHBondContact N-O 3.48Å; D441-T444 VanDerWaalsContact N-O 3.14Å; D441-T444 PolarHBondContact OD1-N 2.86Å; D441-Y446 HydrophobicContact CB-CE2 4.31Å; D441-Y446 PolarHBondContact OD2-OH 3.12Å | ||
| 442 | G | 86.8 | Confident | 95.2 | Very high | 44 Ų | 44 | 18.5 Ų | 18.5 | 45% | 0.454 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 85.9 | -36.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T440 | T440-G442 VanDerWaalsContact C-N 3.32Å; T440-G442 PolarHBondContact OG1-N 2.59Å; T440-G442 VanDerWaalsContact OG1-N 3.13Å |
| 443 | S | 86.9 | Confident | 95 | Very high | 91 Ų | 91 | 24 Ų | 24 | 64% | 0.636 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -94.4 | -40 | 179.8 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | D441 | D441-S443 PolarHBondContact O-N 3.31Å; D441-S443 WeakPolarHBondContact OD1-CA 3.35Å; D441-S443 PolarHBondContact OD1-N 2.91Å; D441-S443 PolarHBondContact OD1-OG 2.85Å |
| 444 | T | 90.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 24 Ų | 24 | 34% | 0.344 | 14% | 0.136 | S | C | . | . | trans | -127.8 | 131.1 | -170.1 | -55.5 | 0 | 0 | 0 | 0 | 109 | T440 D441 Y446 | T440-T444 WeakPolarHBondContact CA-O 3.32Å; T440-T444 PolarHBondContact OG1-O 3.28Å; D441-T444 PolarHBondContact N-O 3.48Å; D441-T444 VanDerWaalsContact N-O 3.14Å; D441-T444 PolarHBondContact OD1-N 2.86Å; T444-Y446 HydrophobicContact CG2-CE1 4.12Å; T444-Y446 HydrophobicContact CG2-CE2 4.08Å; T444-Y446 WeakPolarHBondContact O-CE2 3.45Å | ||
| 445 | E | 92.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 25.6 Ų | 25.6 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.8 | 171.1 | -163.4 | 177.6 | -155.3 | 0 | 0 | 110.2 | S383 Q385 Q386 T438 L439 | S383-E445 WeakPolarHBondContact CB-OE1 3.25Å; S383-E445 PolarHBondContact OG-OE1 3.19Å; S383-E445 VanDerWaalsContact OG-OE1 3.07Å; S383-E445 PolarHBondContact OG-OE2 2.89Å; Q385-E445 HydrophobicContact CB-CB 4.43Å; Q386-E445 WeakPolarHBondContact CG-OE2 3.42Å; Q386-E445 PolarHBondContact N-OE2 3.07Å; T438-E445 WeakPolarHBondContact CB-OE1 3.43Å; T438-E445 HydrophobicContact CG2-CG 4.41Å; T438-E445 PolarHBondContact OG1-OE1 2.89Å; L439-E445 CarbonylContact O-C 3.57Å; L439-E445 WeakPolarHBondContact O-CA 3.35Å |
| 446 | Y | 95.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 28.2 Ų | 28.2 | 8% | 0.078 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.2 | 176.8 | -55.1 | -90.9 | 0 | 0 | 0 | 109.5 | T438 L439 D441 T444 I462 T464 V474 K529 | T438-Y446 CarbonylContact C-O 3.47Å; T438-Y446 VanDerWaalsContact CA-O 3.25Å; T438-Y446 WeakPolarHBondContact CA-O 3.21Å; T438-Y446 WeakPolarHBondContact CB-O 3.44Å; L439-Y446 PolarHBondContact N-O 3.42Å; L439-Y446 PolarHBondContact O-N 2.86Å; D441-Y446 HydrophobicContact CB-CE2 4.31Å; D441-Y446 PolarHBondContact OD2-OH 3.12Å; T444-Y446 HydrophobicContact CG2-CE1 4.12Å; T444-Y446 HydrophobicContact CG2-CE2 4.08Å; T444-Y446 WeakPolarHBondContact O-CE2 3.45Å; Y446-I462 HydrophobicContact CD1-CG2 4.43Å; Y446-I462 HydrophobicContact CG-CG2 4.43Å; Y446-T464 HydrophobicContact CD1-CG2 3.6Å; Y446-T464 HydrophobicContact CE1-CG2 3.91Å; Y446-V474 HydrophobicContact CD1-CG1 4.46Å; Y446-V474 HydrophobicContact CD1-CG2 4.13Å; Y446-V474 HydrophobicContact CE1-CG1 4.31Å; Y446-V474 HydrophobicContact CE1-CG2 4.28Å; Y446-K529 WeakPolarHBondContact OH-CA 3.47Å; Y446-K529 PolarHBondContact OH-O 3.22Å |
| 447 | F | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138.4 | 177.3 | -60.8 | -69.8 | 0 | 0 | 0 | 110.2 | M388 M390 H405 T438 I462 Y463 V465 | M388-F447 HydrophobicContact CE-CE1 4.02Å; M388-F447 HydrophobicContact CE-CE2 4.37Å; M388-F447 HydrophobicContact CE-CZ 3.55Å; M388-F447 HydrophobicContact SD-CE1 4.25Å; M388-F447 HydrophobicContact SD-CZ 4.36Å; M390-F447 HydrophobicContact CE-CB 3.71Å; M390-F447 HydrophobicContact CE-CD1 3.66Å; M390-F447 HydrophobicContact CE-CG 4.07Å; M390-F447 HydrophobicContact CG-CD1 4.25Å; M390-F447 HydrophobicContact CG-CE1 4.47Å; M390-F447 HydrophobicContact SD-CD1 3.51Å; M390-F447 VanDerWaalsContact SD-CD1 3.51Å; M390-F447 HydrophobicContact SD-CE1 4.16Å; M390-F447 HydrophobicContact SD-CG 4.47Å; H405-F447 AromaticContact CE1-CD2 3.81Å; H405-F447 AromaticContact CE1-CE2 3.83Å; H405-F447 AromaticContact CE1-CG 3.91Å; H405-F447 AromaticContact CE1-CZ 3.95Å; T438-F447 HydrophobicContact CG2-CD1 3.8Å; T438-F447 HydrophobicContact CG2-CE1 4.21Å; F447-I462 CarbonylContact O-C 3.41Å; F447-I462 WeakPolarHBondContact O-CA 3.49Å; F447-Y463 HydrophobicContact CB-CD1 4.01Å; F447-Y463 HydrophobicContact CB-CD2 4.02Å; F447-Y463 HydrophobicContact CB-CE1 3.6Å; F447-Y463 HydrophobicContact CB-CE2 3.62Å; F447-Y463 HydrophobicContact CB-CG 4.2Å; F447-Y463 WeakPolarHBondContact CB-O 3.33Å; F447-Y463 HydrophobicContact CD2-CD2 4.32Å; F447-Y463 HydrophobicContact CD2-CE2 4.06Å; F447-Y463 HydrophobicContact CG-CE2 4.09Å; F447-Y463 PolarHBondContact N-O 3.03Å; F447-Y463 WeakPolarHBondContact O-CD1 3.34Å; F447-Y463 PolarHBondContact O-N 3.03Å; F447-V465 HydrophobicContact CD2-CG2 3.94Å; F447-V465 HydrophobicContact CE2-CB 4.35Å; F447-V465 HydrophobicContact CE2-CG2 3.77Å |
| 448 | V | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.7 | -179.7 | -167.8 | 0 | 0 | 0 | 0 | 110 | L436 T437 L439 V460 I461 I462 L490 L504 | L436-V448 WeakPolarHBondContact CA-O 3.23Å; T437-V448 HydrophobicContact CG2-CB 3.81Å; T437-V448 HydrophobicContact CG2-CG1 4.34Å; T437-V448 HydrophobicContact CG2-CG2 4.1Å; T437-V448 PolarHBondContact N-O 2.82Å; T437-V448 PolarHBondContact O-N 3.47Å; L439-V448 HydrophobicContact CD1-CG2 3.73Å; L439-V448 HydrophobicContact CD2-CG2 4.1Å; L439-V448 HydrophobicContact CG-CG2 3.52Å; V448-V460 HydrophobicContact CG1-CG1 3.38Å; V448-I461 CarbonylContact C-O 3.56Å; V448-I461 WeakPolarHBondContact CA-O 3.49Å; V448-I462 HydrophobicContact CG1-CG1 4.35Å; V448-I462 HydrophobicContact CG2-CG1 4.24Å; V448-L490 HydrophobicContact CB-CD1 4.41Å; V448-L490 HydrophobicContact CG1-CD1 3.77Å; V448-L504 HydrophobicContact CG1-CD2 4.14Å |
| 449 | A | 98.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V403 L432 L436 I461 Y463 | V403-A449 HydrophobicContact CG2-CB 3.75Å; L432-A449 HydrophobicContact CD1-CB 3.65Å; L432-A449 HydrophobicContact CG-CB 4.49Å; L436-A449 HydrophobicContact CD2-CB 3.84Å; A449-I461 PolarHBondContact N-O 2.8Å; A449-I461 PolarHBondContact O-N 2.8Å; A449-Y463 HydrophobicContact CB-CE1 4.16Å |
| 450 | G | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G433 Y434 A435 G487 | G433-G450 PolarHBondContact N-O 2.83Å; Y434-G450 PolarHBondContact N-O 3.4Å; A435-G450 PolarHBondContact O-N 3.17Å; G450-G487 VanDerWaalsContact CA-O 3.26Å; G450-G487 WeakPolarHBondContact CA-O 3.46Å |
| 451 | A | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 74.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L423 S430 L432 R453 S454 G458 Q459 | L423-A451 HydrophobicContact CD2-CB 4.14Å; S430-A451 CarbonylContact O-C 3.34Å; S430-A451 VanDerWaalsContact O-C 3.27Å; S430-A451 WeakPolarHBondContact O-CA 3.39Å; L432-A451 HydrophobicContact CB-CB 4.11Å; L432-A451 HydrophobicContact CD1-CB 3.98Å; A451-R453 PolarHBondContact O-N 2.95Å; A451-S454 WeakPolarHBondContact O-CB 3.43Å; A451-S454 PolarHBondContact O-N 2.81Å; A451-G458 WeakPolarHBondContact O-CA 3.26Å; A451-Q459 PolarHBondContact N-O 2.84Å; A451-Q459 PolarHBondContact O-N 2.7Å |
| 452 | P | 96.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -9.5 | -166.9 | 27.6 | -36.2 | 0 | 0 | 0 | 114.9 | Y434 G458 Y485 F486 | Y434-P452 VanDerWaalsContact CB-CD 3.47Å; Y434-P452 HydrophobicContact CD1-CG 4.08Å; Y434-P452 HydrophobicContact CD2-CG 3.99Å; Y434-P452 HydrophobicContact CG-CG 3.65Å; P452-G458 WeakPolarHBondContact O-CA 3.37Å; P452-Y485 HydrophobicContact CB-CD1 4.02Å; P452-Y485 HydrophobicContact CB-CD2 3.78Å; P452-Y485 HydrophobicContact CB-CE1 4.13Å; P452-Y485 HydrophobicContact CB-CE2 3.91Å; P452-Y485 HydrophobicContact CB-CG 3.82Å; P452-Y485 HydrophobicContact CG-CD1 4.46Å; P452-Y485 HydrophobicContact CG-CD2 4.4Å; P452-Y485 HydrophobicContact CG-CE1 4.06Å; P452-Y485 HydrophobicContact CG-CE2 4.02Å; P452-F486 WeakPolarHBondContact CA-O 3.35Å |
| 453 | R | 93.6 | Very high | 94 | Very high | 116 Ų | 116 | 22.4 Ų | 22.4 | 44% | 0.438 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 0.7 | 174.6 | -69.4 | -169.7 | 66.2 | 144.4 | 0.2 | 114.2 | S429 S430 L431 A451 N455 H456 Y485 | S429-R453 WeakPolarHBondContact O-CB 3.26Å; S430-R453 PolarHBondContact O-N 2.86Å; L431-R453 HydrophobicContact CD1-CB 4.43Å; L431-R453 HydrophobicContact CD1-CG 3.81Å; L431-R453 HydrophobicContact CG-CB 4.3Å; L431-R453 HydrophobicContact CG-CG 4.23Å; A451-R453 PolarHBondContact O-N 2.95Å; R453-N455 PolarHBondContact O-N 2.82Å; R453-N455 VanDerWaalsContact O-N 3.14Å; R453-H456 PolarHBondContact O-N 3.08Å; R453-Y485 HydrophobicContact CG-CD2 4.46Å; R453-Y485 HydrophobicContact CG-CE2 3.83Å |
| 454 | S | 91.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -54.8 | 121.3 | 174.2 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | S430 A451 H456 S457 G458 Q459 R478 | S430-S454 PolarHBondContact O-N 2.83Å; A451-S454 WeakPolarHBondContact O-CB 3.43Å; A451-S454 PolarHBondContact O-N 2.81Å; S454-H456 PolarHBondContact O-N 2.89Å; S454-S457 PolarHBondContact O-N 3.05Å; S454-G458 PolarHBondContact O-N 3.33Å; S454-Q459 PolarHBondContact OG-OE1 3.23Å; S454-R478 PolarHBondContact OG-NH1 2.87Å |
| 455 | N | 87.6 | Confident | 94.2 | Very high | 92 Ų | 92 | 19.2 Ų | 19.2 | 49% | 0.492 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | 47.9 | 27.9 | -173.7 | -163.3 | 29.7 | 0 | 0 | 0 | 114.2 | R453 S457 | R453-N455 PolarHBondContact O-N 2.82Å; R453-N455 VanDerWaalsContact O-N 3.14Å; N455-S457 PolarHBondContact O-N 3.21Å |
| 456 | H | 88.8 | Confident | 93.8 | Very high | 66 Ų | 66 | 21 Ų | 21 | 31% | 0.306 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | 59.2 | -9 | -173.5 | -49.5 | 93.1 | 0 | 0 | 0 | 116.8 | H428 R453 S454 I482 G483 | H428-H456 AromaticContact CD2-CE1 3.06Å; H428-H456 PolarHBondContact CD2-CE1 2.87Å; H428-H456 AromaticContact CD2-NE2 3.39Å; H428-H456 PolarHBondContact CD2-NE2 3.38Å; H428-H456 AromaticContact CG-CE1 3.84Å; H428-H456 AromaticContact NE2-CE1 3.26Å; H428-H456 PolarHBondContact NE2-CE1 3.29Å; H428-H456 VanDerWaalsContact NE2-CE1 3.26Å; H428-H456 AromaticContact NE2-NE2 3.88Å; R453-H456 PolarHBondContact O-N 3.08Å; S454-H456 PolarHBondContact O-N 2.89Å; H456-I482 HydrophobicContact CB-CD1 3.72Å; H456-I482 HydrophobicContact CB-CG1 3.53Å; H456-G483 PolarHBondContact O-N 3.25Å |
| 457 | S | 91 | Very high | 92.9 | Very high | 12 Ų | 12 | 26 Ų | 26 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -20.4 | 176.5 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | S454 N455 G479 Q481 S484 F486 | S454-S457 PolarHBondContact O-N 3.05Å; N455-S457 PolarHBondContact O-N 3.21Å; S457-G479 WeakPolarHBondContact CB-O 3.45Å; S457-G479 PolarHBondContact OG-O 3.27Å; S457-Q481 WeakPolarHBondContact CA-O 3.26Å; S457-S484 PolarHBondContact O-OG 3.19Å; S457-F486 WeakPolarHBondContact O-CB 3.47Å |
| 458 | G | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | 93.2 | 157 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A451 P452 S454 G479 F486 | A451-G458 WeakPolarHBondContact O-CA 3.26Å; P452-G458 WeakPolarHBondContact O-CA 3.37Å; S454-G458 PolarHBondContact O-N 3.33Å; G458-G479 PolarHBondContact O-N 2.75Å; G458-F486 WeakPolarHBondContact CA-O 3.4Å |
| 459 | Q | 94.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 151.1 | -178.6 | -166.7 | 173.4 | 12.7 | 0 | 0 | 110.7 | A451 S454 I461 E477 F486 | A451-Q459 PolarHBondContact N-O 2.84Å; A451-Q459 PolarHBondContact O-N 2.7Å; S454-Q459 PolarHBondContact OG-OE1 3.23Å; Q459-I461 HydrophobicContact CG-CG1 4.37Å; Q459-E477 CarbonylContact C-O 3.51Å; Q459-E477 VanDerWaalsContact CA-O 3.25Å; Q459-E477 WeakPolarHBondContact CA-O 3.36Å; Q459-E477 WeakPolarHBondContact CG-O 3.27Å; Q459-F486 PolarHBondContact N-O 2.75Å |
| 460 | V | 97 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135 | 169.7 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | V448 I462 T476 E477 F486 L490 L504 V506 | V448-V460 HydrophobicContact CG1-CG1 3.38Å; V460-I462 HydrophobicContact CG1-CD1 4.3Å; V460-T476 CarbonylContact O-C 3.52Å; V460-T476 VanDerWaalsContact O-CA 3.23Å; V460-T476 WeakPolarHBondContact O-CA 3.41Å; V460-E477 PolarHBondContact N-O 3.47Å; V460-E477 PolarHBondContact O-N 2.98Å; V460-F486 HydrophobicContact CB-CE1 4.42Å; V460-F486 HydrophobicContact CG2-CD1 4.26Å; V460-F486 HydrophobicContact CG2-CE1 3.71Å; V460-F486 HydrophobicContact CG2-CZ 4.32Å; V460-L490 HydrophobicContact CG1-CD2 4.04Å; V460-L490 HydrophobicContact CG2-CD2 3.78Å; V460-L504 HydrophobicContact CG1-CD2 4.34Å; V460-V506 HydrophobicContact CG2-CG1 3.75Å; V460-V506 HydrophobicContact CG2-CG2 4.16Å |
| 461 | I | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130 | -177.8 | -57 | 179.3 | 0 | 0 | 0 | 108.6 | F419 T422 L423 L432 V448 A449 Q459 Y463 V473 T476 | F419-I461 HydrophobicContact CD1-CG2 4.42Å; F419-I461 HydrophobicContact CE1-CG2 4.42Å; T422-I461 HydrophobicContact CG2-CD1 3.74Å; T422-I461 HydrophobicContact CG2-CG1 4.13Å; L423-I461 HydrophobicContact CD2-CD1 3.74Å; L423-I461 HydrophobicContact CG-CD1 4.3Å; L432-I461 HydrophobicContact CD1-CD1 3.89Å; L432-I461 HydrophobicContact CD1-CG1 4.5Å; L432-I461 HydrophobicContact CD2-CD1 4.44Å; V448-I461 CarbonylContact C-O 3.56Å; V448-I461 WeakPolarHBondContact CA-O 3.49Å; A449-I461 PolarHBondContact N-O 2.8Å; A449-I461 PolarHBondContact O-N 2.8Å; Q459-I461 HydrophobicContact CG-CG1 4.37Å; I461-Y463 HydrophobicContact CG2-CD1 4.49Å; I461-V473 HydrophobicContact CG2-CG1 4.07Å; I461-V473 HydrophobicContact CG2-CG2 4.1Å; I461-T476 HydrophobicContact CG1-CG2 4.41Å; I461-T476 HydrophobicContact CG2-CG2 4.41Å |
| 462 | I | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.7 | 177 | -54.6 | 84.7 | 0 | 0 | 0 | 107.2 | L439 Y446 F447 V448 V460 V474 D475 L532 | L439-I462 HydrophobicContact CD1-CG1 4.42Å; L439-I462 HydrophobicContact CD1-CG2 4.37Å; Y446-I462 HydrophobicContact CD1-CG2 4.43Å; Y446-I462 HydrophobicContact CG-CG2 4.43Å; F447-I462 CarbonylContact O-C 3.41Å; F447-I462 WeakPolarHBondContact O-CA 3.49Å; V448-I462 HydrophobicContact CG1-CG1 4.35Å; V448-I462 HydrophobicContact CG2-CG1 4.24Å; V460-I462 HydrophobicContact CG1-CD1 4.3Å; I462-V474 HydrophobicContact CG2-CB 4.47Å; I462-V474 PolarHBondContact O-N 2.97Å; I462-D475 HydrophobicContact CB-CB 4.05Å; I462-D475 HydrophobicContact CD1-CB 3.9Å; I462-D475 HydrophobicContact CG1-CB 4.38Å; I462-D475 PolarHBondContact N-O 2.99Å; I462-D475 PolarHBondContact O-N 3.2Å; I462-D475 VanDerWaalsContact O-N 3.09Å; I462-L532 HydrophobicContact CD1-CD1 3.36Å; I462-L532 HydrophobicContact CD1-CG 3.74Å; I462-L532 HydrophobicContact CG1-CD1 4.16Å; I462-L532 HydrophobicContact CG1-CG 4.28Å |
| 463 | Y | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.2 | -176.4 | 66.4 | -81.3 | 0 | 0 | 0 | 111.9 | M390 H405 F414 F419 F447 A449 I461 V465 P471 A472 | M390-Y463 WeakPolarHBondContact CE-OH 3.5Å; H405-Y463 AromaticContact CE1-CE2 3.8Å; H405-Y463 AromaticContact NE2-CE2 3.84Å; H405-Y463 AromaticContact NE2-CZ 3.82Å; H405-Y463 PolarHBondContact NE2-OH 3.14Å; F414-Y463 HydrophobicContact CE2-CE2 4.02Å; F414-Y463 HydrophobicContact CZ-CE2 4.5Å; F419-Y463 HydrophobicContact CE1-CD1 4.28Å; F419-Y463 HydrophobicContact CE1-CG 4.3Å; F419-Y463 HydrophobicContact CZ-CE1 4.48Å; F447-Y463 HydrophobicContact CB-CD1 4.01Å; F447-Y463 HydrophobicContact CB-CD2 4.02Å; F447-Y463 HydrophobicContact CB-CE1 3.6Å; F447-Y463 HydrophobicContact CB-CE2 3.62Å; F447-Y463 HydrophobicContact CB-CG 4.2Å; F447-Y463 WeakPolarHBondContact CB-O 3.33Å; F447-Y463 HydrophobicContact CD2-CD2 4.32Å; F447-Y463 HydrophobicContact CD2-CE2 4.06Å; F447-Y463 HydrophobicContact CG-CE2 4.09Å; F447-Y463 PolarHBondContact N-O 3.03Å; F447-Y463 WeakPolarHBondContact O-CD1 3.34Å; F447-Y463 PolarHBondContact O-N 3.03Å; A449-Y463 HydrophobicContact CB-CE1 4.16Å; I461-Y463 HydrophobicContact CG2-CD1 4.49Å; Y463-V465 HydrophobicContact CD2-CG2 4.39Å; Y463-V465 HydrophobicContact CE2-CG2 4.23Å; Y463-P471 HydrophobicContact CD2-CB 3.69Å; Y463-P471 HydrophobicContact CE2-CB 4.23Å; Y463-P471 HydrophobicContact CG-CB 4.42Å; Y463-A472 CarbonylContact C-O 3.55Å; Y463-A472 VanDerWaalsContact CA-O 3.23Å; Y463-A472 WeakPolarHBondContact CA-O 3.26Å; Y463-A472 WeakPolarHBondContact CB-O 3.28Å |
| 464 | T | 92.9 | Very high | 89.1 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 167.7 | 167.5 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | Y446 P471 A472 V474 | Y446-T464 HydrophobicContact CD1-CG2 3.6Å; Y446-T464 HydrophobicContact CE1-CG2 3.91Å; T464-P471 CarbonylContact O-C 3.56Å; T464-P471 VanDerWaalsContact O-CA 3.25Å; T464-P471 WeakPolarHBondContact O-CA 3.4Å; T464-A472 PolarHBondContact N-O 2.9Å; T464-A472 PolarHBondContact O-N 3.2Å; T464-V474 HydrophobicContact CG2-CG2 3.85Å |
| 465 | V | 88.6 | Confident | 88.9 | Confident | 44 Ų | 44 | 47 Ų | 47 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.2 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | F414 F447 Y463 Q470 | F414-V465 HydrophobicContact CZ-CG2 3.9Å; F447-V465 HydrophobicContact CD2-CG2 3.94Å; F447-V465 HydrophobicContact CE2-CB 4.35Å; F447-V465 HydrophobicContact CE2-CG2 3.77Å; Y463-V465 HydrophobicContact CD2-CG2 4.39Å; Y463-V465 HydrophobicContact CE2-CG2 4.23Å; V465-Q470 WeakPolarHBondContact CA-O 3.39Å |
| 466 | N | 82.2 | Confident | 89.1 | Confident | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | trans | -73.9 | 169.1 | -179.7 | 74 | 11.1 | 0 | 0 | 0 | 111.6 | Q468 K469 Q470 | N466-Q468 PolarHBondContact O-N 3.29Å; N466-Q468 VanDerWaalsContact O-N 3.1Å; N466-Q468 VanDerWaalsContact OD1-C 3.29Å; N466-Q468 WeakPolarHBondContact OD1-CA 3.42Å; N466-Q468 WeakPolarHBondContact OD1-CB 3.45Å; N466-Q468 PolarHBondContact OD1-N 2.99Å; N466-K469 WeakPolarHBondContact O-CA 3.41Å; N466-K469 PolarHBondContact O-N 3Å; N466-K469 PolarHBondContact OD1-N 3Å; N466-K469 VanDerWaalsContact OD1-N 3.12Å; N466-Q470 PolarHBondContact N-O 2.77Å; N466-Q470 PolarHBondContact OD1-N 3.21Å; N466-Q470 PolarHBondContact OD1-O 3.12Å | ||
| 467 | P | 76.6 | Confident | 89.2 | Confident | 125 Ų | 125 | 43.2 Ų | 43.2 | 81% | 0.812 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.8 | 178.4 | -26.8 | 36.4 | 0 | 0 | 0 | 114.5 | K469 | P467-K469 PolarHBondContact O-N 3.29Š|
| 468 | Q | 77 | Confident | 89.1 | Confident | 136 Ų | 136 | 46 Ų | 46 | 64% | 0.636 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 7.1 | 174.7 | -62.4 | 75.2 | 17.3 | 0 | 0 | 113.1 | N466 Q470 | N466-Q468 PolarHBondContact O-N 3.29Å; N466-Q468 VanDerWaalsContact O-N 3.1Å; N466-Q468 VanDerWaalsContact OD1-C 3.29Å; N466-Q468 WeakPolarHBondContact OD1-CA 3.42Å; N466-Q468 WeakPolarHBondContact OD1-CB 3.45Å; N466-Q468 PolarHBondContact OD1-N 2.99Å; Q468-Q470 VanDerWaalsContact C-N 3.29Å; Q468-Q470 PolarHBondContact O-N 2.9Å |
| 469 | K | 80.9 | Confident | 89 | Confident | 125 Ų | 125 | 46.3 Ų | 46.3 | 54% | 0.543 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 61.7 | 31 | -178.2 | -55.5 | -177.2 | 178.8 | -178.6 | 0 | 114.2 | T412 N466 P467 | T412-K469 HydrophobicContact CG2-CB 4.48Å; N466-K469 WeakPolarHBondContact O-CA 3.41Å; N466-K469 PolarHBondContact O-N 3Å; N466-K469 PolarHBondContact OD1-N 3Å; N466-K469 VanDerWaalsContact OD1-N 3.12Å; P467-K469 PolarHBondContact O-N 3.29Å |
| 470 | Q | 83.9 | Confident | 88.8 | Confident | 121 Ų | 121 | 52.9 Ų | 52.9 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | trans | -105.6 | 140.3 | 173.6 | -62.2 | -179.1 | -23.9 | 0 | 0 | 110.2 | V465 N466 Q468 | V465-Q470 WeakPolarHBondContact CA-O 3.39Å; N466-Q470 PolarHBondContact N-O 2.77Å; N466-Q470 PolarHBondContact OD1-N 3.21Å; N466-Q470 PolarHBondContact OD1-O 3.12Å; Q468-Q470 VanDerWaalsContact C-N 3.29Å; Q468-Q470 PolarHBondContact O-N 2.9Å | ||
| 471 | P | 89.6 | Confident | 88.6 | Confident | 20 Ų | 20 | 55 Ų | 55 | 13% | 0.13 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.6 | 178 | 32.3 | -32 | 0 | 0 | 0 | 109.6 | F414 A418 F419 Y463 T464 | F414-P471 HydrophobicContact CB-CG 4.41Å; F414-P471 HydrophobicContact CD1-CB 4.46Å; F414-P471 HydrophobicContact CD1-CG 3.82Å; F414-P471 HydrophobicContact CD2-CG 4.46Å; F414-P471 HydrophobicContact CE1-CB 4.36Å; F414-P471 HydrophobicContact CE1-CG 4.16Å; F414-P471 HydrophobicContact CG-CG 3.98Å; F414-P471 HydrophobicContact CZ-CB 4.43Å; A418-P471 HydrophobicContact CB-CG 3.51Å; F419-P471 HydrophobicContact CE1-CB 4.25Å; F419-P471 HydrophobicContact CE1-CG 4.41Å; F419-P471 HydrophobicContact CE2-CG 4.42Å; F419-P471 HydrophobicContact CZ-CB 3.98Å; F419-P471 HydrophobicContact CZ-CG 4Å; Y463-P471 HydrophobicContact CD2-CB 3.69Å; Y463-P471 HydrophobicContact CE2-CB 4.23Å; Y463-P471 HydrophobicContact CG-CB 4.42Å; T464-P471 CarbonylContact O-C 3.56Å; T464-P471 VanDerWaalsContact O-CA 3.25Å; T464-P471 WeakPolarHBondContact O-CA 3.4Å |
| 472 | A | 89.5 | Confident | 88.5 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 112.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y463 T464 V474 | Y463-A472 CarbonylContact C-O 3.55Å; Y463-A472 VanDerWaalsContact CA-O 3.23Å; Y463-A472 WeakPolarHBondContact CA-O 3.26Å; Y463-A472 WeakPolarHBondContact CB-O 3.28Å; T464-A472 PolarHBondContact N-O 2.9Å; T464-A472 PolarHBondContact O-N 3.2Å; A472-V474 PolarHBondContact O-N 3.18Å |
| 473 | V | 89.2 | Confident | 88.3 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 32% | 0.315 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 120.4 | 177.9 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | F419 I461 T476 | F419-V473 HydrophobicContact CD1-CG2 4.18Å; F419-V473 HydrophobicContact CE1-CG2 4.36Å; I461-V473 HydrophobicContact CG2-CG1 4.07Å; I461-V473 HydrophobicContact CG2-CG2 4.1Å; V473-T476 HydrophobicContact CG1-CG2 3.63Å |
| 474 | V | 88.6 | Confident | 88.4 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -43.2 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | Y446 I462 T464 A472 I531 | Y446-V474 HydrophobicContact CD1-CG1 4.46Å; Y446-V474 HydrophobicContact CD1-CG2 4.13Å; Y446-V474 HydrophobicContact CE1-CG1 4.31Å; Y446-V474 HydrophobicContact CE1-CG2 4.28Å; I462-V474 HydrophobicContact CG2-CB 4.47Å; I462-V474 PolarHBondContact O-N 2.97Å; T464-V474 HydrophobicContact CG2-CG2 3.85Å; A472-V474 PolarHBondContact O-N 3.18Å; V474-I531 HydrophobicContact CG1-CD1 4.09Å |
| 475 | D | 89.3 | Confident | 88.6 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 160.1 | -175.3 | -163.2 | 15.1 | 0 | 0 | 0 | 113.6 | I462 I531 L532 K1062 | I462-D475 HydrophobicContact CB-CB 4.05Å; I462-D475 HydrophobicContact CD1-CB 3.9Å; I462-D475 HydrophobicContact CG1-CB 4.38Å; I462-D475 PolarHBondContact N-O 2.99Å; I462-D475 PolarHBondContact O-N 3.2Å; I462-D475 VanDerWaalsContact O-N 3.09Å; D475-I531 HydrophobicContact CB-CD1 4.17Å; D475-I531 WeakPolarHBondContact OD2-CA 3.49Å; D475-L532 PolarHBondContact OD2-N 2.86Å; D475-K1062 IonicContact OD1-NZ 3.14Å; D475-K1062 PolarHBondContact OD1-NZ 2.91Å; D475-K1062 IonicContact OD2-NZ 3.72Å; D475-K1062 PolarHBondContact OD2-NZ 2.88Å |
| 476 | T | 90 | Very high | 89.1 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 135.2 | 175.3 | 73.6 | 0 | 0 | 0 | 0 | 111.2 | T422 V460 I461 V473 | T422-T476 HydrophobicContact CG2-CG2 3.4Å; V460-T476 CarbonylContact O-C 3.52Å; V460-T476 VanDerWaalsContact O-CA 3.23Å; V460-T476 WeakPolarHBondContact O-CA 3.41Å; I461-T476 HydrophobicContact CG1-CG2 4.41Å; I461-T476 HydrophobicContact CG2-CG2 4.41Å; V473-T476 HydrophobicContact CG1-CG2 3.63Å |
| 477 | E | 91 | Very high | 89.8 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.9 | 174 | -72.6 | -57 | 147.5 | 0 | 0 | 111 | Q459 V460 F486 F525 L532 K1062 | Q459-E477 CarbonylContact C-O 3.51Å; Q459-E477 VanDerWaalsContact CA-O 3.25Å; Q459-E477 WeakPolarHBondContact CA-O 3.36Å; Q459-E477 WeakPolarHBondContact CG-O 3.27Å; V460-E477 PolarHBondContact N-O 3.47Å; V460-E477 PolarHBondContact O-N 2.98Å; E477-F486 HydrophobicContact CB-CE1 4.48Å; E477-F525 HydrophobicContact CB-CE1 4.42Å; E477-F525 HydrophobicContact CB-CZ 4.48Å; E477-F525 HydrophobicContact CG-CD1 4.35Å; E477-F525 HydrophobicContact CG-CE1 3.99Å; E477-L532 HydrophobicContact CB-CD1 4.26Å; E477-L532 HydrophobicContact CG-CB 3.75Å; E477-L532 HydrophobicContact CG-CD1 3.59Å; E477-L532 HydrophobicContact CG-CG 4.23Å; E477-K1062 IonicContact OE1-NZ 3.01Å |
| 478 | R | 90.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 53 Ų | 53 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.8 | -175.8 | -168.9 | -178.8 | -73.7 | -77.5 | 8.7 | 111.1 | S454 | S454-R478 PolarHBondContact OG-NH1 2.87Å |
| 479 | G | 90.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | trans | -62.1 | 137.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S457 G458 | S457-G479 WeakPolarHBondContact CB-O 3.45Å; S457-G479 PolarHBondContact OG-O 3.27Å; G458-G479 PolarHBondContact O-N 2.75Å | ||
| 480 | K | 89.8 | Confident | 92.7 | Very high | 143 Ų | 143 | 42.5 Ų | 42.5 | 62% | 0.622 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -79.1 | -18.9 | -176 | -62.7 | 179.9 | -179.9 | 175.4 | 0 | 114 | E534 | K480-E534 WeakPolarHBondContact CE-OE2 3.25Å; K480-E534 IonicContact NZ-OE1 3.84Å; K480-E534 PolarHBondContact NZ-OE1 3.19Å; K480-E534 IonicContact NZ-OE2 3.99Å; K480-E534 PolarHBondContact NZ-OE2 3.17Å |
| 481 | Q | 94.3 | Very high | 93.3 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -127.6 | 131.1 | -175.6 | -174.6 | -173.2 | 90 | 0 | 0 | 111.5 | S457 S484 Y511 M512 | S457-Q481 WeakPolarHBondContact CA-O 3.26Å; Q481-S484 VanDerWaalsContact O-CB 3.27Å; Q481-S484 WeakPolarHBondContact O-CB 3.33Å; Q481-S484 PolarHBondContact O-N 3.29Å; Q481-S484 PolarHBondContact O-OG 2.94Å; Q481-Y511 HydrophobicContact CB-CD2 4.2Å; Q481-Y511 HydrophobicContact CB-CE2 4.15Å; Q481-M512 PolarHBondContact NE2-O 2.81Å; Q481-M512 PolarHBondContact OE1-O 3.5Å |
| 482 | I | 93 | Very high | 93.7 | Very high | 115 Ų | 115 | 37.3 Ų | 37.3 | 59% | 0.59 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 138.1 | 173 | -170.4 | 164.3 | 0 | 0 | 0 | 111.4 | H456 S484 | H456-I482 HydrophobicContact CB-CD1 3.72Å; H456-I482 HydrophobicContact CB-CG1 3.53Å; I482-S484 PolarHBondContact O-N 2.98Å |
| 483 | G | 93.1 | Very high | 94 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 41% | 0.412 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H456 Y485 M510 | H456-G483 PolarHBondContact O-N 3.25Å; G483-Y485 PolarHBondContact O-N 2.86Å; G483-M510 WeakPolarHBondContact O-CB 3.28Å |
| 484 | S | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -68.4 | -15.6 | -177.3 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | S457 Q481 I482 F486 A508 M510 Y511 | S457-S484 PolarHBondContact O-OG 3.19Å; Q481-S484 VanDerWaalsContact O-CB 3.27Å; Q481-S484 WeakPolarHBondContact O-CB 3.33Å; Q481-S484 PolarHBondContact O-N 3.29Å; Q481-S484 PolarHBondContact O-OG 2.94Å; I482-S484 PolarHBondContact O-N 2.98Å; S484-F486 PolarHBondContact O-N 3.42Å; S484-A508 CarbonylContact O-C 3.47Å; S484-A508 WeakPolarHBondContact O-CA 3.44Å; S484-M510 PolarHBondContact O-N 2.98Å; S484-M510 VanDerWaalsContact O-N 3.16Å; S484-Y511 PolarHBondContact O-N 3.4Å |
| 485 | Y | 97.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 16% | 0.161 | 17% | 0.168 | C | C | . | . | trans | 62.2 | 32.7 | -179.7 | -140 | -122.1 | 0 | 0 | 0 | 112.7 | Y434 P452 R453 G483 G487 S488 M510 | Y434-Y485 AromaticContact CE1-CE1 4Å; Y434-Y485 HydrophobicContact CE1-CE1 4Å; Y434-Y485 HydrophobicContact CE2-CE1 4.08Å; Y434-Y485 AromaticContact CE2-CZ 3.93Å; Y434-Y485 WeakPolarHBondContact CE2-OH 3.38Å; Y434-Y485 AromaticContact CZ-CE1 3.7Å; P452-Y485 HydrophobicContact CB-CD1 4.02Å; P452-Y485 HydrophobicContact CB-CD2 3.78Å; P452-Y485 HydrophobicContact CB-CE1 4.13Å; P452-Y485 HydrophobicContact CB-CE2 3.91Å; P452-Y485 HydrophobicContact CB-CG 3.82Å; P452-Y485 HydrophobicContact CG-CD1 4.46Å; P452-Y485 HydrophobicContact CG-CD2 4.4Å; P452-Y485 HydrophobicContact CG-CE1 4.06Å; P452-Y485 HydrophobicContact CG-CE2 4.02Å; R453-Y485 HydrophobicContact CG-CD2 4.46Å; R453-Y485 HydrophobicContact CG-CE2 3.83Å; G483-Y485 PolarHBondContact O-N 2.86Å; Y485-G487 PolarHBondContact O-N 2.99Å; Y485-S488 WeakPolarHBondContact CD1-OG 3.13Å; Y485-S488 VanDerWaalsContact O-CB 3.26Å; Y485-S488 WeakPolarHBondContact O-CB 3.02Å; Y485-S488 PolarHBondContact O-N 2.77Å; Y485-S488 PolarHBondContact O-OG 3.02Å; Y485-M510 HydrophobicContact CD1-CE 4.39Å; Y485-M510 HydrophobicContact CD2-SD 4.45Å; Y485-M510 HydrophobicContact CG-CE 4.48Å; Y485-M510 HydrophobicContact CG-SD 4.18Å | ||
| 486 | F | 98.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -58.2 | 129.7 | 178.9 | 176.6 | -91.2 | 0 | 0 | 0 | 111.8 | P452 S457 G458 Q459 V460 E477 S484 V506 A508 Y523 F525 | P452-F486 WeakPolarHBondContact CA-O 3.35Å; S457-F486 WeakPolarHBondContact O-CB 3.47Å; G458-F486 WeakPolarHBondContact CA-O 3.4Å; Q459-F486 PolarHBondContact N-O 2.75Å; V460-F486 HydrophobicContact CB-CE1 4.42Å; V460-F486 HydrophobicContact CG2-CD1 4.26Å; V460-F486 HydrophobicContact CG2-CE1 3.71Å; V460-F486 HydrophobicContact CG2-CZ 4.32Å; E477-F486 HydrophobicContact CB-CE1 4.48Å; S484-F486 PolarHBondContact O-N 3.42Å; F486-V506 HydrophobicContact CD1-CG1 4.28Å; F486-V506 HydrophobicContact CD2-CG1 3.85Å; F486-V506 HydrophobicContact CE1-CG1 4.01Å; F486-V506 HydrophobicContact CE2-CB 3.97Å; F486-V506 HydrophobicContact CE2-CG1 3.54Å; F486-V506 HydrophobicContact CG-CG1 4.21Å; F486-V506 HydrophobicContact CZ-CB 4.13Å; F486-V506 HydrophobicContact CZ-CG1 3.63Å; F486-V506 HydrophobicContact CZ-CG2 4.46Å; F486-A508 HydrophobicContact CB-CB 4.12Å; F486-A508 HydrophobicContact CD2-CB 4.26Å; F486-Y523 AromaticContact CD2-CD2 3.73Å; F486-Y523 HydrophobicContact CD2-CD2 3.73Å; F486-Y523 AromaticContact CD2-CE2 3.86Å; F486-Y523 HydrophobicContact CD2-CE2 3.86Å; F486-Y523 HydrophobicContact CD2-CG 4.48Å; F486-Y523 AromaticContact CE2-CD2 3.64Å; F486-Y523 HydrophobicContact CE2-CD2 3.64Å; F486-Y523 HydrophobicContact CE2-CE2 4.12Å; F486-Y523 AromaticContact CE2-CG 3.95Å; F486-Y523 HydrophobicContact CE2-CG 3.95Å; F486-F525 HydrophobicContact CE2-CE2 4.11Å; F486-F525 HydrophobicContact CE2-CZ 4.19Å; F486-F525 AromaticContact CZ-CE2 3.89Å; F486-F525 HydrophobicContact CZ-CE2 3.89Å; F486-F525 AromaticContact CZ-CZ 3.82Å; F486-F525 HydrophobicContact CZ-CZ 3.82Å |
| 487 | G | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 8.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G450 Y485 V489 G507 | G450-G487 VanDerWaalsContact CA-O 3.26Å; G450-G487 WeakPolarHBondContact CA-O 3.46Å; Y485-G487 PolarHBondContact O-N 2.99Å; G487-V489 VanDerWaalsContact C-N 3.33Å; G487-G507 PolarHBondContact N-O 3.32Å |
| 488 | S | 97.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 38 Ų | 38 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -79.4 | -15.6 | 174.9 | 52.7 | 0 | 0 | 0 | 0 | 114 | A435 Y485 P509 | A435-S488 WeakPolarHBondContact CB-O 3.44Å; Y485-S488 WeakPolarHBondContact CD1-OG 3.13Å; Y485-S488 VanDerWaalsContact O-CB 3.26Å; Y485-S488 WeakPolarHBondContact O-CB 3.02Å; Y485-S488 PolarHBondContact O-N 2.77Å; Y485-S488 PolarHBondContact O-OG 3.02Å; S488-P509 VanDerWaalsContact OG-CD 3.26Å; S488-P509 WeakPolarHBondContact OG-CD 3.32Å |
| 489 | V | 98.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 130.5 | 173.8 | -174.8 | 0 | 0 | 0 | 0 | 107.3 | G487 G507 G550 I551 I553 | G487-V489 VanDerWaalsContact C-N 3.33Å; V489-G507 PolarHBondContact O-N 3.46Å; V489-G550 WeakPolarHBondContact CG2-O 3.04Å; V489-I551 VanDerWaalsContact CG2-O 3.26Å; V489-I551 WeakPolarHBondContact CG2-O 3.42Å; V489-I553 HydrophobicContact CB-CD1 4.48Å; V489-I553 HydrophobicContact CG1-CB 4.12Å; V489-I553 HydrophobicContact CG1-CD1 3.94Å; V489-I553 HydrophobicContact CG1-CG1 3.91Å |
| 490 | L | 98.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.2 | 179.5 | -61.3 | 175.9 | 0 | 0 | 0 | 108.5 | A435 T437 V448 V460 L504 V506 | A435-L490 HydrophobicContact CB-CB 4.39Å; A435-L490 HydrophobicContact CB-CD1 4.06Å; A435-L490 HydrophobicContact CB-CG 3.9Å; T437-L490 HydrophobicContact CG2-CB 3.81Å; T437-L490 HydrophobicContact CG2-CD1 4.44Å; V448-L490 HydrophobicContact CB-CD1 4.41Å; V448-L490 HydrophobicContact CG1-CD1 3.77Å; V460-L490 HydrophobicContact CG1-CD2 4.04Å; V460-L490 HydrophobicContact CG2-CD2 3.78Å; L490-L504 HydrophobicContact CB-CD1 4.48Å; L490-V506 HydrophobicContact CD2-CB 4.45Å; L490-V506 HydrophobicContact CD2-CG1 4.11Å; L490-V506 HydrophobicContact CD2-CG2 3.94Å |
| 491 | C | 97.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 113 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | L505 I553 V555 | C491-L505 HydrophobicContact CB-CB 4.12Å; C491-L505 PolarHBondContact N-O 2.97Å; C491-L505 PolarHBondContact O-N 3.23Å; C491-I553 HydrophobicContact CB-CB 4.06Å; C491-I553 HydrophobicContact CB-CG2 3.69Å; C491-V555 WeakPolarHBondContact SG-CG2 3.2Å |
| 492 | S | 96.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 138.5 | 172.8 | 47.9 | 0 | 0 | 0 | 0 | 109.8 | T437 T438 V555 | T437-S492 PolarHBondContact OG1-OG 2.72Å; T438-S492 WeakPolarHBondContact O-CB 3.2Å; T438-S492 PolarHBondContact O-OG 2.78Å; S492-V555 WeakPolarHBondContact O-CG2 3.35Å |
| 493 | L | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 120.8 | -174.6 | 178.9 | 67.1 | 0 | 0 | 0 | 109.9 | V495 D502 L503 L505 V555 V567 L591 | L493-V495 HydrophobicContact CD2-CG2 3.67Å; L493-V495 HydrophobicContact CG-CG2 3.72Å; L493-D502 PolarHBondContact O-N 3.18Å; L493-L503 HydrophobicContact CB-CB 4.31Å; L493-L503 HydrophobicContact CD2-CD1 4.34Å; L493-L503 PolarHBondContact N-O 3.4Å; L493-L503 PolarHBondContact O-N 2.77Å; L493-L505 HydrophobicContact CB-CD1 4.13Å; L493-L505 HydrophobicContact CD2-CD1 4.17Å; L493-V555 HydrophobicContact CD1-CB 4.31Å; L493-V555 HydrophobicContact CD1-CG1 3.56Å; L493-V555 HydrophobicContact CD1-CG2 3.87Å; L493-V567 HydrophobicContact CD1-CG2 4.24Å; L493-V567 HydrophobicContact CD2-CG2 3.69Å; L493-L591 HydrophobicContact CD2-CD1 3.64Å; L493-L591 HydrophobicContact CD2-CD2 3.89Å; L493-L591 HydrophobicContact CD2-CG 3.75Å |
| 494 | D | 95.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 27.8 Ų | 27.8 | 16% | 0.155 | 15% | 0.145 | C | C | . | . | trans | -94.4 | 112.8 | 162.1 | 173.1 | -3.4 | 0 | 0 | 0 | 105.3 | D497 D498 K499 V500 S565 | D494-D497 VanDerWaalsContact OD1-CA 3.22Å; D494-D497 WeakPolarHBondContact OD1-CA 3.41Å; D494-D497 PolarHBondContact OD1-N 3.44Å; D494-D497 WeakPolarHBondContact OD2-CA 3.47Å; D494-D498 PolarHBondContact OD1-N 3.14Å; D494-D498 PolarHBondContact OD2-N 3.13Å; D494-K499 WeakPolarHBondContact OD2-CA 3.37Å; D494-K499 PolarHBondContact OD2-N 2.86Å; D494-V500 VanDerWaalsContact CB-O 3.32Å; D494-V500 WeakPolarHBondContact CB-O 3.34Å; D494-V500 VanDerWaalsContact CG-O 3.25Å; D494-S565 WeakPolarHBondContact O-CB 3.3Å; D494-S565 PolarHBondContact O-OG 2.67Å | ||
| 495 | V | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -86.9 | -37 | -170.8 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | L493 D502 L503 F564 S565 N588 G590 | L493-V495 HydrophobicContact CD2-CG2 3.67Å; L493-V495 HydrophobicContact CG-CG2 3.72Å; V495-D502 WeakPolarHBondContact CB-OD2 3.27Å; V495-D502 HydrophobicContact CG2-CB 4.19Å; V495-D502 PolarHBondContact N-OD2 2.99Å; V495-L503 HydrophobicContact CG2-CD1 4.19Å; V495-F564 HydrophobicContact CG1-CB 4.11Å; V495-F564 HydrophobicContact CG1-CD1 4.19Å; V495-F564 CarbonylContact O-C 3.52Å; V495-F564 WeakPolarHBondContact O-CA 3.17Å; V495-S565 PolarHBondContact O-N 2.97Å; V495-N588 VanDerWaalsContact CG1-O 3.24Å; V495-N588 WeakPolarHBondContact CG1-O 3.24Å; V495-G590 WeakPolarHBondContact CG1-O 3.39Å |
| 496 | D | 94.2 | Very high | 96.2 | Very high | 50 Ų | 50 | 25.8 Ų | 25.8 | 27% | 0.267 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -101.2 | 9.5 | -176.1 | 58.1 | 1.5 | 0 | 0 | 0 | 114.4 | D498 F564 K589 | D496-D498 PolarHBondContact O-N 3.3Å; D496-F564 HydrophobicContact CB-CD1 4.12Å; D496-F564 HydrophobicContact CB-CE1 4.07Å; D496-K589 IonicContact OD1-NZ 3.38Å; D496-K589 PolarHBondContact OD1-NZ 3.47Å; D496-K589 VanDerWaalsContact OD1-NZ 3.11Å; D496-K589 VanDerWaalsContact OD2-CE 3.24Å; D496-K589 WeakPolarHBondContact OD2-CE 3.44Å; D496-K589 WeakPolarHBondContact OD2-CG 3.16Å; D496-K589 IonicContact OD2-NZ 3.2Å; D496-K589 PolarHBondContact OD2-NZ 2.78Å |
| 497 | D | 92.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 25.6 Ų | 25.6 | 53% | 0.529 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 56.9 | 28 | -179.5 | -161.3 | 46.6 | 0 | 0 | 0 | 114 | D494 K499 | D494-D497 VanDerWaalsContact OD1-CA 3.22Å; D494-D497 WeakPolarHBondContact OD1-CA 3.41Å; D494-D497 PolarHBondContact OD1-N 3.44Å; D494-D497 WeakPolarHBondContact OD2-CA 3.47Å; D497-K499 PolarHBondContact O-N 3.02Å; D497-K499 IonicContact OD1-NZ 2.66Å; D497-K499 PolarHBondContact OD1-NZ 2.94Å; D497-K499 IonicContact OD2-NZ 3.55Å; D497-K499 PolarHBondContact OD2-NZ 3.35Å |
| 498 | D | 93.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 25.6 Ų | 25.6 | 39% | 0.385 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -81.9 | 3 | -179.4 | 78.9 | -1.7 | 0 | 0 | 0 | 113.5 | D494 D496 V500 K589 | D494-D498 PolarHBondContact OD1-N 3.14Å; D494-D498 PolarHBondContact OD2-N 3.13Å; D496-D498 PolarHBondContact O-N 3.3Å; D498-V500 PolarHBondContact O-N 3.1Å; D498-V500 WeakPolarHBondContact OD1-CA 3.43Å; D498-V500 WeakPolarHBondContact OD1-CB 3.49Å; D498-V500 PolarHBondContact OD1-N 2.96Å; D498-K589 IonicContact OD1-NZ 2.94Å; D498-K589 IonicContact OD2-NZ 3.36Å; D498-K589 PolarHBondContact OD2-NZ 3.47Å |
| 499 | K | 91.6 | Very high | 96.2 | Very high | 128 Ų | 128 | 25.3 Ų | 25.3 | 56% | 0.557 | 13% | 0.134 | S | C | * | . | S | Bend | trans | 69.7 | 12.8 | -175.5 | -45.4 | -55.7 | 168.3 | -156.2 | 0 | 114 | T440 D494 D497 | T440-K499 WeakPolarHBondContact CG2-O 3.33Å; D494-K499 WeakPolarHBondContact OD2-CA 3.37Å; D494-K499 PolarHBondContact OD2-N 2.86Å; D497-K499 PolarHBondContact O-N 3.02Å; D497-K499 IonicContact OD1-NZ 2.66Å; D497-K499 PolarHBondContact OD1-NZ 2.94Å; D497-K499 IonicContact OD2-NZ 3.55Å; D497-K499 PolarHBondContact OD2-NZ 3.35Å |
| 500 | V | 93.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 27 Ų | 27 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -106.1 | 138.9 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | D494 D498 D502 | D494-V500 VanDerWaalsContact CB-O 3.32Å; D494-V500 WeakPolarHBondContact CB-O 3.34Å; D494-V500 VanDerWaalsContact CG-O 3.25Å; D498-V500 PolarHBondContact O-N 3.1Å; D498-V500 WeakPolarHBondContact OD1-CA 3.43Å; D498-V500 WeakPolarHBondContact OD1-CB 3.49Å; D498-V500 PolarHBondContact OD1-N 2.96Å; V500-D502 PolarHBondContact O-N 2.9Å |
| 501 | T | 95.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | trans | -77.5 | 112.8 | 175.4 | -52 | 0 | 0 | 0 | 0 | 109.9 | L439 T440 L503 V527 | L439-T501 HydrophobicContact CB-CG2 4.37Å; L439-T501 HydrophobicContact CD2-CG2 3.73Å; T440-T501 PolarHBondContact N-OG1 2.96Å; T440-T501 PolarHBondContact O-N 2.88Å; T501-L503 WeakPolarHBondContact CG2-O 3.5Å; T501-V527 HydrophobicContact CG2-CG2 4.34Å | ||
| 502 | D | 95.1 | Very high | 95.9 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | trans | -80.1 | -44.5 | 176.4 | -63.6 | -48.9 | 0 | 0 | 0 | 111.8 | L493 V495 V500 S526 V527 K589 | L493-D502 PolarHBondContact O-N 3.18Å; V495-D502 WeakPolarHBondContact CB-OD2 3.27Å; V495-D502 HydrophobicContact CG2-CB 4.19Å; V495-D502 PolarHBondContact N-OD2 2.99Å; V500-D502 PolarHBondContact O-N 2.9Å; D502-S526 WeakPolarHBondContact O-CA 3.3Å; D502-V527 PolarHBondContact O-N 3.02Å; D502-V527 VanDerWaalsContact O-N 3.11Å; D502-K589 HydrophobicContact CB-CB 4.2Å; D502-K589 VanDerWaalsContact OD1-CD 3.29Å; D502-K589 WeakPolarHBondContact OD1-CD 3.12Å; D502-K589 WeakPolarHBondContact OD1-CG 3.32Å; D502-K589 IonicContact OD1-NZ 2.86Å; D502-K589 PolarHBondContact OD1-NZ 2.93Å; D502-K589 IonicContact OD2-NZ 3.91Å | ||
| 503 | L | 97.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.1 | -172.1 | -66.1 | 178 | 0 | 0 | 0 | 112.6 | L493 V495 T501 L505 L524 F525 L591 | L493-L503 HydrophobicContact CB-CB 4.31Å; L493-L503 HydrophobicContact CD2-CD1 4.34Å; L493-L503 PolarHBondContact N-O 3.4Å; L493-L503 PolarHBondContact O-N 2.77Å; V495-L503 HydrophobicContact CG2-CD1 4.19Å; T501-L503 WeakPolarHBondContact CG2-O 3.5Å; L503-L505 HydrophobicContact CB-CD1 4.07Å; L503-L524 HydrophobicContact CD1-CD2 4.43Å; L503-F525 CarbonylContact C-O 3.58Å; L503-F525 VanDerWaalsContact CA-O 3.28Å; L503-F525 WeakPolarHBondContact CA-O 3.47Å; L503-L591 HydrophobicContact CD1-CB 4.33Å; L503-L591 HydrophobicContact CD1-CD1 4.2Å; L503-L591 HydrophobicContact CD1-CG 3.95Å |
| 504 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.3 | 160.6 | 175.6 | 64 | 0 | 0 | 0 | 109 | T437 L439 V448 V460 L490 V506 F525 V527 L532 | T437-L504 HydrophobicContact CG2-CD1 3.85Å; L439-L504 HydrophobicContact CD2-CB 4.04Å; L439-L504 HydrophobicContact CD2-CD1 4.13Å; L439-L504 HydrophobicContact CD2-CD2 4.46Å; L439-L504 HydrophobicContact CD2-CG 4.43Å; V448-L504 HydrophobicContact CG1-CD2 4.14Å; V460-L504 HydrophobicContact CG1-CD2 4.34Å; L490-L504 HydrophobicContact CB-CD1 4.48Å; L504-V506 HydrophobicContact CD2-CG2 4.14Å; L504-V506 HydrophobicContact CG-CG2 4Å; L504-F525 HydrophobicContact CB-CB 4.41Å; L504-F525 PolarHBondContact N-O 2.53Å; L504-F525 PolarHBondContact O-N 3.31Å; L504-V527 HydrophobicContact CB-CG2 4.22Å; L504-L532 HydrophobicContact CB-CD2 4.23Å; L504-L532 HydrophobicContact CD2-CD1 3.74Å; L504-L532 HydrophobicContact CD2-CD2 3.92Å |
| 505 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.3 | 172.4 | -75.8 | 70.8 | 0 | 0 | 0 | 109.4 | C491 L493 L503 V522 Y523 L524 L538 I553 V567 L591 | C491-L505 HydrophobicContact CB-CB 4.12Å; C491-L505 PolarHBondContact N-O 2.97Å; C491-L505 PolarHBondContact O-N 3.23Å; L493-L505 HydrophobicContact CB-CD1 4.13Å; L493-L505 HydrophobicContact CD2-CD1 4.17Å; L503-L505 HydrophobicContact CB-CD1 4.07Å; L505-V522 HydrophobicContact CB-CG1 4.15Å; L505-V522 HydrophobicContact CD2-CG1 4.17Å; L505-V522 HydrophobicContact CG-CG1 4.32Å; L505-Y523 WeakPolarHBondContact CA-O 3.48Å; L505-L524 HydrophobicContact CD1-CD2 4.07Å; L505-L524 HydrophobicContact CD2-CD2 4.37Å; L505-L524 HydrophobicContact CG-CD2 3.82Å; L505-L538 HydrophobicContact CD2-CD1 4.38Å; L505-I553 HydrophobicContact CB-CD1 4.35Å; L505-I553 HydrophobicContact CD2-CG2 3.9Å; L505-V567 HydrophobicContact CD2-CB 4.42Å; L505-V567 HydrophobicContact CD2-CG1 3.79Å; L505-V567 HydrophobicContact CD2-CG2 4.06Å; L505-L591 HydrophobicContact CD1-CD1 4.07Å; L505-L591 HydrophobicContact CD2-CD1 3.97Å; L505-L591 HydrophobicContact CG-CD1 4.44Å |
| 506 | V | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.4 | 179.8 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | V460 F486 L490 L504 Y523 F525 | V460-V506 HydrophobicContact CG2-CG1 3.75Å; V460-V506 HydrophobicContact CG2-CG2 4.16Å; F486-V506 HydrophobicContact CD1-CG1 4.28Å; F486-V506 HydrophobicContact CD2-CG1 3.85Å; F486-V506 HydrophobicContact CE1-CG1 4.01Å; F486-V506 HydrophobicContact CE2-CB 3.97Å; F486-V506 HydrophobicContact CE2-CG1 3.54Å; F486-V506 HydrophobicContact CG-CG1 4.21Å; F486-V506 HydrophobicContact CZ-CB 4.13Å; F486-V506 HydrophobicContact CZ-CG1 3.63Å; F486-V506 HydrophobicContact CZ-CG2 4.46Å; L490-V506 HydrophobicContact CD2-CB 4.45Å; L490-V506 HydrophobicContact CD2-CG1 4.11Å; L490-V506 HydrophobicContact CD2-CG2 3.94Å; L504-V506 HydrophobicContact CD2-CG2 4.14Å; L504-V506 HydrophobicContact CG-CG2 4Å; V506-Y523 PolarHBondContact N-O 2.85Å; V506-Y523 PolarHBondContact O-N 2.9Å; V506-F525 HydrophobicContact CB-CD2 4.41Å; V506-F525 HydrophobicContact CB-CE2 4.03Å; V506-F525 HydrophobicContact CG2-CD2 3.75Å; V506-F525 HydrophobicContact CG2-CE2 3.72Å |
| 507 | G | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 137.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G487 V489 | G487-G507 PolarHBondContact N-O 3.32Å; V489-G507 PolarHBondContact O-N 3.46Å |
| 508 | A | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 69.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | S484 F486 M510 Y511 G520 R521 Y523 | S484-A508 CarbonylContact O-C 3.47Å; S484-A508 WeakPolarHBondContact O-CA 3.44Å; F486-A508 HydrophobicContact CB-CB 4.12Å; F486-A508 HydrophobicContact CD2-CB 4.26Å; A508-M510 PolarHBondContact O-N 2.81Å; A508-Y511 WeakPolarHBondContact O-CB 3.37Å; A508-Y511 PolarHBondContact O-N 2.7Å; A508-G520 WeakPolarHBondContact O-CA 3.45Å; A508-R521 PolarHBondContact N-O 2.6Å; A508-R521 PolarHBondContact O-N 2.82Å; A508-R521 VanDerWaalsContact O-N 3.08Å; A508-Y523 HydrophobicContact CB-CD2 4.37Å; A508-Y523 HydrophobicContact CB-CE2 3.94Å |
| 509 | P | 97.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22 | -168.9 | 25.5 | -34.7 | 0 | 0 | 0 | 113.6 | S488 Y511 G520 R548 I551 | S488-P509 VanDerWaalsContact OG-CD 3.26Å; S488-P509 WeakPolarHBondContact OG-CD 3.32Å; P509-Y511 VanDerWaalsContact C-N 3.34Å; P509-G520 VanDerWaalsContact O-CA 3.32Å; P509-G520 WeakPolarHBondContact O-CA 3.49Å; P509-R548 HydrophobicContact CB-CB 4.33Å; P509-R548 VanDerWaalsContact O-CA 3.28Å; P509-R548 WeakPolarHBondContact O-CA 3.22Å; P509-I551 HydrophobicContact CB-CB 3.84Å; P509-I551 HydrophobicContact CB-CG1 4.23Å; P509-I551 HydrophobicContact CG-CB 4.43Å; P509-I551 HydrophobicContact CG-CG1 4.42Å |
| 510 | M | 96.7 | Very high | 95.1 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 29% | 0.291 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 11.1 | 177.5 | -61.1 | -177.5 | -173.1 | 0 | 0 | 112.4 | G483 S484 Y485 A508 M512 | G483-M510 WeakPolarHBondContact O-CB 3.28Å; S484-M510 PolarHBondContact O-N 2.98Å; S484-M510 VanDerWaalsContact O-N 3.16Å; Y485-M510 HydrophobicContact CD1-CE 4.39Å; Y485-M510 HydrophobicContact CD2-SD 4.45Å; Y485-M510 HydrophobicContact CG-CE 4.48Å; Y485-M510 HydrophobicContact CG-SD 4.18Å; A508-M510 PolarHBondContact O-N 2.81Å; M510-M512 PolarHBondContact O-N 3.09Å |
| 511 | Y | 96.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | trans | -56.6 | 125 | 174.2 | 178.8 | -88.8 | 0 | 0 | 0 | 110.7 | Q481 S484 A508 P509 E518 Q519 G520 R521 | Q481-Y511 HydrophobicContact CB-CD2 4.2Å; Q481-Y511 HydrophobicContact CB-CE2 4.15Å; S484-Y511 PolarHBondContact O-N 3.4Å; A508-Y511 WeakPolarHBondContact O-CB 3.37Å; A508-Y511 PolarHBondContact O-N 2.7Å; P509-Y511 VanDerWaalsContact C-N 3.34Å; Y511-E518 CarbonylContact O-C 3.58Å; Y511-Q519 PolarHBondContact O-N 2.91Å; Y511-Q519 VanDerWaalsContact O-N 3.13Å; Y511-G520 PolarHBondContact O-N 2.82Å; Y511-R521 HydrophobicContact CD1-CB 4.18Å; Y511-R521 VanDerWaalsContact CE1-CZ 3.47Å; Y511-R521 VanDerWaalsContact CE2-NH1 3.27Å; Y511-R521 HydrophobicContact CG-CB 3.99Å; Y511-R521 VanDerWaalsContact CZ-NH2 3.34Å; Y511-R521 PolarHBondContact OH-NH1 3.04Å; Y511-R521 VanDerWaalsContact OH-NH1 3.11Å; Y511-R521 PolarHBondContact OH-NH2 2.81Å; Y511-R521 VanDerWaalsContact OH-NH2 3.11Å | ||
| 512 | M | 94.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -93.6 | 133.5 | 175.4 | -70.6 | -174.4 | -74.6 | 0 | 0 | 111 | Q481 M510 K517 E518 | Q481-M512 PolarHBondContact NE2-O 2.81Å; Q481-M512 PolarHBondContact OE1-O 3.5Å; M510-M512 PolarHBondContact O-N 3.09Å; M512-K517 VanDerWaalsContact CA-O 3.27Å; M512-K517 WeakPolarHBondContact CA-O 3.33Å; M512-E518 HydrophobicContact CG-CG 4.47Å |
| 513 | N | 91.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | trans | -87 | -175.5 | 173.7 | 65.3 | 18 | 0 | 0 | 0 | 112.8 | V515 K516 K517 Q519 G543 | N513-V515 PolarHBondContact O-N 3.22Å; N513-V515 WeakPolarHBondContact OD1-CG2 3.46Å; N513-V515 PolarHBondContact OD1-N 3.27Å; N513-K516 PolarHBondContact O-N 3.26Å; N513-K516 PolarHBondContact OD1-N 3.21Å; N513-K517 PolarHBondContact N-O 3.01Å; N513-K517 VanDerWaalsContact N-O 3.09Å; N513-K517 PolarHBondContact OD1-N 3.37Å; N513-K517 PolarHBondContact OD1-O 3Å; N513-Q519 HydrophobicContact CB-CB 4.34Å; N513-Q519 VanDerWaalsContact CB-OE1 3.24Å; N513-Q519 PolarHBondContact ND2-OE1 2.8Å; N513-Q519 VanDerWaalsContact ND2-OE1 3.1Å; N513-G543 VanDerWaalsContact ND2-C 3.31Å; N513-G543 VanDerWaalsContact ND2-CA 3.28Å; N513-G543 WeakPolarHBondContact ND2-CA 3.42Å; N513-G543 PolarHBondContact ND2-O 3.49Å | ||
| 514 | E | 89.3 | Confident | 95.4 | Very high | 199 Ų | 199 | 42.2 Ų | 42.2 | 93% | 0.93 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.6 | -176.6 | -61.2 | -175.6 | 171.3 | 0 | 0 | 113.5 | K516 | E514-K516 VanDerWaalsContact C-N 3.31Š|
| 515 | V | 90.1 | Very high | 95.3 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 14.3 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | N513 K517 G543 | N513-V515 PolarHBondContact O-N 3.22Å; N513-V515 WeakPolarHBondContact OD1-CG2 3.46Å; N513-V515 PolarHBondContact OD1-N 3.27Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 HydrophobicContact CG2-CB 4.47Å; V515-K517 HydrophobicContact CG2-CG 4.02Å; V515-K517 PolarHBondContact O-N 3.44Å; V515-G543 WeakPolarHBondContact CG2-O 3.47Å |
| 516 | K | 90.4 | Very high | 94.9 | Very high | 176 Ų | 176 | 43.7 Ų | 43.7 | 77% | 0.765 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 60.3 | 34.9 | 176.1 | -52.9 | -179.6 | 179.9 | -180 | 0 | 113.9 | N513 E514 | N513-K516 PolarHBondContact O-N 3.26Å; N513-K516 PolarHBondContact OD1-N 3.21Å; E514-K516 VanDerWaalsContact C-N 3.31Å |
| 517 | K | 92.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | trans | -100.3 | 140.1 | 170.2 | -65.1 | -67 | -174.5 | 179 | 0 | 110 | M512 N513 V515 Q519 N544 N546 | M512-K517 VanDerWaalsContact CA-O 3.27Å; M512-K517 WeakPolarHBondContact CA-O 3.33Å; N513-K517 PolarHBondContact N-O 3.01Å; N513-K517 VanDerWaalsContact N-O 3.09Å; N513-K517 PolarHBondContact OD1-N 3.37Å; N513-K517 PolarHBondContact OD1-O 3Å; V515-K517 VanDerWaalsContact C-N 3.31Å; V515-K517 HydrophobicContact CG2-CB 4.47Å; V515-K517 HydrophobicContact CG2-CG 4.02Å; V515-K517 PolarHBondContact O-N 3.44Å; K517-Q519 PolarHBondContact O-N 2.88Å; K517-N544 WeakPolarHBondContact CE-O 3.46Å; K517-N546 WeakPolarHBondContact CA-OD1 3.46Å; K517-N546 WeakPolarHBondContact CD-OD1 3.44Å | ||
| 518 | E | 93.3 | Very high | 94 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -70.4 | 66.7 | 172.6 | -67.8 | -176 | -178.5 | 0 | 0 | 109.9 | Y511 M512 G520 N546 A547 R548 | Y511-E518 CarbonylContact O-C 3.58Å; M512-E518 HydrophobicContact CG-CG 4.47Å; E518-G520 VanDerWaalsContact C-N 3.28Å; E518-G520 PolarHBondContact O-N 2.74Å; E518-N546 HydrophobicContact CB-CB 4.25Å; E518-N546 PolarHBondContact N-OD1 3.4Å; E518-N546 CarbonylContact O-C 3.58Å; E518-N546 WeakPolarHBondContact O-CA 3.43Å; E518-A547 PolarHBondContact O-N 3.28Å; E518-R548 PolarHBondContact O-N 2.92Å; E518-R548 IonicContact OE1-NH2 2.73Å; E518-R548 IonicContact OE2-CZ 3.73Å; E518-R548 IonicContact OE2-NE 2.69Å; E518-R548 PolarHBondContact OE2-NE 3.03Å; E518-R548 IonicContact OE2-NH2 2.77Å; E518-R548 PolarHBondContact OE2-NH2 3.44Å |
| 519 | Q | 95 | Very high | 93.5 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | trans | -64.9 | -37.9 | -179 | -171.1 | -180 | 8.3 | 0 | 0 | 110.7 | Y511 N513 K517 P541 R548 F549 | Y511-Q519 PolarHBondContact O-N 2.91Å; Y511-Q519 VanDerWaalsContact O-N 3.13Å; N513-Q519 HydrophobicContact CB-CB 4.34Å; N513-Q519 VanDerWaalsContact CB-OE1 3.24Å; N513-Q519 PolarHBondContact ND2-OE1 2.8Å; N513-Q519 VanDerWaalsContact ND2-OE1 3.1Å; K517-Q519 PolarHBondContact O-N 2.88Å; Q519-P541 HydrophobicContact CG-CG 3.92Å; Q519-P541 PolarHBondContact NE2-O 3.02Å; Q519-R548 PolarHBondContact O-N 2.92Å; Q519-F549 VanDerWaalsContact O-CB 3.26Å; Q519-F549 WeakPolarHBondContact O-CB 3.44Å; Q519-F549 PolarHBondContact O-N 3.3Å | ||
| 520 | G | 96.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | 79.1 | 161.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A508 P509 Y511 E518 F549 | A508-G520 WeakPolarHBondContact O-CA 3.45Å; P509-G520 VanDerWaalsContact O-CA 3.32Å; P509-G520 WeakPolarHBondContact O-CA 3.49Å; Y511-G520 PolarHBondContact O-N 2.82Å; E518-G520 VanDerWaalsContact C-N 3.28Å; E518-G520 PolarHBondContact O-N 2.74Å; G520-F549 CarbonylContact C-O 3.53Å; G520-F549 VanDerWaalsContact CA-O 3.32Å; G520-F549 WeakPolarHBondContact CA-O 3.35Å |
| 521 | R | 96.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 17% | 0.17 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 147.5 | -179 | -174.6 | 171.4 | -79.4 | 172.7 | -4.8 | 111 | A508 Y511 Y523 F537 F549 | A508-R521 PolarHBondContact N-O 2.6Å; A508-R521 PolarHBondContact O-N 2.82Å; A508-R521 VanDerWaalsContact O-N 3.08Å; Y511-R521 HydrophobicContact CD1-CB 4.18Å; Y511-R521 VanDerWaalsContact CE1-CZ 3.47Å; Y511-R521 VanDerWaalsContact CE2-NH1 3.27Å; Y511-R521 HydrophobicContact CG-CB 3.99Å; Y511-R521 VanDerWaalsContact CZ-NH2 3.34Å; Y511-R521 PolarHBondContact OH-NH1 3.04Å; Y511-R521 VanDerWaalsContact OH-NH1 3.11Å; Y511-R521 PolarHBondContact OH-NH2 2.81Å; Y511-R521 VanDerWaalsContact OH-NH2 3.11Å; R521-Y523 HydrophobicContact CB-CE2 4.12Å; R521-Y523 VanDerWaalsContact CD-CE2 3.49Å; R521-Y523 WeakPolarHBondContact CD-OH 3.43Å; R521-Y523 HydrophobicContact CG-CD2 4.06Å; R521-Y523 HydrophobicContact CG-CE2 3.73Å; R521-Y523 PolarHBondContact NH1-OH 3.37Å; R521-F537 HydrophobicContact CG-CB 3.82Å; R521-F537 HydrophobicContact CG-CD2 4.47Å; R521-F537 HydrophobicContact CG-CG 4.13Å; R521-F549 PolarHBondContact N-O 3.05Å |
| 522 | V | 98.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.7 | 170 | 178.8 | 0 | 0 | 0 | 0 | 109 | L505 F537 L538 F549 I553 V569 | L505-V522 HydrophobicContact CB-CG1 4.15Å; L505-V522 HydrophobicContact CD2-CG1 4.17Å; L505-V522 HydrophobicContact CG-CG1 4.32Å; V522-F537 CarbonylContact O-C 3.56Å; V522-F537 WeakPolarHBondContact O-CA 3.41Å; V522-F537 WeakPolarHBondContact O-CB 3.23Å; V522-L538 HydrophobicContact CB-CB 4.46Å; V522-L538 HydrophobicContact CB-CD1 4.14Å; V522-L538 HydrophobicContact CB-CG 4.45Å; V522-L538 HydrophobicContact CG1-CD1 3.9Å; V522-L538 HydrophobicContact CG1-CG 4.4Å; V522-L538 PolarHBondContact O-N 3.01Å; V522-F549 HydrophobicContact CB-CE1 3.99Å; V522-F549 HydrophobicContact CG2-CD1 4.05Å; V522-F549 HydrophobicContact CG2-CE1 3.63Å; V522-F549 HydrophobicContact CG2-CZ 4.17Å; V522-I553 HydrophobicContact CB-CD1 4.48Å; V522-I553 HydrophobicContact CG1-CD1 3.74Å; V522-I553 HydrophobicContact CG2-CD1 3.87Å; V522-I553 HydrophobicContact CG2-CG1 4.38Å; V522-V569 HydrophobicContact CG2-CG1 3.82Å |
| 523 | Y | 97.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 145.6 | 178.1 | -67.9 | -94 | 0 | 0 | 0 | 110.7 | F486 L505 V506 A508 R521 F525 | F486-Y523 AromaticContact CD2-CD2 3.73Å; F486-Y523 HydrophobicContact CD2-CD2 3.73Å; F486-Y523 AromaticContact CD2-CE2 3.86Å; F486-Y523 HydrophobicContact CD2-CE2 3.86Å; F486-Y523 HydrophobicContact CD2-CG 4.48Å; F486-Y523 AromaticContact CE2-CD2 3.64Å; F486-Y523 HydrophobicContact CE2-CD2 3.64Å; F486-Y523 HydrophobicContact CE2-CE2 4.12Å; F486-Y523 AromaticContact CE2-CG 3.95Å; F486-Y523 HydrophobicContact CE2-CG 3.95Å; L505-Y523 WeakPolarHBondContact CA-O 3.48Å; V506-Y523 PolarHBondContact N-O 2.85Å; V506-Y523 PolarHBondContact O-N 2.9Å; A508-Y523 HydrophobicContact CB-CD2 4.37Å; A508-Y523 HydrophobicContact CB-CE2 3.94Å; R521-Y523 HydrophobicContact CB-CE2 4.12Å; R521-Y523 VanDerWaalsContact CD-CE2 3.49Å; R521-Y523 WeakPolarHBondContact CD-OH 3.43Å; R521-Y523 HydrophobicContact CG-CD2 4.06Å; R521-Y523 HydrophobicContact CG-CE2 3.73Å; R521-Y523 PolarHBondContact NH1-OH 3.37Å; Y523-F525 HydrophobicContact CG-CE2 4.49Å |
| 524 | L | 96.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.8 | 177.1 | -63.9 | 166.9 | 0 | 0 | 0 | 108.8 | L503 L505 Q535 G536 L538 L591 K593 | L503-L524 HydrophobicContact CD1-CD2 4.43Å; L505-L524 HydrophobicContact CD1-CD2 4.07Å; L505-L524 HydrophobicContact CD2-CD2 4.37Å; L505-L524 HydrophobicContact CG-CD2 3.82Å; L524-Q535 HydrophobicContact CB-CB 4.09Å; L524-Q535 PolarHBondContact O-N 3Å; L524-G536 PolarHBondContact N-O 3.43Å; L524-L538 HydrophobicContact CD1-CD2 3.88Å; L524-L538 HydrophobicContact CD1-CG 4.39Å; L524-L538 HydrophobicContact CD2-CD2 4.18Å; L524-L538 HydrophobicContact CD2-CG 4.31Å; L524-L538 HydrophobicContact CG-CD2 4.33Å; L524-L538 HydrophobicContact CG-CG 4.39Å; L524-L591 HydrophobicContact CD2-CD1 3.88Å; L524-K593 HydrophobicContact CD1-CG 4.46Å |
| 525 | F | 94.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.013 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.7 | 173.2 | -64.4 | -89.2 | 0 | 0 | 0 | 110 | E477 F486 L503 L504 V506 Y523 L532 S533 E534 | E477-F525 HydrophobicContact CB-CE1 4.42Å; E477-F525 HydrophobicContact CB-CZ 4.48Å; E477-F525 HydrophobicContact CG-CD1 4.35Å; E477-F525 HydrophobicContact CG-CE1 3.99Å; F486-F525 HydrophobicContact CE2-CE2 4.11Å; F486-F525 HydrophobicContact CE2-CZ 4.19Å; F486-F525 AromaticContact CZ-CE2 3.89Å; F486-F525 HydrophobicContact CZ-CE2 3.89Å; F486-F525 AromaticContact CZ-CZ 3.82Å; F486-F525 HydrophobicContact CZ-CZ 3.82Å; L503-F525 CarbonylContact C-O 3.58Å; L503-F525 VanDerWaalsContact CA-O 3.28Å; L503-F525 WeakPolarHBondContact CA-O 3.47Å; L504-F525 HydrophobicContact CB-CB 4.41Å; L504-F525 PolarHBondContact N-O 2.53Å; L504-F525 PolarHBondContact O-N 3.31Å; V506-F525 HydrophobicContact CB-CD2 4.41Å; V506-F525 HydrophobicContact CB-CE2 4.03Å; V506-F525 HydrophobicContact CG2-CD2 3.75Å; V506-F525 HydrophobicContact CG2-CE2 3.72Å; Y523-F525 HydrophobicContact CG-CE2 4.49Å; F525-L532 HydrophobicContact CB-CB 4.14Å; F525-L532 HydrophobicContact CB-CD1 4.49Å; F525-L532 HydrophobicContact CB-CD2 4.11Å; F525-L532 HydrophobicContact CB-CG 4.47Å; F525-L532 HydrophobicContact CD1-CB 3.98Å; F525-L532 HydrophobicContact CG-CB 4.3Å; F525-L532 HydrophobicContact CG-CD1 4.4Å; F525-S533 CarbonylContact C-O 3.54Å; F525-S533 VanDerWaalsContact CA-O 3.27Å; F525-S533 WeakPolarHBondContact CA-O 3.35Å; F525-E534 HydrophobicContact CD1-CB 4.1Å; F525-E534 HydrophobicContact CE1-CB 3.85Å; F525-E534 HydrophobicContact CE1-CG 4.21Å |
| 526 | S | 91.6 | Very high | 91.5 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 143.5 | 166.5 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | D502 S533 Q535 | D502-S526 WeakPolarHBondContact O-CA 3.3Å; S526-S533 PolarHBondContact N-O 2.81Å; S526-S533 PolarHBondContact O-N 3.07Å; S526-S533 PolarHBondContact OG-O 3.46Å; S526-Q535 PolarHBondContact OG-NE2 2.84Å; S526-Q535 VanDerWaalsContact OG-NE2 3.11Å |
| 527 | V | 90.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 13% | 0.127 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.9 | -178.2 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | L439 T501 D502 L504 L532 | L439-V527 HydrophobicContact CB-CG1 4.3Å; L439-V527 HydrophobicContact CD1-CG1 3.85Å; L439-V527 HydrophobicContact CD1-CG2 4.05Å; L439-V527 HydrophobicContact CD2-CG2 4.22Å; T501-V527 HydrophobicContact CG2-CG2 4.34Å; D502-V527 PolarHBondContact O-N 3.02Å; D502-V527 VanDerWaalsContact O-N 3.11Å; L504-V527 HydrophobicContact CB-CG2 4.22Å; V527-L532 HydrophobicContact CG2-CD2 3.93Å |
| 528 | T | 87.1 | Confident | 91.9 | Very high | 57 Ų | 57 | 31 Ų | 31 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 106.2 | 171.9 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | G530 I531 L984 | T528-G530 VanDerWaalsContact C-N 3.27Å; T528-G530 PolarHBondContact O-N 3.26Å; T528-I531 PolarHBondContact N-O 3.02Å; T528-I531 WeakPolarHBondContact O-CB 3.35Å; T528-I531 PolarHBondContact O-N 3.09Å; T528-L984 HydrophobicContact CG2-CD2 4.42Å |
| 529 | K | 86.1 | Confident | 91.9 | Very high | 146 Ų | 146 | 31.5 Ų | 31.5 | 64% | 0.635 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.9 | -176.8 | -58.3 | -175.9 | 176.9 | -176.8 | 0 | 113.4 | Y446 I531 | Y446-K529 WeakPolarHBondContact OH-CA 3.47Å; Y446-K529 PolarHBondContact OH-O 3.22Å; K529-I531 PolarHBondContact O-N 3.22Å |
| 530 | G | 86.3 | Confident | 91.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -0.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T528 | T528-G530 VanDerWaalsContact C-N 3.27Å; T528-G530 PolarHBondContact O-N 3.26Å |
| 531 | I | 88.8 | Confident | 91 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.1 | 173.6 | -57.1 | -59.3 | 0 | 0 | 0 | 109.9 | V474 D475 T528 K529 L984 I1060 K1062 | V474-I531 HydrophobicContact CG1-CD1 4.09Å; D475-I531 HydrophobicContact CB-CD1 4.17Å; D475-I531 WeakPolarHBondContact OD2-CA 3.49Å; T528-I531 PolarHBondContact N-O 3.02Å; T528-I531 WeakPolarHBondContact O-CB 3.35Å; T528-I531 PolarHBondContact O-N 3.09Å; K529-I531 PolarHBondContact O-N 3.22Å; I531-L984 HydrophobicContact CG2-CD1 3.82Å; I531-L984 HydrophobicContact CG2-CD2 4.25Å; I531-I1060 HydrophobicContact CD1-CD1 3.72Å; I531-I1060 HydrophobicContact CG1-CD1 4.11Å; I531-I1060 HydrophobicContact CG2-CG2 4.48Å; I531-K1062 HydrophobicContact CG2-CD 4.18Å |
| 532 | L | 90 | Very high | 90.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 144.1 | 175.6 | -58.7 | -173.6 | 0 | 0 | 0 | 111 | L439 I462 D475 E477 L504 F525 V527 | L439-L532 HydrophobicContact CD1-CD2 4.13Å; I462-L532 HydrophobicContact CD1-CD1 3.36Å; I462-L532 HydrophobicContact CD1-CG 3.74Å; I462-L532 HydrophobicContact CG1-CD1 4.16Å; I462-L532 HydrophobicContact CG1-CG 4.28Å; D475-L532 PolarHBondContact OD2-N 2.86Å; E477-L532 HydrophobicContact CB-CD1 4.26Å; E477-L532 HydrophobicContact CG-CB 3.75Å; E477-L532 HydrophobicContact CG-CD1 3.59Å; E477-L532 HydrophobicContact CG-CG 4.23Å; L504-L532 HydrophobicContact CB-CD2 4.23Å; L504-L532 HydrophobicContact CD2-CD1 3.74Å; L504-L532 HydrophobicContact CD2-CD2 3.92Å; F525-L532 HydrophobicContact CB-CB 4.14Å; F525-L532 HydrophobicContact CB-CD1 4.49Å; F525-L532 HydrophobicContact CB-CD2 4.11Å; F525-L532 HydrophobicContact CB-CG 4.47Å; F525-L532 HydrophobicContact CD1-CB 3.98Å; F525-L532 HydrophobicContact CG-CB 4.3Å; F525-L532 HydrophobicContact CG-CD1 4.4Å; V527-L532 HydrophobicContact CG2-CD2 3.93Å |
| 533 | S | 86.6 | Confident | 89.2 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 130.3 | 167.8 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | F525 S526 Q535 S983 D1063 | F525-S533 CarbonylContact C-O 3.54Å; F525-S533 VanDerWaalsContact CA-O 3.27Å; F525-S533 WeakPolarHBondContact CA-O 3.35Å; S526-S533 PolarHBondContact N-O 2.81Å; S526-S533 PolarHBondContact O-N 3.07Å; S526-S533 PolarHBondContact OG-O 3.46Å; S533-Q535 PolarHBondContact O-N 3.35Å; S533-Q535 PolarHBondContact O-NE2 2.83Å; S533-S983 WeakPolarHBondContact OG-CB 3.25Å; S533-D1063 PolarHBondContact OG-OD1 3.14Å |
| 534 | E | 87.5 | Confident | 88.6 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 123.2 | -172.2 | -171.3 | 177.2 | 159.5 | 0 | 0 | 112.5 | K480 F525 D1063 | K480-E534 WeakPolarHBondContact CE-OE2 3.25Å; K480-E534 IonicContact NZ-OE1 3.84Å; K480-E534 PolarHBondContact NZ-OE1 3.19Å; K480-E534 IonicContact NZ-OE2 3.99Å; K480-E534 PolarHBondContact NZ-OE2 3.17Å; F525-E534 HydrophobicContact CD1-CB 4.1Å; F525-E534 HydrophobicContact CE1-CB 3.85Å; F525-E534 HydrophobicContact CE1-CG 4.21Å; E534-D1063 PolarHBondContact N-OD1 3.08Å; E534-D1063 PolarHBondContact N-OD2 3.22Å |
| 535 | Q | 86.6 | Confident | 88.1 | Confident | 81 Ų | 81 | 41.4 Ų | 41.4 | 38% | 0.379 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 7.3 | 176.3 | -57 | -54.4 | -54.5 | 0 | 0 | 112.7 | L524 S526 S533 K593 | L524-Q535 HydrophobicContact CB-CB 4.09Å; L524-Q535 PolarHBondContact O-N 3Å; S526-Q535 PolarHBondContact OG-NE2 2.84Å; S526-Q535 VanDerWaalsContact OG-NE2 3.11Å; S533-Q535 PolarHBondContact O-N 3.35Å; S533-Q535 PolarHBondContact O-NE2 2.83Å; Q535-K593 VanDerWaalsContact O-CE 3.27Å; Q535-K593 WeakPolarHBondContact O-CE 3.43Å; Q535-K593 PolarHBondContact O-NZ 3.18Å |
| 536 | G | 90 | Very high | 87.9 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 19% | 0.186 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.7 | -144.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L524 | L524-G536 PolarHBondContact N-O 3.43Å |
| 537 | F | 94.8 | Very high | 88.1 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 35% | 0.346 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 159.6 | -177 | 53.2 | -94.2 | 0 | 0 | 0 | 111.5 | R521 V522 | R521-F537 HydrophobicContact CG-CB 3.82Å; R521-F537 HydrophobicContact CG-CD2 4.47Å; R521-F537 HydrophobicContact CG-CG 4.13Å; V522-F537 CarbonylContact O-C 3.56Å; V522-F537 WeakPolarHBondContact O-CA 3.41Å; V522-F537 WeakPolarHBondContact O-CB 3.23Å |
| 538 | L | 96.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | trans | -73.5 | 140.5 | 175.7 | -63.5 | 177.2 | 0 | 0 | 0 | 111.2 | L505 V522 L524 G540 F549 V569 Y584 | L505-L538 HydrophobicContact CD2-CD1 4.38Å; V522-L538 HydrophobicContact CB-CB 4.46Å; V522-L538 HydrophobicContact CB-CD1 4.14Å; V522-L538 HydrophobicContact CB-CG 4.45Å; V522-L538 HydrophobicContact CG1-CD1 3.9Å; V522-L538 HydrophobicContact CG1-CG 4.4Å; V522-L538 PolarHBondContact O-N 3.01Å; L524-L538 HydrophobicContact CD1-CD2 3.88Å; L524-L538 HydrophobicContact CD1-CG 4.39Å; L524-L538 HydrophobicContact CD2-CD2 4.18Å; L524-L538 HydrophobicContact CD2-CG 4.31Å; L524-L538 HydrophobicContact CG-CD2 4.33Å; L524-L538 HydrophobicContact CG-CG 4.39Å; L538-G540 PolarHBondContact O-N 3.16Å; L538-F549 HydrophobicContact CB-CE1 4.32Å; L538-F549 HydrophobicContact CB-CZ 4.23Å; L538-V569 HydrophobicContact CD1-CG2 4.02Å; L538-Y584 HydrophobicContact CB-CD1 4.48Å; L538-Y584 HydrophobicContact CB-CE1 3.92Å; L538-Y584 HydrophobicContact CD1-CD1 4.36Å; L538-Y584 HydrophobicContact CD1-CD2 3.92Å; L538-Y584 HydrophobicContact CD1-CE1 4.39Å; L538-Y584 HydrophobicContact CD1-CE2 3.95Å; L538-Y584 HydrophobicContact CD1-CG 4.13Å; L538-Y584 HydrophobicContact CD2-CD1 3.81Å; L538-Y584 HydrophobicContact CD2-CE1 4.1Å; L538-Y584 HydrophobicContact CD2-CG 4.16Å; L538-Y584 HydrophobicContact CG-CD1 4.45Å; L538-Y584 HydrophobicContact CG-CE1 4.36Å | ||
| 539 | N | 93.4 | Very high | 88.9 | Confident | 67 Ų | 67 | 43 Ų | 43 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | trans | -76.5 | 114.5 | 174.6 | -67.5 | -30.2 | 0 | 0 | 0 | 109 | Y584 K593 D594 | N539-Y584 PolarHBondContact O-OH 3.48Å; N539-K593 WeakPolarHBondContact CB-O 3.31Å; N539-K593 PolarHBondContact N-O 2.81Å; N539-D594 PolarHBondContact ND2-OD1 2.64Å | ||
| 540 | G | 85.9 | Confident | 89.5 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | trans | -114 | -144.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L538 | L538-G540 PolarHBondContact O-N 3.16Š| ||
| 541 | P | 85.4 | Confident | 90 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -67.8 | 168.7 | -169.5 | 28.4 | -36.8 | 0 | 0 | 0 | 113.5 | Q519 A547 F549 E574 Y582 | Q519-P541 HydrophobicContact CG-CG 3.92Å; Q519-P541 PolarHBondContact NE2-O 3.02Å; P541-A547 HydrophobicContact CB-CB 3.81Å; P541-A547 HydrophobicContact CG-CB 3.43Å; P541-A547 VanDerWaalsContact CG-CB 3.43Å; P541-F549 HydrophobicContact CG-CB 3.8Å; P541-F549 HydrophobicContact CG-CG 4.34Å; P541-E574 HydrophobicContact CB-CG 4.23Å; P541-E574 WeakPolarHBondContact CB-OE1 3.38Å; P541-E574 WeakPolarHBondContact CB-OE2 3.22Å; P541-Y582 WeakPolarHBondContact CA-OH 3.43Å |
| 542 | S | 79.1 | Confident | 90.4 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | trans | -59.9 | 146.1 | 175.8 | 84.3 | 0 | 0 | 0 | 0 | 111.6 | N544 | S542-N544 PolarHBondContact O-N 3.08Š| ||
| 543 | G | 79.6 | Confident | 90.8 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 27% | 0.268 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -2.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N513 V515 | N513-G543 VanDerWaalsContact ND2-C 3.31Å; N513-G543 VanDerWaalsContact ND2-CA 3.28Å; N513-G543 WeakPolarHBondContact ND2-CA 3.42Å; N513-G543 PolarHBondContact ND2-O 3.49Å; V515-G543 WeakPolarHBondContact CG2-O 3.47Å |
| 544 | N | 83.3 | Confident | 91.3 | Very high | 118 Ų | 118 | 40 Ų | 40 | 63% | 0.631 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.9 | -169.7 | -63.7 | -20.1 | 0 | 0 | 0 | 114.3 | K517 S542 | K517-N544 WeakPolarHBondContact CE-O 3.46Å; S542-N544 PolarHBondContact O-N 3.08Å |
| 545 | E | 85.9 | Confident | 91.7 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -124.6 | 154 | -173.5 | -60.7 | -168.2 | 176.8 | 0 | 0 | 112.8 | A547 D575 | E545-A547 PolarHBondContact O-N 2.75Å; E545-D575 PolarHBondContact OE2-N 2.56Å |
| 546 | N | 92.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | trans | -82.3 | 97.6 | 168.3 | -65.6 | -29.9 | 0 | 0 | 0 | 107.2 | K517 E518 L573 | K517-N546 WeakPolarHBondContact CA-OD1 3.46Å; K517-N546 WeakPolarHBondContact CD-OD1 3.44Å; E518-N546 HydrophobicContact CB-CB 4.25Å; E518-N546 PolarHBondContact N-OD1 3.4Å; E518-N546 CarbonylContact O-C 3.58Å; E518-N546 WeakPolarHBondContact O-CA 3.43Å; N546-L573 CarbonylContact O-C 3.57Å; N546-L573 WeakPolarHBondContact O-CB 3.41Å | ||
| 547 | A | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -102.1 | -26.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E518 P541 E545 F549 A571 L573 E574 | E518-A547 PolarHBondContact O-N 3.28Å; P541-A547 HydrophobicContact CB-CB 3.81Å; P541-A547 HydrophobicContact CG-CB 3.43Å; P541-A547 VanDerWaalsContact CG-CB 3.43Å; E545-A547 PolarHBondContact O-N 2.75Å; A547-F549 PolarHBondContact O-N 2.9Å; A547-A571 HydrophobicContact CB-CB 4.34Å; A547-A571 CarbonylContact O-C 3.55Å; A547-A571 VanDerWaalsContact O-C 3.23Å; A547-A571 WeakPolarHBondContact O-CA 3.39Å; A547-L573 PolarHBondContact O-N 3.23Å; A547-E574 HydrophobicContact CB-CB 3.8Å; A547-E574 HydrophobicContact CB-CG 4.09Å | ||
| 548 | R | 96.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | trans | 49.5 | 43 | -170.7 | -65.7 | -172 | 179.7 | -178 | -2 | 113.5 | P509 E518 Q519 G550 I551 L573 | P509-R548 HydrophobicContact CB-CB 4.33Å; P509-R548 VanDerWaalsContact O-CA 3.28Å; P509-R548 WeakPolarHBondContact O-CA 3.22Å; E518-R548 PolarHBondContact O-N 2.92Å; E518-R548 IonicContact OE1-NH2 2.73Å; E518-R548 IonicContact OE2-CZ 3.73Å; E518-R548 IonicContact OE2-NE 2.69Å; E518-R548 PolarHBondContact OE2-NE 3.03Å; E518-R548 IonicContact OE2-NH2 2.77Å; E518-R548 PolarHBondContact OE2-NH2 3.44Å; Q519-R548 PolarHBondContact O-N 2.92Å; R548-G550 PolarHBondContact O-N 3.44Å; R548-I551 WeakPolarHBondContact O-CB 3.32Å; R548-I551 PolarHBondContact O-N 3.48Å; R548-L573 HydrophobicContact CB-CG 4.43Å; R548-L573 VanDerWaalsContact CD-CD1 3.43Å; R548-L573 HydrophobicContact CG-CD1 3.81Å; R548-L573 HydrophobicContact CG-CG 4.22Å | ||
| 549 | F | 98.1 | Very high | 92 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -58.5 | 131.7 | 176.1 | 175.8 | -102.5 | 0 | 0 | 0 | 111.2 | Q519 G520 R521 V522 L538 P541 A547 V569 A571 Y582 Y584 | Q519-F549 VanDerWaalsContact O-CB 3.26Å; Q519-F549 WeakPolarHBondContact O-CB 3.44Å; Q519-F549 PolarHBondContact O-N 3.3Å; G520-F549 CarbonylContact C-O 3.53Å; G520-F549 VanDerWaalsContact CA-O 3.32Å; G520-F549 WeakPolarHBondContact CA-O 3.35Å; R521-F549 PolarHBondContact N-O 3.05Å; V522-F549 HydrophobicContact CB-CE1 3.99Å; V522-F549 HydrophobicContact CG2-CD1 4.05Å; V522-F549 HydrophobicContact CG2-CE1 3.63Å; V522-F549 HydrophobicContact CG2-CZ 4.17Å; L538-F549 HydrophobicContact CB-CE1 4.32Å; L538-F549 HydrophobicContact CB-CZ 4.23Å; P541-F549 HydrophobicContact CG-CB 3.8Å; P541-F549 HydrophobicContact CG-CG 4.34Å; A547-F549 PolarHBondContact O-N 2.9Å; F549-V569 HydrophobicContact CD2-CB 4.47Å; F549-V569 HydrophobicContact CD2-CG1 3.73Å; F549-V569 HydrophobicContact CE1-CG1 4.23Å; F549-V569 HydrophobicContact CE2-CB 3.71Å; F549-V569 HydrophobicContact CE2-CG1 3.34Å; F549-V569 HydrophobicContact CE2-CG2 4.49Å; F549-V569 HydrophobicContact CG-CG1 4.32Å; F549-V569 HydrophobicContact CZ-CB 4.02Å; F549-V569 HydrophobicContact CZ-CG1 3.61Å; F549-V569 HydrophobicContact CZ-CG2 4.33Å; F549-A571 HydrophobicContact CB-CB 4.18Å; F549-A571 HydrophobicContact CD2-CB 4.22Å; F549-Y582 AromaticContact CD2-CD2 3.85Å; F549-Y582 HydrophobicContact CD2-CD2 3.85Å; F549-Y582 HydrophobicContact CD2-CE2 4.11Å; F549-Y582 AromaticContact CE2-CD2 3.72Å; F549-Y582 HydrophobicContact CE2-CD2 3.72Å; F549-Y582 HydrophobicContact CE2-CE2 4.34Å; F549-Y582 HydrophobicContact CE2-CG 4.02Å; F549-Y584 HydrophobicContact CE2-CE2 4.32Å; F549-Y584 WeakPolarHBondContact CE2-OH 3.32Å; F549-Y584 HydrophobicContact CZ-CE2 4.09Å; F549-Y584 AromaticContact CZ-CZ 3.96Å; F549-Y584 WeakPolarHBondContact CZ-OH 3.28Å |
| 550 | G | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 14 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V489 R548 A552 G570 | V489-G550 WeakPolarHBondContact CG2-O 3.04Å; R548-G550 PolarHBondContact O-N 3.44Å; G550-A552 VanDerWaalsContact C-N 3.31Å; G550-G570 PolarHBondContact N-O 2.88Å |
| 551 | I | 97.3 | Very high | 92 | Very high | 59 Ų | 59 | 32.8 Ų | 32.8 | 30% | 0.303 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -76.2 | -20.8 | 175.1 | -161.7 | 162.9 | 0 | 0 | 0 | 113.2 | V489 P509 R548 P572 | V489-I551 VanDerWaalsContact CG2-O 3.26Å; V489-I551 WeakPolarHBondContact CG2-O 3.42Å; P509-I551 HydrophobicContact CB-CB 3.84Å; P509-I551 HydrophobicContact CB-CG1 4.23Å; P509-I551 HydrophobicContact CG-CB 4.43Å; P509-I551 HydrophobicContact CG-CG1 4.42Å; R548-I551 WeakPolarHBondContact O-CB 3.32Å; R548-I551 PolarHBondContact O-N 3.48Å; I551-P572 HydrophobicContact CG2-CG 3.51Å |
| 552 | A | 98.1 | Very high | 92.1 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 136.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G550 V569 G570 L615 | G550-A552 VanDerWaalsContact C-N 3.31Å; A552-V569 WeakPolarHBondContact O-CA 3.34Å; A552-G570 PolarHBondContact O-N 2.86Å; A552-L615 HydrophobicContact CB-CB 4.48Å; A552-L615 HydrophobicContact CB-CD1 3.8Å; A552-L615 HydrophobicContact CB-CG 3.92Å |
| 553 | I | 98.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 34 Ų | 34 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.3 | 178.7 | -54 | 171.7 | 0 | 0 | 0 | 106.4 | V489 C491 L505 V522 V567 V568 V569 | V489-I553 HydrophobicContact CB-CD1 4.48Å; V489-I553 HydrophobicContact CG1-CB 4.12Å; V489-I553 HydrophobicContact CG1-CD1 3.94Å; V489-I553 HydrophobicContact CG1-CG1 3.91Å; C491-I553 HydrophobicContact CB-CB 4.06Å; C491-I553 HydrophobicContact CB-CG2 3.69Å; L505-I553 HydrophobicContact CB-CD1 4.35Å; L505-I553 HydrophobicContact CD2-CG2 3.9Å; V522-I553 HydrophobicContact CB-CD1 4.48Å; V522-I553 HydrophobicContact CG1-CD1 3.74Å; V522-I553 HydrophobicContact CG2-CD1 3.87Å; V522-I553 HydrophobicContact CG2-CG1 4.38Å; I553-V567 HydrophobicContact CG2-CG1 3.63Å; I553-V568 WeakPolarHBondContact CA-O 3.38Å; I553-V569 HydrophobicContact CG1-CG1 4.36Å; I553-V569 HydrophobicContact CG1-CG2 4.5Å; I553-V569 HydrophobicContact CG2-CG2 4.43Å |
| 554 | S | 97.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.3 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | V568 S617 | S554-V568 PolarHBondContact N-O 2.8Å; S554-V568 PolarHBondContact O-N 3.02Å; S554-S617 WeakPolarHBondContact CB-OG 3.36Å; S554-S617 PolarHBondContact OG-N 2.77Å; S554-S617 PolarHBondContact OG-OG 3.33Å |
| 555 | V | 96 | Very high | 93.9 | Very high | 29 Ų | 29 | 30.1 Ų | 30.1 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 140.7 | 171.8 | 180 | 0 | 0 | 0 | 0 | 109.2 | C491 S492 L493 S617 N618 | C491-V555 WeakPolarHBondContact SG-CG2 3.2Å; S492-V555 WeakPolarHBondContact O-CG2 3.35Å; L493-V555 HydrophobicContact CD1-CB 4.31Å; L493-V555 HydrophobicContact CD1-CG1 3.56Å; L493-V555 HydrophobicContact CD1-CG2 3.87Å; V555-S617 PolarHBondContact O-OG 3.26Å; V555-N618 PolarHBondContact O-OD1 2.74Å |
| 556 | I | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.1 | 169.9 | -50.5 | 163 | 0 | 0 | 0 | 106.5 | D558 L559 S565 D566 V568 I583 S617 P627 I629 | I556-D558 PolarHBondContact O-N 3.13Å; I556-L559 HydrophobicContact CD1-CD2 4.34Å; I556-L559 HydrophobicContact CG2-CB 3.92Å; I556-L559 HydrophobicContact CG2-CD1 4.19Å; I556-S565 CarbonylContact O-C 3.57Å; I556-S565 WeakPolarHBondContact O-CA 3.45Å; I556-S565 WeakPolarHBondContact O-CB 3.46Å; I556-D566 HydrophobicContact CB-CB 4.13Å; I556-D566 HydrophobicContact CD1-CB 4.28Å; I556-D566 PolarHBondContact N-O 3.11Å; I556-D566 PolarHBondContact O-N 2.8Å; I556-V568 HydrophobicContact CD1-CB 3.97Å; I556-V568 HydrophobicContact CD1-CG1 4.18Å; I556-V568 HydrophobicContact CG1-CB 4.45Å; I556-V568 HydrophobicContact CG1-CG1 4.13Å; I556-I583 HydrophobicContact CD1-CG2 4.34Å; I556-S617 WeakPolarHBondContact CG1-OG 3.33Å; I556-P627 HydrophobicContact CG2-CB 4.1Å; I556-P627 HydrophobicContact CG2-CG 3.66Å; I556-I629 HydrophobicContact CD1-CD1 3.91Å |
| 557 | P | 92.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 23.7 Ų | 23.7 | 36% | 0.357 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -53.9 | -49.2 | -171.8 | -30.8 | 35.4 | 0 | 0 | 0 | 116.1 | S565 S617 P627 | P557-S565 WeakPolarHBondContact O-CA 3.27Å; P557-S565 VanDerWaalsContact O-CB 3.28Å; P557-S565 WeakPolarHBondContact O-CB 3.22Å; P557-S565 PolarHBondContact O-OG 2.82Å; P557-S617 WeakPolarHBondContact CD-O 3.26Å; P557-P627 HydrophobicContact CG-CB 4.42Å |
| 558 | D | 93 | Very high | 94.7 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | trans | -170 | 100.3 | 171.3 | -176.1 | -8.5 | 0 | 0 | 0 | 106.9 | I556 D560 L561 N562 G563 P627 | I556-D558 PolarHBondContact O-N 3.13Å; D558-D560 PolarHBondContact OD1-N 3.11Å; D558-L561 WeakPolarHBondContact OD1-CA 3.45Å; D558-L561 PolarHBondContact OD1-N 3.34Å; D558-L561 VanDerWaalsContact OD2-C 3.3Å; D558-L561 WeakPolarHBondContact OD2-CA 3.17Å; D558-N562 PolarHBondContact OD1-N 3.22Å; D558-N562 PolarHBondContact OD2-N 3.23Å; D558-N562 VanDerWaalsContact OD2-N 3.12Å; D558-G563 WeakPolarHBondContact OD2-CA 3.47Å; D558-G563 PolarHBondContact OD2-N 3.31Å; D558-P627 WeakPolarHBondContact O-CD 3.47Å | ||
| 559 | L | 92.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -79.8 | -33.2 | -171.9 | -174 | 65.9 | 0 | 0 | 0 | 111.8 | N29 V30 I556 D566 I583 I626 S642 | N29-L559 HydrophobicContact CB-CD1 4.45Å; N29-L559 HydrophobicContact CB-CD2 3.82Å; N29-L559 HydrophobicContact CB-CG 3.78Å; N29-L559 PolarHBondContact ND2-O 2.87Å; V30-L559 HydrophobicContact CG2-CD1 3.91Å; V30-L559 HydrophobicContact CG2-CD2 3.89Å; V30-L559 HydrophobicContact CG2-CG 4.46Å; I556-L559 HydrophobicContact CD1-CD2 4.34Å; I556-L559 HydrophobicContact CG2-CB 3.92Å; I556-L559 HydrophobicContact CG2-CD1 4.19Å; L559-D566 WeakPolarHBondContact CA-OD2 3.39Å; L559-D566 HydrophobicContact CB-CB 4.38Å; L559-D566 WeakPolarHBondContact CB-OD2 3.42Å; L559-D566 PolarHBondContact N-OD2 3.49Å; L559-I583 HydrophobicContact CD2-CD1 4.16Å; L559-I583 HydrophobicContact CD2-CG2 3.68Å; L559-I626 HydrophobicContact CD1-CG2 4.39Å; L559-S642 WeakPolarHBondContact CD1-OG 3.12Å |
| 560 | D | 88.8 | Confident | 94.8 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -104.9 | 5.7 | -178.5 | 73.7 | -26.2 | 0 | 0 | 0 | 114 | N29 D558 N562 V645 R687 | N29-D560 WeakPolarHBondContact ND2-CA 3.39Å; N29-D560 WeakPolarHBondContact ND2-CB 3.47Å; N29-D560 PolarHBondContact ND2-N 2.63Å; D558-D560 PolarHBondContact OD1-N 3.11Å; D560-N562 PolarHBondContact O-N 3.44Å; D560-N562 WeakPolarHBondContact OD1-CB 3.47Å; D560-N562 PolarHBondContact OD1-ND2 2.95Å; D560-N562 PolarHBondContact OD1-OD1 2.61Å; D560-N562 PolarHBondContact OD2-ND2 3.47Å; D560-V645 HydrophobicContact CB-CG2 4.25Å; D560-R687 PolarHBondContact O-NH1 3.16Å |
| 561 | L | 90.3 | Very high | 94.8 | Very high | 53 Ų | 53 | 20.2 Ų | 20.2 | 28% | 0.277 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 53.8 | 43.1 | 179.4 | -56.6 | 177.6 | 0 | 0 | 0 | 111 | D558 I626 R687 P688 | D558-L561 WeakPolarHBondContact OD1-CA 3.45Å; D558-L561 PolarHBondContact OD1-N 3.34Å; D558-L561 VanDerWaalsContact OD2-C 3.3Å; D558-L561 WeakPolarHBondContact OD2-CA 3.17Å; L561-I626 HydrophobicContact CD1-CG1 4.34Å; L561-R687 HydrophobicContact CB-CB 4.12Å; L561-R687 HydrophobicContact CD1-CB 4.29Å; L561-R687 VanDerWaalsContact O-CD 3.31Å; L561-R687 WeakPolarHBondContact O-CD 2.89Å; L561-P688 HydrophobicContact CD1-CB 3.78Å; L561-P688 HydrophobicContact CD1-CG 4.23Å |
| 562 | N | 87.1 | Confident | 94.9 | Very high | 49 Ų | 49 | 17.7 Ų | 17.7 | 26% | 0.262 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -97.8 | -2.9 | 179.4 | 76.3 | 13.4 | 0 | 0 | 0 | 113.3 | D558 D560 F564 | D558-N562 PolarHBondContact OD1-N 3.22Å; D558-N562 PolarHBondContact OD2-N 3.23Å; D558-N562 VanDerWaalsContact OD2-N 3.12Å; D560-N562 PolarHBondContact O-N 3.44Å; D560-N562 WeakPolarHBondContact OD1-CB 3.47Å; D560-N562 PolarHBondContact OD1-ND2 2.95Å; D560-N562 PolarHBondContact OD1-OD1 2.61Å; D560-N562 PolarHBondContact OD2-ND2 3.47Å; N562-F564 WeakPolarHBondContact OD1-CB 3.44Å; N562-F564 WeakPolarHBondContact OD1-CD2 3.48Å; N562-F564 PolarHBondContact OD1-N 3.25Å |
| 563 | G | 90.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 19.3 Ų | 19.3 | 49% | 0.485 | 12% | 0.117 | S | C | . | . | S | Bend | trans | 94.5 | 5.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D558 | D558-G563 WeakPolarHBondContact OD2-CA 3.47Å; D558-G563 PolarHBondContact OD2-N 3.31Å |
| 564 | F | 94.2 | Very high | 94.7 | Very high | 54 Ų | 54 | 18.6 Ų | 18.6 | 24% | 0.237 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -127.6 | 141.3 | -178.5 | -57 | -71.9 | 0 | 0 | 0 | 112.6 | V495 D496 N562 N588 | V495-F564 HydrophobicContact CG1-CB 4.11Å; V495-F564 HydrophobicContact CG1-CD1 4.19Å; V495-F564 CarbonylContact O-C 3.52Å; V495-F564 WeakPolarHBondContact O-CA 3.17Å; D496-F564 HydrophobicContact CB-CD1 4.12Å; D496-F564 HydrophobicContact CB-CE1 4.07Å; N562-F564 WeakPolarHBondContact OD1-CB 3.44Å; N562-F564 WeakPolarHBondContact OD1-CD2 3.48Å; N562-F564 PolarHBondContact OD1-N 3.25Å; F564-N588 VanDerWaalsContact CD1-O 3.26Å; F564-N588 WeakPolarHBondContact CD1-O 3.25Å; F564-N588 VanDerWaalsContact CE1-CA 3.44Å; F564-N588 WeakPolarHBondContact CE1-O 3.41Å |
| 565 | S | 95.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 20 Ų | 20 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | trans | -72.8 | 143.3 | 174.2 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | D494 V495 I556 P557 G586 | D494-S565 WeakPolarHBondContact O-CB 3.3Å; D494-S565 PolarHBondContact O-OG 2.67Å; V495-S565 PolarHBondContact O-N 2.97Å; I556-S565 CarbonylContact O-C 3.57Å; I556-S565 WeakPolarHBondContact O-CA 3.45Å; I556-S565 WeakPolarHBondContact O-CB 3.46Å; P557-S565 WeakPolarHBondContact O-CA 3.27Å; P557-S565 VanDerWaalsContact O-CB 3.28Å; P557-S565 WeakPolarHBondContact O-CB 3.22Å; P557-S565 PolarHBondContact O-OG 2.82Å; S565-G586 VanDerWaalsContact O-CA 3.23Å; S565-G586 WeakPolarHBondContact O-CA 3.44Å; S565-G586 PolarHBondContact O-N 3.25Å | ||
| 566 | D | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 174.4 | -178.1 | -52.4 | -60.3 | 0 | 0 | 0 | 110.9 | I556 L559 Y584 N585 G586 | I556-D566 HydrophobicContact CB-CB 4.13Å; I556-D566 HydrophobicContact CD1-CB 4.28Å; I556-D566 PolarHBondContact N-O 3.11Å; I556-D566 PolarHBondContact O-N 2.8Å; L559-D566 WeakPolarHBondContact CA-OD2 3.39Å; L559-D566 HydrophobicContact CB-CB 4.38Å; L559-D566 WeakPolarHBondContact CB-OD2 3.42Å; L559-D566 PolarHBondContact N-OD2 3.49Å; D566-Y584 WeakPolarHBondContact CA-O 3.13Å; D566-Y584 WeakPolarHBondContact CB-O 3.32Å; D566-N585 VanDerWaalsContact CG-ND2 3.25Å; D566-N585 WeakPolarHBondContact OD1-CA 3.14Å; D566-N585 WeakPolarHBondContact OD1-CB 3.13Å; D566-N585 PolarHBondContact OD1-ND2 2.94Å; D566-N585 PolarHBondContact OD2-ND2 3.05Å; D566-G586 PolarHBondContact OD1-N 2.84Å |
| 567 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.4 | -179.7 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L493 L505 I553 V569 I583 Y584 L591 | L493-V567 HydrophobicContact CD1-CG2 4.24Å; L493-V567 HydrophobicContact CD2-CG2 3.69Å; L505-V567 HydrophobicContact CD2-CB 4.42Å; L505-V567 HydrophobicContact CD2-CG1 3.79Å; L505-V567 HydrophobicContact CD2-CG2 4.06Å; I553-V567 HydrophobicContact CG2-CG1 3.63Å; V567-V569 HydrophobicContact CG1-CG2 3.94Å; V567-I583 WeakPolarHBondContact O-CA 3.2Å; V567-Y584 PolarHBondContact N-O 2.78Å; V567-Y584 PolarHBondContact O-N 3.38Å; V567-L591 HydrophobicContact CB-CD1 4.36Å; V567-L591 HydrophobicContact CG2-CD1 3.84Å; V567-L591 HydrophobicContact CG2-CD2 4.16Å |
| 568 | V | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.7 | 165.7 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | I553 S554 I556 I581 Y582 L615 I629 | I553-V568 WeakPolarHBondContact CA-O 3.38Å; S554-V568 PolarHBondContact N-O 2.8Å; S554-V568 PolarHBondContact O-N 3.02Å; I556-V568 HydrophobicContact CD1-CB 3.97Å; I556-V568 HydrophobicContact CD1-CG1 4.18Å; I556-V568 HydrophobicContact CG1-CB 4.45Å; I556-V568 HydrophobicContact CG1-CG1 4.13Å; V568-I581 HydrophobicContact CG2-CB 3.98Å; V568-I581 HydrophobicContact CG2-CD1 4.04Å; V568-I581 HydrophobicContact CG2-CG1 4.44Å; V568-Y582 CarbonylContact C-O 3.51Å; V568-Y582 VanDerWaalsContact CA-O 3.25Å; V568-Y582 WeakPolarHBondContact CA-O 3.37Å; V568-L615 HydrophobicContact CG1-CD1 4.13Å; V568-L615 HydrophobicContact CG2-CD1 4.05Å; V568-L615 HydrophobicContact CG2-CD2 4.24Å; V568-I629 HydrophobicContact CB-CD1 4.41Å |
| 569 | V | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.3 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | V522 L538 F549 A552 I553 V567 I581 Y582 Y584 | V522-V569 HydrophobicContact CG2-CG1 3.82Å; L538-V569 HydrophobicContact CD1-CG2 4.02Å; F549-V569 HydrophobicContact CD2-CB 4.47Å; F549-V569 HydrophobicContact CD2-CG1 3.73Å; F549-V569 HydrophobicContact CE1-CG1 4.23Å; F549-V569 HydrophobicContact CE2-CB 3.71Å; F549-V569 HydrophobicContact CE2-CG1 3.34Å; F549-V569 HydrophobicContact CE2-CG2 4.49Å; F549-V569 HydrophobicContact CG-CG1 4.32Å; F549-V569 HydrophobicContact CZ-CB 4.02Å; F549-V569 HydrophobicContact CZ-CG1 3.61Å; F549-V569 HydrophobicContact CZ-CG2 4.33Å; A552-V569 WeakPolarHBondContact O-CA 3.34Å; I553-V569 HydrophobicContact CG1-CG1 4.36Å; I553-V569 HydrophobicContact CG1-CG2 4.5Å; I553-V569 HydrophobicContact CG2-CG2 4.43Å; V567-V569 HydrophobicContact CG1-CG2 3.94Å; V569-I581 CarbonylContact O-C 3.57Å; V569-I581 WeakPolarHBondContact O-CA 3.44Å; V569-Y582 PolarHBondContact N-O 3.43Å; V569-Y582 PolarHBondContact O-N 3.19Å; V569-Y584 HydrophobicContact CB-CE2 4.16Å; V569-Y584 HydrophobicContact CG2-CD2 4.01Å; V569-Y584 HydrophobicContact CG2-CE2 3.81Å |
| 570 | G | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G550 A552 G612 | G550-G570 PolarHBondContact N-O 2.88Å; A552-G570 PolarHBondContact O-N 2.86Å; G570-G612 WeakPolarHBondContact CA-O 3.4Å |
| 571 | A | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 72 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A547 F549 L573 E574 G579 V580 Y582 | A547-A571 HydrophobicContact CB-CB 4.34Å; A547-A571 CarbonylContact O-C 3.55Å; A547-A571 VanDerWaalsContact O-C 3.23Å; A547-A571 WeakPolarHBondContact O-CA 3.39Å; F549-A571 HydrophobicContact CB-CB 4.18Å; F549-A571 HydrophobicContact CD2-CB 4.22Å; A571-L573 PolarHBondContact O-N 3.27Å; A571-E574 HydrophobicContact CB-CB 4.18Å; A571-E574 WeakPolarHBondContact O-CB 3.47Å; A571-E574 PolarHBondContact O-N 2.81Å; A571-G579 WeakPolarHBondContact O-CA 3.37Å; A571-V580 PolarHBondContact N-O 3.04Å; A571-V580 PolarHBondContact O-N 2.81Å; A571-V580 VanDerWaalsContact O-N 3.08Å; A571-Y582 HydrophobicContact CB-CD2 4.44Å; A571-Y582 HydrophobicContact CB-CE2 3.96Å |
| 572 | P | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.032 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.2 | -168.4 | 26.6 | -35.6 | 0 | 0 | 0 | 114.6 | I551 G579 F610 F611 R613 | I551-P572 HydrophobicContact CG2-CG 3.51Å; P572-G579 WeakPolarHBondContact O-CA 3.42Å; P572-G579 PolarHBondContact O-N 3.35Å; P572-F610 HydrophobicContact CB-CB 3.95Å; P572-F610 WeakPolarHBondContact CB-O 3.19Å; P572-F610 WeakPolarHBondContact O-CA 3.38Å; P572-F611 WeakPolarHBondContact CA-O 3.15Å; P572-R613 HydrophobicContact CB-CB 4.17Å; P572-R613 HydrophobicContact CG-CB 4.36Å |
| 573 | L | 96.6 | Very high | 96 | Very high | 44 Ų | 44 | 21.8 Ų | 21.8 | 23% | 0.23 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -7 | 179.4 | -61.4 | -165.2 | 0 | 0 | 0 | 113.7 | N546 A547 R548 A571 G577 F610 | N546-L573 CarbonylContact O-C 3.57Å; N546-L573 WeakPolarHBondContact O-CB 3.41Å; A547-L573 PolarHBondContact O-N 3.23Å; R548-L573 HydrophobicContact CB-CG 4.43Å; R548-L573 VanDerWaalsContact CD-CD1 3.43Å; R548-L573 HydrophobicContact CG-CD1 3.81Å; R548-L573 HydrophobicContact CG-CG 4.22Å; A571-L573 PolarHBondContact O-N 3.27Å; L573-G577 PolarHBondContact O-N 3.33Å; L573-F610 HydrophobicContact CD2-CD1 3.46Å; L573-F610 VanDerWaalsContact CD2-CD1 3.46Å; L573-F610 HydrophobicContact CD2-CE1 3.34Å; L573-F610 HydrophobicContact CD2-CG 4.45Å; L573-F610 HydrophobicContact CD2-CZ 4.27Å |
| 574 | E | 95.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.028 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.2 | 160.6 | 177.2 | -161.5 | 179.4 | 174.6 | 0 | 0 | 111.9 | P541 A547 A571 Q576 G577 K578 G579 V580 Y582 R598 | P541-E574 HydrophobicContact CB-CG 4.23Å; P541-E574 WeakPolarHBondContact CB-OE1 3.38Å; P541-E574 WeakPolarHBondContact CB-OE2 3.22Å; A547-E574 HydrophobicContact CB-CB 3.8Å; A547-E574 HydrophobicContact CB-CG 4.09Å; A571-E574 HydrophobicContact CB-CB 4.18Å; A571-E574 WeakPolarHBondContact O-CB 3.47Å; A571-E574 PolarHBondContact O-N 2.81Å; E574-Q576 VanDerWaalsContact C-N 3.33Å; E574-Q576 PolarHBondContact O-N 2.79Å; E574-G577 PolarHBondContact O-N 3.01Å; E574-K578 PolarHBondContact O-N 2.88Å; E574-G579 PolarHBondContact O-N 3.38Å; E574-V580 HydrophobicContact CB-CB 4.27Å; E574-V580 HydrophobicContact CB-CG2 3.82Å; E574-V580 HydrophobicContact CG-CG2 3.99Å; E574-V580 WeakPolarHBondContact OE2-CB 3.28Å; E574-Y582 PolarHBondContact OE1-OH 3.3Å; E574-Y582 VanDerWaalsContact OE2-CE2 3.22Å; E574-Y582 WeakPolarHBondContact OE2-CE2 3.45Å; E574-Y582 VanDerWaalsContact OE2-CZ 3.31Å; E574-Y582 PolarHBondContact OE2-OH 2.95Å; E574-R598 VanDerWaalsContact CD-NH2 3.26Å; E574-R598 IonicContact OE1-CZ 3.66Å; E574-R598 IonicContact OE1-NE 3.08Å; E574-R598 PolarHBondContact OE1-NE 2.95Å; E574-R598 IonicContact OE1-NH2 3.85Å; E574-R598 PolarHBondContact OE1-NH2 3.43Å; E574-R598 IonicContact OE2-NH2 3.81Å |
| 575 | D | 93.4 | Very high | 96.1 | Very high | 39 Ų | 39 | 17 Ų | 17 | 21% | 0.209 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | 57.1 | 47.8 | -178.9 | -68.9 | -9.3 | 0 | 0 | 0 | 110.4 | E545 G577 K578 V580 R598 P600 | E545-D575 PolarHBondContact OE2-N 2.56Å; D575-G577 PolarHBondContact O-N 2.65Å; D575-K578 HydrophobicContact CB-CB 4.21Å; D575-K578 VanDerWaalsContact O-CB 3.32Å; D575-K578 WeakPolarHBondContact O-CB 3.29Å; D575-K578 WeakPolarHBondContact O-CG 3.48Å; D575-K578 PolarHBondContact O-N 2.78Å; D575-V580 HydrophobicContact CB-CG2 4.37Å; D575-V580 WeakPolarHBondContact OD2-CG2 3.5Å; D575-R598 VanDerWaalsContact CG-NH2 3.33Å; D575-R598 IonicContact OD1-CZ 2.78Å; D575-R598 IonicContact OD1-NH2 2.68Å; D575-R598 PolarHBondContact OD1-NH2 2.82Å; D575-R598 IonicContact OD2-CZ 3.07Å; D575-R598 IonicContact OD2-NH1 3.33Å; D575-R598 PolarHBondContact OD2-NH1 2.87Å; D575-R598 IonicContact OD2-NH2 3.84Å; D575-R598 PolarHBondContact OD2-NH2 3.21Å; D575-P600 WeakPolarHBondContact OD2-CB 3.08Å |
| 576 | Q | 92.1 | Very high | 96 | Very high | 185 Ų | 185 | 16.6 Ų | 16.6 | 86% | 0.864 | 8% | 0.083 | S | C | * | . | H | α-helix | trans | 59.9 | 38.9 | -179.2 | -52.9 | 175.8 | -10.7 | 0 | 0 | 113.8 | E574 K578 | E574-Q576 VanDerWaalsContact C-N 3.33Å; E574-Q576 PolarHBondContact O-N 2.79Å; Q576-K578 VanDerWaalsContact C-N 3.31Å; Q576-K578 PolarHBondContact O-N 3.36Å |
| 577 | G | 93.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 22.3 Ų | 22.3 | 14% | 0.144 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | 80.9 | 7.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L573 E574 D575 Q609 F610 | L573-G577 PolarHBondContact O-N 3.33Å; E574-G577 PolarHBondContact O-N 3.01Å; D575-G577 PolarHBondContact O-N 2.65Å; G577-Q609 WeakPolarHBondContact O-CA 3.24Å; G577-F610 WeakPolarHBondContact O-CD1 3.48Å; G577-F610 PolarHBondContact O-N 2.99Å |
| 578 | K | 96 | Very high | 95 | Very high | 52 Ų | 52 | 28 Ų | 28 | 23% | 0.226 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -34.6 | 172.3 | -63.2 | -63.1 | 178.9 | 179.6 | 0 | 111.4 | E574 D575 Q576 P606 L608 F611 | E574-K578 PolarHBondContact O-N 2.88Å; D575-K578 HydrophobicContact CB-CB 4.21Å; D575-K578 VanDerWaalsContact O-CB 3.32Å; D575-K578 WeakPolarHBondContact O-CB 3.29Å; D575-K578 WeakPolarHBondContact O-CG 3.48Å; D575-K578 PolarHBondContact O-N 2.78Å; Q576-K578 VanDerWaalsContact C-N 3.31Å; Q576-K578 PolarHBondContact O-N 3.36Å; K578-P606 WeakPolarHBondContact CE-O 3.36Å; K578-P606 PolarHBondContact NZ-O 2.86Å; K578-L608 WeakPolarHBondContact CD-O 3.49Å; K578-F611 VanDerWaalsContact O-CB 3.28Å; K578-F611 WeakPolarHBondContact O-CB 3.13Å; K578-F611 PolarHBondContact O-N 2.64Å |
| 579 | G | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | 87.2 | 151 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A571 P572 E574 G601 F611 | A571-G579 WeakPolarHBondContact O-CA 3.37Å; P572-G579 WeakPolarHBondContact O-CA 3.42Å; P572-G579 PolarHBondContact O-N 3.35Å; E574-G579 PolarHBondContact O-N 3.38Å; G579-G601 PolarHBondContact O-N 2.8Å; G579-F611 CarbonylContact C-O 3.54Å; G579-F611 VanDerWaalsContact CA-O 3.27Å; G579-F611 WeakPolarHBondContact CA-O 3.34Å | ||
| 580 | V | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.8 | -172.3 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | A571 E574 D575 Y582 R598 I599 P600 F611 | A571-V580 PolarHBondContact N-O 3.04Å; A571-V580 PolarHBondContact O-N 2.81Å; A571-V580 VanDerWaalsContact O-N 3.08Å; E574-V580 HydrophobicContact CB-CB 4.27Å; E574-V580 HydrophobicContact CB-CG2 3.82Å; E574-V580 HydrophobicContact CG-CG2 3.99Å; E574-V580 WeakPolarHBondContact OE2-CB 3.28Å; D575-V580 HydrophobicContact CB-CG2 4.37Å; D575-V580 WeakPolarHBondContact OD2-CG2 3.5Å; V580-Y582 HydrophobicContact CB-CE2 4.15Å; V580-Y582 HydrophobicContact CG1-CD2 4.11Å; V580-Y582 HydrophobicContact CG1-CE2 3.56Å; V580-R598 HydrophobicContact CG1-CG 3.48Å; V580-R598 VanDerWaalsContact CG1-CG 3.48Å; V580-I599 WeakPolarHBondContact CA-O 3.38Å; V580-P600 HydrophobicContact CG2-CB 4.28Å; V580-F611 PolarHBondContact N-O 2.88Å |
| 581 | I | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 149.9 | 163.7 | 67.2 | 170.9 | 0 | 0 | 0 | 111.2 | V568 V569 I599 F611 L615 I629 V631 L640 | V568-I581 HydrophobicContact CG2-CB 3.98Å; V568-I581 HydrophobicContact CG2-CD1 4.04Å; V568-I581 HydrophobicContact CG2-CG1 4.44Å; V569-I581 CarbonylContact O-C 3.57Å; V569-I581 WeakPolarHBondContact O-CA 3.44Å; I581-I599 HydrophobicContact CD1-CB 4.4Å; I581-I599 HydrophobicContact CD1-CD1 4.16Å; I581-I599 HydrophobicContact CG1-CB 3.8Å; I581-I599 HydrophobicContact CG1-CD1 4.36Å; I581-I599 HydrophobicContact CG1-CG1 4.34Å; I581-I599 PolarHBondContact N-O 2.99Å; I581-I599 PolarHBondContact O-N 2.93Å; I581-F611 HydrophobicContact CB-CE1 4.38Å; I581-F611 HydrophobicContact CD1-CE1 4.35Å; I581-F611 HydrophobicContact CD1-CZ 4.31Å; I581-F611 HydrophobicContact CG1-CE1 3.93Å; I581-F611 HydrophobicContact CG1-CZ 4.38Å; I581-F611 HydrophobicContact CG2-CD1 4.24Å; I581-F611 HydrophobicContact CG2-CE1 3.83Å; I581-F611 HydrophobicContact CG2-CZ 4.39Å; I581-L615 HydrophobicContact CG2-CD2 3.95Å; I581-I629 HydrophobicContact CD1-CG2 4.38Å; I581-V631 HydrophobicContact CD1-CG2 3.96Å; I581-V631 HydrophobicContact CG2-CG1 4.03Å; I581-L640 HydrophobicContact CD1-CD1 3.79Å |
| 582 | Y | 97 | Very high | 93.4 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.7 | 179.7 | -67.4 | -93.4 | 0 | 0 | 0 | 110.2 | P541 F549 V568 V569 A571 E574 V580 F595 Q597 R598 | P541-Y582 WeakPolarHBondContact CA-OH 3.43Å; F549-Y582 AromaticContact CD2-CD2 3.85Å; F549-Y582 HydrophobicContact CD2-CD2 3.85Å; F549-Y582 HydrophobicContact CD2-CE2 4.11Å; F549-Y582 AromaticContact CE2-CD2 3.72Å; F549-Y582 HydrophobicContact CE2-CD2 3.72Å; F549-Y582 HydrophobicContact CE2-CE2 4.34Å; F549-Y582 HydrophobicContact CE2-CG 4.02Å; V568-Y582 CarbonylContact C-O 3.51Å; V568-Y582 VanDerWaalsContact CA-O 3.25Å; V568-Y582 WeakPolarHBondContact CA-O 3.37Å; V569-Y582 PolarHBondContact N-O 3.43Å; V569-Y582 PolarHBondContact O-N 3.19Å; A571-Y582 HydrophobicContact CB-CD2 4.44Å; A571-Y582 HydrophobicContact CB-CE2 3.96Å; E574-Y582 PolarHBondContact OE1-OH 3.3Å; E574-Y582 VanDerWaalsContact OE2-CE2 3.22Å; E574-Y582 WeakPolarHBondContact OE2-CE2 3.45Å; E574-Y582 VanDerWaalsContact OE2-CZ 3.31Å; E574-Y582 PolarHBondContact OE2-OH 2.95Å; V580-Y582 HydrophobicContact CB-CE2 4.15Å; V580-Y582 HydrophobicContact CG1-CD2 4.11Å; V580-Y582 HydrophobicContact CG1-CE2 3.56Å; Y582-F595 HydrophobicContact CD1-CB 4.07Å; Y582-F595 AromaticContact CD1-CD1 3.69Å; Y582-F595 HydrophobicContact CD1-CD1 3.69Å; Y582-F595 HydrophobicContact CD1-CD2 4.24Å; Y582-F595 HydrophobicContact CD1-CE1 4.18Å; Y582-F595 AromaticContact CD1-CG 3.73Å; Y582-F595 HydrophobicContact CD1-CG 3.73Å; Y582-F595 AromaticContact CE1-CD1 3.96Å; Y582-F595 HydrophobicContact CE1-CD1 3.96Å; Y582-F595 AromaticContact CE1-CE1 3.98Å; Y582-F595 HydrophobicContact CE1-CE1 3.98Å; Y582-F595 HydrophobicContact CE1-CG 4.34Å; Y582-F595 HydrophobicContact CE1-CZ 4.37Å; Y582-Q597 CarbonylContact C-O 3.51Å; Y582-Q597 WeakPolarHBondContact CA-O 3.08Å; Y582-R598 HydrophobicContact CD1-CB 4.18Å; Y582-R598 HydrophobicContact CD1-CG 4.11Å; Y582-R598 HydrophobicContact CE1-CB 4.06Å; Y582-R598 HydrophobicContact CE1-CG 3.62Å; Y582-R598 PolarHBondContact OH-NE 2.97Å |
| 583 | I | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.5 | 177.6 | -57.1 | 175.9 | 0 | 0 | 0 | 108.8 | V30 I556 L559 V567 F595 S596 Q597 I599 I629 | V30-I583 HydrophobicContact CB-CD1 3.84Å; V30-I583 HydrophobicContact CG2-CD1 3.38Å; I556-I583 HydrophobicContact CD1-CG2 4.34Å; L559-I583 HydrophobicContact CD2-CD1 4.16Å; L559-I583 HydrophobicContact CD2-CG2 3.68Å; V567-I583 WeakPolarHBondContact O-CA 3.2Å; I583-F595 CarbonylContact O-C 3.31Å; I583-F595 VanDerWaalsContact O-CA 3.23Å; I583-F595 WeakPolarHBondContact O-CA 3.32Å; I583-F595 WeakPolarHBondContact O-CB 3.32Å; I583-S596 PolarHBondContact O-N 2.51Å; I583-S596 PolarHBondContact O-OG 2.83Å; I583-Q597 HydrophobicContact CB-CB 3.93Å; I583-Q597 HydrophobicContact CD1-CB 3.94Å; I583-Q597 HydrophobicContact CD1-CG 4.36Å; I583-Q597 HydrophobicContact CG1-CB 4.16Å; I583-Q597 PolarHBondContact N-O 3.3Å; I583-Q597 PolarHBondContact O-N 3.09Å; I583-I599 HydrophobicContact CD1-CD1 4.36Å; I583-I629 HydrophobicContact CD1-CD1 4.06Å |
| 584 | Y | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.9 | 179.7 | -62.2 | -91 | 0 | 0 | 0 | 109.4 | L538 N539 F549 D566 V567 V569 K592 K593 F595 | L538-Y584 HydrophobicContact CB-CD1 4.48Å; L538-Y584 HydrophobicContact CB-CE1 3.92Å; L538-Y584 HydrophobicContact CD1-CD1 4.36Å; L538-Y584 HydrophobicContact CD1-CD2 3.92Å; L538-Y584 HydrophobicContact CD1-CE1 4.39Å; L538-Y584 HydrophobicContact CD1-CE2 3.95Å; L538-Y584 HydrophobicContact CD1-CG 4.13Å; L538-Y584 HydrophobicContact CD2-CD1 3.81Å; L538-Y584 HydrophobicContact CD2-CE1 4.1Å; L538-Y584 HydrophobicContact CD2-CG 4.16Å; L538-Y584 HydrophobicContact CG-CD1 4.45Å; L538-Y584 HydrophobicContact CG-CE1 4.36Å; N539-Y584 PolarHBondContact O-OH 3.48Å; F549-Y584 HydrophobicContact CE2-CE2 4.32Å; F549-Y584 WeakPolarHBondContact CE2-OH 3.32Å; F549-Y584 HydrophobicContact CZ-CE2 4.09Å; F549-Y584 AromaticContact CZ-CZ 3.96Å; F549-Y584 WeakPolarHBondContact CZ-OH 3.28Å; D566-Y584 WeakPolarHBondContact CA-O 3.13Å; D566-Y584 WeakPolarHBondContact CB-O 3.32Å; V567-Y584 PolarHBondContact N-O 2.78Å; V567-Y584 PolarHBondContact O-N 3.38Å; V569-Y584 HydrophobicContact CB-CE2 4.16Å; V569-Y584 HydrophobicContact CG2-CD2 4.01Å; V569-Y584 HydrophobicContact CG2-CE2 3.81Å; Y584-K592 WeakPolarHBondContact CD1-O 3.06Å; Y584-K593 WeakPolarHBondContact CE1-O 3.47Å; Y584-F595 HydrophobicContact CD1-CB 4.05Å; Y584-F595 HydrophobicContact CE1-CB 3.64Å; Y584-F595 HydrophobicContact CE2-CB 4.38Å |
| 585 | N | 93 | Very high | 92.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -89.3 | 143.1 | -177.8 | -69.7 | 107.4 | 0 | 0 | 0 | 114.1 | F28 D566 K592 S596 F775 | F28-N585 WeakPolarHBondContact CZ-OD1 3.36Å; D566-N585 VanDerWaalsContact CG-ND2 3.25Å; D566-N585 WeakPolarHBondContact OD1-CA 3.14Å; D566-N585 WeakPolarHBondContact OD1-CB 3.13Å; D566-N585 PolarHBondContact OD1-ND2 2.94Å; D566-N585 PolarHBondContact OD2-ND2 3.05Å; N585-K592 HydrophobicContact CB-CD 4.37Å; N585-K592 PolarHBondContact O-N 2.83Å; N585-S596 WeakPolarHBondContact OD1-CB 3.25Å; N585-S596 PolarHBondContact OD1-OG 3.39Å; N585-F775 HydrophobicContact CB-CE2 4.31Å; N585-F775 HydrophobicContact CB-CZ 4.22Å; N585-F775 WeakPolarHBondContact OD1-CE2 3.26Å; N585-F775 WeakPolarHBondContact OD1-CZ 2.99Å | ||
| 586 | G | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 150.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S565 D566 | S565-G586 VanDerWaalsContact O-CA 3.23Å; S565-G586 WeakPolarHBondContact O-CA 3.44Å; S565-G586 PolarHBondContact O-N 3.25Å; D566-G586 PolarHBondContact OD1-N 2.84Å |
| 587 | Y | 87.4 | Confident | 92.2 | Very high | 121 Ų | 121 | 36.4 Ų | 36.4 | 48% | 0.475 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 130.5 | 163.6 | 75.1 | -80.1 | 0 | 0 | 0 | 109.7 | K589 G590 L591 K592 | Y587-K589 PolarHBondContact O-N 2.82Å; Y587-G590 PolarHBondContact N-O 2.98Å; Y587-G590 CarbonylContact O-C 3.47Å; Y587-G590 WeakPolarHBondContact O-CA 3.46Å; Y587-G590 PolarHBondContact O-N 2.79Å; Y587-G590 VanDerWaalsContact O-O 3.07Å; Y587-L591 WeakPolarHBondContact CE1-O 3.28Å; Y587-K592 HydrophobicContact CD1-CB 4.49Å; Y587-K592 HydrophobicContact CD1-CG 3.63Å; Y587-K592 HydrophobicContact CE1-CG 4.13Å; Y587-K592 HydrophobicContact CG-CG 4.46Å |
| 588 | N | 85.9 | Confident | 92.2 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 63% | 0.631 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -124.5 | 179.4 | -127.8 | 23.4 | 0 | 0 | 0 | 109.5 | V495 F564 | V495-N588 VanDerWaalsContact CG1-O 3.24Å; V495-N588 WeakPolarHBondContact CG1-O 3.24Å; F564-N588 VanDerWaalsContact CD1-O 3.26Å; F564-N588 WeakPolarHBondContact CD1-O 3.25Å; F564-N588 VanDerWaalsContact CE1-CA 3.44Å; F564-N588 WeakPolarHBondContact CE1-O 3.41Å |
| 589 | K | 87.4 | Confident | 92.1 | Very high | 96 Ų | 96 | 35.9 Ų | 35.9 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 24.4 | 172.4 | -66.1 | -171.7 | 163.2 | -65.2 | 0 | 113.7 | D496 D498 D502 Y587 | D496-K589 IonicContact OD1-NZ 3.38Å; D496-K589 PolarHBondContact OD1-NZ 3.47Å; D496-K589 VanDerWaalsContact OD1-NZ 3.11Å; D496-K589 VanDerWaalsContact OD2-CE 3.24Å; D496-K589 WeakPolarHBondContact OD2-CE 3.44Å; D496-K589 WeakPolarHBondContact OD2-CG 3.16Å; D496-K589 IonicContact OD2-NZ 3.2Å; D496-K589 PolarHBondContact OD2-NZ 2.78Å; D498-K589 IonicContact OD1-NZ 2.94Å; D498-K589 IonicContact OD2-NZ 3.36Å; D498-K589 PolarHBondContact OD2-NZ 3.47Å; D502-K589 HydrophobicContact CB-CB 4.2Å; D502-K589 VanDerWaalsContact OD1-CD 3.29Å; D502-K589 WeakPolarHBondContact OD1-CD 3.12Å; D502-K589 WeakPolarHBondContact OD1-CG 3.32Å; D502-K589 IonicContact OD1-NZ 2.86Å; D502-K589 PolarHBondContact OD1-NZ 2.93Å; D502-K589 IonicContact OD2-NZ 3.91Å; Y587-K589 PolarHBondContact O-N 2.82Å |
| 590 | G | 90.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 172.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V495 Y587 | V495-G590 WeakPolarHBondContact CG1-O 3.39Å; Y587-G590 PolarHBondContact N-O 2.98Å; Y587-G590 CarbonylContact O-C 3.47Å; Y587-G590 WeakPolarHBondContact O-CA 3.46Å; Y587-G590 PolarHBondContact O-N 2.79Å; Y587-G590 VanDerWaalsContact O-O 3.07Å |
| 591 | L | 91.7 | Very high | 92 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138 | 174.3 | -76.3 | 174.1 | 0 | 0 | 0 | 111.3 | L493 L503 L505 L524 V567 Y587 K593 | L493-L591 HydrophobicContact CD2-CD1 3.64Å; L493-L591 HydrophobicContact CD2-CD2 3.89Å; L493-L591 HydrophobicContact CD2-CG 3.75Å; L503-L591 HydrophobicContact CD1-CB 4.33Å; L503-L591 HydrophobicContact CD1-CD1 4.2Å; L503-L591 HydrophobicContact CD1-CG 3.95Å; L505-L591 HydrophobicContact CD1-CD1 4.07Å; L505-L591 HydrophobicContact CD2-CD1 3.97Å; L505-L591 HydrophobicContact CG-CD1 4.44Å; L524-L591 HydrophobicContact CD2-CD1 3.88Å; V567-L591 HydrophobicContact CB-CD1 4.36Å; V567-L591 HydrophobicContact CG2-CD1 3.84Å; V567-L591 HydrophobicContact CG2-CD2 4.16Å; Y587-L591 WeakPolarHBondContact CE1-O 3.28Å; L591-K593 PolarHBondContact O-N 2.85Å |
| 592 | K | 89.1 | Confident | 91.8 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 26% | 0.261 | 19% | 0.189 | S | C | . | . | trans | -63.5 | 126.6 | 168.4 | -66.7 | 177.9 | -174.8 | 158.5 | 0 | 108.1 | Y584 N585 Y587 D594 F775 | Y584-K592 WeakPolarHBondContact CD1-O 3.06Å; N585-K592 HydrophobicContact CB-CD 4.37Å; N585-K592 PolarHBondContact O-N 2.83Å; Y587-K592 HydrophobicContact CD1-CB 4.49Å; Y587-K592 HydrophobicContact CD1-CG 3.63Å; Y587-K592 HydrophobicContact CE1-CG 4.13Å; Y587-K592 HydrophobicContact CG-CG 4.46Å; K592-D594 VanDerWaalsContact C-N 3.33Å; K592-D594 PolarHBondContact O-N 2.82Å; K592-F775 HydrophobicContact CD-CE1 3.86Å; K592-F775 HydrophobicContact CD-CZ 4.03Å; K592-F775 VanDerWaalsContact NZ-CD1 3.31Å | ||
| 593 | K | 90.8 | Very high | 91.6 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 43% | 0.426 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -71.3 | -29.6 | -175.5 | -67.6 | -178.7 | 177.7 | 178.3 | 0 | 112.9 | L524 Q535 N539 Y584 L591 | L524-K593 HydrophobicContact CD1-CG 4.46Å; Q535-K593 VanDerWaalsContact O-CE 3.27Å; Q535-K593 WeakPolarHBondContact O-CE 3.43Å; Q535-K593 PolarHBondContact O-NZ 3.18Å; N539-K593 WeakPolarHBondContact CB-O 3.31Å; N539-K593 PolarHBondContact N-O 2.81Å; Y584-K593 WeakPolarHBondContact CE1-O 3.47Å; L591-K593 PolarHBondContact O-N 2.85Å |
| 594 | D | 89.9 | Confident | 91.5 | Very high | 108 Ų | 108 | 44.3 Ų | 44.3 | 58% | 0.578 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -82.5 | 136.9 | 172.3 | -65.1 | -46.8 | 0 | 0 | 0 | 110.1 | N539 K592 | N539-D594 PolarHBondContact ND2-OD1 2.64Å; K592-D594 VanDerWaalsContact C-N 3.33Å; K592-D594 PolarHBondContact O-N 2.82Å |
| 595 | F | 91.5 | Very high | 91.4 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | trans | -68.9 | 141.7 | 175.2 | 59.4 | -94 | 0 | 0 | 0 | 110.1 | Y582 I583 Y584 R598 | Y582-F595 HydrophobicContact CD1-CB 4.07Å; Y582-F595 AromaticContact CD1-CD1 3.69Å; Y582-F595 HydrophobicContact CD1-CD1 3.69Å; Y582-F595 HydrophobicContact CD1-CD2 4.24Å; Y582-F595 HydrophobicContact CD1-CE1 4.18Å; Y582-F595 AromaticContact CD1-CG 3.73Å; Y582-F595 HydrophobicContact CD1-CG 3.73Å; Y582-F595 AromaticContact CE1-CD1 3.96Å; Y582-F595 HydrophobicContact CE1-CD1 3.96Å; Y582-F595 AromaticContact CE1-CE1 3.98Å; Y582-F595 HydrophobicContact CE1-CE1 3.98Å; Y582-F595 HydrophobicContact CE1-CG 4.34Å; Y582-F595 HydrophobicContact CE1-CZ 4.37Å; I583-F595 CarbonylContact O-C 3.31Å; I583-F595 VanDerWaalsContact O-CA 3.23Å; I583-F595 WeakPolarHBondContact O-CA 3.32Å; I583-F595 WeakPolarHBondContact O-CB 3.32Å; Y584-F595 HydrophobicContact CD1-CB 4.05Å; Y584-F595 HydrophobicContact CE1-CB 3.64Å; Y584-F595 HydrophobicContact CE2-CB 4.38Å; F595-R598 HydrophobicContact CD2-CB 4.14Å; F595-R598 HydrophobicContact CE2-CB 3.88Å | ||
| 596 | S | 88.7 | Confident | 91.4 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -85.7 | -22.6 | 171.4 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | F28 I583 N585 | F28-S596 WeakPolarHBondContact CD1-O 3.17Å; F28-S596 WeakPolarHBondContact CE1-OG 3.45Å; I583-S596 PolarHBondContact O-N 2.51Å; I583-S596 PolarHBondContact O-OG 2.83Å; N585-S596 WeakPolarHBondContact OD1-CB 3.25Å; N585-S596 PolarHBondContact OD1-OG 3.39Å |
| 597 | Q | 90.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 141.1 | 178.4 | -159.2 | 169.3 | -29.1 | 0 | 0 | 112.6 | S27 F28 V30 Y582 I583 I599 | S27-Q597 VanDerWaalsContact CA-CD 3.45Å; F28-Q597 HydrophobicContact CD1-CB 3.84Å; F28-Q597 HydrophobicContact CD1-CG 4.37Å; F28-Q597 HydrophobicContact CE1-CB 3.97Å; V30-Q597 PolarHBondContact O-NE2 3.31Å; Y582-Q597 CarbonylContact C-O 3.51Å; Y582-Q597 WeakPolarHBondContact CA-O 3.08Å; I583-Q597 HydrophobicContact CB-CB 3.93Å; I583-Q597 HydrophobicContact CD1-CB 3.94Å; I583-Q597 HydrophobicContact CD1-CG 4.36Å; I583-Q597 HydrophobicContact CG1-CB 4.16Å; I583-Q597 PolarHBondContact N-O 3.3Å; I583-Q597 PolarHBondContact O-N 3.09Å; Q597-I599 HydrophobicContact CG-CD1 4.42Å; Q597-I599 HydrophobicContact CG-CG1 3.96Å |
| 598 | R | 93.4 | Very high | 91.8 | Very high | 54 Ų | 54 | 52 Ų | 52 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.1 | 167.8 | -178.1 | -174.7 | -176.7 | -86.1 | 9.9 | 109.2 | E574 D575 V580 Y582 F595 | E574-R598 VanDerWaalsContact CD-NH2 3.26Å; E574-R598 IonicContact OE1-CZ 3.66Å; E574-R598 IonicContact OE1-NE 3.08Å; E574-R598 PolarHBondContact OE1-NE 2.95Å; E574-R598 IonicContact OE1-NH2 3.85Å; E574-R598 PolarHBondContact OE1-NH2 3.43Å; E574-R598 IonicContact OE2-NH2 3.81Å; D575-R598 VanDerWaalsContact CG-NH2 3.33Å; D575-R598 IonicContact OD1-CZ 2.78Å; D575-R598 IonicContact OD1-NH2 2.68Å; D575-R598 PolarHBondContact OD1-NH2 2.82Å; D575-R598 IonicContact OD2-CZ 3.07Å; D575-R598 IonicContact OD2-NH1 3.33Å; D575-R598 PolarHBondContact OD2-NH1 2.87Å; D575-R598 IonicContact OD2-NH2 3.84Å; D575-R598 PolarHBondContact OD2-NH2 3.21Å; V580-R598 HydrophobicContact CG1-CG 3.48Å; V580-R598 VanDerWaalsContact CG1-CG 3.48Å; Y582-R598 HydrophobicContact CD1-CB 4.18Å; Y582-R598 HydrophobicContact CD1-CG 4.11Å; Y582-R598 HydrophobicContact CE1-CB 4.06Å; Y582-R598 HydrophobicContact CE1-CG 3.62Å; Y582-R598 PolarHBondContact OH-NE 2.97Å; F595-R598 HydrophobicContact CD2-CB 4.14Å; F595-R598 HydrophobicContact CE2-CB 3.88Å |
| 599 | I | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 104.8 | -179.6 | -51.7 | 179.3 | 0 | 0 | 0 | 109.4 | V30 T32 V580 I581 I583 Q597 L604 L640 | V30-I599 HydrophobicContact CB-CD1 3.88Å; V30-I599 HydrophobicContact CG1-CD1 3.7Å; T32-I599 HydrophobicContact CG2-CG2 3.74Å; V580-I599 WeakPolarHBondContact CA-O 3.38Å; I581-I599 HydrophobicContact CD1-CB 4.4Å; I581-I599 HydrophobicContact CD1-CD1 4.16Å; I581-I599 HydrophobicContact CG1-CB 3.8Å; I581-I599 HydrophobicContact CG1-CD1 4.36Å; I581-I599 HydrophobicContact CG1-CG1 4.34Å; I581-I599 PolarHBondContact N-O 2.99Å; I581-I599 PolarHBondContact O-N 2.93Å; I583-I599 HydrophobicContact CD1-CD1 4.36Å; Q597-I599 HydrophobicContact CG-CD1 4.42Å; Q597-I599 HydrophobicContact CG-CG1 3.96Å; I599-L604 HydrophobicContact CG2-CD1 4.31Å; I599-L640 HydrophobicContact CD1-CD1 4.06Å |
| 600 | P | 95.1 | Very high | 92.8 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.065 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 135.8 | 174.5 | 30.3 | -31.3 | 0 | 0 | 0 | 110.9 | D575 V580 S602 K603 | D575-P600 WeakPolarHBondContact OD2-CB 3.08Å; V580-P600 HydrophobicContact CG2-CB 4.28Å; P600-S602 PolarHBondContact O-N 2.85Å; P600-K603 HydrophobicContact CG-CB 3.92Å; P600-K603 WeakPolarHBondContact O-CB 3.22Å; P600-K603 PolarHBondContact O-N 2.86Å; P600-K603 VanDerWaalsContact O-N 3.09Å |
| 601 | G | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -31.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G579 K603 L604 N605 L608 | G579-G601 PolarHBondContact O-N 2.8Å; G601-K603 PolarHBondContact O-N 2.96Å; G601-L604 WeakPolarHBondContact O-CB 3.24Å; G601-L604 PolarHBondContact O-N 2.79Å; G601-N605 PolarHBondContact O-N 2.77Å; G601-L608 WeakPolarHBondContact O-CD1 3.4Å |
| 602 | S | 94.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -27.6 | 177.1 | 59.7 | 0 | 0 | 0 | 0 | 114 | P600 L604 | P600-S602 PolarHBondContact O-N 2.85Å; S602-L604 VanDerWaalsContact C-N 3.31Å |
| 603 | K | 92.3 | Very high | 93.9 | Very high | 91 Ų | 91 | 47.4 Ų | 47.4 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.5 | -32 | 174.1 | -177.9 | -178.6 | -178.6 | -161.4 | 0 | 111.6 | T32 P600 G601 D767 | T32-K603 HydrophobicContact CG2-CD 4.17Å; T32-K603 VanDerWaalsContact OG1-CE 3.24Å; T32-K603 WeakPolarHBondContact OG1-CE 3.44Å; T32-K603 PolarHBondContact OG1-NZ 2.91Å; P600-K603 HydrophobicContact CG-CB 3.92Å; P600-K603 WeakPolarHBondContact O-CB 3.22Å; P600-K603 PolarHBondContact O-N 2.86Å; P600-K603 VanDerWaalsContact O-N 3.09Å; G601-K603 PolarHBondContact O-N 2.96Å; K603-D767 IonicContact NZ-OD1 2.9Å |
| 604 | L | 93.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 16% | 0.162 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -84.1 | -48.9 | -178 | -57.8 | 171.4 | 0 | 0 | 0 | 111.1 | T32 A35 I599 G601 S602 L608 F611 V638 L640 | T32-L604 HydrophobicContact CG2-CD2 3.9Å; A35-L604 HydrophobicContact CB-CD2 4.02Å; I599-L604 HydrophobicContact CG2-CD1 4.31Å; G601-L604 WeakPolarHBondContact O-CB 3.24Å; G601-L604 PolarHBondContact O-N 2.79Å; S602-L604 VanDerWaalsContact C-N 3.31Å; L604-L608 HydrophobicContact CB-CD1 4.08Å; L604-F611 HydrophobicContact CD1-CE1 4.35Å; L604-F611 HydrophobicContact CD1-CE2 3.89Å; L604-F611 HydrophobicContact CD1-CZ 3.68Å; L604-V638 HydrophobicContact CD1-CG1 4.09Å; L604-L640 HydrophobicContact CD1-CD2 3.84Å; L604-L640 HydrophobicContact CD2-CD2 4.02Å |
| 605 | N | 93.5 | Very high | 94.7 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | trans | -154.9 | 120.4 | 174.2 | 176.8 | -15.8 | 0 | 0 | 0 | 109 | I37 G601 Q607 L608 | I37-N605 HydrophobicContact CD1-CB 3.68Å; G601-N605 PolarHBondContact O-N 2.77Å; N605-Q607 PolarHBondContact O-N 3.26Å; N605-Q607 WeakPolarHBondContact OD1-CB 3.25Å; N605-Q607 PolarHBondContact OD1-N 2.84Å; N605-L608 HydrophobicContact CB-CD1 3.97Å; N605-L608 HydrophobicContact CB-CG 3.95Å; N605-L608 WeakPolarHBondContact O-CB 3.43Å; N605-L608 PolarHBondContact O-N 2.88Å | ||
| 606 | P | 93.4 | Very high | 94.9 | Very high | 85 Ų | 85 | 37.2 Ų | 37.2 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.2 | -179.2 | -26.4 | 34.7 | 0 | 0 | 0 | 115.1 | K578 | K578-P606 WeakPolarHBondContact CE-O 3.36Å; K578-P606 PolarHBondContact NZ-O 2.86Å |
| 607 | Q | 93.5 | Very high | 95.2 | Very high | 147 Ų | 147 | 36 Ų | 36 | 69% | 0.687 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.2 | 178.9 | -59.2 | -58 | -31.6 | 0 | 0 | 113.8 | N605 | N605-Q607 PolarHBondContact O-N 3.26Å; N605-Q607 WeakPolarHBondContact OD1-CB 3.25Å; N605-Q607 PolarHBondContact OD1-N 2.84Å |
| 608 | L | 95.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -58.7 | 143.3 | 176.2 | -76.8 | 169.6 | 0 | 0 | 0 | 111 | K578 G601 L604 N605 F611 A633 S636 V638 | K578-L608 WeakPolarHBondContact CD-O 3.49Å; G601-L608 WeakPolarHBondContact O-CD1 3.4Å; L604-L608 HydrophobicContact CB-CD1 4.08Å; N605-L608 HydrophobicContact CB-CD1 3.97Å; N605-L608 HydrophobicContact CB-CG 3.95Å; N605-L608 WeakPolarHBondContact O-CB 3.43Å; N605-L608 PolarHBondContact O-N 2.88Å; L608-F611 HydrophobicContact CD1-CD2 4.29Å; L608-A633 HydrophobicContact CD2-CB 4.04Å; L608-S636 WeakPolarHBondContact CD2-OG 3.23Å; L608-V638 HydrophobicContact CD1-CG2 4.09Å; L608-V638 HydrophobicContact CD2-CG2 4.17Å | ||
| 609 | Q | 96.6 | Very high | 95 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | trans | -136.9 | 144.7 | 175.2 | -66.2 | -176 | 6.2 | 0 | 0 | 108.8 | G577 F611 A633 Y634 | G577-Q609 WeakPolarHBondContact O-CA 3.24Å; Q609-F611 PolarHBondContact O-N 2.89Å; Q609-F611 VanDerWaalsContact O-N 3.15Å; Q609-A633 WeakPolarHBondContact O-CB 3.5Å; Q609-Y634 PolarHBondContact O-N 2.88Å | ||
| 610 | F | 97.4 | Very high | 95 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 32% | 0.32 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 54.4 | 31.6 | 179.6 | -49.5 | -27.3 | 0 | 0 | 0 | 113.9 | P572 L573 G577 G612 R613 Y634 | P572-F610 HydrophobicContact CB-CB 3.95Å; P572-F610 WeakPolarHBondContact CB-O 3.19Å; P572-F610 WeakPolarHBondContact O-CA 3.38Å; L573-F610 HydrophobicContact CD2-CD1 3.46Å; L573-F610 VanDerWaalsContact CD2-CD1 3.46Å; L573-F610 HydrophobicContact CD2-CE1 3.34Å; L573-F610 HydrophobicContact CD2-CG 4.45Å; L573-F610 HydrophobicContact CD2-CZ 4.27Å; G577-F610 WeakPolarHBondContact O-CD1 3.48Å; G577-F610 PolarHBondContact O-N 2.99Å; F610-G612 PolarHBondContact O-N 2.88Å; F610-R613 WeakPolarHBondContact O-CB 3.35Å; F610-R613 WeakPolarHBondContact O-CG 3.49Å; F610-R613 PolarHBondContact O-N 2.7Å; F610-Y634 HydrophobicContact CD2-CD2 4.49Å; F610-Y634 HydrophobicContact CD2-CG 4.19Å |
| 611 | F | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 125.2 | 174.9 | 177.1 | -102.6 | 0 | 0 | 0 | 110.4 | P572 K578 G579 V580 I581 L604 L608 Q609 V631 A633 V638 L640 | P572-F611 WeakPolarHBondContact CA-O 3.15Å; K578-F611 VanDerWaalsContact O-CB 3.28Å; K578-F611 WeakPolarHBondContact O-CB 3.13Å; K578-F611 PolarHBondContact O-N 2.64Å; G579-F611 CarbonylContact C-O 3.54Å; G579-F611 VanDerWaalsContact CA-O 3.27Å; G579-F611 WeakPolarHBondContact CA-O 3.34Å; V580-F611 PolarHBondContact N-O 2.88Å; I581-F611 HydrophobicContact CB-CE1 4.38Å; I581-F611 HydrophobicContact CD1-CE1 4.35Å; I581-F611 HydrophobicContact CD1-CZ 4.31Å; I581-F611 HydrophobicContact CG1-CE1 3.93Å; I581-F611 HydrophobicContact CG1-CZ 4.38Å; I581-F611 HydrophobicContact CG2-CD1 4.24Å; I581-F611 HydrophobicContact CG2-CE1 3.83Å; I581-F611 HydrophobicContact CG2-CZ 4.39Å; L604-F611 HydrophobicContact CD1-CE1 4.35Å; L604-F611 HydrophobicContact CD1-CE2 3.89Å; L604-F611 HydrophobicContact CD1-CZ 3.68Å; L608-F611 HydrophobicContact CD1-CD2 4.29Å; Q609-F611 PolarHBondContact O-N 2.89Å; Q609-F611 VanDerWaalsContact O-N 3.15Å; F611-V631 HydrophobicContact CD1-CG1 4.46Å; F611-V631 HydrophobicContact CD2-CB 4.22Å; F611-V631 HydrophobicContact CD2-CG1 3.64Å; F611-V631 HydrophobicContact CE1-CG1 4.28Å; F611-V631 HydrophobicContact CE2-CB 3.58Å; F611-V631 HydrophobicContact CE2-CG1 3.4Å; F611-V631 VanDerWaalsContact CE2-CG1 3.4Å; F611-V631 HydrophobicContact CE2-CG2 4.03Å; F611-V631 HydrophobicContact CG-CG1 4.17Å; F611-V631 HydrophobicContact CZ-CB 3.98Å; F611-V631 HydrophobicContact CZ-CG1 3.75Å; F611-V631 HydrophobicContact CZ-CG2 3.94Å; F611-A633 HydrophobicContact CB-CB 4.31Å; F611-A633 HydrophobicContact CD2-CB 4.45Å; F611-V638 HydrophobicContact CD2-CG2 4.07Å; F611-V638 HydrophobicContact CE2-CB 3.9Å; F611-V638 HydrophobicContact CE2-CG1 4.27Å; F611-V638 HydrophobicContact CE2-CG2 3.85Å; F611-L640 HydrophobicContact CZ-CD1 4.31Å |
| 612 | G | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 13.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G570 F610 S614 V631 G632 | G570-G612 WeakPolarHBondContact CA-O 3.4Å; F610-G612 PolarHBondContact O-N 2.88Å; G612-S614 VanDerWaalsContact C-N 3.31Å; G612-V631 VanDerWaalsContact N-CG1 3.29Å; G612-G632 PolarHBondContact N-O 2.79Å |
| 613 | R | 97.5 | Very high | 94.4 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -71.1 | -24.1 | 175.1 | 66.2 | -178 | -74.9 | 175.3 | 1.3 | 113.8 | E45 G47 P572 F610 G632 | E45-R613 IonicContact OE2-CZ 3.25Å; E45-R613 IonicContact OE2-NH1 2.73Å; E45-R613 PolarHBondContact OE2-NH1 3.3Å; E45-R613 IonicContact OE2-NH2 3.22Å; E45-R613 PolarHBondContact OE2-NH2 3.37Å; G47-R613 WeakPolarHBondContact O-CD 3.22Å; P572-R613 HydrophobicContact CB-CB 4.17Å; P572-R613 HydrophobicContact CG-CB 4.36Å; F610-R613 WeakPolarHBondContact O-CB 3.35Å; F610-R613 WeakPolarHBondContact O-CG 3.49Å; F610-R613 PolarHBondContact O-N 2.7Å; R613-G632 WeakPolarHBondContact CG-O 3.22Å; R613-G632 PolarHBondContact N-O 2.77Å |
| 614 | S | 98.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.6 | 173.9 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | G47 Y48 G612 G632 | G47-S614 PolarHBondContact O-OG 3.46Å; G47-S614 VanDerWaalsContact O-OG 3.13Å; Y48-S614 WeakPolarHBondContact O-CB 3.43Å; Y48-S614 PolarHBondContact O-OG 2.6Å; Y48-S614 VanDerWaalsContact O-OG 3.13Å; G612-S614 VanDerWaalsContact C-N 3.31Å; S614-G632 PolarHBondContact O-N 3.05Å; S614-G632 WeakPolarHBondContact OG-CA 3.1Å |
| 615 | L | 98 | Very high | 93.9 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 143.2 | -169.7 | -62.9 | 169.4 | 0 | 0 | 0 | 110.2 | A552 V568 I581 S630 V631 | A552-L615 HydrophobicContact CB-CB 4.48Å; A552-L615 HydrophobicContact CB-CD1 3.8Å; A552-L615 HydrophobicContact CB-CG 3.92Å; V568-L615 HydrophobicContact CG1-CD1 4.13Å; V568-L615 HydrophobicContact CG2-CD1 4.05Å; V568-L615 HydrophobicContact CG2-CD2 4.24Å; I581-L615 HydrophobicContact CG2-CD2 3.95Å; L615-S630 WeakPolarHBondContact CA-O 3.33Å; L615-V631 HydrophobicContact CD2-CB 4.27Å; L615-V631 HydrophobicContact CD2-CG1 3.88Å; L615-V631 HydrophobicContact CD2-CG2 3.95Å |
| 616 | D | 96.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 139.4 | 160.1 | -172.6 | 14.2 | 0 | 0 | 0 | 109.1 | Q51 Q52 N618 S630 | Q51-D616 WeakPolarHBondContact CA-OD2 3.29Å; Q52-D616 WeakPolarHBondContact CB-OD2 3.48Å; Q52-D616 HydrophobicContact CG-CB 4.14Å; Q52-D616 PolarHBondContact N-OD2 2.64Å; Q52-D616 PolarHBondContact NE2-O 3.46Å; D616-N618 PolarHBondContact OD1-ND2 2.8Å; D616-S630 PolarHBondContact N-O 3.24Å; D616-S630 VanDerWaalsContact N-O 3.08Å; D616-S630 PolarHBondContact O-N 3.25Å |
| 617 | S | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -150.7 | 25.5 | -168.2 | 53.6 | 0 | 0 | 0 | 0 | 114 | S554 V555 I556 P557 D628 | S554-S617 WeakPolarHBondContact CB-OG 3.36Å; S554-S617 PolarHBondContact OG-N 2.77Å; S554-S617 PolarHBondContact OG-OG 3.33Å; V555-S617 PolarHBondContact O-OG 3.26Å; I556-S617 WeakPolarHBondContact CG1-OG 3.33Å; P557-S617 WeakPolarHBondContact CD-O 3.26Å; S617-D628 VanDerWaalsContact CA-O 3.28Å; S617-D628 WeakPolarHBondContact CA-O 3.18Å | ||
| 618 | N | 89.4 | Confident | 93.9 | Very high | 75 Ų | 75 | 35.5 Ų | 35.5 | 40% | 0.401 | 18% | 0.181 | S | C | . | . | trans | -94 | -7.1 | -170.7 | -69.2 | -62 | 0 | 0 | 0 | 114.5 | V555 D616 | V555-N618 PolarHBondContact O-OD1 2.74Å; D616-N618 PolarHBondContact OD1-ND2 2.8Å | ||
| 619 | K | 91.4 | Very high | 94 | Very high | 82 Ų | 82 | 35.2 Ų | 35.2 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -129.3 | 146.8 | -171.9 | -57.2 | -65.7 | -177.7 | -177.7 | 0 | 111.7 | Q52 P54 L621 D628 | Q52-K619 HydrophobicContact CB-CB 4.19Å; Q52-K619 HydrophobicContact CB-CG 4.09Å; Q52-K619 PolarHBondContact OE1-O 3.2Å; P54-K619 HydrophobicContact CG-CB 4.42Å; P54-K619 HydrophobicContact CG-CD 4.14Å; P54-K619 HydrophobicContact CG-CG 4.05Å; K619-L621 HydrophobicContact CB-CD2 4.19Å; K619-D628 PolarHBondContact O-N 2.88Å |
| 620 | D | 92.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.214 | 16% | 0.162 | C | C | . | . | trans | -79.7 | 119.4 | 163.3 | 168.6 | -1.2 | 0 | 0 | 0 | 108.9 | K59 N622 D623 D624 T625 I626 | K59-D620 PolarHBondContact NZ-O 2.95Å; K59-D620 IonicContact NZ-OD1 2.78Å; D620-N622 PolarHBondContact OD1-N 2.79Å; D620-N622 PolarHBondContact OD1-OD1 3.45Å; D620-D623 WeakPolarHBondContact OD1-CA 3.34Å; D620-D623 PolarHBondContact OD1-N 3.38Å; D620-D623 VanDerWaalsContact OD2-CA 3.27Å; D620-D623 WeakPolarHBondContact OD2-CA 3.36Å; D620-D624 PolarHBondContact OD1-N 3.19Å; D620-D624 PolarHBondContact OD2-N 2.95Å; D620-T625 VanDerWaalsContact OD2-CA 3.24Å; D620-T625 WeakPolarHBondContact OD2-CA 3.43Å; D620-T625 PolarHBondContact OD2-N 3Å; D620-I626 WeakPolarHBondContact CB-O 3.27Å | ||
| 621 | L | 92.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -105.5 | -4.5 | -176.1 | -64.2 | -178.5 | 0 | 0 | 0 | 114.8 | Q52 K59 L61 V80 K619 D628 W641 | Q52-L621 HydrophobicContact CB-CD1 4.34Å; Q52-L621 HydrophobicContact CB-CD2 4.41Å; Q52-L621 HydrophobicContact CG-CD1 3.86Å; K59-L621 HydrophobicContact CB-CD2 4.26Å; K59-L621 HydrophobicContact CD-CD2 4.41Å; K59-L621 WeakPolarHBondContact CD-O 3.37Å; K59-L621 PolarHBondContact NZ-O 3.18Å; L61-L621 HydrophobicContact CD2-CD1 3.77Å; V80-L621 HydrophobicContact CG1-CB 4.09Å; V80-L621 HydrophobicContact CG2-CD1 4.31Å; K619-L621 HydrophobicContact CB-CD2 4.19Å; L621-D628 WeakPolarHBondContact CA-OD2 2.95Å; L621-D628 HydrophobicContact CB-CB 4.31Å; L621-D628 WeakPolarHBondContact CB-OD2 3.13Å; L621-D628 PolarHBondContact N-OD2 3.1Å; L621-W641 HydrophobicContact CB-CZ3 3.93Å |
| 622 | N | 90.5 | Very high | 94.1 | Very high | 59 Ų | 59 | 27.8 Ų | 27.8 | 32% | 0.316 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -121.4 | 3.1 | 178.4 | 66.8 | 4.6 | 0 | 0 | 0 | 114.2 | D620 D624 D628 W641 | D620-N622 PolarHBondContact OD1-N 2.79Å; D620-N622 PolarHBondContact OD1-OD1 3.45Å; N622-D624 VanDerWaalsContact C-N 3.3Å; N622-D624 VanDerWaalsContact ND2-CG 3.35Å; N622-D624 PolarHBondContact ND2-OD2 2.66Å; N622-D624 VanDerWaalsContact OD1-CB 3.3Å; N622-D624 WeakPolarHBondContact OD1-CB 3.28Å; N622-D624 PolarHBondContact OD1-N 2.87Å; N622-D624 PolarHBondContact OD1-OD1 3.09Å; N622-D624 VanDerWaalsContact OD1-OD1 3.1Å; N622-D624 PolarHBondContact OD1-OD2 3.03Å; N622-D628 PolarHBondContact N-OD2 3.11Å; N622-W641 HydrophobicContact CB-CE3 3.82Å; N622-W641 HydrophobicContact CB-CH2 4.37Å; N622-W641 HydrophobicContact CB-CZ3 3.63Å |
| 623 | D | 89.1 | Confident | 94.1 | Very high | 107 Ų | 107 | 27.8 Ų | 27.8 | 57% | 0.572 | 15% | 0.147 | S | C | * | . | S | Bend | trans | 64.3 | 28 | -178.5 | -57.3 | -60.2 | 0 | 0 | 0 | 113.7 | K59 D620 | K59-D623 WeakPolarHBondContact CE-OD1 3.33Å; K59-D623 VanDerWaalsContact CE-OD2 3.27Å; K59-D623 WeakPolarHBondContact CE-OD2 3.33Å; K59-D623 VanDerWaalsContact NZ-N 3.2Å; K59-D623 IonicContact NZ-OD1 3.18Å; K59-D623 PolarHBondContact NZ-OD1 3.25Å; K59-D623 IonicContact NZ-OD2 2.86Å; K59-D623 PolarHBondContact NZ-OD2 3.17Å; K59-D623 VanDerWaalsContact NZ-OD2 3.08Å; D620-D623 WeakPolarHBondContact OD1-CA 3.34Å; D620-D623 PolarHBondContact OD1-N 3.38Å; D620-D623 VanDerWaalsContact OD2-CA 3.27Å; D620-D623 WeakPolarHBondContact OD2-CA 3.36Å |
| 624 | D | 87.1 | Confident | 94.1 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 20% | 0.203 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -92.7 | 6.4 | 176.1 | 79.2 | 8.9 | 0 | 0 | 0 | 114.3 | D620 N622 I626 | D620-D624 PolarHBondContact OD1-N 3.19Å; D620-D624 PolarHBondContact OD2-N 2.95Å; N622-D624 VanDerWaalsContact C-N 3.3Å; N622-D624 VanDerWaalsContact ND2-CG 3.35Å; N622-D624 PolarHBondContact ND2-OD2 2.66Å; N622-D624 VanDerWaalsContact OD1-CB 3.3Å; N622-D624 WeakPolarHBondContact OD1-CB 3.28Å; N622-D624 PolarHBondContact OD1-N 2.87Å; N622-D624 PolarHBondContact OD1-OD1 3.09Å; N622-D624 VanDerWaalsContact OD1-OD1 3.1Å; N622-D624 PolarHBondContact OD1-OD2 3.03Å; D624-I626 PolarHBondContact O-N 2.87Å; D624-I626 WeakPolarHBondContact OD1-CA 3.49Å; D624-I626 VanDerWaalsContact OD1-CB 3.29Å; D624-I626 WeakPolarHBondContact OD1-CB 3.48Å; D624-I626 PolarHBondContact OD1-N 3.4Å |
| 625 | T | 89 | Confident | 94.1 | Very high | 88 Ų | 88 | 29.2 Ų | 29.2 | 54% | 0.54 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 73.2 | -2.8 | -178.1 | 72.6 | 0 | 0 | 0 | 0 | 115.9 | D620 P688 | D620-T625 VanDerWaalsContact OD2-CA 3.24Å; D620-T625 WeakPolarHBondContact OD2-CA 3.43Å; D620-T625 PolarHBondContact OD2-N 3Å; T625-P688 VanDerWaalsContact OG1-CB 3.3Å; T625-P688 WeakPolarHBondContact OG1-CB 3.37Å; T625-P688 WeakPolarHBondContact OG1-CG 3.25Å |
| 626 | I | 91.8 | Very high | 94 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -101.3 | 135 | 178.6 | -45.2 | 176.6 | 0 | 0 | 0 | 108.6 | L559 L561 D620 D624 R643 P688 | L559-I626 HydrophobicContact CD1-CG2 4.39Å; L561-I626 HydrophobicContact CD1-CG1 4.34Å; D620-I626 WeakPolarHBondContact CB-O 3.27Å; D624-I626 PolarHBondContact O-N 2.87Å; D624-I626 WeakPolarHBondContact OD1-CA 3.49Å; D624-I626 VanDerWaalsContact OD1-CB 3.29Å; D624-I626 WeakPolarHBondContact OD1-CB 3.48Å; D624-I626 PolarHBondContact OD1-N 3.4Å; I626-R643 VanDerWaalsContact CD1-C 3.47Å; I626-P688 HydrophobicContact CD1-CG 4.36Å; I626-P688 HydrophobicContact CG1-CG 4.24Å |
| 627 | P | 93.4 | Very high | 94 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 139.1 | 174.6 | 25.9 | -34.3 | 0 | 0 | 0 | 111.3 | I556 P557 D558 S642 | I556-P627 HydrophobicContact CG2-CB 4.1Å; I556-P627 HydrophobicContact CG2-CG 3.66Å; P557-P627 HydrophobicContact CG-CB 4.42Å; D558-P627 WeakPolarHBondContact O-CD 3.47Å; P627-S642 WeakPolarHBondContact O-CB 3.46Å; P627-S642 PolarHBondContact O-OG 3.42Å |
| 628 | D | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -103.4 | 162.8 | -179.4 | -70.9 | -51.5 | 0 | 0 | 0 | 112 | Q52 S617 K619 L621 N622 W641 S642 | Q52-D628 PolarHBondContact NE2-O 2.77Å; S617-D628 VanDerWaalsContact CA-O 3.28Å; S617-D628 WeakPolarHBondContact CA-O 3.18Å; K619-D628 PolarHBondContact O-N 2.88Å; L621-D628 WeakPolarHBondContact CA-OD2 2.95Å; L621-D628 HydrophobicContact CB-CB 4.31Å; L621-D628 WeakPolarHBondContact CB-OD2 3.13Å; L621-D628 PolarHBondContact N-OD2 3.1Å; N622-D628 PolarHBondContact N-OD2 3.11Å; D628-W641 HydrophobicContact CB-CE3 4.47Å; D628-W641 WeakPolarHBondContact OD1-CA 3.19Å; D628-W641 WeakPolarHBondContact OD2-CZ3 3.34Å; D628-S642 PolarHBondContact OD1-N 3.16Å |
| 629 | I | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.3 | -176.9 | -52.4 | -172.2 | 0 | 0 | 0 | 111.3 | V30 I556 V568 I581 I583 V631 Q639 L640 | V30-I629 HydrophobicContact CG2-CD1 3.67Å; V30-I629 HydrophobicContact CG2-CG1 4.3Å; I556-I629 HydrophobicContact CD1-CD1 3.91Å; V568-I629 HydrophobicContact CB-CD1 4.41Å; I581-I629 HydrophobicContact CD1-CG2 4.38Å; I583-I629 HydrophobicContact CD1-CD1 4.06Å; I629-V631 HydrophobicContact CG2-CG2 3.81Å; I629-Q639 PolarHBondContact O-NE2 2.84Å; I629-L640 HydrophobicContact CB-CB 4.4Å; I629-L640 PolarHBondContact N-O 3.48Å; I629-L640 WeakPolarHBondContact O-CB 3.47Å; I629-L640 PolarHBondContact O-N 2.96Å |
| 630 | S | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.7 | 171.6 | -49.3 | 0 | 0 | 0 | 0 | 110.4 | Q52 L61 L615 D616 V638 Q639 | Q52-S630 WeakPolarHBondContact CG-OG 3Å; Q52-S630 PolarHBondContact NE2-OG 2.93Å; L61-S630 WeakPolarHBondContact CD2-OG 3.29Å; L615-S630 WeakPolarHBondContact CA-O 3.33Å; D616-S630 PolarHBondContact N-O 3.24Å; D616-S630 VanDerWaalsContact N-O 3.08Å; D616-S630 PolarHBondContact O-N 3.25Å; S630-V638 WeakPolarHBondContact CA-O 3.48Å; S630-Q639 PolarHBondContact OG-OE1 2.86Å |
| 631 | V | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.6 | -171.4 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | I581 F611 G612 L615 I629 V637 V638 L640 | I581-V631 HydrophobicContact CD1-CG2 3.96Å; I581-V631 HydrophobicContact CG2-CG1 4.03Å; F611-V631 HydrophobicContact CD1-CG1 4.46Å; F611-V631 HydrophobicContact CD2-CB 4.22Å; F611-V631 HydrophobicContact CD2-CG1 3.64Å; F611-V631 HydrophobicContact CE1-CG1 4.28Å; F611-V631 HydrophobicContact CE2-CB 3.58Å; F611-V631 HydrophobicContact CE2-CG1 3.4Å; F611-V631 VanDerWaalsContact CE2-CG1 3.4Å; F611-V631 HydrophobicContact CE2-CG2 4.03Å; F611-V631 HydrophobicContact CG-CG1 4.17Å; F611-V631 HydrophobicContact CZ-CB 3.98Å; F611-V631 HydrophobicContact CZ-CG1 3.75Å; F611-V631 HydrophobicContact CZ-CG2 3.94Å; G612-V631 VanDerWaalsContact N-CG1 3.29Å; L615-V631 HydrophobicContact CD2-CB 4.27Å; L615-V631 HydrophobicContact CD2-CG1 3.88Å; L615-V631 HydrophobicContact CD2-CG2 3.95Å; I629-V631 HydrophobicContact CG2-CG2 3.81Å; V631-V637 WeakPolarHBondContact O-CA 3.42Å; V631-V638 PolarHBondContact N-O 3.11Å; V631-V638 PolarHBondContact O-N 3.28Å; V631-L640 HydrophobicContact CG2-CD1 4.2Å |
| 632 | G | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 147.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G612 R613 S614 | G612-G632 PolarHBondContact N-O 2.79Å; R613-G632 WeakPolarHBondContact CG-O 3.22Å; R613-G632 PolarHBondContact N-O 2.77Å; S614-G632 PolarHBondContact O-N 3.05Å; S614-G632 WeakPolarHBondContact OG-CA 3.1Å |
| 633 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 173.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L608 Q609 F611 G635 S636 | L608-A633 HydrophobicContact CD2-CB 4.04Å; Q609-A633 WeakPolarHBondContact O-CB 3.5Å; F611-A633 HydrophobicContact CB-CB 4.31Å; F611-A633 HydrophobicContact CD2-CB 4.45Å; A633-G635 PolarHBondContact O-N 2.84Å; A633-S636 CarbonylContact C-O 3.52Å; A633-S636 WeakPolarHBondContact CA-O 3.46Å; A633-S636 PolarHBondContact N-O 3.12Å; A633-S636 PolarHBondContact O-N 3.48Å |
| 634 | Y | 97.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 13.9 Ų | 13.9 | 30% | 0.298 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 113.9 | 177.9 | -175.7 | -118.7 | 0 | 0 | 0 | 111 | A42 E45 Q609 F610 S636 | A42-Y634 HydrophobicContact CB-CD1 4.26Å; A42-Y634 HydrophobicContact CB-CE1 3.75Å; A42-Y634 HydrophobicContact CB-CE2 4.34Å; A42-Y634 VanDerWaalsContact O-CE2 3.23Å; A42-Y634 WeakPolarHBondContact O-CE2 3.38Å; A42-Y634 PolarHBondContact O-OH 3.23Å; E45-Y634 WeakPolarHBondContact OE1-CE2 3.39Å; Q609-Y634 PolarHBondContact O-N 2.88Å; F610-Y634 HydrophobicContact CD2-CD2 4.49Å; F610-Y634 HydrophobicContact CD2-CG 4.19Å; Y634-S636 PolarHBondContact O-N 2.77Å |
| 635 | G | 96.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 12.2 Ų | 12.2 | 8% | 0.082 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 11.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G40 F46 A633 | G40-G635 PolarHBondContact N-O 2.85Å; G40-G635 VanDerWaalsContact O-O 3.08Å; F46-G635 WeakPolarHBondContact O-CA 3.38Å; F46-G635 PolarHBondContact O-N 3.32Å; A633-G635 PolarHBondContact O-N 2.84Å |
| 636 | S | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 8 Ų | 8 | 3% | 0.028 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.5 | -179.2 | 55 | 0 | 0 | 0 | 0 | 113.2 | F38 L608 A633 Y634 | F38-S636 CarbonylContact O-C 3.54Å; F38-S636 WeakPolarHBondContact O-CA 3.3Å; F38-S636 VanDerWaalsContact O-CB 3.24Å; F38-S636 WeakPolarHBondContact O-CB 3.48Å; L608-S636 WeakPolarHBondContact CD2-OG 3.23Å; A633-S636 CarbonylContact C-O 3.52Å; A633-S636 WeakPolarHBondContact CA-O 3.46Å; A633-S636 PolarHBondContact N-O 3.12Å; A633-S636 PolarHBondContact O-N 3.48Å; Y634-S636 PolarHBondContact O-N 2.77Å |
| 637 | V | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.2 | 170.1 | 172.2 | 0 | 0 | 0 | 0 | 108.3 | F38 F46 V50 L61 V63 V631 | F38-V637 PolarHBondContact N-O 2.92Å; F38-V637 PolarHBondContact O-N 3.06Å; F46-V637 HydrophobicContact CE1-CB 4.37Å; F46-V637 HydrophobicContact CE1-CG2 3.93Å; F46-V637 HydrophobicContact CZ-CG2 4.45Å; V50-V637 HydrophobicContact CB-CG1 4.46Å; V50-V637 HydrophobicContact CG2-CG1 3.7Å; L61-V637 HydrophobicContact CD1-CG1 3.77Å; V63-V637 HydrophobicContact CB-CG2 4.21Å; V63-V637 HydrophobicContact CG1-CG2 3.47Å; V63-V637 VanDerWaalsContact CG1-CG2 3.47Å; V63-V637 HydrophobicContact CG2-CB 4.21Å; V63-V637 HydrophobicContact CG2-CG1 4.35Å; V63-V637 HydrophobicContact CG2-CG2 3.65Å; V631-V637 WeakPolarHBondContact O-CA 3.42Å |
| 638 | V | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.1 | -176.6 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | A35 K36 I37 L604 L608 F611 S630 V631 L640 | A35-V638 HydrophobicContact CB-CG1 4.29Å; K36-V638 CarbonylContact O-C 3.01Å; K36-V638 WeakPolarHBondContact O-CA 3.32Å; I37-V638 HydrophobicContact CG1-CG1 4.25Å; I37-V638 HydrophobicContact CG1-CG2 4.2Å; I37-V638 HydrophobicContact CG2-CG2 4.37Å; L604-V638 HydrophobicContact CD1-CG1 4.09Å; L608-V638 HydrophobicContact CD1-CG2 4.09Å; L608-V638 HydrophobicContact CD2-CG2 4.17Å; F611-V638 HydrophobicContact CD2-CG2 4.07Å; F611-V638 HydrophobicContact CE2-CB 3.9Å; F611-V638 HydrophobicContact CE2-CG1 4.27Å; F611-V638 HydrophobicContact CE2-CG2 3.85Å; S630-V638 WeakPolarHBondContact CA-O 3.48Å; V631-V638 PolarHBondContact N-O 3.11Å; V631-V638 PolarHBondContact O-N 3.28Å; V638-L640 HydrophobicContact CG1-CD2 3.95Å; V638-L640 HydrophobicContact CG1-CG 4.25Å |
| 639 | Q | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.5 | 167.1 | -174.9 | 57.5 | 44.9 | 0 | 0 | 109.3 | A35 K36 F38 L61 V80 I629 S630 W641 | A35-Q639 CarbonylContact C-O 3.54Å; A35-Q639 WeakPolarHBondContact CA-O 3.15Å; K36-Q639 HydrophobicContact CB-CB 4.14Å; K36-Q639 PolarHBondContact N-O 2.81Å; K36-Q639 PolarHBondContact O-N 2.77Å; F38-Q639 HydrophobicContact CE2-CB 4.5Å; L61-Q639 HydrophobicContact CD1-CB 4.36Å; V80-Q639 HydrophobicContact CG1-CG 4.42Å; I629-Q639 PolarHBondContact O-NE2 2.84Å; S630-Q639 PolarHBondContact OG-OE1 2.86Å; Q639-W641 HydrophobicContact CG-CD2 4.4Å; Q639-W641 HydrophobicContact CG-CE3 4.3Å; Q639-W641 HydrophobicContact CG-CH2 3.75Å; Q639-W641 HydrophobicContact CG-CZ2 3.79Å; Q639-W641 HydrophobicContact CG-CZ3 3.96Å |
| 640 | L | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 146.7 | 172.6 | -60.6 | 176 | 0 | 0 | 0 | 109.7 | V30 A35 I581 I599 L604 F611 I629 V631 V638 | V30-L640 HydrophobicContact CG1-CB 3.66Å; V30-L640 HydrophobicContact CG1-CD1 3.9Å; V30-L640 HydrophobicContact CG1-CG 4.35Å; A35-L640 HydrophobicContact CB-CD2 3.72Å; I581-L640 HydrophobicContact CD1-CD1 3.79Å; I599-L640 HydrophobicContact CD1-CD1 4.06Å; L604-L640 HydrophobicContact CD1-CD2 3.84Å; L604-L640 HydrophobicContact CD2-CD2 4.02Å; F611-L640 HydrophobicContact CZ-CD1 4.31Å; I629-L640 HydrophobicContact CB-CB 4.4Å; I629-L640 PolarHBondContact N-O 3.48Å; I629-L640 WeakPolarHBondContact O-CB 3.47Å; I629-L640 PolarHBondContact O-N 2.96Å; V631-L640 HydrophobicContact CG2-CD1 4.2Å; V638-L640 HydrophobicContact CG1-CD2 3.95Å; V638-L640 HydrophobicContact CG1-CG 4.25Å |
| 641 | W | 93.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 18.6 Ų | 18.6 | 19% | 0.193 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.6 | -178.1 | -52.9 | 112.5 | 0 | 0 | 0 | 109.9 | G31 G34 V80 L621 N622 D628 Q639 | G31-W641 WeakPolarHBondContact CA-O 3.11Å; G31-W641 PolarHBondContact N-O 3.18Å; G34-W641 VanDerWaalsContact O-CD1 3.28Å; G34-W641 PolarHBondContact O-NE1 3.21Å; V80-W641 HydrophobicContact CG1-CH2 3.41Å; V80-W641 VanDerWaalsContact CG1-CH2 3.41Å; V80-W641 HydrophobicContact CG1-CZ2 4.27Å; V80-W641 HydrophobicContact CG1-CZ3 4.18Å; L621-W641 HydrophobicContact CB-CZ3 3.93Å; N622-W641 HydrophobicContact CB-CE3 3.82Å; N622-W641 HydrophobicContact CB-CH2 4.37Å; N622-W641 HydrophobicContact CB-CZ3 3.63Å; D628-W641 HydrophobicContact CB-CE3 4.47Å; D628-W641 WeakPolarHBondContact OD1-CA 3.19Å; D628-W641 WeakPolarHBondContact OD2-CZ3 3.34Å; Q639-W641 HydrophobicContact CG-CD2 4.4Å; Q639-W641 HydrophobicContact CG-CE3 4.3Å; Q639-W641 HydrophobicContact CG-CH2 3.75Å; Q639-W641 HydrophobicContact CG-CZ2 3.79Å; Q639-W641 HydrophobicContact CG-CZ3 3.96Å |
| 642 | S | 92.5 | Very high | 94 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 161.7 | 172.6 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | N29 L559 P627 D628 | N29-S642 CarbonylContact O-C 3.56Å; L559-S642 WeakPolarHBondContact CD1-OG 3.12Å; P627-S642 WeakPolarHBondContact O-CB 3.46Å; P627-S642 PolarHBondContact O-OG 3.42Å; D628-S642 PolarHBondContact OD1-N 3.16Å |
| 643 | R | 90 | Very high | 93.7 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | trans | -130.9 | 147.3 | -176.6 | -61.9 | -178.8 | -67.8 | 171.3 | -7.4 | 109.8 | S27 F28 N29 I626 P766 V768 N769 | S27-R643 VanDerWaalsContact C-NH2 3.32Å; S27-R643 PolarHBondContact O-NH2 3.47Å; S27-R643 PolarHBondContact OG-NH2 2.73Å; F28-R643 PolarHBondContact O-NH2 2.88Å; N29-R643 WeakPolarHBondContact O-CB 3.09Å; N29-R643 PolarHBondContact O-N 3.31Å; I626-R643 VanDerWaalsContact CD1-C 3.47Å; R643-P766 PolarHBondContact NH1-O 2.74Å; R643-P766 PolarHBondContact NH2-O 2.6Å; R643-V768 PolarHBondContact NH1-O 3.45Å; R643-N769 HydrophobicContact CB-CB 4.3Å; R643-N769 HydrophobicContact CG-CB 4.2Å | ||
| 644 | G | 89.6 | Confident | 93.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -66.5 | 151.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R687 N769 P770 V771 | G644-R687 CarbonylContact C-O 3.48Å; G644-R687 WeakPolarHBondContact CA-O 3.43Å; G644-N769 PolarHBondContact N-OD1 3.06Å; G644-P770 CarbonylContact O-C 3.53Å; G644-P770 WeakPolarHBondContact O-CA 3.5Å; G644-P770 WeakPolarHBondContact O-CB 3.49Å; G644-V771 PolarHBondContact O-N 2.9Å | ||
| 645 | V | 89.8 | Confident | 93.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.7 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | N29 D560 F686 R687 V771 D773 | N29-V645 WeakPolarHBondContact OD1-CG2 3.34Å; D560-V645 HydrophobicContact CB-CG2 4.25Å; V645-F686 CarbonylContact O-C 3.6Å; V645-F686 WeakPolarHBondContact O-CA 3.47Å; V645-R687 HydrophobicContact CB-CB 4.38Å; V645-R687 PolarHBondContact N-O 2.83Å; V645-R687 PolarHBondContact O-N 2.83Å; V645-V771 CarbonylContact C-O 3.5Å; V645-V771 WeakPolarHBondContact CA-O 3.36Å; V645-V771 HydrophobicContact CG2-CG1 4.4Å; V645-D773 HydrophobicContact CG1-CB 3.51Å |
| 646 | A | 89.8 | Confident | 92.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S685 F686 V695 P770 V771 L772 D773 | A646-S685 CarbonylContact C-O 3.55Å; A646-S685 WeakPolarHBondContact CA-O 3.15Å; A646-F686 HydrophobicContact CB-CD1 3.68Å; A646-F686 HydrophobicContact CB-CE1 3.65Å; A646-V695 HydrophobicContact CB-CB 4.21Å; A646-V695 HydrophobicContact CB-CG1 4.11Å; A646-V695 HydrophobicContact CB-CG2 4.39Å; A646-P770 HydrophobicContact CB-CB 4.06Å; A646-P770 HydrophobicContact CB-CG 4.18Å; A646-V771 PolarHBondContact N-O 2.76Å; A646-L772 HydrophobicContact CB-CD2 4.38Å; A646-L772 WeakPolarHBondContact O-CA 3.42Å; A646-D773 PolarHBondContact O-N 2.95Å |
| 647 | V | 90.2 | Very high | 92 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 16% | 0.164 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 104.5 | 172.7 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | A684 S685 D773 S776 | V647-A684 VanDerWaalsContact O-CA 3.27Å; V647-A684 WeakPolarHBondContact O-CA 3.46Å; V647-S685 PolarHBondContact N-O 2.7Å; V647-S685 PolarHBondContact O-N 2.04Å; V647-D773 HydrophobicContact CG2-CB 3.86Å; V647-S776 WeakPolarHBondContact CG1-OG 3.24Å; V647-S776 WeakPolarHBondContact CG2-OG 3.47Å |
| 648 | V | 91.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.7 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | F682 A684 V695 V697 V732 V761 L772 F780 | V648-F682 HydrophobicContact CG1-CD1 4.36Å; V648-A684 HydrophobicContact CG2-CB 4.11Å; V648-V695 HydrophobicContact CG2-CG1 3.92Å; V648-V697 HydrophobicContact CG2-CG1 4.33Å; V648-V732 HydrophobicContact CG1-CG1 4.46Å; V648-V732 HydrophobicContact CG1-CG2 4.48Å; V648-V761 HydrophobicContact CB-CG1 4.46Å; V648-V761 HydrophobicContact CG1-CG1 4.17Å; V648-V761 HydrophobicContact CG1-CG2 4.48Å; V648-L772 HydrophobicContact CB-CD2 4.28Å; V648-L772 HydrophobicContact CG2-CD2 3.47Å; V648-L772 VanDerWaalsContact CG2-CD2 3.47Å; V648-F780 WeakPolarHBondContact O-CZ 3.44Å |
| 649 | T | 92.7 | Very high | 90.7 | Very high | 55 Ų | 55 | 38.7 Ų | 38.7 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.4 | 172.2 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | F682 S683 | T649-F682 WeakPolarHBondContact O-CA 3.05Å; T649-S683 PolarHBondContact N-O 2.77Å; T649-S683 PolarHBondContact O-N 2.73Å |
| 650 | A | 93.2 | Very high | 89.9 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 145.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | C681 F682 V759 F780 F782 | A650-C681 CarbonylContact C-O 3.45Å; A650-C681 WeakPolarHBondContact CA-O 3.3Å; A650-F682 HydrophobicContact CB-CD1 3.92Å; A650-F682 HydrophobicContact CB-CE1 3.86Å; A650-V759 HydrophobicContact CB-CG1 4.2Å; A650-F780 HydrophobicContact CB-CB 4.36Å; A650-F780 HydrophobicContact CB-CD2 3.59Å; A650-F780 HydrophobicContact CB-CE2 4.01Å; A650-F780 HydrophobicContact CB-CG 3.91Å; A650-F782 HydrophobicContact CB-CZ 4.43Å; A650-F782 WeakPolarHBondContact O-CZ 3.46Å |
| 651 | K | 93.8 | Very high | 89 | Confident | 141 Ų | 141 | 44 Ų | 44 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.9 | 169.9 | -66.5 | -177 | 179.5 | 178.5 | 0 | 108.6 | I680 C681 | K651-I680 CarbonylContact O-C 3.54Å; K651-I680 WeakPolarHBondContact O-CA 3.48Å; K651-C681 PolarHBondContact N-O 2.84Å; K651-C681 PolarHBondContact O-N 2.86Å |
| 652 | A | 92.8 | Very high | 87.9 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V678 N679 I680 L757 F782 | A652-V678 HydrophobicContact CB-CG2 4.14Å; A652-N679 CarbonylContact C-O 3.59Å; A652-N679 VanDerWaalsContact CA-O 3.32Å; A652-N679 WeakPolarHBondContact CA-O 3.35Å; A652-I680 HydrophobicContact CB-CG1 4.36Å; A652-L757 HydrophobicContact CB-CD2 4.43Å; A652-F782 HydrophobicContact CB-CB 4.03Å; A652-F782 HydrophobicContact CB-CD1 3.83Å; A652-F782 HydrophobicContact CB-CD2 3.52Å; A652-F782 HydrophobicContact CB-CE1 4.17Å; A652-F782 HydrophobicContact CB-CE2 3.88Å; A652-F782 HydrophobicContact CB-CG 3.5Å; A652-F782 VanDerWaalsContact CB-CG 3.5Å; A652-F782 HydrophobicContact CB-CZ 4.19Å |
| 653 | S | 93.1 | Very high | 87.2 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.9 | 171.4 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | V678 N679 | S653-V678 CarbonylContact O-C 3.49Å; S653-V678 WeakPolarHBondContact O-CA 3.29Å; S653-N679 PolarHBondContact N-O 3.27Å; S653-N679 PolarHBondContact O-N 3.11Å |
| 654 | F | 93.1 | Very high | 86.6 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.7 | -172.2 | -51.9 | -79.5 | 0 | 0 | 0 | 111 | P656 F676 N677 V678 L757 F782 F783 I784 | F654-P656 CarbonylContact C-O 3.59Å; F654-P656 VanDerWaalsContact C-O 3.27Å; F654-P656 CarbonylContact O-C 3.59Å; F654-F676 AromaticContact CD1-CD2 3.92Å; F654-F676 HydrophobicContact CD1-CD2 3.92Å; F654-F676 AromaticContact CD1-CE2 3.7Å; F654-F676 HydrophobicContact CD1-CE2 3.7Å; F654-F676 HydrophobicContact CE1-CE2 4.1Å; F654-N677 CarbonylContact C-O 3.59Å; F654-N677 WeakPolarHBondContact CA-O 3.43Å; F654-V678 HydrophobicContact CD1-CB 3.85Å; F654-V678 HydrophobicContact CD1-CG2 3.67Å; F654-V678 HydrophobicContact CE1-CB 4.04Å; F654-V678 HydrophobicContact CE1-CG2 3.51Å; F654-V678 HydrophobicContact CZ-CG2 4.43Å; F654-L757 HydrophobicContact CE1-CD2 4.26Å; F654-F782 HydrophobicContact CE2-CB 4.27Å; F654-F782 HydrophobicContact CZ-CB 3.84Å; F654-F783 WeakPolarHBondContact CE2-O 3.27Å; F654-I784 HydrophobicContact CB-CD1 3.73Å; F654-I784 HydrophobicContact CB-CG1 4.17Å; F654-I784 HydrophobicContact CD1-CB 4.03Å; F654-I784 HydrophobicContact CD1-CD1 4.05Å; F654-I784 HydrophobicContact CD1-CG1 4.41Å; F654-I784 HydrophobicContact CD2-CB 4.02Å; F654-I784 HydrophobicContact CD2-CG1 4.35Å; F654-I784 HydrophobicContact CE1-CB 4.14Å; F654-I784 HydrophobicContact CE1-CG2 4.45Å; F654-I784 HydrophobicContact CE2-CB 4.14Å; F654-I784 HydrophobicContact CG-CB 3.96Å; F654-I784 HydrophobicContact CG-CD1 3.92Å; F654-I784 HydrophobicContact CG-CG1 4.07Å; F654-I784 HydrophobicContact CZ-CB 4.19Å |
| 655 | K | 90 | Very high | 86 | Confident | 160 Ų | 160 | 60.8 Ų | 60.8 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 113.6 | 175.5 | -70.6 | -174.2 | -179.8 | 177.8 | 0 | 110.3 | N677 | K655-N677 PolarHBondContact N-O 2.93Å; K655-N677 PolarHBondContact O-N 2.75Å |
| 656 | P | 88 | Confident | 85.6 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | S | Bend | cis | -59.5 | 161.9 | -10.1 | 28.2 | -35.4 | 0 | 0 | 0 | 112 | F654 K658 | F654-P656 CarbonylContact C-O 3.59Å; F654-P656 VanDerWaalsContact C-O 3.27Å; F654-P656 CarbonylContact O-C 3.59Å; P656-K658 WeakPolarHBondContact CG-O 3.22Å; P656-K658 PolarHBondContact O-N 2.99Å |
| 657 | D | 81.4 | Confident | 85 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 60% | 0.599 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -74.6 | -6.3 | 179.2 | 62.6 | -22 | 0 | 0 | 0 | 113.2 | ||
| 658 | K | 82.8 | Confident | 84.3 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 24% | 0.239 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -138.9 | 147.6 | 176.2 | -50.1 | -172.6 | -178.3 | 178.5 | 0 | 111.5 | P656 P785 | P656-K658 WeakPolarHBondContact CG-O 3.22Å; P656-K658 PolarHBondContact O-N 2.99Å; K658-P785 CarbonylContact C-O 3.51Å; K658-P785 WeakPolarHBondContact CA-O 3.46Å; K658-P785 HydrophobicContact CG-CG 4.11Å |
| 659 | I | 84.6 | Confident | 83.2 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -87.6 | 112.7 | 176.1 | -59.4 | 169.1 | 0 | 0 | 0 | 110.1 | I661 F676 V745 L755 I784 P785 F786 T787 | I659-I661 HydrophobicContact CG2-CG2 4.41Å; I659-F676 HydrophobicContact CD1-CD1 4.11Å; I659-F676 HydrophobicContact CD1-CE1 3.87Å; I659-F676 HydrophobicContact CG1-CD1 3.93Å; I659-F676 HydrophobicContact CG1-CE1 4.21Å; I659-V745 HydrophobicContact CD1-CG2 3.96Å; I659-V745 HydrophobicContact CG1-CG2 4.3Å; I659-V745 HydrophobicContact CG2-CB 4.33Å; I659-V745 HydrophobicContact CG2-CG1 4.06Å; I659-V745 HydrophobicContact CG2-CG2 3.83Å; I659-L755 HydrophobicContact CD1-CB 4.04Å; I659-L755 HydrophobicContact CD1-CD1 4.01Å; I659-I784 HydrophobicContact CD1-CD1 4.24Å; I659-I784 HydrophobicContact CD1-CG1 4.35Å; I659-I784 HydrophobicContact CD1-CG2 3.76Å; I659-I784 HydrophobicContact CG1-CD1 3.68Å; I659-I784 HydrophobicContact CG1-CG1 3.99Å; I659-I784 HydrophobicContact CG1-CG2 4.32Å; I659-P785 PolarHBondContact N-O 3.35Å; I659-F786 HydrophobicContact CB-CD1 3.74Å; I659-F786 HydrophobicContact CB-CE1 4.08Å; I659-F786 HydrophobicContact CB-CG 4.31Å; I659-F786 HydrophobicContact CD1-CD1 4.36Å; I659-F786 HydrophobicContact CD1-CE1 4.01Å; I659-F786 HydrophobicContact CD1-CE2 4.45Å; I659-F786 HydrophobicContact CD1-CZ 4.05Å; I659-F786 HydrophobicContact CG2-CD1 3.65Å; I659-F786 HydrophobicContact CG2-CE1 3.7Å; I659-F786 CarbonylContact O-C 3.45Å; I659-F786 WeakPolarHBondContact O-CA 3.46Å; I659-T787 PolarHBondContact O-N 2.82Å; I659-T787 PolarHBondContact O-OG1 3.39Å |
| 660 | N | 80.8 | Confident | 82.1 | Confident | 44 Ų | 44 | 72 Ų | 72 | 24% | 0.235 | 40% | 0.401 | C | S | . | . | trans | -97.9 | 104.5 | 169.9 | -171.5 | -19.1 | 0 | 0 | 0 | 110.6 | L662 N663 S674 T787 | N660-L662 PolarHBondContact O-N 2.84Å; N660-L662 VanDerWaalsContact OD1-CB 3.29Å; N660-L662 WeakPolarHBondContact OD1-CB 3.22Å; N660-L662 PolarHBondContact OD1-N 3.04Å; N660-N663 HydrophobicContact CB-CB 4.09Å; N660-N663 PolarHBondContact O-N 3.49Å; N660-N663 VanDerWaalsContact O-N 3.11Å; N660-N663 PolarHBondContact OD1-N 2.84Å; N660-S674 PolarHBondContact O-OG 3.33Å; N660-T787 WeakPolarHBondContact CA-OG1 3.31Å; N660-T787 WeakPolarHBondContact CB-OG1 3.33Å | ||
| 661 | I | 75.3 | Confident | 81.3 | Confident | 67 Ų | 67 | 80.9 Ų | 80.9 | 34% | 0.344 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.3 | 178.9 | 53.3 | 148.7 | 0 | 0 | 0 | 114.6 | I659 S674 L751 F786 | I659-I661 HydrophobicContact CG2-CG2 4.41Å; I661-S674 WeakPolarHBondContact CA-OG 3.03Å; I661-L751 HydrophobicContact CD1-CD1 3.44Å; I661-L751 VanDerWaalsContact CD1-CD1 3.44Å; I661-L751 HydrophobicContact CD1-CD2 3.95Å; I661-L751 HydrophobicContact CD1-CG 4.35Å; I661-L751 HydrophobicContact CG1-CD1 4.37Å; I661-L751 HydrophobicContact CG1-CD2 4.3Å; I661-L751 HydrophobicContact CG2-CD2 3.67Å; I661-F786 HydrophobicContact CG2-CD1 4.03Å; I661-F786 HydrophobicContact CG2-CE1 4.12Å |
| 662 | L | 71.7 | Confident | 80.7 | Confident | 150 Ų | 150 | 81.6 Ų | 81.6 | 79% | 0.785 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -28 | 176.1 | -57.8 | 174.3 | 0 | 0 | 0 | 111.1 | N660 K664 | N660-L662 PolarHBondContact O-N 2.84Å; N660-L662 VanDerWaalsContact OD1-CB 3.29Å; N660-L662 WeakPolarHBondContact OD1-CB 3.22Å; N660-L662 PolarHBondContact OD1-N 3.04Å; L662-K664 PolarHBondContact O-N 2.82Å |
| 663 | N | 76.4 | Confident | 80.4 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | trans | -85.3 | 96.4 | 174.9 | -169.8 | 14.7 | 0 | 0 | 0 | 109.6 | N660 D665 S674 | N660-N663 HydrophobicContact CB-CB 4.09Å; N660-N663 PolarHBondContact O-N 3.49Å; N660-N663 VanDerWaalsContact O-N 3.11Å; N660-N663 PolarHBondContact OD1-N 2.84Å; N663-D665 PolarHBondContact O-N 2.85Å; N663-S674 WeakPolarHBondContact O-CA 3.27Å; N663-S674 WeakPolarHBondContact O-CB 3.19Å; N663-S674 PolarHBondContact O-OG 2.9Å | ||
| 664 | K | 78.9 | Confident | 80.1 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 38% | 0.378 | 42% | 0.418 | S | S | . | . | trans | -99.1 | 78 | 179.3 | -63.3 | -179.2 | 163.7 | -161.4 | 0 | 110.1 | L662 K672 V673 E747 | L662-K664 PolarHBondContact O-N 2.82Å; K664-K672 HydrophobicContact CB-CB 3.89Å; K664-K672 HydrophobicContact CD-CB 4.46Å; K664-K672 WeakPolarHBondContact CD-O 3.24Å; K664-V673 CarbonylContact C-O 3.58Å; K664-V673 WeakPolarHBondContact CA-O 3.37Å; K664-E747 IonicContact NZ-OE1 2.65Å; K664-E747 PolarHBondContact NZ-OE1 2.9Å | ||
| 665 | D | 77.3 | Confident | 79.9 | Confident | 92 Ų | 92 | 78.2 Ų | 78.2 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | trans | -92 | -8.5 | -170.9 | 60.8 | -26.7 | 0 | 0 | 0 | 114.6 | N663 V673 C675 | N663-D665 PolarHBondContact O-N 2.85Å; D665-V673 PolarHBondContact N-O 2.77Å; D665-C675 PolarHBondContact OD1-N 2.84Å; D665-C675 VanDerWaalsContact OD1-N 3.08Å | ||
| 666 | C | 80.6 | Confident | 79.9 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 14% | 0.142 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 159 | 178.8 | -85.5 | 0 | 0 | 0 | 0 | 113.6 | K672 V673 C675 | C666-K672 CarbonylContact O-C 3.45Å; C666-K672 VanDerWaalsContact O-CA 3.24Å; C666-K672 WeakPolarHBondContact O-CA 3.46Å; C666-V673 HydrophobicContact CB-CG2 4.02Å; C666-V673 PolarHBondContact N-O 2.85Å; C666-V673 PolarHBondContact O-N 3.44Å; C666-C675 HydrophobicContact CB-CB 3.81Å; C666-C675 WeakPolarHBondContact CB-SG 3.36Å; C666-C675 WeakPolarHBondContact SG-CB 3.23Å; C666-C675 CovalentContact SG-SG 2Å; C666-C675 PolarHBondContact SG-SG 3.4Å |
| 667 | D | 77.1 | Confident | 80.2 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.6 | 170.7 | -169.6 | -7.2 | 0 | 0 | 0 | 109.9 | G670 R671 | D667-G670 WeakPolarHBondContact OD1-CA 3.1Å; D667-G670 PolarHBondContact OD1-N 2.55Å; D667-R671 WeakPolarHBondContact CA-O 3.03Å; D667-R671 PolarHBondContact OD1-N 2.98Å |
| 668 | S | 74.6 | Confident | 80.8 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 114.7 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | G670 R671 | S668-G670 PolarHBondContact O-N 3.19Å; S668-R671 PolarHBondContact N-O 3.2Å; S668-R671 PolarHBondContact O-N 2.89Å; S668-R671 VanDerWaalsContact O-N 3.09Å |
| 669 | S | 68.2 | Low | 81.4 | Confident | 115 Ų | 115 | 64 Ų | 64 | 80% | 0.804 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.3 | -178.5 | -54.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 670 | G | 70.2 | Confident | 81.9 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 9.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D667 S668 | D667-G670 WeakPolarHBondContact OD1-CA 3.1Å; D667-G670 PolarHBondContact OD1-N 2.55Å; S668-G670 PolarHBondContact O-N 3.19Å |
| 671 | R | 77.4 | Confident | 82.6 | Confident | 192 Ų | 192 | 62.9 Ų | 62.9 | 73% | 0.725 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132 | 176 | -65.5 | -175.7 | -179.8 | -178.2 | 0.8 | 110.2 | D667 S668 V673 | D667-R671 WeakPolarHBondContact CA-O 3.03Å; D667-R671 PolarHBondContact OD1-N 2.98Å; S668-R671 PolarHBondContact N-O 3.2Å; S668-R671 PolarHBondContact O-N 2.89Å; S668-R671 VanDerWaalsContact O-N 3.09Å; R671-V673 PolarHBondContact O-N 2.83Å |
| 672 | K | 80.8 | Confident | 83.6 | Confident | 156 Ų | 156 | 59.7 Ų | 59.7 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 120 | 170.2 | -69.8 | -160.4 | 174.3 | -167 | 0 | 110.5 | K664 C666 | K664-K672 HydrophobicContact CB-CB 3.89Å; K664-K672 HydrophobicContact CD-CB 4.46Å; K664-K672 WeakPolarHBondContact CD-O 3.24Å; C666-K672 CarbonylContact O-C 3.45Å; C666-K672 VanDerWaalsContact O-CA 3.24Å; C666-K672 WeakPolarHBondContact O-CA 3.46Å |
| 673 | V | 85.3 | Confident | 84.6 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 161.9 | 179.8 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | K664 D665 C666 R671 H744 | K664-V673 CarbonylContact C-O 3.58Å; K664-V673 WeakPolarHBondContact CA-O 3.37Å; D665-V673 PolarHBondContact N-O 2.77Å; C666-V673 HydrophobicContact CB-CG2 4.02Å; C666-V673 PolarHBondContact N-O 2.85Å; C666-V673 PolarHBondContact O-N 3.44Å; R671-V673 PolarHBondContact O-N 2.83Å; V673-H744 HydrophobicContact CG2-CB 4.35Å |
| 674 | S | 86.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 141.9 | 174 | -59 | 0 | 0 | 0 | 0 | 110.6 | N660 I661 N663 V745 | N660-S674 PolarHBondContact O-OG 3.33Å; I661-S674 WeakPolarHBondContact CA-OG 3.03Å; N663-S674 WeakPolarHBondContact O-CA 3.27Å; N663-S674 WeakPolarHBondContact O-CB 3.19Å; N663-S674 PolarHBondContact O-OG 2.9Å; S674-V745 WeakPolarHBondContact O-CB 3.35Å; S674-V745 PolarHBondContact O-N 2.87Å |
| 675 | C | 89.4 | Confident | 85.9 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 159.5 | -179.9 | -92 | 0 | 0 | 0 | 0 | 113.3 | D665 C666 V743 H744 | D665-C675 PolarHBondContact OD1-N 2.84Å; D665-C675 VanDerWaalsContact OD1-N 3.08Å; C666-C675 HydrophobicContact CB-CB 3.81Å; C666-C675 WeakPolarHBondContact CB-SG 3.36Å; C666-C675 WeakPolarHBondContact SG-CB 3.23Å; C666-C675 CovalentContact SG-SG 2Å; C666-C675 PolarHBondContact SG-SG 3.4Å; C675-V743 WeakPolarHBondContact CA-O 3.39Å; C675-H744 PolarHBondContact SG-CD2 2.9Å |
| 676 | F | 91.5 | Very high | 86.5 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.2 | 159 | 64.9 | -86 | 0 | 0 | 0 | 110.7 | F654 I659 V678 V743 V745 L755 I784 | F654-F676 AromaticContact CD1-CD2 3.92Å; F654-F676 HydrophobicContact CD1-CD2 3.92Å; F654-F676 AromaticContact CD1-CE2 3.7Å; F654-F676 HydrophobicContact CD1-CE2 3.7Å; F654-F676 HydrophobicContact CE1-CE2 4.1Å; I659-F676 HydrophobicContact CD1-CD1 4.11Å; I659-F676 HydrophobicContact CD1-CE1 3.87Å; I659-F676 HydrophobicContact CG1-CD1 3.93Å; I659-F676 HydrophobicContact CG1-CE1 4.21Å; F676-V678 HydrophobicContact CE2-CB 4.27Å; F676-V743 HydrophobicContact CD1-CB 4.23Å; F676-V743 HydrophobicContact CD1-CG1 4.49Å; F676-V743 HydrophobicContact CD2-CB 4.45Å; F676-V743 HydrophobicContact CE1-CB 3.7Å; F676-V743 HydrophobicContact CE1-CG1 3.61Å; F676-V743 HydrophobicContact CE2-CB 3.94Å; F676-V743 HydrophobicContact CE2-CG1 4.48Å; F676-V743 HydrophobicContact CE2-CG2 3.98Å; F676-V743 HydrophobicContact CZ-CB 3.54Å; F676-V743 HydrophobicContact CZ-CG1 3.61Å; F676-V743 HydrophobicContact CZ-CG2 3.88Å; F676-V743 PolarHBondContact N-O 2.95Å; F676-V743 PolarHBondContact O-N 3.11Å; F676-V745 HydrophobicContact CD1-CG2 3.95Å; F676-V745 HydrophobicContact CE1-CG2 3.93Å; F676-L755 HydrophobicContact CE1-CD1 4.45Å; F676-L755 HydrophobicContact CZ-CD2 4.19Å; F676-I784 HydrophobicContact CB-CD1 4Å; F676-I784 HydrophobicContact CD1-CD1 3.82Å; F676-I784 HydrophobicContact CD2-CD1 3.54Å; F676-I784 HydrophobicContact CE1-CD1 4.14Å; F676-I784 HydrophobicContact CE1-CG2 4.17Å; F676-I784 HydrophobicContact CE2-CD1 3.89Å; F676-I784 HydrophobicContact CE2-CG2 4.21Å; F676-I784 HydrophobicContact CG-CD1 3.5Å; F676-I784 HydrophobicContact CZ-CD1 4.18Å; F676-I784 HydrophobicContact CZ-CG2 3.82Å |
| 677 | N | 92.4 | Very high | 87 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.6 | 169 | -74.8 | 20.5 | 0 | 0 | 0 | 109.1 | F654 K655 R741 R742 | F654-N677 CarbonylContact C-O 3.59Å; F654-N677 WeakPolarHBondContact CA-O 3.43Å; K655-N677 PolarHBondContact N-O 2.93Å; K655-N677 PolarHBondContact O-N 2.75Å; N677-R741 CarbonylContact C-O 3.35Å; N677-R741 WeakPolarHBondContact CA-O 3.42Å; N677-R742 WeakPolarHBondContact OD1-CG 3.26Å; N677-R742 PolarHBondContact OD1-NE 2.83Å |
| 678 | V | 94.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.1 | 168.3 | 61.6 | 0 | 0 | 0 | 0 | 110 | A652 S653 F654 F676 I680 D740 R741 V743 L757 | A652-V678 HydrophobicContact CB-CG2 4.14Å; S653-V678 CarbonylContact O-C 3.49Å; S653-V678 WeakPolarHBondContact O-CA 3.29Å; F654-V678 HydrophobicContact CD1-CB 3.85Å; F654-V678 HydrophobicContact CD1-CG2 3.67Å; F654-V678 HydrophobicContact CE1-CB 4.04Å; F654-V678 HydrophobicContact CE1-CG2 3.51Å; F654-V678 HydrophobicContact CZ-CG2 4.43Å; F676-V678 HydrophobicContact CE2-CB 4.27Å; V678-I680 HydrophobicContact CG1-CD1 4.36Å; V678-I680 HydrophobicContact CG1-CG1 4.47Å; V678-I680 HydrophobicContact CG2-CD1 4.35Å; V678-I680 HydrophobicContact CG2-CG1 3.8Å; V678-D740 CarbonylContact O-C 3.6Å; V678-D740 WeakPolarHBondContact O-CA 3.24Å; V678-R741 HydrophobicContact CG1-CB 3.95Å; V678-R741 WeakPolarHBondContact CG1-O 3.45Å; V678-R741 PolarHBondContact N-O 2.75Å; V678-R741 PolarHBondContact O-N 2.84Å; V678-V743 HydrophobicContact CG1-CG2 4.37Å; V678-L757 HydrophobicContact CG1-CD2 4.4Å; V678-L757 HydrophobicContact CG2-CD2 3.68Å |
| 679 | N | 95.9 | Very high | 87.6 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 116.4 | 173 | -179.5 | -97.1 | 0 | 0 | 0 | 109 | A652 S653 C681 D740 | A652-N679 CarbonylContact C-O 3.59Å; A652-N679 VanDerWaalsContact CA-O 3.32Å; A652-N679 WeakPolarHBondContact CA-O 3.35Å; S653-N679 PolarHBondContact N-O 3.27Å; S653-N679 PolarHBondContact O-N 3.11Å; N679-C681 PolarHBondContact OD1-SG 2.91Å; N679-D740 WeakPolarHBondContact CA-OD1 3.43Å; N679-D740 WeakPolarHBondContact CB-OD1 3.46Å; N679-D740 PolarHBondContact ND2-OD1 2.78Å |
| 680 | I | 95.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.9 | -174.7 | -50.5 | 172.9 | 0 | 0 | 0 | 108.5 | K651 A652 V678 F682 L701 C738 V739 L757 V759 | K651-I680 CarbonylContact O-C 3.54Å; K651-I680 WeakPolarHBondContact O-CA 3.48Å; A652-I680 HydrophobicContact CB-CG1 4.36Å; V678-I680 HydrophobicContact CG1-CD1 4.36Å; V678-I680 HydrophobicContact CG1-CG1 4.47Å; V678-I680 HydrophobicContact CG2-CD1 4.35Å; V678-I680 HydrophobicContact CG2-CG1 3.8Å; I680-F682 HydrophobicContact CB-CE2 4.31Å; I680-F682 HydrophobicContact CG2-CD2 4.38Å; I680-F682 HydrophobicContact CG2-CE1 4.45Å; I680-F682 HydrophobicContact CG2-CE2 3.61Å; I680-F682 HydrophobicContact CG2-CZ 3.66Å; I680-L701 HydrophobicContact CD1-CD1 3.48Å; I680-L701 VanDerWaalsContact CD1-CD1 3.48Å; I680-L701 HydrophobicContact CD1-CD2 3.48Å; I680-L701 VanDerWaalsContact CD1-CD2 3.48Å; I680-L701 HydrophobicContact CD1-CG 4.14Å; I680-C738 CarbonylContact O-C 3.52Å; I680-C738 WeakPolarHBondContact O-CA 3.33Å; I680-V739 PolarHBondContact N-O 3.04Å; I680-V739 PolarHBondContact O-N 3.35Å; I680-L757 HydrophobicContact CD1-CD2 4.09Å; I680-L757 HydrophobicContact CG1-CD2 4.49Å; I680-V759 HydrophobicContact CG2-CG2 4.49Å |
| 681 | C | 95.4 | Very high | 87.2 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.7 | -177.8 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | A650 K651 N679 S736 Q737 C738 | A650-C681 CarbonylContact C-O 3.45Å; A650-C681 WeakPolarHBondContact CA-O 3.3Å; K651-C681 PolarHBondContact N-O 2.84Å; K651-C681 PolarHBondContact O-N 2.86Å; N679-C681 PolarHBondContact OD1-SG 2.91Å; C681-S736 WeakPolarHBondContact CB-OG 3.44Å; C681-Q737 CarbonylContact C-O 3.5Å; C681-Q737 WeakPolarHBondContact CA-O 3.01Å; C681-C738 HydrophobicContact CB-CB 4.1Å; C681-C738 WeakPolarHBondContact CB-SG 3.4Å; C681-C738 WeakPolarHBondContact SG-CB 3.31Å; C681-C738 CovalentContact SG-SG 2.04Å; C681-C738 PolarHBondContact SG-SG 3.32Å |
| 682 | F | 95.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.7 | 176.1 | -59.7 | -91.1 | 0 | 0 | 0 | 110.4 | V648 T649 A650 I680 Y699 I730 V732 S736 Q737 V759 V761 | V648-F682 HydrophobicContact CG1-CD1 4.36Å; T649-F682 WeakPolarHBondContact O-CA 3.05Å; A650-F682 HydrophobicContact CB-CD1 3.92Å; A650-F682 HydrophobicContact CB-CE1 3.86Å; I680-F682 HydrophobicContact CB-CE2 4.31Å; I680-F682 HydrophobicContact CG2-CD2 4.38Å; I680-F682 HydrophobicContact CG2-CE1 4.45Å; I680-F682 HydrophobicContact CG2-CE2 3.61Å; I680-F682 HydrophobicContact CG2-CZ 3.66Å; F682-Y699 HydrophobicContact CE1-CD1 4.37Å; F682-Y699 HydrophobicContact CE1-CG 4.16Å; F682-Y699 HydrophobicContact CE2-CD1 4.01Å; F682-Y699 HydrophobicContact CE2-CD2 4.44Å; F682-Y699 AromaticContact CE2-CE1 4Å; F682-Y699 HydrophobicContact CE2-CE1 4Å; F682-Y699 HydrophobicContact CE2-CE2 4.45Å; F682-Y699 HydrophobicContact CE2-CG 4.23Å; F682-Y699 AromaticContact CZ-CD1 3.72Å; F682-Y699 HydrophobicContact CZ-CD1 3.72Å; F682-Y699 AromaticContact CZ-CD2 3.82Å; F682-Y699 HydrophobicContact CZ-CD2 3.82Å; F682-Y699 HydrophobicContact CZ-CE1 4.13Å; F682-Y699 HydrophobicContact CZ-CE2 4.25Å; F682-Y699 AromaticContact CZ-CG 3.53Å; F682-Y699 HydrophobicContact CZ-CG 3.53Å; F682-I730 HydrophobicContact CB-CD1 4.4Å; F682-I730 HydrophobicContact CD2-CD1 3.64Å; F682-I730 HydrophobicContact CD2-CG2 4.35Å; F682-I730 HydrophobicContact CE2-CD1 4.31Å; F682-I730 HydrophobicContact CG-CD1 4.31Å; F682-I730 HydrophobicContact CG-CG2 4.46Å; F682-V732 HydrophobicContact CB-CG1 4.05Å; F682-V732 HydrophobicContact CB-CG2 3.83Å; F682-S736 CarbonylContact O-C 3.59Å; F682-S736 WeakPolarHBondContact O-CA 3.32Å; F682-Q737 PolarHBondContact N-O 3.28Å; F682-Q737 PolarHBondContact O-N 2.85Å; F682-V759 HydrophobicContact CE1-CG1 3.85Å; F682-V759 HydrophobicContact CZ-CG1 3.94Å; F682-V761 HydrophobicContact CD1-CG2 4.44Å; F682-V761 HydrophobicContact CE1-CG2 4Å |
| 683 | S | 93.7 | Very high | 86.4 | Confident | 34 Ų | 34 | 38.5 Ų | 38.5 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 148.7 | 173.1 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | T649 | T649-S683 PolarHBondContact N-O 2.77Å; T649-S683 PolarHBondContact O-N 2.73Å |
| 684 | A | 91.9 | Very high | 86.5 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V647 V648 F686 V695 V732 S733 S734 | V647-A684 VanDerWaalsContact O-CA 3.27Å; V647-A684 WeakPolarHBondContact O-CA 3.46Å; V648-A684 HydrophobicContact CG2-CB 4.11Å; A684-F686 HydrophobicContact CB-CE1 4.07Å; A684-F686 HydrophobicContact CB-CE2 3.82Å; A684-F686 HydrophobicContact CB-CZ 3.52Å; A684-V695 HydrophobicContact CB-CG1 4.44Å; A684-V732 HydrophobicContact CB-CB 4.44Å; A684-V732 HydrophobicContact CB-CG1 3.72Å; A684-S733 PolarHBondContact N-O 2.8Å; A684-S734 VanDerWaalsContact O-CA 3.3Å; A684-S734 WeakPolarHBondContact O-CA 3.25Å |
| 685 | S | 91 | Very high | 86.6 | Confident | 70 Ų | 70 | 40.1 Ų | 40.1 | 49% | 0.49 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.5 | 160.7 | 59.2 | 0 | 0 | 0 | 0 | 109.8 | A646 V647 | A646-S685 CarbonylContact C-O 3.55Å; A646-S685 WeakPolarHBondContact CA-O 3.15Å; V647-S685 PolarHBondContact N-O 2.7Å; V647-S685 PolarHBondContact O-N 2.04Å |
| 686 | F | 89.9 | Confident | 86.7 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 145.9 | -173.8 | -58.3 | -83.7 | 0 | 0 | 0 | 111.6 | V645 A646 A684 P688 V692 G693 V695 P770 | V645-F686 CarbonylContact O-C 3.6Å; V645-F686 WeakPolarHBondContact O-CA 3.47Å; A646-F686 HydrophobicContact CB-CD1 3.68Å; A646-F686 HydrophobicContact CB-CE1 3.65Å; A684-F686 HydrophobicContact CB-CE1 4.07Å; A684-F686 HydrophobicContact CB-CE2 3.82Å; A684-F686 HydrophobicContact CB-CZ 3.52Å; F686-P688 CarbonylContact C-O 3.08Å; F686-V692 HydrophobicContact CB-CB 4.01Å; F686-V692 HydrophobicContact CB-CG1 4.2Å; F686-V692 VanDerWaalsContact CB-O 3.32Å; F686-V692 WeakPolarHBondContact CB-O 3.42Å; F686-V692 HydrophobicContact CD1-CG1 3.97Å; F686-V692 WeakPolarHBondContact CD1-O 3.35Å; F686-V692 VanDerWaalsContact CD2-O 3.25Å; F686-V692 WeakPolarHBondContact CD2-O 3.07Å; F686-V692 HydrophobicContact CG-CG1 4.43Å; F686-V692 WeakPolarHBondContact CG-O 3.37Å; F686-G693 VanDerWaalsContact CE1-CA 3.49Å; F686-V695 HydrophobicContact CE1-CB 4.25Å; F686-V695 HydrophobicContact CE1-CG1 4.23Å; F686-V695 HydrophobicContact CZ-CG1 4.48Å; F686-P770 HydrophobicContact CD1-CB 4.4Å; F686-P770 HydrophobicContact CD1-CG 3.93Å; F686-P770 HydrophobicContact CE1-CG 3.8Å |
| 687 | R | 89.4 | Confident | 86.7 | Confident | 56 Ų | 56 | 42.2 Ų | 42.2 | 21% | 0.211 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 118.9 | 176.6 | -70.3 | -178.3 | -78 | 172.1 | -2.9 | 108.9 | D560 L561 G644 V645 D773 | D560-R687 PolarHBondContact O-NH1 3.16Å; L561-R687 HydrophobicContact CB-CB 4.12Å; L561-R687 HydrophobicContact CD1-CB 4.29Å; L561-R687 VanDerWaalsContact O-CD 3.31Å; L561-R687 WeakPolarHBondContact O-CD 2.89Å; G644-R687 CarbonylContact C-O 3.48Å; G644-R687 WeakPolarHBondContact CA-O 3.43Å; V645-R687 HydrophobicContact CB-CB 4.38Å; V645-R687 PolarHBondContact N-O 2.83Å; V645-R687 PolarHBondContact O-N 2.83Å; R687-D773 IonicContact NH2-OD2 2.82Å; R687-D773 PolarHBondContact NH2-OD2 3.02Å |
| 688 | P | 85.7 | Confident | 86.8 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | S | Bend | cis | -67.3 | 165.3 | -5.3 | 27.8 | -36.3 | 0 | 0 | 0 | 112.8 | L561 T625 I626 F686 N690 V692 | L561-P688 HydrophobicContact CD1-CB 3.78Å; L561-P688 HydrophobicContact CD1-CG 4.23Å; T625-P688 VanDerWaalsContact OG1-CB 3.3Å; T625-P688 WeakPolarHBondContact OG1-CB 3.37Å; T625-P688 WeakPolarHBondContact OG1-CG 3.25Å; I626-P688 HydrophobicContact CD1-CG 4.36Å; I626-P688 HydrophobicContact CG1-CG 4.24Å; F686-P688 CarbonylContact C-O 3.08Å; P688-N690 PolarHBondContact O-N 3.32Å; P688-V692 HydrophobicContact CG-CG2 3.79Å; P688-V692 WeakPolarHBondContact O-CB 3.49Å; P688-V692 WeakPolarHBondContact O-CG2 3.4Å |
| 689 | T | 80.2 | Confident | 86.8 | Confident | 119 Ų | 119 | 40.2 Ų | 40.2 | 73% | 0.73 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -76.5 | -18.8 | -173.2 | 44.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 690 | N | 70.3 | Confident | 86.7 | Confident | 141 Ų | 141 | 39.5 Ų | 39.5 | 75% | 0.754 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -149.6 | 123.2 | 178.8 | -87.5 | -31.7 | 0 | 0 | 0 | 112.8 | P688 | P688-N690 PolarHBondContact O-N 3.32Š|
| 691 | P | 60.2 | Low | 86.7 | Confident | 122 Ų | 122 | 39.4 Ų | 39.4 | 79% | 0.792 | 24% | 0.243 | S | C | * | . | S | Bend | cis | -97.6 | 119.3 | -14.8 | 33.8 | -21.6 | 0 | 0 | 0 | 110.2 | ||
| 692 | V | 67.8 | Low | 86.6 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | trans | -140.7 | 127.2 | 165.7 | -176 | 0 | 0 | 0 | 0 | 109.6 | F686 P688 P770 | F686-V692 HydrophobicContact CB-CB 4.01Å; F686-V692 HydrophobicContact CB-CG1 4.2Å; F686-V692 VanDerWaalsContact CB-O 3.32Å; F686-V692 WeakPolarHBondContact CB-O 3.42Å; F686-V692 HydrophobicContact CD1-CG1 3.97Å; F686-V692 WeakPolarHBondContact CD1-O 3.35Å; F686-V692 VanDerWaalsContact CD2-O 3.25Å; F686-V692 WeakPolarHBondContact CD2-O 3.07Å; F686-V692 HydrophobicContact CG-CG1 4.43Å; F686-V692 WeakPolarHBondContact CG-O 3.37Å; P688-V692 HydrophobicContact CG-CG2 3.79Å; P688-V692 WeakPolarHBondContact O-CB 3.49Å; P688-V692 WeakPolarHBondContact O-CG2 3.4Å; V692-P770 HydrophobicContact CG1-CB 3.36Å; V692-P770 HydrophobicContact CG1-CG 3.61Å | ||
| 693 | G | 71.9 | Confident | 86.4 | Confident | 39 Ų | 39 | 38.7 Ų | 38.7 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | trans | 119.5 | 159.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F686 | F686-G693 VanDerWaalsContact CE1-CA 3.49Š| ||
| 694 | P | 88.3 | Confident | 86.2 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 40% | 0.403 | 23% | 0.227 | S | C | . | . | cis | -77.8 | 163.1 | 0.9 | 33.2 | -36.2 | 0 | 0 | 0 | 113.5 | K731 V732 | P694-K731 HydrophobicContact CB-CD 4.19Å; P694-K731 HydrophobicContact CB-CG 3.55Å; P694-K731 HydrophobicContact CG-CD 3.59Å; P694-K731 HydrophobicContact CG-CG 3.55Å; P694-V732 CarbonylContact C-O 3.51Å; P694-V732 VanDerWaalsContact CA-O 3.27Å; P694-V732 WeakPolarHBondContact CA-O 3.35Å; P694-V732 VanDerWaalsContact CB-O 3.27Å; P694-V732 WeakPolarHBondContact CB-O 2.98Å | ||
| 695 | V | 89.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133 | 177.4 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | A646 V648 A684 F686 V697 K731 V732 P770 L772 | A646-V695 HydrophobicContact CB-CB 4.21Å; A646-V695 HydrophobicContact CB-CG1 4.11Å; A646-V695 HydrophobicContact CB-CG2 4.39Å; V648-V695 HydrophobicContact CG2-CG1 3.92Å; A684-V695 HydrophobicContact CB-CG1 4.44Å; F686-V695 HydrophobicContact CE1-CB 4.25Å; F686-V695 HydrophobicContact CE1-CG1 4.23Å; F686-V695 HydrophobicContact CZ-CG1 4.48Å; V695-V697 HydrophobicContact CG1-CG1 4.07Å; V695-V697 HydrophobicContact CG2-CG1 4.06Å; V695-K731 CarbonylContact O-C 3.57Å; V695-K731 WeakPolarHBondContact O-CA 3.39Å; V695-V732 HydrophobicContact CG1-CB 3.99Å; V695-V732 PolarHBondContact N-O 2.72Å; V695-V732 PolarHBondContact O-N 2.94Å; V695-P770 HydrophobicContact CB-CG 4Å; V695-P770 HydrophobicContact CG2-CG 4.35Å; V695-L772 HydrophobicContact CG2-CD2 4.3Å |
| 696 | D | 91.1 | Very high | 84.7 | Confident | 56 Ų | 56 | 39.4 Ų | 39.4 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.8 | 175.2 | -71.6 | -48.7 | 0 | 0 | 0 | 110.4 | K731 E764 | D696-K731 WeakPolarHBondContact OD1-CB 3.46Å; D696-K731 WeakPolarHBondContact OD1-CE 3.29Å; D696-K731 IonicContact OD1-NZ 2.63Å; D696-K731 IonicContact OD2-NZ 2.74Å; D696-E764 HydrophobicContact CB-CB 4.35Å; D696-E764 PolarHBondContact O-N 2.92Å; D696-E764 VanDerWaalsContact O-N 3.15Å |
| 697 | V | 91.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.3 | -179.9 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | V648 V695 K729 I730 V732 V761 E762 L772 | V648-V697 HydrophobicContact CG2-CG1 4.33Å; V695-V697 HydrophobicContact CG1-CG1 4.07Å; V695-V697 HydrophobicContact CG2-CG1 4.06Å; V697-K729 WeakPolarHBondContact O-CA 3.45Å; V697-I730 HydrophobicContact CG2-CG2 3.55Å; V697-I730 PolarHBondContact N-O 3.12Å; V697-I730 PolarHBondContact O-N 3.23Å; V697-I730 VanDerWaalsContact O-O 3.09Å; V697-V732 HydrophobicContact CG2-CG2 3.63Å; V697-V761 HydrophobicContact CB-CG1 3.85Å; V697-V761 HydrophobicContact CG1-CG1 4.09Å; V697-V761 HydrophobicContact CG2-CG1 3.96Å; V697-E762 CarbonylContact C-O 3.56Å; V697-E762 WeakPolarHBondContact CA-O 3.34Å; V697-E762 WeakPolarHBondContact CB-O 3.23Å; V697-L772 HydrophobicContact CG1-CD1 4.15Å; V697-L772 HydrophobicContact CG1-CD2 4.04Å; V697-L772 HydrophobicContact CG1-CG 4.4Å |
| 698 | S | 94.1 | Very high | 82.5 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.9 | 162.5 | 70.6 | 0 | 0 | 0 | 0 | 109.4 | K727 E728 E762 | S698-K727 WeakPolarHBondContact OG-CE 3.45Å; S698-E728 CarbonylContact C-O 3.55Å; S698-E728 WeakPolarHBondContact CA-O 3.48Å; S698-E728 WeakPolarHBondContact CB-O 3.27Å; S698-E762 PolarHBondContact N-O 3.44Å; S698-E762 PolarHBondContact O-N 3.29Å; S698-E762 VanDerWaalsContact O-O 3.07Å |
| 699 | Y | 94.1 | Very high | 81.2 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.3 | 174.2 | 65.9 | -89.8 | 0 | 0 | 0 | 111.1 | F682 L701 K727 E728 I730 E760 | F682-Y699 HydrophobicContact CE1-CD1 4.37Å; F682-Y699 HydrophobicContact CE1-CG 4.16Å; F682-Y699 HydrophobicContact CE2-CD1 4.01Å; F682-Y699 HydrophobicContact CE2-CD2 4.44Å; F682-Y699 AromaticContact CE2-CE1 4Å; F682-Y699 HydrophobicContact CE2-CE1 4Å; F682-Y699 HydrophobicContact CE2-CE2 4.45Å; F682-Y699 HydrophobicContact CE2-CG 4.23Å; F682-Y699 AromaticContact CZ-CD1 3.72Å; F682-Y699 HydrophobicContact CZ-CD1 3.72Å; F682-Y699 AromaticContact CZ-CD2 3.82Å; F682-Y699 HydrophobicContact CZ-CD2 3.82Å; F682-Y699 HydrophobicContact CZ-CE1 4.13Å; F682-Y699 HydrophobicContact CZ-CE2 4.25Å; F682-Y699 AromaticContact CZ-CG 3.53Å; F682-Y699 HydrophobicContact CZ-CG 3.53Å; Y699-L701 HydrophobicContact CD2-CD2 3.64Å; Y699-L701 HydrophobicContact CD2-CG 3.84Å; Y699-L701 HydrophobicContact CE2-CD1 4.01Å; Y699-L701 HydrophobicContact CE2-CD2 3.92Å; Y699-L701 HydrophobicContact CE2-CG 3.82Å; Y699-K727 WeakPolarHBondContact O-CA 3.47Å; Y699-E728 HydrophobicContact CE1-CB 3.94Å; Y699-E728 HydrophobicContact CE2-CB 3.99Å; Y699-E728 PolarHBondContact N-O 2.78Å; Y699-E728 PolarHBondContact O-N 2.89Å; Y699-E728 WeakPolarHBondContact OH-CB 3.33Å; Y699-E728 PolarHBondContact OH-OE2 2.79Å; Y699-I730 HydrophobicContact CD1-CB 4.28Å; Y699-I730 HydrophobicContact CD1-CG2 3.61Å; Y699-I730 HydrophobicContact CE1-CB 3.95Å; Y699-I730 HydrophobicContact CE1-CG2 3.78Å; Y699-E760 CarbonylContact C-O 3.54Å; Y699-E760 WeakPolarHBondContact CA-O 3.38Å |
| 700 | T | 95.2 | Very high | 80.1 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.4 | 176.1 | -53.2 | 0 | 0 | 0 | 0 | 108.9 | L726 V759 E760 | T700-L726 CarbonylContact C-O 3.51Å; T700-L726 WeakPolarHBondContact CA-O 3.48Å; T700-V759 CarbonylContact O-C 3.52Å; T700-V759 WeakPolarHBondContact O-CA 3.49Å; T700-E760 PolarHBondContact N-O 2.68Å; T700-E760 PolarHBondContact O-N 3.44Å |
| 701 | L | 94.4 | Very high | 80 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131.9 | 172.2 | -52.7 | -176.7 | 0 | 0 | 0 | 108.7 | I680 Y699 F718 Y725 L726 R741 L757 K758 V759 | I680-L701 HydrophobicContact CD1-CD1 3.48Å; I680-L701 VanDerWaalsContact CD1-CD1 3.48Å; I680-L701 HydrophobicContact CD1-CD2 3.48Å; I680-L701 VanDerWaalsContact CD1-CD2 3.48Å; I680-L701 HydrophobicContact CD1-CG 4.14Å; Y699-L701 HydrophobicContact CD2-CD2 3.64Å; Y699-L701 HydrophobicContact CD2-CG 3.84Å; Y699-L701 HydrophobicContact CE2-CD1 4.01Å; Y699-L701 HydrophobicContact CE2-CD2 3.92Å; Y699-L701 HydrophobicContact CE2-CG 3.82Å; L701-F718 HydrophobicContact CB-CE1 4.31Å; L701-F718 HydrophobicContact CB-CE2 3.93Å; L701-F718 HydrophobicContact CB-CZ 3.51Å; L701-F718 HydrophobicContact CD1-CE1 4.06Å; L701-F718 HydrophobicContact CD1-CZ 4.1Å; L701-F718 HydrophobicContact CG-CZ 4.47Å; L701-Y725 CarbonylContact O-C 3.56Å; L701-Y725 WeakPolarHBondContact O-CA 3.23Å; L701-Y725 WeakPolarHBondContact O-CB 3.31Å; L701-L726 HydrophobicContact CB-CB 4.37Å; L701-L726 HydrophobicContact CD1-CD2 4.34Å; L701-L726 PolarHBondContact N-O 2.74Å; L701-L726 PolarHBondContact O-N 3.05Å; L701-R741 HydrophobicContact CD1-CG 4.24Å; L701-L757 HydrophobicContact CB-CD1 4.06Å; L701-K758 CarbonylContact C-O 3.56Å; L701-K758 WeakPolarHBondContact CA-O 3.42Å; L701-V759 HydrophobicContact CD2-CB 4.2Å; L701-V759 HydrophobicContact CD2-CG1 3.93Å; L701-V759 HydrophobicContact CD2-CG2 3.68Å |
| 702 | T | 93.5 | Very high | 80.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 125.3 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | A705 K758 | T702-A705 HydrophobicContact CG2-CB 3.79Å; T702-K758 PolarHBondContact N-O 2.92Å; T702-K758 PolarHBondContact O-N 2.72Å |
| 703 | L | 91.8 | Very high | 80.9 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.6 | 175.1 | -57.8 | 166.8 | 0 | 0 | 0 | 110.7 | A705 S714 G716 F718 R724 V743 L755 S756 L757 | L703-A705 VanDerWaalsContact C-N 3.31Å; L703-A705 PolarHBondContact O-N 3.48Å; L703-S714 PolarHBondContact O-OG 3.37Å; L703-G716 VanDerWaalsContact CD1-C 3.45Å; L703-F718 HydrophobicContact CD1-CD1 4.41Å; L703-F718 HydrophobicContact CD1-CD2 3.98Å; L703-F718 HydrophobicContact CD1-CE1 4.2Å; L703-F718 HydrophobicContact CD1-CE2 3.77Å; L703-F718 HydrophobicContact CD1-CG 4.29Å; L703-F718 HydrophobicContact CD1-CZ 3.87Å; L703-F718 HydrophobicContact CD2-CE1 4.32Å; L703-F718 HydrophobicContact CD2-CE2 4.41Å; L703-F718 HydrophobicContact CD2-CZ 3.85Å; L703-F718 HydrophobicContact CG-CD2 4.38Å; L703-F718 HydrophobicContact CG-CE1 4.33Å; L703-F718 HydrophobicContact CG-CE2 3.67Å; L703-F718 HydrophobicContact CG-CZ 3.63Å; L703-R724 PolarHBondContact N-O 3.12Å; L703-R724 PolarHBondContact O-NE 3.43Å; L703-R724 PolarHBondContact O-NH2 3.32Å; L703-V743 HydrophobicContact CD1-CG1 3.59Å; L703-V743 HydrophobicContact CD1-CG2 4.17Å; L703-V743 HydrophobicContact CD2-CG1 4.47Å; L703-V743 HydrophobicContact CD2-CG2 4.41Å; L703-L755 HydrophobicContact CB-CD2 4.45Å; L703-L755 HydrophobicContact CD2-CD2 3.79Å; L703-S756 CarbonylContact C-O 3.52Å; L703-S756 VanDerWaalsContact CA-O 3.25Å; L703-S756 WeakPolarHBondContact CA-O 3.36Å; L703-L757 HydrophobicContact CD2-CB 4.27Å; L703-L757 HydrophobicContact CD2-CD1 3.82Å |
| 704 | D | 87.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 44.7 | -176 | -72.2 | -24.6 | 0 | 0 | 0 | 113.1 | D706 L707 R715 R724 S756 | D704-D706 PolarHBondContact O-N 2.65Å; D704-D706 VanDerWaalsContact O-N 3.09Å; D704-L707 HydrophobicContact CB-CB 4.23Å; D704-L707 HydrophobicContact CB-CD1 3.98Å; D704-L707 HydrophobicContact CB-CG 4.19Å; D704-L707 PolarHBondContact O-N 3.18Å; D704-R715 IonicContact OD1-CZ 3.11Å; D704-R715 IonicContact OD1-NE 2.81Å; D704-R715 PolarHBondContact OD1-NE 2.77Å; D704-R715 IonicContact OD1-NH2 3.97Å; D704-R715 PolarHBondContact OD1-NH2 2.84Å; D704-R715 VanDerWaalsContact OD2-CB 3.28Å; D704-R715 WeakPolarHBondContact OD2-CB 3.38Å; D704-R715 WeakPolarHBondContact OD2-CG 3.13Å; D704-R715 IonicContact OD2-CZ 2.74Å; D704-R715 PolarHBondContact OD2-N 2.87Å; D704-R715 IonicContact OD2-NE 3.97Å; D704-R715 PolarHBondContact OD2-NE 2.89Å; D704-R715 IonicContact OD2-NH2 2.77Å; D704-R724 VanDerWaalsContact C-NH2 3.27Å; D704-R724 PolarHBondContact O-NH2 2.84Å; D704-S756 WeakPolarHBondContact CA-OG 3.44Å; D704-S756 PolarHBondContact N-O 3.05Å; D704-S756 PolarHBondContact N-OG 2.77Å; D704-S756 PolarHBondContact OD1-N 2.82Å |
| 705 | A | 80.4 | Confident | 81.7 | Confident | 21 Ų | 21 | 49 Ų | 49 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -56.2 | -31.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T702 L703 L707 K708 S756 K758 | T702-A705 HydrophobicContact CG2-CB 3.79Å; L703-A705 VanDerWaalsContact C-N 3.31Å; L703-A705 PolarHBondContact O-N 3.48Å; A705-L707 VanDerWaalsContact C-N 3.32Å; A705-L707 PolarHBondContact O-N 3.5Å; A705-K708 WeakPolarHBondContact O-CB 3.35Å; A705-K708 PolarHBondContact O-N 2.89Å; A705-S756 PolarHBondContact N-OG 3.01Å; A705-K758 HydrophobicContact CB-CB 3.75Å; A705-K758 HydrophobicContact CB-CD 3.88Å; A705-K758 HydrophobicContact CB-CG 4.44Å |
| 706 | D | 71.1 | Confident | 81.7 | Confident | 105 Ų | 105 | 48.8 Ų | 48.8 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -62.3 | -32.8 | 173.3 | 61.6 | -46.1 | 0 | 0 | 0 | 113.4 | D704 K708 S756 | D704-D706 PolarHBondContact O-N 2.65Å; D704-D706 VanDerWaalsContact O-N 3.09Å; D706-K708 VanDerWaalsContact C-N 3.28Å; D706-K708 PolarHBondContact O-N 3.3Å; D706-S756 PolarHBondContact OD1-OG 2.88Å |
| 707 | L | 70.5 | Confident | 81.7 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -82.8 | 0.7 | 177.4 | -56.5 | -177.3 | 0 | 0 | 0 | 113.3 | D704 A705 G709 S710 V712 | D704-L707 HydrophobicContact CB-CB 4.23Å; D704-L707 HydrophobicContact CB-CD1 3.98Å; D704-L707 HydrophobicContact CB-CG 4.19Å; D704-L707 PolarHBondContact O-N 3.18Å; A705-L707 VanDerWaalsContact C-N 3.32Å; A705-L707 PolarHBondContact O-N 3.5Å; L707-G709 VanDerWaalsContact C-N 3.31Å; L707-G709 PolarHBondContact O-N 3.43Å; L707-S710 PolarHBondContact O-N 2.78Å; L707-S710 VanDerWaalsContact O-N 3.15Å; L707-V712 HydrophobicContact CD1-CG1 4.39Å |
| 708 | K | 62.4 | Low | 81.7 | Confident | 149 Ų | 149 | 48.6 Ų | 48.6 | 65% | 0.648 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -64.2 | -30.6 | -178 | -170.9 | 177.3 | 180 | 178.6 | 0 | 113.6 | A705 D706 | A705-K708 WeakPolarHBondContact O-CB 3.35Å; A705-K708 PolarHBondContact O-N 2.89Å; D706-K708 VanDerWaalsContact C-N 3.28Å; D706-K708 PolarHBondContact O-N 3.3Å |
| 709 | G | 58.3 | Low | 81.5 | Confident | 83 Ų | 83 | 52 Ų | 52 | 86% | 0.856 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -81.4 | -14 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L707 | L707-G709 VanDerWaalsContact C-N 3.31Å; L707-G709 PolarHBondContact O-N 3.43Å |
| 710 | S | 59 | Low | 81.3 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 149.7 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | L707 V712 | L707-S710 PolarHBondContact O-N 2.78Å; L707-S710 VanDerWaalsContact O-N 3.15Å; S710-V712 PolarHBondContact O-N 3.31Å |
| 711 | R | 66.4 | Low | 81 | Confident | 266 Ų | 266 | 58.5 Ų | 58.5 | 100% | 1.004 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 22.8 | 174.2 | -65.2 | -175.6 | -179.7 | -179.8 | -0 | 113.3 | ||
| 712 | V | 73 | Confident | 80.7 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 130.6 | -173.2 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | L707 S710 | L707-V712 HydrophobicContact CD1-CG1 4.39Å; S710-V712 PolarHBondContact O-N 3.31Å |
| 713 | T | 75.6 | Confident | 80.5 | Confident | 106 Ų | 106 | 66 Ų | 66 | 65% | 0.65 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 137.3 | 172.4 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | ||
| 714 | S | 85.8 | Confident | 80.4 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 144 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | L703 G716 Q746 | L703-S714 PolarHBondContact O-OG 3.37Å; S714-G716 WeakPolarHBondContact CB-O 3.15Å; S714-G716 PolarHBondContact O-N 2.86Å; S714-G716 PolarHBondContact OG-N 2.69Å; S714-G716 PolarHBondContact OG-O 2.8Å; S714-G716 VanDerWaalsContact OG-O 3.07Å; S714-Q746 PolarHBondContact O-NE2 2.89Å |
| 715 | R | 89.7 | Confident | 80.6 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 5% | 0.045 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -75.8 | -13.1 | 176.5 | -60.2 | 170.9 | -69.6 | 169.4 | 1.7 | 112.2 | D704 V745 Q746 T748 D750 N753 S754 L755 | D704-R715 IonicContact OD1-CZ 3.11Å; D704-R715 IonicContact OD1-NE 2.81Å; D704-R715 PolarHBondContact OD1-NE 2.77Å; D704-R715 IonicContact OD1-NH2 3.97Å; D704-R715 PolarHBondContact OD1-NH2 2.84Å; D704-R715 VanDerWaalsContact OD2-CB 3.28Å; D704-R715 WeakPolarHBondContact OD2-CB 3.38Å; D704-R715 WeakPolarHBondContact OD2-CG 3.13Å; D704-R715 IonicContact OD2-CZ 2.74Å; D704-R715 PolarHBondContact OD2-N 2.87Å; D704-R715 IonicContact OD2-NE 3.97Å; D704-R715 PolarHBondContact OD2-NE 2.89Å; D704-R715 IonicContact OD2-NH2 2.77Å; R715-V745 CarbonylContact O-C 3.44Å; R715-V745 WeakPolarHBondContact O-CA 3.32Å; R715-Q746 PolarHBondContact O-N 2.89Å; R715-T748 HydrophobicContact CB-CG2 4.31Å; R715-T748 WeakPolarHBondContact CD-OG1 3.25Å; R715-T748 HydrophobicContact CG-CG2 4.03Å; R715-D750 IonicContact NH1-OD2 2.78Å; R715-D750 PolarHBondContact NH1-OD2 3Å; R715-N753 PolarHBondContact NH1-O 2.91Å; R715-S754 PolarHBondContact NH2-O 2.81Å; R715-L755 HydrophobicContact CB-CD1 4.16Å |
| 716 | G | 89.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L703 S714 H744 | L703-G716 VanDerWaalsContact CD1-C 3.45Å; S714-G716 WeakPolarHBondContact CB-O 3.15Å; S714-G716 PolarHBondContact O-N 2.86Å; S714-G716 PolarHBondContact OG-N 2.69Å; S714-G716 PolarHBondContact OG-O 2.8Å; S714-G716 VanDerWaalsContact OG-O 3.07Å; G716-H744 CarbonylContact C-O 3.56Å; G716-H744 VanDerWaalsContact CA-O 3.28Å; G716-H744 WeakPolarHBondContact CA-O 3.46Å |
| 717 | Q | 91.6 | Very high | 82.3 | Confident | 52 Ų | 52 | 74 Ų | 74 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.9 | 172.2 | -76.4 | 172.2 | -19.8 | 0 | 0 | 110.3 | N722 E723 V743 H744 Q746 | Q717-N722 VanDerWaalsContact CD-O 3.23Å; Q717-N722 PolarHBondContact NE2-O 2.72Å; Q717-E723 WeakPolarHBondContact CA-O 2.99Å; Q717-V743 CarbonylContact O-C 3.51Å; Q717-V743 WeakPolarHBondContact O-CA 3.27Å; Q717-H744 PolarHBondContact N-O 2.91Å; Q717-H744 PolarHBondContact O-N 3.26Å; Q717-Q746 VanDerWaalsContact NE2-NE2 3.13Å |
| 718 | F | 92.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131.6 | 173.7 | -67.5 | -73 | 0 | 0 | 0 | 110.1 | L701 L703 V720 N721 N722 E723 L726 R741 V743 L757 | L701-F718 HydrophobicContact CB-CE1 4.31Å; L701-F718 HydrophobicContact CB-CE2 3.93Å; L701-F718 HydrophobicContact CB-CZ 3.51Å; L701-F718 HydrophobicContact CD1-CE1 4.06Å; L701-F718 HydrophobicContact CD1-CZ 4.1Å; L701-F718 HydrophobicContact CG-CZ 4.47Å; L703-F718 HydrophobicContact CD1-CD1 4.41Å; L703-F718 HydrophobicContact CD1-CD2 3.98Å; L703-F718 HydrophobicContact CD1-CE1 4.2Å; L703-F718 HydrophobicContact CD1-CE2 3.77Å; L703-F718 HydrophobicContact CD1-CG 4.29Å; L703-F718 HydrophobicContact CD1-CZ 3.87Å; L703-F718 HydrophobicContact CD2-CE1 4.32Å; L703-F718 HydrophobicContact CD2-CE2 4.41Å; L703-F718 HydrophobicContact CD2-CZ 3.85Å; L703-F718 HydrophobicContact CG-CD2 4.38Å; L703-F718 HydrophobicContact CG-CE1 4.33Å; L703-F718 HydrophobicContact CG-CE2 3.67Å; L703-F718 HydrophobicContact CG-CZ 3.63Å; F718-V720 PolarHBondContact O-N 3.48Å; F718-V720 VanDerWaalsContact O-N 3.14Å; F718-N721 PolarHBondContact O-N 2.63Å; F718-N721 PolarHBondContact O-OD1 2.78Å; F718-N722 VanDerWaalsContact O-CA 3.26Å; F718-N722 WeakPolarHBondContact O-CA 3.41Å; F718-N722 PolarHBondContact O-N 3.11Å; F718-E723 PolarHBondContact N-O 2.9Å; F718-L726 HydrophobicContact CD2-CB 3.85Å; F718-L726 HydrophobicContact CE2-CB 4.11Å; F718-L726 HydrophobicContact CG-CB 4.22Å; F718-R741 HydrophobicContact CD1-CB 4.36Å; F718-V743 HydrophobicContact CD1-CG2 3.76Å; F718-V743 HydrophobicContact CE1-CG2 3.81Å; F718-L757 HydrophobicContact CZ-CD1 3.89Å |
| 719 | E | 89.3 | Confident | 84.9 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.8 | -179.6 | 178.3 | 176.1 | -161.1 | 0 | 0 | 112.3 | N721 R742 | E719-N721 PolarHBondContact O-N 2.89Å; E719-R742 HydrophobicContact CB-CB 4.3Å; E719-R742 PolarHBondContact N-O 2.93Å; E719-R742 IonicContact OE1-NH1 3.46Å; E719-R742 VanDerWaalsContact OE2-CB 3.25Å; E719-R742 WeakPolarHBondContact OE2-CB 3.41Å; E719-R742 WeakPolarHBondContact OE2-CD 3.27Å; E719-R742 IonicContact OE2-CZ 3.26Å; E719-R742 IonicContact OE2-NE 2.8Å; E719-R742 IonicContact OE2-NH1 3.9Å; E719-R742 PolarHBondContact OE2-NH1 2.95Å |
| 720 | V | 88.5 | Confident | 86.6 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -37.8 | -175.6 | -179.4 | 0 | 0 | 0 | 0 | 112.9 | F718 L726 | F718-V720 PolarHBondContact O-N 3.48Å; F718-V720 VanDerWaalsContact O-N 3.14Å; V720-L726 HydrophobicContact CG1-CD1 4.46Å |
| 721 | N | 90.1 | Very high | 88.2 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -1 | -174.4 | 64.8 | -2.8 | 0 | 0 | 0 | 114.1 | F718 E719 E723 Y725 | F718-N721 PolarHBondContact O-N 2.63Å; F718-N721 PolarHBondContact O-OD1 2.78Å; E719-N721 PolarHBondContact O-N 2.89Å; N721-E723 PolarHBondContact O-N 2.58Å; N721-E723 VanDerWaalsContact O-N 3.15Å; N721-E723 PolarHBondContact OD1-N 3.35Å; N721-Y725 PolarHBondContact ND2-O 3Å |
| 722 | N | 87.5 | Confident | 89.4 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 53.6 | 24.8 | -172.7 | -62.2 | -49.7 | 0 | 0 | 0 | 114.2 | Q717 F718 | Q717-N722 VanDerWaalsContact CD-O 3.23Å; Q717-N722 PolarHBondContact NE2-O 2.72Å; F718-N722 VanDerWaalsContact O-CA 3.26Å; F718-N722 WeakPolarHBondContact O-CA 3.41Å; F718-N722 PolarHBondContact O-N 3.11Å |
| 723 | E | 89.9 | Confident | 90.3 | Very high | 95 Ų | 95 | 57.8 Ų | 57.8 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -109.8 | 163.1 | 177.7 | -71.6 | -71.6 | 172.7 | 0 | 0 | 110.5 | Q717 F718 N721 Y725 | Q717-E723 WeakPolarHBondContact CA-O 2.99Å; F718-E723 PolarHBondContact N-O 2.9Å; N721-E723 PolarHBondContact O-N 2.58Å; N721-E723 VanDerWaalsContact O-N 3.15Å; N721-E723 PolarHBondContact OD1-N 3.35Å; E723-Y725 VanDerWaalsContact C-N 3.25Å; E723-Y725 PolarHBondContact O-N 3Å |
| 724 | R | 89.8 | Confident | 90.9 | Very high | 39 Ų | 39 | 57 Ų | 57 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -76 | -11.2 | 176.3 | 71.1 | -179.3 | -55.5 | 170.1 | 11.6 | 114 | L703 D704 | L703-R724 PolarHBondContact N-O 3.12Å; L703-R724 PolarHBondContact O-NE 3.43Å; L703-R724 PolarHBondContact O-NH2 3.32Å; D704-R724 VanDerWaalsContact C-NH2 3.27Å; D704-R724 PolarHBondContact O-NH2 2.84Å |
| 725 | Y | 91.2 | Very high | 91 | Very high | 128 Ų | 128 | 61.4 Ų | 61.4 | 50% | 0.502 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.2 | -177.5 | 73.2 | -82.7 | 0 | 0 | 0 | 112.1 | L701 N721 E723 | L701-Y725 CarbonylContact O-C 3.56Å; L701-Y725 WeakPolarHBondContact O-CA 3.23Å; L701-Y725 WeakPolarHBondContact O-CB 3.31Å; N721-Y725 PolarHBondContact ND2-O 3Å; E723-Y725 VanDerWaalsContact C-N 3.25Å; E723-Y725 PolarHBondContact O-N 3Å |
| 726 | L | 93.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 132.2 | -179.1 | -179 | 66.1 | 0 | 0 | 0 | 109.4 | T700 L701 F718 V720 E728 R741 | T700-L726 CarbonylContact C-O 3.51Å; T700-L726 WeakPolarHBondContact CA-O 3.48Å; L701-L726 HydrophobicContact CB-CB 4.37Å; L701-L726 HydrophobicContact CD1-CD2 4.34Å; L701-L726 PolarHBondContact N-O 2.74Å; L701-L726 PolarHBondContact O-N 3.05Å; F718-L726 HydrophobicContact CD2-CB 3.85Å; F718-L726 HydrophobicContact CE2-CB 4.11Å; F718-L726 HydrophobicContact CG-CB 4.22Å; V720-L726 HydrophobicContact CG1-CD1 4.46Å; L726-E728 HydrophobicContact CD1-CG 4.38Å; L726-E728 HydrophobicContact CD2-CG 4.29Å; L726-E728 HydrophobicContact CG-CG 4.03Å; L726-R741 HydrophobicContact CD2-CG 4.29Å |
| 727 | K | 94.5 | Very high | 91.3 | Very high | 115 Ų | 115 | 67.4 Ų | 67.4 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.3 | 176.1 | -174.6 | 167.9 | -172.4 | 159.3 | 0 | 110.5 | S698 Y699 E762 | S698-K727 WeakPolarHBondContact OG-CE 3.45Å; Y699-K727 WeakPolarHBondContact O-CA 3.47Å; K727-E762 IonicContact NZ-OE2 3.44Å; K727-E762 PolarHBondContact NZ-OE2 3.42Å |
| 728 | E | 94 | Very high | 91.4 | Very high | 43 Ų | 43 | 68 Ų | 68 | 20% | 0.201 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 175.8 | -175.1 | -66.5 | -175.6 | 133.2 | 0 | 0 | 111.5 | S698 Y699 L726 R741 | S698-E728 CarbonylContact C-O 3.55Å; S698-E728 WeakPolarHBondContact CA-O 3.48Å; S698-E728 WeakPolarHBondContact CB-O 3.27Å; Y699-E728 HydrophobicContact CE1-CB 3.94Å; Y699-E728 HydrophobicContact CE2-CB 3.99Å; Y699-E728 PolarHBondContact N-O 2.78Å; Y699-E728 PolarHBondContact O-N 2.89Å; Y699-E728 WeakPolarHBondContact OH-CB 3.33Å; Y699-E728 PolarHBondContact OH-OE2 2.79Å; L726-E728 HydrophobicContact CD1-CG 4.38Å; L726-E728 HydrophobicContact CD2-CG 4.29Å; L726-E728 HydrophobicContact CG-CG 4.03Å; E728-R741 IonicContact OE1-CZ 3.89Å; E728-R741 VanDerWaalsContact OE1-CZ 3.25Å; E728-R741 IonicContact OE1-NE 3.37Å; E728-R741 PolarHBondContact OE1-NE 2.89Å; E728-R741 IonicContact OE1-NH2 2.88Å; E728-R741 PolarHBondContact OE1-NH2 3.06Å; E728-R741 IonicContact OE2-CZ 2.51Å; E728-R741 IonicContact OE2-NE 2.7Å; E728-R741 PolarHBondContact OE2-NE 2.85Å; E728-R741 IonicContact OE2-NH2 3.74Å; E728-R741 PolarHBondContact OE2-NH2 2.94Å |
| 729 | K | 94.6 | Very high | 91.5 | Very high | 143 Ų | 143 | 69.1 Ų | 69.1 | 62% | 0.622 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.2 | -177.9 | -60.7 | -178.2 | 179.7 | -172.5 | 0 | 111 | V697 E764 | V697-K729 WeakPolarHBondContact O-CA 3.45Å; K729-E764 WeakPolarHBondContact CD-OE1 2.77Å; K729-E764 VanDerWaalsContact CE-OE1 3.26Å; K729-E764 WeakPolarHBondContact CE-OE1 3.47Å; K729-E764 IonicContact NZ-OE1 2.68Å; K729-E764 PolarHBondContact NZ-OE1 3.19Å |
| 730 | I | 93 | Very high | 91.7 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 11% | 0.108 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 146.8 | 177.6 | -168.4 | 170.7 | 0 | 0 | 0 | 111 | F682 V697 Y699 V732 Q737 V739 | F682-I730 HydrophobicContact CB-CD1 4.4Å; F682-I730 HydrophobicContact CD2-CD1 3.64Å; F682-I730 HydrophobicContact CD2-CG2 4.35Å; F682-I730 HydrophobicContact CE2-CD1 4.31Å; F682-I730 HydrophobicContact CG-CD1 4.31Å; F682-I730 HydrophobicContact CG-CG2 4.46Å; V697-I730 HydrophobicContact CG2-CG2 3.55Å; V697-I730 PolarHBondContact N-O 3.12Å; V697-I730 PolarHBondContact O-N 3.23Å; V697-I730 VanDerWaalsContact O-O 3.09Å; Y699-I730 HydrophobicContact CD1-CB 4.28Å; Y699-I730 HydrophobicContact CD1-CG2 3.61Å; Y699-I730 HydrophobicContact CE1-CB 3.95Å; Y699-I730 HydrophobicContact CE1-CG2 3.78Å; I730-V732 HydrophobicContact CG2-CG2 3.8Å; I730-Q737 HydrophobicContact CD1-CB 3.99Å; I730-V739 HydrophobicContact CD1-CG2 3.95Å |
| 731 | K | 92.5 | Very high | 92 | Very high | 108 Ų | 108 | 67.7 Ų | 67.7 | 47% | 0.47 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 93.2 | 178.8 | 175.7 | 166.8 | -76 | -167.1 | 0 | 110 | P694 V695 D696 Q737 | P694-K731 HydrophobicContact CB-CD 4.19Å; P694-K731 HydrophobicContact CB-CG 3.55Å; P694-K731 HydrophobicContact CG-CD 3.59Å; P694-K731 HydrophobicContact CG-CG 3.55Å; V695-K731 CarbonylContact O-C 3.57Å; V695-K731 WeakPolarHBondContact O-CA 3.39Å; D696-K731 WeakPolarHBondContact OD1-CB 3.46Å; D696-K731 WeakPolarHBondContact OD1-CE 3.29Å; D696-K731 IonicContact OD1-NZ 2.63Å; D696-K731 IonicContact OD2-NZ 2.74Å; K731-Q737 PolarHBondContact O-NE2 2.88Å; K731-Q737 PolarHBondContact O-OE1 3.2Å |
| 732 | V | 91.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.3 | -169.6 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | V648 F682 A684 P694 V695 V697 I730 | V648-V732 HydrophobicContact CG1-CG1 4.46Å; V648-V732 HydrophobicContact CG1-CG2 4.48Å; F682-V732 HydrophobicContact CB-CG1 4.05Å; F682-V732 HydrophobicContact CB-CG2 3.83Å; A684-V732 HydrophobicContact CB-CB 4.44Å; A684-V732 HydrophobicContact CB-CG1 3.72Å; P694-V732 CarbonylContact C-O 3.51Å; P694-V732 VanDerWaalsContact CA-O 3.27Å; P694-V732 WeakPolarHBondContact CA-O 3.35Å; P694-V732 VanDerWaalsContact CB-O 3.27Å; P694-V732 WeakPolarHBondContact CB-O 2.98Å; V695-V732 HydrophobicContact CG1-CB 3.99Å; V695-V732 PolarHBondContact N-O 2.72Å; V695-V732 PolarHBondContact O-N 2.94Å; V697-V732 HydrophobicContact CG2-CG2 3.63Å; I730-V732 HydrophobicContact CG2-CG2 3.8Å |
| 733 | S | 91.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | trans | -114 | 179.4 | 175.6 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | A684 T735 Q737 | A684-S733 PolarHBondContact N-O 2.8Å; S733-T735 VanDerWaalsContact C-N 3.25Å; S733-T735 PolarHBondContact O-N 2.92Å; S733-T735 PolarHBondContact OG-O 2.84Å; S733-T735 PolarHBondContact OG-OG1 2.88Å; S733-Q737 PolarHBondContact OG-NE2 2.03Å; S733-Q737 VanDerWaalsContact OG-NE2 3.16Å | ||
| 734 | S | 88.1 | Confident | 92.4 | Very high | 91 Ų | 91 | 62.3 Ų | 62.3 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -63.3 | -33.4 | 170.5 | 54 | 0 | 0 | 0 | 0 | 112.4 | A684 | A684-S734 VanDerWaalsContact O-CA 3.3Å; A684-S734 WeakPolarHBondContact O-CA 3.25Å |
| 735 | T | 89.4 | Confident | 92.3 | Very high | 98 Ų | 98 | 60.7 Ų | 60.7 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -75.1 | 134.2 | 169 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | S733 Q737 | S733-T735 VanDerWaalsContact C-N 3.25Å; S733-T735 PolarHBondContact O-N 2.92Å; S733-T735 PolarHBondContact OG-O 2.84Å; S733-T735 PolarHBondContact OG-OG1 2.88Å; T735-Q737 PolarHBondContact O-N 2.74Å |
| 736 | S | 90.6 | Very high | 91.9 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 51% | 0.51 | 29% | 0.294 | S | S | . | . | trans | -60.8 | 127.5 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | C681 F682 | C681-S736 WeakPolarHBondContact CB-OG 3.44Å; F682-S736 CarbonylContact O-C 3.59Å; F682-S736 WeakPolarHBondContact O-CA 3.32Å | ||
| 737 | Q | 93.3 | Very high | 91.1 | Very high | 64 Ų | 64 | 64.4 Ų | 64.4 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.2 | 174 | -64.5 | -177.2 | 7.1 | 0 | 0 | 109.6 | C681 F682 I730 K731 S733 T735 | C681-Q737 CarbonylContact C-O 3.5Å; C681-Q737 WeakPolarHBondContact CA-O 3.01Å; F682-Q737 PolarHBondContact N-O 3.28Å; F682-Q737 PolarHBondContact O-N 2.85Å; I730-Q737 HydrophobicContact CD1-CB 3.99Å; K731-Q737 PolarHBondContact O-NE2 2.88Å; K731-Q737 PolarHBondContact O-OE1 3.2Å; S733-Q737 PolarHBondContact OG-NE2 2.03Å; S733-Q737 VanDerWaalsContact OG-NE2 3.16Å; T735-Q737 PolarHBondContact O-N 2.74Å |
| 738 | C | 94.3 | Very high | 90.1 | Very high | 64 Ų | 64 | 60.3 Ų | 60.3 | 43% | 0.432 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.3 | -171.4 | -49.3 | 0 | 0 | 0 | 0 | 112.4 | I680 C681 | I680-C738 CarbonylContact O-C 3.52Å; I680-C738 WeakPolarHBondContact O-CA 3.33Å; C681-C738 HydrophobicContact CB-CB 4.1Å; C681-C738 WeakPolarHBondContact CB-SG 3.4Å; C681-C738 WeakPolarHBondContact SG-CB 3.31Å; C681-C738 CovalentContact SG-SG 2.04Å; C681-C738 PolarHBondContact SG-SG 3.32Å |
| 739 | V | 94.3 | Very high | 88.9 | Confident | 24 Ų | 24 | 64.8 Ų | 64.8 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.6 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 109 | I680 I730 R741 | I680-V739 PolarHBondContact N-O 3.04Å; I680-V739 PolarHBondContact O-N 3.35Å; I730-V739 HydrophobicContact CD1-CG2 3.95Å; V739-R741 HydrophobicContact CG1-CG 4.48Å; V739-R741 VanDerWaalsContact CG1-NH2 3.27Å |
| 740 | D | 94 | Very high | 87.8 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.4 | 176.3 | -69.5 | -52.9 | 0 | 0 | 0 | 111.5 | V678 N679 | V678-D740 CarbonylContact O-C 3.6Å; V678-D740 WeakPolarHBondContact O-CA 3.24Å; N679-D740 WeakPolarHBondContact CA-OD1 3.43Å; N679-D740 WeakPolarHBondContact CB-OD1 3.46Å; N679-D740 PolarHBondContact ND2-OD1 2.78Å |
| 741 | R | 94.2 | Very high | 86.7 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.9 | 173.2 | -63.9 | -66.8 | 173.8 | -103 | 5.9 | 110 | N677 V678 L701 F718 L726 E728 V739 | N677-R741 CarbonylContact C-O 3.35Å; N677-R741 WeakPolarHBondContact CA-O 3.42Å; V678-R741 HydrophobicContact CG1-CB 3.95Å; V678-R741 WeakPolarHBondContact CG1-O 3.45Å; V678-R741 PolarHBondContact N-O 2.75Å; V678-R741 PolarHBondContact O-N 2.84Å; L701-R741 HydrophobicContact CD1-CG 4.24Å; F718-R741 HydrophobicContact CD1-CB 4.36Å; L726-R741 HydrophobicContact CD2-CG 4.29Å; E728-R741 IonicContact OE1-CZ 3.89Å; E728-R741 VanDerWaalsContact OE1-CZ 3.25Å; E728-R741 IonicContact OE1-NE 3.37Å; E728-R741 PolarHBondContact OE1-NE 2.89Å; E728-R741 IonicContact OE1-NH2 2.88Å; E728-R741 PolarHBondContact OE1-NH2 3.06Å; E728-R741 IonicContact OE2-CZ 2.51Å; E728-R741 IonicContact OE2-NE 2.7Å; E728-R741 PolarHBondContact OE2-NE 2.85Å; E728-R741 IonicContact OE2-NH2 3.74Å; E728-R741 PolarHBondContact OE2-NH2 2.94Å; V739-R741 HydrophobicContact CG1-CG 4.48Å; V739-R741 VanDerWaalsContact CG1-NH2 3.27Å |
| 742 | R | 92.7 | Very high | 85.5 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 39% | 0.389 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141.5 | 174.4 | -169.5 | 173.4 | -62 | 150.3 | -15.2 | 110.6 | N677 E719 | N677-R742 WeakPolarHBondContact OD1-CG 3.26Å; N677-R742 PolarHBondContact OD1-NE 2.83Å; E719-R742 HydrophobicContact CB-CB 4.3Å; E719-R742 PolarHBondContact N-O 2.93Å; E719-R742 IonicContact OE1-NH1 3.46Å; E719-R742 VanDerWaalsContact OE2-CB 3.25Å; E719-R742 WeakPolarHBondContact OE2-CB 3.41Å; E719-R742 WeakPolarHBondContact OE2-CD 3.27Å; E719-R742 IonicContact OE2-CZ 3.26Å; E719-R742 IonicContact OE2-NE 2.8Å; E719-R742 IonicContact OE2-NH1 3.9Å; E719-R742 PolarHBondContact OE2-NH1 2.95Å |
| 743 | V | 92.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.5 | -177.7 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | C675 F676 V678 L703 Q717 F718 | C675-V743 WeakPolarHBondContact CA-O 3.39Å; F676-V743 HydrophobicContact CD1-CB 4.23Å; F676-V743 HydrophobicContact CD1-CG1 4.49Å; F676-V743 HydrophobicContact CD2-CB 4.45Å; F676-V743 HydrophobicContact CE1-CB 3.7Å; F676-V743 HydrophobicContact CE1-CG1 3.61Å; F676-V743 HydrophobicContact CE2-CB 3.94Å; F676-V743 HydrophobicContact CE2-CG1 4.48Å; F676-V743 HydrophobicContact CE2-CG2 3.98Å; F676-V743 HydrophobicContact CZ-CB 3.54Å; F676-V743 HydrophobicContact CZ-CG1 3.61Å; F676-V743 HydrophobicContact CZ-CG2 3.88Å; F676-V743 PolarHBondContact N-O 2.95Å; F676-V743 PolarHBondContact O-N 3.11Å; V678-V743 HydrophobicContact CG1-CG2 4.37Å; L703-V743 HydrophobicContact CD1-CG1 3.59Å; L703-V743 HydrophobicContact CD1-CG2 4.17Å; L703-V743 HydrophobicContact CD2-CG1 4.47Å; L703-V743 HydrophobicContact CD2-CG2 4.41Å; Q717-V743 CarbonylContact O-C 3.51Å; Q717-V743 WeakPolarHBondContact O-CA 3.27Å; F718-V743 HydrophobicContact CD1-CG2 3.76Å; F718-V743 HydrophobicContact CE1-CG2 3.81Å |
| 744 | H | 90.4 | Very high | 84.2 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132 | 169.1 | -62.3 | 140 | 0 | 0 | 0 | 110.2 | V673 C675 G716 Q717 | V673-H744 HydrophobicContact CG2-CB 4.35Å; C675-H744 PolarHBondContact SG-CD2 2.9Å; G716-H744 CarbonylContact C-O 3.56Å; G716-H744 VanDerWaalsContact CA-O 3.28Å; G716-H744 WeakPolarHBondContact CA-O 3.46Å; Q717-H744 PolarHBondContact N-O 2.91Å; Q717-H744 PolarHBondContact O-N 3.26Å |
| 745 | V | 88.4 | Confident | 84.1 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.1 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | I659 S674 F676 R715 F786 | I659-V745 HydrophobicContact CD1-CG2 3.96Å; I659-V745 HydrophobicContact CG1-CG2 4.3Å; I659-V745 HydrophobicContact CG2-CB 4.33Å; I659-V745 HydrophobicContact CG2-CG1 4.06Å; I659-V745 HydrophobicContact CG2-CG2 3.83Å; S674-V745 WeakPolarHBondContact O-CB 3.35Å; S674-V745 PolarHBondContact O-N 2.87Å; F676-V745 HydrophobicContact CD1-CG2 3.95Å; F676-V745 HydrophobicContact CE1-CG2 3.93Å; R715-V745 CarbonylContact O-C 3.44Å; R715-V745 WeakPolarHBondContact O-CA 3.32Å; V745-F786 HydrophobicContact CG1-CE1 3.96Å; V745-F786 HydrophobicContact CG1-CZ 4.38Å |
| 746 | Q | 83.8 | Confident | 84 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 153.3 | 176.7 | -62.5 | -173 | 55.5 | 0 | 0 | 111 | S714 R715 Q717 T748 | S714-Q746 PolarHBondContact O-NE2 2.89Å; R715-Q746 PolarHBondContact O-N 2.89Å; Q717-Q746 VanDerWaalsContact NE2-NE2 3.13Å; Q746-T748 PolarHBondContact O-N 2.65Å; Q746-T748 VanDerWaalsContact O-N 3.16Å |
| 747 | E | 75.1 | Confident | 84 | Confident | 163 Ų | 163 | 50.2 Ų | 50.2 | 76% | 0.762 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 117.3 | 173.6 | -67.8 | -174.1 | 164.7 | 0 | 0 | 109.6 | K664 | K664-E747 IonicContact NZ-OE1 2.65Å; K664-E747 PolarHBondContact NZ-OE1 2.9Å |
| 748 | T | 74.3 | Confident | 84 | Confident | 29 Ų | 29 | 50 Ų | 50 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | trans | -131.9 | 138.7 | -174.2 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | R715 Q746 D750 L751 F786 | R715-T748 HydrophobicContact CB-CG2 4.31Å; R715-T748 WeakPolarHBondContact CD-OG1 3.25Å; R715-T748 HydrophobicContact CG-CG2 4.03Å; Q746-T748 PolarHBondContact O-N 2.65Å; Q746-T748 VanDerWaalsContact O-N 3.16Å; T748-D750 WeakPolarHBondContact CG2-O 3.26Å; T748-D750 PolarHBondContact OG1-N 3.15Å; T748-D750 VanDerWaalsContact OG1-N 3.09Å; T748-D750 PolarHBondContact OG1-O 3.34Å; T748-L751 HydrophobicContact CG2-CD2 4.06Å; T748-F786 HydrophobicContact CG2-CE1 4.36Å; T748-F786 HydrophobicContact CG2-CZ 4.18Å | ||
| 749 | P | 68.2 | Low | 83.9 | Confident | 138 Ų | 138 | 47 Ų | 47 | 90% | 0.896 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -73 | -18.3 | 171 | 30.9 | -34.1 | 0 | 0 | 0 | 112.3 | L751 | P749-L751 PolarHBondContact O-N 2.86Š|
| 750 | D | 71 | Confident | 83.9 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | trans | -92.7 | 93 | 176.9 | -176 | 6.2 | 0 | 0 | 0 | 111 | R715 T748 V752 N753 | R715-D750 IonicContact NH1-OD2 2.78Å; R715-D750 PolarHBondContact NH1-OD2 3Å; T748-D750 WeakPolarHBondContact CG2-O 3.26Å; T748-D750 PolarHBondContact OG1-N 3.15Å; T748-D750 VanDerWaalsContact OG1-N 3.09Å; T748-D750 PolarHBondContact OG1-O 3.34Å; D750-V752 PolarHBondContact OD1-N 2.79Å; D750-V752 VanDerWaalsContact OD1-N 3.11Å; D750-N753 PolarHBondContact OD1-N 3.12Å; D750-N753 PolarHBondContact OD1-ND2 2.74Å; D750-N753 PolarHBondContact OD2-ND2 2.83Å | ||
| 751 | L | 70.1 | Confident | 83.8 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | trans | -102.2 | 2.4 | 171.7 | -54.7 | 172.2 | 0 | 0 | 0 | 111.6 | I661 T748 P749 F786 K788 | I661-L751 HydrophobicContact CD1-CD1 3.44Å; I661-L751 VanDerWaalsContact CD1-CD1 3.44Å; I661-L751 HydrophobicContact CD1-CD2 3.95Å; I661-L751 HydrophobicContact CD1-CG 4.35Å; I661-L751 HydrophobicContact CG1-CD1 4.37Å; I661-L751 HydrophobicContact CG1-CD2 4.3Å; I661-L751 HydrophobicContact CG2-CD2 3.67Å; T748-L751 HydrophobicContact CG2-CD2 4.06Å; P749-L751 PolarHBondContact O-N 2.86Å; L751-F786 HydrophobicContact CD2-CD1 3.85Å; L751-F786 HydrophobicContact CD2-CE1 4.03Å; L751-F786 HydrophobicContact CD2-CG 4.41Å; L751-F786 WeakPolarHBondContact O-CB 3.05Å; L751-K788 PolarHBondContact O-NZ 2.77Å | ||
| 752 | V | 67.6 | Low | 83.7 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -87.3 | -47.5 | -176.8 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | D750 K788 A879 | D750-V752 PolarHBondContact OD1-N 2.79Å; D750-V752 VanDerWaalsContact OD1-N 3.11Å; V752-K788 PolarHBondContact O-NZ 2.75Å; V752-A879 HydrophobicContact CG1-CB 3.57Å |
| 753 | N | 73.2 | Confident | 83.4 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 35% | 0.348 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -83.3 | 138 | -179.7 | -60.2 | -52.7 | 0 | 0 | 0 | 111.3 | R715 D750 F786 | R715-N753 PolarHBondContact NH1-O 2.91Å; D750-N753 PolarHBondContact OD1-N 3.12Å; D750-N753 PolarHBondContact OD1-ND2 2.74Å; D750-N753 PolarHBondContact OD2-ND2 2.83Å; N753-F786 WeakPolarHBondContact O-CD2 3.32Å; N753-F786 WeakPolarHBondContact O-CE2 3.43Å |
| 754 | S | 81.6 | Confident | 83.1 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 149.6 | 171.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | R715 I784 P785 | R715-S754 PolarHBondContact NH2-O 2.81Å; S754-I784 CarbonylContact C-O 3.57Å; S754-I784 WeakPolarHBondContact CA-O 3.29Å; S754-I784 WeakPolarHBondContact CB-O 3.33Å; S754-P785 WeakPolarHBondContact OG-CA 3.44Å |
| 755 | L | 86.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123.9 | 172.6 | -174.5 | 159.1 | 0 | 0 | 0 | 108.4 | I659 F676 L703 R715 F783 I784 F786 | I659-L755 HydrophobicContact CD1-CB 4.04Å; I659-L755 HydrophobicContact CD1-CD1 4.01Å; F676-L755 HydrophobicContact CE1-CD1 4.45Å; F676-L755 HydrophobicContact CZ-CD2 4.19Å; L703-L755 HydrophobicContact CB-CD2 4.45Å; L703-L755 HydrophobicContact CD2-CD2 3.79Å; R715-L755 HydrophobicContact CB-CD1 4.16Å; L755-F783 WeakPolarHBondContact O-CA 3.36Å; L755-I784 HydrophobicContact CB-CG2 3.78Å; L755-I784 HydrophobicContact CD2-CG2 4.01Å; L755-I784 HydrophobicContact CG-CG2 4.43Å; L755-I784 PolarHBondContact N-O 2.85Å; L755-I784 WeakPolarHBondContact O-CG2 3.23Å; L755-I784 PolarHBondContact O-N 2.78Å; L755-F786 HydrophobicContact CB-CE2 4.26Å; L755-F786 HydrophobicContact CB-CZ 4.49Å |
| 756 | S | 87.9 | Confident | 81.6 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 143.9 | -176.8 | 71.2 | 0 | 0 | 0 | 0 | 111.7 | L703 D704 A705 D706 F782 F783 | L703-S756 CarbonylContact C-O 3.52Å; L703-S756 VanDerWaalsContact CA-O 3.25Å; L703-S756 WeakPolarHBondContact CA-O 3.36Å; D704-S756 WeakPolarHBondContact CA-OG 3.44Å; D704-S756 PolarHBondContact N-O 3.05Å; D704-S756 PolarHBondContact N-OG 2.77Å; D704-S756 PolarHBondContact OD1-N 2.82Å; A705-S756 PolarHBondContact N-OG 3.01Å; D706-S756 PolarHBondContact OD1-OG 2.88Å; S756-F782 CarbonylContact C-O 3.58Å; S756-F782 WeakPolarHBondContact CA-O 3.49Å; S756-F783 VanDerWaalsContact CB-CE1 3.49Å |
| 757 | L | 91.2 | Very high | 81.1 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 108.7 | 171 | 171.9 | 65.5 | 0 | 0 | 0 | 108.4 | A652 F654 V678 I680 L701 L703 F718 V759 E781 F782 | A652-L757 HydrophobicContact CB-CD2 4.43Å; F654-L757 HydrophobicContact CE1-CD2 4.26Å; V678-L757 HydrophobicContact CG1-CD2 4.4Å; V678-L757 HydrophobicContact CG2-CD2 3.68Å; I680-L757 HydrophobicContact CD1-CD2 4.09Å; I680-L757 HydrophobicContact CG1-CD2 4.49Å; L701-L757 HydrophobicContact CB-CD1 4.06Å; L703-L757 HydrophobicContact CD2-CB 4.27Å; L703-L757 HydrophobicContact CD2-CD1 3.82Å; F718-L757 HydrophobicContact CZ-CD1 3.89Å; L757-V759 HydrophobicContact CD2-CG2 4.45Å; L757-V759 HydrophobicContact CG-CG2 4.2Å; L757-E781 WeakPolarHBondContact O-CA 3.47Å; L757-F782 HydrophobicContact CB-CB 4.49Å; L757-F782 PolarHBondContact N-O 2.96Å; L757-F782 PolarHBondContact O-N 2.88Å |
| 758 | K | 91.8 | Very high | 81.3 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 26% | 0.261 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.8 | 171.3 | -165.8 | -173.5 | -173.3 | -165.7 | 0 | 110 | L701 T702 A705 E760 F780 | L701-K758 CarbonylContact C-O 3.56Å; L701-K758 WeakPolarHBondContact CA-O 3.42Å; T702-K758 PolarHBondContact N-O 2.92Å; T702-K758 PolarHBondContact O-N 2.72Å; A705-K758 HydrophobicContact CB-CB 3.75Å; A705-K758 HydrophobicContact CB-CD 3.88Å; A705-K758 HydrophobicContact CB-CG 4.44Å; K758-E760 HydrophobicContact CD-CG 4.01Å; K758-E760 VanDerWaalsContact CE-OE1 3.28Å; K758-E760 WeakPolarHBondContact CE-OE1 3.45Å; K758-E760 HydrophobicContact CG-CG 4.1Å; K758-E760 IonicContact NZ-OE1 3.15Å; K758-E760 PolarHBondContact NZ-OE1 2.83Å; K758-F780 CarbonylContact C-O 3.55Å; K758-F780 WeakPolarHBondContact CA-O 3.36Å |
| 759 | V | 93.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110.5 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | A650 I680 F682 T700 L701 L757 A779 F780 F782 | A650-V759 HydrophobicContact CB-CG1 4.2Å; I680-V759 HydrophobicContact CG2-CG2 4.49Å; F682-V759 HydrophobicContact CE1-CG1 3.85Å; F682-V759 HydrophobicContact CZ-CG1 3.94Å; T700-V759 CarbonylContact O-C 3.52Å; T700-V759 WeakPolarHBondContact O-CA 3.49Å; L701-V759 HydrophobicContact CD2-CB 4.2Å; L701-V759 HydrophobicContact CD2-CG1 3.93Å; L701-V759 HydrophobicContact CD2-CG2 3.68Å; L757-V759 HydrophobicContact CD2-CG2 4.45Å; L757-V759 HydrophobicContact CG-CG2 4.2Å; V759-A779 CarbonylContact O-C 3.56Å; V759-A779 WeakPolarHBondContact O-CA 3.34Å; V759-F780 HydrophobicContact CB-CB 4.43Å; V759-F780 PolarHBondContact N-O 3.36Å; V759-F780 PolarHBondContact O-N 3.42Å; V759-F782 HydrophobicContact CB-CE2 4.2Å; V759-F782 HydrophobicContact CG2-CD2 3.84Å; V759-F782 HydrophobicContact CG2-CE2 3.62Å |
| 760 | E | 93.9 | Very high | 82.7 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.2 | 179.6 | -61.9 | 178.6 | 116.2 | 0 | 0 | 109.5 | Y699 T700 K758 K778 A779 | Y699-E760 CarbonylContact C-O 3.54Å; Y699-E760 WeakPolarHBondContact CA-O 3.38Å; T700-E760 PolarHBondContact N-O 2.68Å; T700-E760 PolarHBondContact O-N 3.44Å; K758-E760 HydrophobicContact CD-CG 4.01Å; K758-E760 VanDerWaalsContact CE-OE1 3.28Å; K758-E760 WeakPolarHBondContact CE-OE1 3.45Å; K758-E760 HydrophobicContact CG-CG 4.1Å; K758-E760 IonicContact NZ-OE1 3.15Å; K758-E760 PolarHBondContact NZ-OE1 2.83Å; E760-K778 CarbonylContact C-O 3.6Å; E760-K778 WeakPolarHBondContact CA-O 3.27Å; E760-A779 HydrophobicContact CG-CB 3.98Å |
| 761 | V | 92.3 | Very high | 83.6 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.9 | -177 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | V648 F682 V697 L772 K778 F780 | V648-V761 HydrophobicContact CB-CG1 4.46Å; V648-V761 HydrophobicContact CG1-CG1 4.17Å; V648-V761 HydrophobicContact CG1-CG2 4.48Å; F682-V761 HydrophobicContact CD1-CG2 4.44Å; F682-V761 HydrophobicContact CE1-CG2 4Å; V697-V761 HydrophobicContact CB-CG1 3.85Å; V697-V761 HydrophobicContact CG1-CG1 4.09Å; V697-V761 HydrophobicContact CG2-CG1 3.96Å; V761-L772 HydrophobicContact CG1-CD1 4.25Å; V761-K778 PolarHBondContact N-O 3.36Å; V761-F780 HydrophobicContact CG2-CD2 4.46Å; V761-F780 HydrophobicContact CG2-CE2 4.14Å |
| 762 | E | 90.9 | Very high | 84.4 | Confident | 95 Ų | 95 | 39.6 Ų | 39.6 | 44% | 0.444 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142 | 178.3 | -64.3 | 176.7 | 162.3 | 0 | 0 | 109.5 | V697 S698 K727 | V697-E762 CarbonylContact C-O 3.56Å; V697-E762 WeakPolarHBondContact CA-O 3.34Å; V697-E762 WeakPolarHBondContact CB-O 3.23Å; S698-E762 PolarHBondContact N-O 3.44Å; S698-E762 PolarHBondContact O-N 3.29Å; S698-E762 VanDerWaalsContact O-O 3.07Å; K727-E762 IonicContact NZ-OE2 3.44Å; K727-E762 PolarHBondContact NZ-OE2 3.42Å |
| 763 | Q | 87.9 | Confident | 85.3 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136.4 | 174.2 | -174.5 | 165.4 | -16 | 0 | 0 | 110.3 | S765 L772 | Q763-S765 WeakPolarHBondContact CG-O 3.41Å; Q763-S765 PolarHBondContact NE2-O 3.14Å; Q763-L772 HydrophobicContact CB-CD1 3.83Å; Q763-L772 HydrophobicContact CB-CG 3.99Å |
| 764 | E | 85.8 | Confident | 85.6 | Confident | 86 Ų | 86 | 37 Ų | 37 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -71.7 | -43.3 | -177.5 | -177.7 | 171.3 | -171.8 | 0 | 0 | 112.5 | D696 K729 | D696-E764 HydrophobicContact CB-CB 4.35Å; D696-E764 PolarHBondContact O-N 2.92Å; D696-E764 VanDerWaalsContact O-N 3.15Å; K729-E764 WeakPolarHBondContact CD-OE1 2.77Å; K729-E764 VanDerWaalsContact CE-OE1 3.26Å; K729-E764 WeakPolarHBondContact CE-OE1 3.47Å; K729-E764 IonicContact NZ-OE1 2.68Å; K729-E764 PolarHBondContact NZ-OE1 3.19Å |
| 765 | S | 79.8 | Confident | 85.5 | Confident | 49 Ų | 49 | 40.6 Ų | 40.6 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | trans | -131.9 | 125.1 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | Q763 D767 | Q763-S765 WeakPolarHBondContact CG-O 3.41Å; Q763-S765 PolarHBondContact NE2-O 3.14Å; S765-D767 VanDerWaalsContact C-N 3.28Å; S765-D767 PolarHBondContact O-N 3.09Å | ||
| 766 | P | 68.2 | Low | 85.2 | Confident | 52 Ų | 52 | 41.6 Ų | 41.6 | 34% | 0.338 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13.1 | -172.4 | 31 | -36.6 | 0 | 0 | 0 | 114.2 | R643 | R643-P766 PolarHBondContact NH1-O 2.74Å; R643-P766 PolarHBondContact NH2-O 2.6Å |
| 767 | D | 73 | Confident | 84.9 | Confident | 65 Ų | 65 | 45.9 Ų | 45.9 | 35% | 0.348 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 7.7 | -175.3 | -67.9 | -52.5 | 0 | 0 | 0 | 113.6 | T32 A33 K603 S765 | T32-D767 PolarHBondContact OG1-OD1 2.94Å; A33-D767 HydrophobicContact CB-CB 4.08Å; K603-D767 IonicContact NZ-OD1 2.9Å; S765-D767 VanDerWaalsContact C-N 3.28Å; S765-D767 PolarHBondContact O-N 3.09Å |
| 768 | V | 79.3 | Confident | 84.7 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -90.1 | 154.3 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | R643 P770 | R643-V768 PolarHBondContact NH1-O 3.45Å; V768-P770 CarbonylContact O-C 3.57Å |
| 769 | N | 84.1 | Confident | 84.6 | Confident | 83 Ų | 83 | 49.6 Ų | 49.6 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -108.4 | 124.3 | 170.6 | -176.6 | 11.1 | 0 | 0 | 0 | 108.2 | R643 G644 | R643-N769 HydrophobicContact CB-CB 4.3Å; R643-N769 HydrophobicContact CG-CB 4.2Å; G644-N769 PolarHBondContact N-OD1 3.06Å |
| 770 | P | 88.4 | Confident | 84.4 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | S | Bend | cis | -77.7 | 166 | 0.2 | 26.7 | -32 | 0 | 0 | 0 | 116.5 | G644 A646 F686 V692 V695 V768 | G644-P770 CarbonylContact O-C 3.53Å; G644-P770 WeakPolarHBondContact O-CA 3.5Å; G644-P770 WeakPolarHBondContact O-CB 3.49Å; A646-P770 HydrophobicContact CB-CB 4.06Å; A646-P770 HydrophobicContact CB-CG 4.18Å; F686-P770 HydrophobicContact CD1-CB 4.4Å; F686-P770 HydrophobicContact CD1-CG 3.93Å; F686-P770 HydrophobicContact CE1-CG 3.8Å; V692-P770 HydrophobicContact CG1-CB 3.36Å; V692-P770 HydrophobicContact CG1-CG 3.61Å; V695-P770 HydrophobicContact CB-CG 4Å; V695-P770 HydrophobicContact CG2-CG 4.35Å; V768-P770 CarbonylContact O-C 3.57Å |
| 771 | V | 88.9 | Confident | 84.1 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 150.5 | 171.2 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | F28 G644 V645 A646 | F28-V771 WeakPolarHBondContact O-CB 3.41Å; F28-V771 VanDerWaalsContact O-CG1 3.24Å; F28-V771 WeakPolarHBondContact O-CG1 3.16Å; F28-V771 WeakPolarHBondContact O-CG2 3.32Å; G644-V771 PolarHBondContact O-N 2.9Å; V645-V771 CarbonylContact C-O 3.5Å; V645-V771 WeakPolarHBondContact CA-O 3.36Å; V645-V771 HydrophobicContact CG2-CG1 4.4Å; A646-V771 PolarHBondContact N-O 2.76Å |
| 772 | L | 87.9 | Confident | 83.9 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135.8 | 169.6 | -68.2 | -177.2 | 0 | 0 | 0 | 111.1 | A646 V648 V695 V697 V761 Q763 S774 | A646-L772 HydrophobicContact CB-CD2 4.38Å; A646-L772 WeakPolarHBondContact O-CA 3.42Å; V648-L772 HydrophobicContact CB-CD2 4.28Å; V648-L772 HydrophobicContact CG2-CD2 3.47Å; V648-L772 VanDerWaalsContact CG2-CD2 3.47Å; V695-L772 HydrophobicContact CG2-CD2 4.3Å; V697-L772 HydrophobicContact CG1-CD1 4.15Å; V697-L772 HydrophobicContact CG1-CD2 4.04Å; V697-L772 HydrophobicContact CG1-CG 4.4Å; V761-L772 HydrophobicContact CG1-CD1 4.25Å; Q763-L772 HydrophobicContact CB-CD1 3.83Å; Q763-L772 HydrophobicContact CB-CG 3.99Å; L772-S774 PolarHBondContact O-N 3.16Å |
| 773 | D | 85.4 | Confident | 83.6 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 123.9 | 173 | -179 | 7.3 | 0 | 0 | 0 | 110.9 | V645 A646 V647 R687 F775 S776 | V645-D773 HydrophobicContact CG1-CB 3.51Å; A646-D773 PolarHBondContact O-N 2.95Å; V647-D773 HydrophobicContact CG2-CB 3.86Å; R687-D773 IonicContact NH2-OD2 2.82Å; R687-D773 PolarHBondContact NH2-OD2 3.02Å; D773-F775 PolarHBondContact O-N 2.86Å; D773-F775 PolarHBondContact OD1-N 3.46Å; D773-S776 PolarHBondContact O-N 3.21Å; D773-S776 PolarHBondContact OD2-OG 2.77Å |
| 774 | S | 80.2 | Confident | 83.6 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -19.7 | 179.5 | -168.3 | 0 | 0 | 0 | 0 | 113 | L772 | L772-S774 PolarHBondContact O-N 3.16Š|
| 775 | F | 77.9 | Confident | 83.4 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 40% | 0.395 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -9.3 | -179.1 | -54.5 | -66.3 | 0 | 0 | 0 | 113.1 | N585 K592 D773 | N585-F775 HydrophobicContact CB-CE2 4.31Å; N585-F775 HydrophobicContact CB-CZ 4.22Å; N585-F775 WeakPolarHBondContact OD1-CE2 3.26Å; N585-F775 WeakPolarHBondContact OD1-CZ 2.99Å; K592-F775 HydrophobicContact CD-CE1 3.86Å; K592-F775 HydrophobicContact CD-CZ 4.03Å; K592-F775 VanDerWaalsContact NZ-CD1 3.31Å; D773-F775 PolarHBondContact O-N 2.86Å; D773-F775 PolarHBondContact OD1-N 3.46Å |
| 776 | S | 81.3 | Confident | 83.5 | Confident | 23 Ų | 23 | 48 Ų | 48 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -83.2 | 150 | 178.5 | -76.4 | 0 | 0 | 0 | 0 | 112.5 | V647 D773 K778 | V647-S776 WeakPolarHBondContact CG1-OG 3.24Å; V647-S776 WeakPolarHBondContact CG2-OG 3.47Å; D773-S776 PolarHBondContact O-N 3.21Å; D773-S776 PolarHBondContact OD2-OG 2.77Å; S776-K778 PolarHBondContact O-N 3.41Å |
| 777 | P | 81.6 | Confident | 83.7 | Confident | 92 Ų | 92 | 48 Ų | 48 | 60% | 0.597 | 26% | 0.26 | S | S | * | . | trans | -58 | 127.3 | 174.7 | -23 | 33.1 | 0 | 0 | 0 | 112.1 | F780 | P777-F780 HydrophobicContact CB-CE1 4.45Å; P777-F780 WeakPolarHBondContact O-CZ 3.45Å | ||
| 778 | K | 85.8 | Confident | 83.6 | Confident | 94 Ų | 94 | 46.3 Ų | 46.3 | 41% | 0.409 | 25% | 0.249 | S | C | . | . | trans | -98.9 | -5.9 | 175.7 | -63.4 | -178.7 | -175.9 | 177.2 | 0 | 113 | E760 V761 S776 | E760-K778 CarbonylContact C-O 3.6Å; E760-K778 WeakPolarHBondContact CA-O 3.27Å; V761-K778 PolarHBondContact N-O 3.36Å; S776-K778 PolarHBondContact O-N 3.41Å | ||
| 779 | A | 89.7 | Confident | 82.8 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V759 E760 | V759-A779 CarbonylContact O-C 3.56Å; V759-A779 WeakPolarHBondContact O-CA 3.34Å; E760-A779 HydrophobicContact CG-CB 3.98Å |
| 780 | F | 89.4 | Confident | 81.8 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.3 | 179.6 | -52.8 | -89.2 | 0 | 0 | 0 | 108.6 | V648 A650 K758 V759 V761 P777 F782 | V648-F780 WeakPolarHBondContact O-CZ 3.44Å; A650-F780 HydrophobicContact CB-CB 4.36Å; A650-F780 HydrophobicContact CB-CD2 3.59Å; A650-F780 HydrophobicContact CB-CE2 4.01Å; A650-F780 HydrophobicContact CB-CG 3.91Å; K758-F780 CarbonylContact C-O 3.55Å; K758-F780 WeakPolarHBondContact CA-O 3.36Å; V759-F780 HydrophobicContact CB-CB 4.43Å; V759-F780 PolarHBondContact N-O 3.36Å; V759-F780 PolarHBondContact O-N 3.42Å; V761-F780 HydrophobicContact CG2-CD2 4.46Å; V761-F780 HydrophobicContact CG2-CE2 4.14Å; P777-F780 HydrophobicContact CB-CE1 4.45Å; P777-F780 WeakPolarHBondContact O-CZ 3.45Å; F780-F782 HydrophobicContact CB-CE2 3.76Å; F780-F782 HydrophobicContact CB-CZ 3.79Å |
| 781 | E | 87.9 | Confident | 80.7 | Confident | 92 Ų | 92 | 48.4 Ų | 48.4 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133 | -179.7 | -162.9 | 170.6 | -158.9 | 0 | 0 | 110.3 | L757 F783 | L757-E781 WeakPolarHBondContact O-CA 3.47Å; E781-F783 HydrophobicContact CB-CE2 4.4Å; E781-F783 HydrophobicContact CB-CZ 4.37Å; E781-F783 VanDerWaalsContact CD-CZ 3.45Å; E781-F783 HydrophobicContact CG-CE1 4.1Å; E781-F783 HydrophobicContact CG-CE2 3.96Å; E781-F783 HydrophobicContact CG-CZ 3.55Å |
| 782 | F | 88.1 | Confident | 79.3 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 17% | 0.167 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 152.9 | -178.4 | -52.1 | -78.9 | 0 | 0 | 0 | 109.3 | A650 A652 F654 S756 L757 V759 F780 | A650-F782 HydrophobicContact CB-CZ 4.43Å; A650-F782 WeakPolarHBondContact O-CZ 3.46Å; A652-F782 HydrophobicContact CB-CB 4.03Å; A652-F782 HydrophobicContact CB-CD1 3.83Å; A652-F782 HydrophobicContact CB-CD2 3.52Å; A652-F782 HydrophobicContact CB-CE1 4.17Å; A652-F782 HydrophobicContact CB-CE2 3.88Å; A652-F782 HydrophobicContact CB-CG 3.5Å; A652-F782 VanDerWaalsContact CB-CG 3.5Å; A652-F782 HydrophobicContact CB-CZ 4.19Å; F654-F782 HydrophobicContact CE2-CB 4.27Å; F654-F782 HydrophobicContact CZ-CB 3.84Å; S756-F782 CarbonylContact C-O 3.58Å; S756-F782 WeakPolarHBondContact CA-O 3.49Å; L757-F782 HydrophobicContact CB-CB 4.49Å; L757-F782 PolarHBondContact N-O 2.96Å; L757-F782 PolarHBondContact O-N 2.88Å; V759-F782 HydrophobicContact CB-CE2 4.2Å; V759-F782 HydrophobicContact CG2-CD2 3.84Å; V759-F782 HydrophobicContact CG2-CE2 3.62Å; F780-F782 HydrophobicContact CB-CE2 3.76Å; F780-F782 HydrophobicContact CB-CZ 3.79Å |
| 783 | F | 85.3 | Confident | 78.2 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.3 | -174.2 | -58 | -86.6 | 0 | 0 | 0 | 110.3 | F654 L755 S756 E781 | F654-F783 WeakPolarHBondContact CE2-O 3.27Å; L755-F783 WeakPolarHBondContact O-CA 3.36Å; S756-F783 VanDerWaalsContact CB-CE1 3.49Å; E781-F783 HydrophobicContact CB-CE2 4.4Å; E781-F783 HydrophobicContact CB-CZ 4.37Å; E781-F783 VanDerWaalsContact CD-CZ 3.45Å; E781-F783 HydrophobicContact CG-CE1 4.1Å; E781-F783 HydrophobicContact CG-CE2 3.96Å; E781-F783 HydrophobicContact CG-CZ 3.55Å |
| 784 | I | 87.6 | Confident | 77.2 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.8 | 171.4 | -173.7 | 178.6 | 0 | 0 | 0 | 109.6 | F654 I659 F676 S754 L755 | F654-I784 HydrophobicContact CB-CD1 3.73Å; F654-I784 HydrophobicContact CB-CG1 4.17Å; F654-I784 HydrophobicContact CD1-CB 4.03Å; F654-I784 HydrophobicContact CD1-CD1 4.05Å; F654-I784 HydrophobicContact CD1-CG1 4.41Å; F654-I784 HydrophobicContact CD2-CB 4.02Å; F654-I784 HydrophobicContact CD2-CG1 4.35Å; F654-I784 HydrophobicContact CE1-CB 4.14Å; F654-I784 HydrophobicContact CE1-CG2 4.45Å; F654-I784 HydrophobicContact CE2-CB 4.14Å; F654-I784 HydrophobicContact CG-CB 3.96Å; F654-I784 HydrophobicContact CG-CD1 3.92Å; F654-I784 HydrophobicContact CG-CG1 4.07Å; F654-I784 HydrophobicContact CZ-CB 4.19Å; I659-I784 HydrophobicContact CD1-CD1 4.24Å; I659-I784 HydrophobicContact CD1-CG1 4.35Å; I659-I784 HydrophobicContact CD1-CG2 3.76Å; I659-I784 HydrophobicContact CG1-CD1 3.68Å; I659-I784 HydrophobicContact CG1-CG1 3.99Å; I659-I784 HydrophobicContact CG1-CG2 4.32Å; F676-I784 HydrophobicContact CB-CD1 4Å; F676-I784 HydrophobicContact CD1-CD1 3.82Å; F676-I784 HydrophobicContact CD2-CD1 3.54Å; F676-I784 HydrophobicContact CE1-CD1 4.14Å; F676-I784 HydrophobicContact CE1-CG2 4.17Å; F676-I784 HydrophobicContact CE2-CD1 3.89Å; F676-I784 HydrophobicContact CE2-CG2 4.21Å; F676-I784 HydrophobicContact CG-CD1 3.5Å; F676-I784 HydrophobicContact CZ-CD1 4.18Å; F676-I784 HydrophobicContact CZ-CG2 3.82Å; S754-I784 CarbonylContact C-O 3.57Å; S754-I784 WeakPolarHBondContact CA-O 3.29Å; S754-I784 WeakPolarHBondContact CB-O 3.33Å; L755-I784 HydrophobicContact CB-CG2 3.78Å; L755-I784 HydrophobicContact CD2-CG2 4.01Å; L755-I784 HydrophobicContact CG-CG2 4.43Å; L755-I784 PolarHBondContact N-O 2.85Å; L755-I784 WeakPolarHBondContact O-CG2 3.23Å; L755-I784 PolarHBondContact O-N 2.78Å |
| 785 | P | 82.1 | Confident | 76.6 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 14% | 0.143 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 157.1 | -178.3 | 32.3 | -35.6 | 0 | 0 | 0 | 112.1 | K658 I659 S754 D913 | K658-P785 CarbonylContact C-O 3.51Å; K658-P785 WeakPolarHBondContact CA-O 3.46Å; K658-P785 HydrophobicContact CG-CG 4.11Å; I659-P785 PolarHBondContact N-O 3.35Å; S754-P785 WeakPolarHBondContact OG-CA 3.44Å; P785-D913 HydrophobicContact CB-CB 4.27Å |
| 786 | F | 80.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -85.5 | 150.2 | 167.8 | -68.3 | -93.1 | 0 | 0 | 0 | 110.8 | I659 I661 V745 T748 L751 N753 L755 K788 | I659-F786 HydrophobicContact CB-CD1 3.74Å; I659-F786 HydrophobicContact CB-CE1 4.08Å; I659-F786 HydrophobicContact CB-CG 4.31Å; I659-F786 HydrophobicContact CD1-CD1 4.36Å; I659-F786 HydrophobicContact CD1-CE1 4.01Å; I659-F786 HydrophobicContact CD1-CE2 4.45Å; I659-F786 HydrophobicContact CD1-CZ 4.05Å; I659-F786 HydrophobicContact CG2-CD1 3.65Å; I659-F786 HydrophobicContact CG2-CE1 3.7Å; I659-F786 CarbonylContact O-C 3.45Å; I659-F786 WeakPolarHBondContact O-CA 3.46Å; I661-F786 HydrophobicContact CG2-CD1 4.03Å; I661-F786 HydrophobicContact CG2-CE1 4.12Å; V745-F786 HydrophobicContact CG1-CE1 3.96Å; V745-F786 HydrophobicContact CG1-CZ 4.38Å; T748-F786 HydrophobicContact CG2-CE1 4.36Å; T748-F786 HydrophobicContact CG2-CZ 4.18Å; L751-F786 HydrophobicContact CD2-CD1 3.85Å; L751-F786 HydrophobicContact CD2-CE1 4.03Å; L751-F786 HydrophobicContact CD2-CG 4.41Å; L751-F786 WeakPolarHBondContact O-CB 3.05Å; N753-F786 WeakPolarHBondContact O-CD2 3.32Å; N753-F786 WeakPolarHBondContact O-CE2 3.43Å; L755-F786 HydrophobicContact CB-CE2 4.26Å; L755-F786 HydrophobicContact CB-CZ 4.49Å; F786-K788 WeakPolarHBondContact O-CD 3.25Å; F786-K788 WeakPolarHBondContact O-CE 3.07Å; F786-K788 PolarHBondContact O-N 3.49Å |
| 787 | T | 73.8 | Confident | 76.1 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 32% | 0.319 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 131.6 | 173.9 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | I659 N660 | I659-T787 PolarHBondContact O-N 2.82Å; I659-T787 PolarHBondContact O-OG1 3.39Å; N660-T787 WeakPolarHBondContact CA-OG1 3.31Å; N660-T787 WeakPolarHBondContact CB-OG1 3.33Å |
| 788 | K | 70.3 | Confident | 76.2 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | trans | -108.6 | 164 | -177.8 | -51.4 | -62.6 | -177.5 | 176.7 | 0 | 110.3 | L751 V752 F786 C790 Y839 D913 | L751-K788 PolarHBondContact O-NZ 2.77Å; V752-K788 PolarHBondContact O-NZ 2.75Å; F786-K788 WeakPolarHBondContact O-CD 3.25Å; F786-K788 WeakPolarHBondContact O-CE 3.07Å; F786-K788 PolarHBondContact O-N 3.49Å; K788-C790 PolarHBondContact O-N 3Å; K788-C790 PolarHBondContact O-SG 2.85Å; K788-C790 VanDerWaalsContact O-SG 3.39Å; K788-Y839 HydrophobicContact CB-CD1 4.08Å; K788-Y839 HydrophobicContact CB-CD2 3.58Å; K788-Y839 HydrophobicContact CB-CE1 4.15Å; K788-Y839 HydrophobicContact CB-CE2 3.66Å; K788-Y839 HydrophobicContact CB-CG 3.82Å; K788-Y839 HydrophobicContact CD-CD1 3.78Å; K788-Y839 HydrophobicContact CD-CD2 4.46Å; K788-Y839 HydrophobicContact CD-CE1 4.43Å; K788-Y839 HydrophobicContact CD-CG 3.81Å; K788-Y839 HydrophobicContact CG-CD1 4.03Å; K788-Y839 HydrophobicContact CG-CD2 3.8Å; K788-Y839 HydrophobicContact CG-CE2 4.38Å; K788-Y839 HydrophobicContact CG-CG 3.62Å; K788-D913 WeakPolarHBondContact CE-OD2 3.23Å; K788-D913 IonicContact NZ-OD2 2.68Å | ||
| 789 | D | 63.5 | Low | 76.4 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 73% | 0.727 | 30% | 0.304 | S | S | * | . | trans | -77.1 | 86 | 178.9 | -171.6 | 9 | 0 | 0 | 0 | 110.8 | Y839 | D789-Y839 PolarHBondContact O-OH 2.79Å; D789-Y839 VanDerWaalsContact O-OH 3.07Å | ||
| 790 | C | 63.3 | Low | 76.5 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | trans | -104.1 | 17.2 | -172.4 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | K788 C796 | K788-C790 PolarHBondContact O-N 3Å; K788-C790 PolarHBondContact O-SG 2.85Å; K788-C790 VanDerWaalsContact O-SG 3.39Å; C790-C796 VanDerWaalsContact CA-SG 3.57Å; C790-C796 HydrophobicContact CB-CB 3.85Å; C790-C796 VanDerWaalsContact CB-N 3.29Å; C790-C796 WeakPolarHBondContact CB-SG 3.37Å; C790-C796 VanDerWaalsContact SG-CA 3.6Å; C790-C796 WeakPolarHBondContact SG-CB 2.99Å; C790-C796 PolarHBondContact SG-N 2.87Å; C790-C796 CovalentContact SG-SG 2.01Å; C790-C796 PolarHBondContact SG-SG 3Å | ||
| 791 | G | 64.9 | Low | 76.7 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | trans | 77.6 | -168.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D793 E794 | G791-D793 PolarHBondContact O-N 2.81Å; G791-E794 PolarHBondContact O-N 3.34Å | ||
| 792 | S | 58.4 | Low | 77 | Confident | 134 Ų | 134 | 47.4 Ų | 47.4 | 94% | 0.937 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -15 | -165.2 | 52 | 0 | 0 | 0 | 0 | 116 | ||
| 793 | D | 65.9 | Low | 77.2 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.7 | 176 | 60 | -4.8 | 0 | 0 | 0 | 112.8 | G791 L795 | G791-D793 PolarHBondContact O-N 2.81Å; D793-L795 PolarHBondContact O-N 3.04Å |
| 794 | E | 63.5 | Low | 77.6 | Confident | 134 Ų | 134 | 46.2 Ų | 46.2 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | trans | 54.3 | 16 | 179.6 | -59.1 | -171.5 | 170.7 | 0 | 0 | 114.4 | G791 | G791-E794 PolarHBondContact O-N 3.34Š| ||
| 795 | L | 67.1 | Low | 77.8 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 39% | 0.387 | 30% | 0.295 | S | S | . | . | trans | -117.2 | 92.3 | -172.7 | -172.3 | 98 | 0 | 0 | 0 | 110.4 | D793 V797 | D793-L795 PolarHBondContact O-N 3.04Å; L795-V797 HydrophobicContact CD2-CG2 3.39Å; L795-V797 HydrophobicContact CG-CG2 4.05Å; L795-V797 PolarHBondContact O-N 2.88Å | ||
| 796 | C | 68.6 | Low | 78 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.034 | 30% | 0.299 | C | S | . | . | trans | -64 | 106.9 | 173.7 | -77.8 | 0 | 0 | 0 | 0 | 109.9 | C790 E836 K915 | C790-C796 VanDerWaalsContact CA-SG 3.57Å; C790-C796 HydrophobicContact CB-CB 3.85Å; C790-C796 VanDerWaalsContact CB-N 3.29Å; C790-C796 WeakPolarHBondContact CB-SG 3.37Å; C790-C796 VanDerWaalsContact SG-CA 3.6Å; C790-C796 WeakPolarHBondContact SG-CB 2.99Å; C790-C796 PolarHBondContact SG-N 2.87Å; C790-C796 CovalentContact SG-SG 2.01Å; C790-C796 PolarHBondContact SG-SG 3Å; C796-E836 WeakPolarHBondContact CA-OE2 3.09Å; C796-K915 PolarHBondContact O-N 3.01Å | ||
| 797 | V | 81 | Confident | 78.2 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 100.2 | 169.9 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | L795 N835 E836 K915 E917 | L795-V797 HydrophobicContact CD2-CG2 3.39Å; L795-V797 HydrophobicContact CG-CG2 4.05Å; L795-V797 PolarHBondContact O-N 2.88Å; V797-N835 PolarHBondContact O-ND2 2.8Å; V797-E836 PolarHBondContact N-OE2 2.85Å; V797-E836 VanDerWaalsContact O-CB 3.27Å; V797-E836 WeakPolarHBondContact O-CB 3.25Å; V797-E836 WeakPolarHBondContact O-CG 3.35Å; V797-E836 PolarHBondContact O-N 2.96Å; V797-E836 VanDerWaalsContact O-N 3.11Å; V797-K915 VanDerWaalsContact CA-O 3.31Å; V797-K915 WeakPolarHBondContact CA-O 3.48Å; V797-E917 HydrophobicContact CG1-CB 3.98Å |
| 798 | N | 84.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 162.3 | 174.7 | 59.3 | -89.8 | 0 | 0 | 0 | 110.7 | A838 S912 G914 K915 E916 E917 | N798-A838 HydrophobicContact CB-CB 3.97Å; N798-S912 VanDerWaalsContact CG-OG 3.32Å; N798-S912 PolarHBondContact ND2-OG 2.8Å; N798-S912 PolarHBondContact OD1-OG 2.87Å; N798-S912 VanDerWaalsContact OD1-OG 3.12Å; N798-G914 VanDerWaalsContact OD1-C 3.24Å; N798-G914 WeakPolarHBondContact OD1-CA 3.32Å; N798-K915 PolarHBondContact N-O 3.46Å; N798-K915 VanDerWaalsContact N-O 3.08Å; N798-E916 PolarHBondContact ND2-OE1 2.78Å; N798-E916 PolarHBondContact ND2-OE2 3.41Å; N798-E917 PolarHBondContact O-N 2.86Å |
| 799 | D | 89.5 | Confident | 77.8 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | trans | -134.5 | 84.8 | 175.6 | -178 | 26.4 | 0 | 0 | 0 | 108.5 | N833 K834 N835 E916 E917 | D799-N833 PolarHBondContact N-OD1 3.41Å; D799-N833 CarbonylContact O-C 3.52Å; D799-N833 WeakPolarHBondContact O-CA 3.48Å; D799-K834 HydrophobicContact CB-CB 3.97Å; D799-K834 PolarHBondContact O-N 2.87Å; D799-K834 WeakPolarHBondContact OD2-CB 3.38Å; D799-K834 WeakPolarHBondContact OD2-CD 3.38Å; D799-N835 HydrophobicContact CB-CB 3.78Å; D799-E916 WeakPolarHBondContact CA-OE1 3.41Å; D799-E916 PolarHBondContact N-OE1 2.85Å; D799-E917 HydrophobicContact CB-CB 4.2Å | ||
| 800 | L | 91.6 | Very high | 77.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.2 | 176.7 | -65.9 | -179.7 | 0 | 0 | 0 | 109.9 | V831 K832 N833 A838 T841 L881 A910 E916 N922 | L800-V831 HydrophobicContact CD2-CG1 4.32Å; L800-K832 CarbonylContact C-O 3.53Å; L800-K832 WeakPolarHBondContact CA-O 3.3Å; L800-N833 HydrophobicContact CD2-CB 4.09Å; L800-A838 HydrophobicContact CD2-CB 3.89Å; L800-T841 HydrophobicContact CD1-CG2 4.16Å; L800-T841 HydrophobicContact CD2-CG2 4.1Å; L800-L881 HydrophobicContact CD2-CD2 3.97Å; L800-A910 HydrophobicContact CD1-CB 4.31Å; L800-E916 PolarHBondContact N-OE1 3.26Å; L800-N922 PolarHBondContact O-OD1 3.05Å |
| 801 | E | 93.6 | Very high | 77.9 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.7 | 173.3 | -178.3 | -177.6 | -126.6 | 0 | 0 | 108.7 | K803 V831 K832 K834 D921 | E801-K803 HydrophobicContact CG-CG 4.48Å; E801-K803 WeakPolarHBondContact OE1-CE 3.5Å; E801-K803 IonicContact OE1-NZ 2.86Å; E801-K803 PolarHBondContact OE1-NZ 2.65Å; E801-K803 WeakPolarHBondContact OE2-CE 3.35Å; E801-K803 IonicContact OE2-NZ 3.78Å; E801-K803 PolarHBondContact OE2-NZ 3.37Å; E801-V831 WeakPolarHBondContact O-CA 3.39Å; E801-K832 PolarHBondContact N-O 2.89Å; E801-K832 PolarHBondContact O-N 3Å; E801-K834 HydrophobicContact CB-CD 4.29Å; E801-K834 WeakPolarHBondContact OE1-CE 3.26Å; E801-K834 IonicContact OE1-NZ 3.28Å; E801-K834 PolarHBondContact OE1-NZ 2.8Å; E801-K834 WeakPolarHBondContact OE2-CE 3.43Å; E801-K834 IonicContact OE2-NZ 3.83Å; E801-D921 HydrophobicContact CG-CB 4.44Å; E801-D921 WeakPolarHBondContact CG-OD2 3.2Å |
| 802 | L | 94.3 | Very high | 78 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.9 | 176.8 | -177.7 | 67.7 | 0 | 0 | 0 | 110.4 | V804 V829 V831 V843 F908 A910 D921 N922 V924 | L802-V804 HydrophobicContact CD1-CG2 3.97Å; L802-V804 HydrophobicContact CD2-CG2 4.15Å; L802-V804 HydrophobicContact CG-CG2 3.88Å; L802-V829 HydrophobicContact CD1-CG1 3.79Å; L802-V831 HydrophobicContact CD1-CG2 3.83Å; L802-V843 HydrophobicContact CD1-CG1 4.44Å; L802-V843 HydrophobicContact CD1-CG2 4.47Å; L802-F908 HydrophobicContact CD2-CB 3.77Å; L802-A910 HydrophobicContact CB-CB 4.14Å; L802-A910 HydrophobicContact CD1-CB 4.41Å; L802-A910 HydrophobicContact CD2-CB 4.37Å; L802-D921 WeakPolarHBondContact CB-O 3.38Å; L802-D921 PolarHBondContact N-O 2.73Å; L802-N922 WeakPolarHBondContact CD2-O 3.38Å; L802-V924 HydrophobicContact CD2-CG2 4.25Å; L802-V924 HydrophobicContact CG-CG2 4.23Å; L802-V924 WeakPolarHBondContact O-CG2 3.47Å |
| 803 | K | 93.3 | Very high | 78.5 | Confident | 107 Ų | 107 | 65.6 Ų | 65.6 | 47% | 0.465 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.1 | 171.6 | -74.7 | 165.5 | 177.6 | 153.1 | 0 | 109.3 | E801 V830 | E801-K803 HydrophobicContact CG-CG 4.48Å; E801-K803 WeakPolarHBondContact OE1-CE 3.5Å; E801-K803 IonicContact OE1-NZ 2.86Å; E801-K803 PolarHBondContact OE1-NZ 2.65Å; E801-K803 WeakPolarHBondContact OE2-CE 3.35Å; E801-K803 IonicContact OE2-NZ 3.78Å; E801-K803 PolarHBondContact OE2-NZ 3.37Å; K803-V830 HydrophobicContact CB-CB 4.15Å; K803-V830 PolarHBondContact N-O 3.44Å; K803-V830 PolarHBondContact O-N 2.75Å |
| 804 | V | 92.6 | Very high | 79 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.097 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.3 | 177.1 | -170.2 | 0 | 0 | 0 | 0 | 110.3 | L802 F827 K828 V829 F908 V924 I926 | L802-V804 HydrophobicContact CD1-CG2 3.97Å; L802-V804 HydrophobicContact CD2-CG2 4.15Å; L802-V804 HydrophobicContact CG-CG2 3.88Å; V804-F827 HydrophobicContact CG1-CB 4.14Å; V804-F827 HydrophobicContact CG1-CD1 4.16Å; V804-K828 WeakPolarHBondContact CA-O 3.48Å; V804-V829 HydrophobicContact CG1-CG2 4.28Å; V804-V829 HydrophobicContact CG2-CG1 4.41Å; V804-V829 HydrophobicContact CG2-CG2 4.46Å; V804-F908 HydrophobicContact CB-CD2 4.39Å; V804-F908 HydrophobicContact CG1-CD2 3.89Å; V804-F908 HydrophobicContact CG1-CE1 4.44Å; V804-F908 HydrophobicContact CG1-CE2 3.77Å; V804-F908 HydrophobicContact CG1-CG 4.3Å; V804-F908 HydrophobicContact CG1-CZ 4.07Å; V804-F908 HydrophobicContact CG2-CB 3.92Å; V804-F908 HydrophobicContact CG2-CD1 4.32Å; V804-F908 HydrophobicContact CG2-CD2 4.13Å; V804-F908 HydrophobicContact CG2-CG 3.88Å; V804-V924 HydrophobicContact CB-CB 4.21Å; V804-V924 HydrophobicContact CB-CG1 4.06Å; V804-V924 HydrophobicContact CG2-CB 4.06Å; V804-V924 HydrophobicContact CG2-CG1 4.47Å; V804-V924 HydrophobicContact CG2-CG2 4.27Å; V804-I926 HydrophobicContact CB-CD1 4.1Å; V804-I926 HydrophobicContact CG1-CD1 3.69Å |
| 805 | K | 91.1 | Very high | 79.9 | Confident | 159 Ų | 159 | 58.9 Ų | 58.9 | 69% | 0.691 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.7 | 172.9 | -68.7 | -175.7 | 179.3 | 178.5 | 0 | 110.1 | K828 | K805-K828 PolarHBondContact N-O 2.79Å; K805-K828 PolarHBondContact O-N 3.47Å |
| 806 | A | 88.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 22% | 0.223 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 126.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R808 F827 I926 I928 | A806-R808 PolarHBondContact O-N 2.82Å; A806-R808 VanDerWaalsContact O-N 3.1Å; A806-F827 HydrophobicContact CB-CD1 3.99Å; A806-F827 HydrophobicContact CB-CE1 3.86Å; A806-I926 HydrophobicContact CB-CG2 4.5Å; A806-I928 HydrophobicContact CB-CD1 4.05Å |
| 807 | D | 83.2 | Confident | 81.6 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | trans | -83.2 | 81.7 | 179.1 | -158.6 | 31 | 0 | 0 | 0 | 109.1 | K826 K828 | D807-K826 HydrophobicContact CB-CB 3.91Å; D807-K826 PolarHBondContact N-O 2.73Å; D807-K828 IonicContact OD1-NZ 2.84Å; D807-K828 PolarHBondContact OD1-NZ 2.74Å; D807-K828 IonicContact OD2-NZ 2.58Å; D807-K828 PolarHBondContact OD2-NZ 3.44Å; D807-K828 VanDerWaalsContact OD2-NZ 3.15Å | ||
| 808 | R | 74.9 | Confident | 81.8 | Confident | 60 Ų | 60 | 58 Ų | 58 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | trans | -129.1 | 152.3 | 180 | 61.9 | 167.3 | 165 | 175 | -16.2 | 112.7 | A806 S811 S812 S814 | A806-R808 PolarHBondContact O-N 2.82Å; A806-R808 VanDerWaalsContact O-N 3.1Å; R808-S811 PolarHBondContact NH1-O 3.41Å; R808-S812 VanDerWaalsContact CZ-O 3.29Å; R808-S812 PolarHBondContact NH1-O 2.89Å; R808-S812 VanDerWaalsContact NH1-O 3.1Å; R808-S812 VanDerWaalsContact NH2-C 3.28Å; R808-S812 PolarHBondContact NH2-O 3.47Å; R808-S814 PolarHBondContact NH1-O 2.78Å | ||
| 809 | Q | 61.5 | Low | 81.6 | Confident | 200 Ų | 200 | 59.3 Ų | 59.3 | 94% | 0.935 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -85.1 | 120.5 | 168.8 | -69.1 | -178 | -4 | 0 | 0 | 109.3 | ||
| 810 | G | 63.2 | Low | 80.8 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 63% | 0.629 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 120.7 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 811 | S | 66.3 | Low | 80 | Confident | 62 Ų | 62 | 67 Ų | 67 | 43% | 0.434 | 39% | 0.385 | S | S | . | . | trans | -68.7 | 163.1 | 179.7 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | R808 S813 S814 | R808-S811 PolarHBondContact NH1-O 3.41Å; S811-S813 PolarHBondContact O-N 2.89Å; S811-S813 PolarHBondContact OG-OG 2.77Å; S811-S814 PolarHBondContact N-OG 2.89Å; S811-S814 PolarHBondContact O-N 3.46Å; S811-S814 PolarHBondContact O-OG 2.59Å; S811-S814 PolarHBondContact OG-N 3.09Å; S811-S814 PolarHBondContact OG-OG 2.89Å; S811-S814 VanDerWaalsContact OG-OG 3.1Å | ||
| 812 | S | 66.2 | Low | 79.4 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 70% | 0.699 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23 | 177.5 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | R808 | R808-S812 VanDerWaalsContact CZ-O 3.29Å; R808-S812 PolarHBondContact NH1-O 2.89Å; R808-S812 VanDerWaalsContact NH1-O 3.1Å; R808-S812 VanDerWaalsContact NH2-C 3.28Å; R808-S812 PolarHBondContact NH2-O 3.47Å |
| 813 | S | 68.3 | Low | 78.9 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -13.2 | -176.7 | 49.9 | 0 | 0 | 0 | 0 | 114.8 | S811 | S811-S813 PolarHBondContact O-N 2.89Å; S811-S813 PolarHBondContact OG-OG 2.77Å |
| 814 | S | 78 | Confident | 78.7 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -80.9 | 137 | -178.2 | 43.4 | 0 | 0 | 0 | 0 | 111.9 | R808 S811 | R808-S814 PolarHBondContact NH1-O 2.78Å; S811-S814 PolarHBondContact N-OG 2.89Å; S811-S814 PolarHBondContact O-N 3.46Å; S811-S814 PolarHBondContact O-OG 2.59Å; S811-S814 PolarHBondContact OG-N 3.09Å; S811-S814 PolarHBondContact OG-OG 2.89Å; S811-S814 VanDerWaalsContact OG-OG 3.1Å |
| 815 | P | 81.9 | Confident | 78.6 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 143.6 | 177.1 | 26 | -32.3 | 0 | 0 | 0 | 111.6 | P929 Q931 | P815-P929 CarbonylContact C-O 3.56Å; P815-P929 WeakPolarHBondContact CA-O 3.22Å; P815-P929 HydrophobicContact CB-CB 4.16Å; P815-P929 HydrophobicContact CB-CG 4.43Å; P815-Q931 HydrophobicContact CB-CG 3.91Å; P815-Q931 HydrophobicContact CG-CG 4.25Å |
| 816 | V | 85.8 | Confident | 78.6 | Confident | 26 Ų | 26 | 68 Ų | 68 | 16% | 0.158 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.7 | 171.8 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | F818 L825 I928 P929 Q931 | V816-F818 HydrophobicContact CG1-CE1 4.22Å; V816-F818 HydrophobicContact CG1-CZ 4.16Å; V816-L825 HydrophobicContact CG1-CD2 4.43Å; V816-I928 HydrophobicContact CB-CG2 4.07Å; V816-I928 HydrophobicContact CG2-CG2 3.46Å; V816-I928 VanDerWaalsContact CG2-CG2 3.46Å; V816-P929 PolarHBondContact N-O 2.83Å; V816-Q931 PolarHBondContact O-N 2.8Å |
| 817 | L | 84.8 | Confident | 78.8 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.7 | 177 | -174 | 68.8 | 0 | 0 | 0 | 109.7 | Q931 D933 I1108 | L817-Q931 CarbonylContact C-O 3.27Å; L817-Q931 WeakPolarHBondContact CA-O 3.38Å; L817-Q931 HydrophobicContact CD1-CB 3.91Å; L817-D933 HydrophobicContact CD1-CB 4.07Å; L817-D933 HydrophobicContact CD2-CB 4.18Å; L817-D933 HydrophobicContact CG-CB 4.09Å; L817-I1108 HydrophobicContact CD1-CB 4.3Å; L817-I1108 HydrophobicContact CD1-CG1 4.27Å |
| 818 | F | 84.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 146 | 170.6 | -66.8 | -67.2 | 0 | 0 | 0 | 111 | V816 N822 L825 Y895 F897 V930 Q931 F932 D933 | V816-F818 HydrophobicContact CG1-CE1 4.22Å; V816-F818 HydrophobicContact CG1-CZ 4.16Å; F818-N822 WeakPolarHBondContact CD1-O 3.31Å; F818-L825 HydrophobicContact CE1-CD2 3.99Å; F818-L825 HydrophobicContact CE1-CG 3.92Å; F818-L825 HydrophobicContact CZ-CD1 3.82Å; F818-L825 HydrophobicContact CZ-CD2 3.61Å; F818-L825 HydrophobicContact CZ-CG 3.54Å; F818-Y895 HydrophobicContact CD2-CD1 4.39Å; F818-Y895 AromaticContact CD2-CD2 3.81Å; F818-Y895 HydrophobicContact CD2-CD2 3.81Å; F818-Y895 HydrophobicContact CD2-CE2 4.34Å; F818-Y895 AromaticContact CD2-CG 3.83Å; F818-Y895 HydrophobicContact CD2-CG 3.83Å; F818-Y895 AromaticContact CE2-CD2 3.29Å; F818-Y895 HydrophobicContact CE2-CD2 3.29Å; F818-Y895 AromaticContact CE2-CE2 3.87Å; F818-Y895 HydrophobicContact CE2-CE2 3.87Å; F818-Y895 AromaticContact CE2-CG 3.75Å; F818-Y895 HydrophobicContact CE2-CG 3.75Å; F818-Y895 HydrophobicContact CG-CG 4.34Å; F818-Y895 AromaticContact CZ-CD2 3.76Å; F818-Y895 HydrophobicContact CZ-CD2 3.76Å; F818-Y895 HydrophobicContact CZ-CG 4.17Å; F818-F897 HydrophobicContact CB-CE1 4.07Å; F818-F897 HydrophobicContact CB-CZ 4.37Å; F818-V930 HydrophobicContact CD2-CG1 3.34Å; F818-V930 HydrophobicContact CE2-CB 4.25Å; F818-V930 HydrophobicContact CE2-CG1 3.46Å; F818-V930 VanDerWaalsContact CE2-CG1 3.46Å; F818-V930 HydrophobicContact CE2-CG2 3.8Å; F818-Q931 PolarHBondContact N-O 2.82Å; F818-F932 HydrophobicContact CB-CD1 4.04Å; F818-F932 HydrophobicContact CB-CE1 4.3Å; F818-F932 HydrophobicContact CD2-CE1 4.12Å; F818-F932 WeakPolarHBondContact O-CA 3.48Å; F818-D933 PolarHBondContact O-N 3.47Å |
| 819 | S | 80.6 | Confident | 80.2 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 20% | 0.203 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -135.1 | 169.6 | 172.4 | 73.4 | 0 | 0 | 0 | 0 | 109.5 | N821 N822 | S819-N821 PolarHBondContact O-N 3.34Å; S819-N821 PolarHBondContact OG-N 2.7Å; S819-N822 PolarHBondContact N-O 3.04Å; S819-N822 VanDerWaalsContact N-O 3.08Å; S819-N822 CarbonylContact O-C 3.58Å; S819-N822 PolarHBondContact O-N 2.58Å; S819-N822 VanDerWaalsContact O-O 3.04Å; S819-N822 PolarHBondContact OG-N 3.21Å |
| 820 | A | 72.3 | Confident | 81.7 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -27.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R823 M979 | A820-R823 PolarHBondContact O-NE 2.93Å; A820-R823 PolarHBondContact O-NH2 3.06Å; A820-M979 HydrophobicContact CB-CB 3.74Å |
| 821 | N | 75.5 | Confident | 83.2 | Confident | 155 Ų | 155 | 53.6 Ų | 53.6 | 83% | 0.829 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -9.5 | -177.4 | -62.4 | -20.9 | 0 | 0 | 0 | 113.9 | S819 | S819-N821 PolarHBondContact O-N 3.34Å; S819-N821 PolarHBondContact OG-N 2.7Å |
| 822 | N | 80.8 | Confident | 84.4 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -137.8 | 98.1 | 178.7 | -175.8 | 21.6 | 0 | 0 | 0 | 109.3 | F818 S819 | F818-N822 WeakPolarHBondContact CD1-O 3.31Å; S819-N822 PolarHBondContact N-O 3.04Å; S819-N822 VanDerWaalsContact N-O 3.08Å; S819-N822 CarbonylContact O-C 3.58Å; S819-N822 PolarHBondContact O-N 2.58Å; S819-N822 VanDerWaalsContact O-O 3.04Å; S819-N822 PolarHBondContact OG-N 3.21Å |
| 823 | R | 84.9 | Confident | 85.6 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | trans | -117.9 | -6.5 | -175 | -53.6 | -176.2 | -168.1 | -154.8 | -5.4 | 113.3 | A820 D894 Y895 F897 | A820-R823 PolarHBondContact O-NE 2.93Å; A820-R823 PolarHBondContact O-NH2 3.06Å; R823-D894 WeakPolarHBondContact O-CA 3.38Å; R823-Y895 PolarHBondContact O-N 2.79Å; R823-F897 HydrophobicContact CG-CE2 3.92Å; R823-F897 HydrophobicContact CG-CZ 3.91Å; R823-F897 VanDerWaalsContact CZ-CE2 3.41Å | ||
| 824 | E | 88.8 | Confident | 86.6 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 40% | 0.397 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.3 | -168.9 | -69.2 | 178.5 | 169.4 | 0 | 0 | 111.7 | K826 T892 F893 D894 | E824-K826 WeakPolarHBondContact OE2-CE 3.27Å; E824-K826 IonicContact OE2-NZ 3.75Å; E824-K826 PolarHBondContact OE2-NZ 2.82Å; E824-T892 HydrophobicContact CB-CG2 4.06Å; E824-T892 HydrophobicContact CG-CG2 4.02Å; E824-F893 CarbonylContact C-O 3.58Å; E824-F893 WeakPolarHBondContact CA-O 3.5Å; E824-D894 VanDerWaalsContact CG-OD1 3.28Å; E824-D894 WeakPolarHBondContact CG-OD1 3.13Å |
| 825 | L | 89.8 | Confident | 87 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119 | 162.4 | -71.8 | 176.9 | 0 | 0 | 0 | 109.2 | V816 F818 F827 L851 T892 F893 A904 I928 | V816-L825 HydrophobicContact CG1-CD2 4.43Å; F818-L825 HydrophobicContact CE1-CD2 3.99Å; F818-L825 HydrophobicContact CE1-CG 3.92Å; F818-L825 HydrophobicContact CZ-CD1 3.82Å; F818-L825 HydrophobicContact CZ-CD2 3.61Å; F818-L825 HydrophobicContact CZ-CG 3.54Å; L825-F827 HydrophobicContact CB-CE2 3.78Å; L825-F827 HydrophobicContact CB-CZ 4.39Å; L825-L851 HydrophobicContact CD1-CD1 4.5Å; L825-L851 HydrophobicContact CD1-CD2 3.79Å; L825-T892 CarbonylContact O-C 3.56Å; L825-T892 WeakPolarHBondContact O-CA 3.33Å; L825-F893 PolarHBondContact N-O 3.29Å; L825-F893 PolarHBondContact O-N 3.46Å; L825-A904 HydrophobicContact CD1-CB 3.88Å; L825-I928 HydrophobicContact CD1-CD1 4.3Å; L825-I928 HydrophobicContact CD2-CD1 4.04Å |
| 826 | K | 91.8 | Very high | 87.2 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 32% | 0.317 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.9 | -178.7 | -70.6 | 170.3 | 179.7 | 160.1 | 0 | 109.9 | D807 E824 Q890 T892 | D807-K826 HydrophobicContact CB-CB 3.91Å; D807-K826 PolarHBondContact N-O 2.73Å; E824-K826 WeakPolarHBondContact OE2-CE 3.27Å; E824-K826 IonicContact OE2-NZ 3.75Å; E824-K826 PolarHBondContact OE2-NZ 2.82Å; K826-Q890 HydrophobicContact CB-CG 4.33Å; K826-T892 HydrophobicContact CG-CG2 3.95Å |
| 827 | F | 92.8 | Very high | 87 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.9 | 177.6 | -64.2 | -92.2 | 0 | 0 | 0 | 109.3 | V804 A806 L825 Q890 I891 F893 V906 F908 I926 I928 | V804-F827 HydrophobicContact CG1-CB 4.14Å; V804-F827 HydrophobicContact CG1-CD1 4.16Å; A806-F827 HydrophobicContact CB-CD1 3.99Å; A806-F827 HydrophobicContact CB-CE1 3.86Å; L825-F827 HydrophobicContact CB-CE2 3.78Å; L825-F827 HydrophobicContact CB-CZ 4.39Å; F827-Q890 CarbonylContact O-C 3.54Å; F827-Q890 VanDerWaalsContact O-CA 3.28Å; F827-Q890 WeakPolarHBondContact O-CA 3.47Å; F827-Q890 WeakPolarHBondContact O-CG 3.49Å; F827-I891 PolarHBondContact N-O 2.94Å; F827-I891 PolarHBondContact O-N 2.84Å; F827-F893 AromaticContact CD2-CD2 3.66Å; F827-F893 HydrophobicContact CD2-CD2 3.66Å; F827-F893 AromaticContact CD2-CE2 3.88Å; F827-F893 HydrophobicContact CD2-CE2 3.88Å; F827-F893 AromaticContact CE2-CD2 3.64Å; F827-F893 HydrophobicContact CE2-CD2 3.64Å; F827-F893 HydrophobicContact CE2-CE2 4.1Å; F827-V906 HydrophobicContact CE2-CG2 4.06Å; F827-V906 HydrophobicContact CZ-CB 4.32Å; F827-V906 HydrophobicContact CZ-CG2 3.84Å; F827-F908 HydrophobicContact CB-CE1 4.43Å; F827-F908 HydrophobicContact CB-CE2 4.42Å; F827-F908 HydrophobicContact CB-CZ 3.72Å; F827-F908 AromaticContact CD1-CE2 3.85Å; F827-F908 HydrophobicContact CD1-CE2 3.85Å; F827-F908 AromaticContact CD1-CZ 3.93Å; F827-F908 HydrophobicContact CD1-CZ 3.93Å; F827-F908 HydrophobicContact CD2-CZ 4.15Å; F827-F908 HydrophobicContact CE1-CE2 4.25Å; F827-F908 HydrophobicContact CG-CE2 4.09Å; F827-F908 AromaticContact CG-CZ 3.67Å; F827-F908 HydrophobicContact CG-CZ 3.67Å; F827-I926 HydrophobicContact CD1-CD1 3.88Å; F827-I926 HydrophobicContact CE1-CB 4.2Å; F827-I926 HydrophobicContact CE1-CD1 3.95Å; F827-I926 HydrophobicContact CE1-CG2 4.13Å; F827-I928 HydrophobicContact CE1-CD1 4.05Å; F827-I928 HydrophobicContact CZ-CD1 3.81Å |
| 828 | K | 93.5 | Very high | 86.9 | Confident | 95 Ų | 95 | 46 Ų | 46 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 117 | 171.1 | -71.5 | 170.2 | 179.6 | 154.5 | 0 | 107.8 | V804 K805 D807 | V804-K828 WeakPolarHBondContact CA-O 3.48Å; K805-K828 PolarHBondContact N-O 2.79Å; K805-K828 PolarHBondContact O-N 3.47Å; D807-K828 IonicContact OD1-NZ 2.84Å; D807-K828 PolarHBondContact OD1-NZ 2.74Å; D807-K828 IonicContact OD2-NZ 2.58Å; D807-K828 PolarHBondContact OD2-NZ 3.44Å; D807-K828 VanDerWaalsContact OD2-NZ 3.15Å |
| 829 | V | 93.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.8 | -176.7 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | L802 V804 V831 V843 F889 I891 F908 | L802-V829 HydrophobicContact CD1-CG1 3.79Å; V804-V829 HydrophobicContact CG1-CG2 4.28Å; V804-V829 HydrophobicContact CG2-CG1 4.41Å; V804-V829 HydrophobicContact CG2-CG2 4.46Å; V829-V831 HydrophobicContact CG1-CG2 4.3Å; V829-V843 HydrophobicContact CG1-CG1 4.24Å; V829-F889 HydrophobicContact CB-CD1 4.35Å; V829-F889 HydrophobicContact CB-CD2 4.42Å; V829-F889 HydrophobicContact CB-CE1 4.01Å; V829-F889 HydrophobicContact CB-CE2 4.11Å; V829-F889 HydrophobicContact CB-CZ 3.89Å; V829-F889 HydrophobicContact CG1-CD1 4.47Å; V829-F889 HydrophobicContact CG1-CE1 3.71Å; V829-F889 HydrophobicContact CG1-CE2 4.25Å; V829-F889 HydrophobicContact CG1-CZ 3.58Å; V829-F889 HydrophobicContact CG2-CE2 4.41Å; V829-F889 PolarHBondContact N-O 2.85Å; V829-F889 PolarHBondContact O-N 3.39Å; V829-F889 VanDerWaalsContact O-O 3.12Å; V829-I891 HydrophobicContact CG2-CD1 4.44Å; V829-I891 HydrophobicContact CG2-CG1 4.19Å; V829-F908 HydrophobicContact CG2-CD1 4.18Å; V829-F908 HydrophobicContact CG2-CE1 3.87Å |
| 830 | V | 93.1 | Very high | 86.4 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.2 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | K803 E886 N888 | K803-V830 HydrophobicContact CB-CB 4.15Å; K803-V830 PolarHBondContact N-O 3.44Å; K803-V830 PolarHBondContact O-N 2.75Å; V830-E886 HydrophobicContact CG1-CG 3.63Å; V830-N888 WeakPolarHBondContact CB-OD1 3.44Å; V830-N888 WeakPolarHBondContact CG1-OD1 3.49Å; V830-N888 WeakPolarHBondContact CG2-OD1 3.33Å |
| 831 | V | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123 | 173.9 | -173.4 | 0 | 0 | 0 | 0 | 108 | L800 E801 L802 V829 T841 V843 L881 E886 V887 F889 | L800-V831 HydrophobicContact CD2-CG1 4.32Å; E801-V831 WeakPolarHBondContact O-CA 3.39Å; L802-V831 HydrophobicContact CD1-CG2 3.83Å; V829-V831 HydrophobicContact CG1-CG2 4.3Å; V831-T841 HydrophobicContact CG1-CG2 4.36Å; V831-V843 HydrophobicContact CG2-CG2 3.36Å; V831-L881 HydrophobicContact CG1-CD2 4.05Å; V831-E886 WeakPolarHBondContact O-CA 3.36Å; V831-V887 PolarHBondContact N-O 3.1Å; V831-V887 PolarHBondContact O-N 2.55Å; V831-F889 HydrophobicContact CG2-CE1 4.34Å |
| 832 | K | 92.3 | Very high | 87.5 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.8 | 175 | -178.2 | 175.6 | 178.9 | 179 | 0 | 109.8 | L800 E801 K834 Q885 E886 | L800-K832 CarbonylContact C-O 3.53Å; L800-K832 WeakPolarHBondContact CA-O 3.3Å; E801-K832 PolarHBondContact N-O 2.89Å; E801-K832 PolarHBondContact O-N 3Å; K832-K834 HydrophobicContact CD-CG 4.41Å; K832-K834 HydrophobicContact CG-CG 4.44Å; K832-Q885 WeakPolarHBondContact CA-O 3.21Å; K832-E886 HydrophobicContact CB-CB 4.26Å; K832-E886 HydrophobicContact CB-CG 4.2Å; K832-E886 HydrophobicContact CG-CB 4.26Å |
| 833 | N | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.1 | 168 | -179.4 | 19.8 | 0 | 0 | 0 | 109.6 | D799 L800 N835 E836 A838 L881 K882 D884 Q885 | D799-N833 PolarHBondContact N-OD1 3.41Å; D799-N833 CarbonylContact O-C 3.52Å; D799-N833 WeakPolarHBondContact O-CA 3.48Å; L800-N833 HydrophobicContact CD2-CB 4.09Å; N833-N835 PolarHBondContact OD1-N 3.09Å; N833-E836 PolarHBondContact ND2-O 3Å; N833-E836 PolarHBondContact OD1-O 3.12Å; N833-A838 PolarHBondContact ND2-N 3.03Å; N833-L881 HydrophobicContact CB-CD2 3.81Å; N833-L881 HydrophobicContact CB-CG 3.94Å; N833-L881 PolarHBondContact ND2-O 2.8Å; N833-K882 PolarHBondContact ND2-O 2.86Å; N833-D884 WeakPolarHBondContact O-CA 3.24Å; N833-D884 PolarHBondContact O-N 2.75Å; N833-Q885 PolarHBondContact N-O 3.43Å |
| 834 | K | 89.1 | Confident | 88.3 | Confident | 62 Ų | 62 | 33.8 Ų | 33.8 | 27% | 0.27 | 16% | 0.161 | S | C | . | . | trans | -95.7 | -13.2 | -176.3 | -64.4 | 159.8 | 175.1 | 165 | 0 | 113.3 | D799 E801 K832 D921 | D799-K834 HydrophobicContact CB-CB 3.97Å; D799-K834 PolarHBondContact O-N 2.87Å; D799-K834 WeakPolarHBondContact OD2-CB 3.38Å; D799-K834 WeakPolarHBondContact OD2-CD 3.38Å; E801-K834 HydrophobicContact CB-CD 4.29Å; E801-K834 WeakPolarHBondContact OE1-CE 3.26Å; E801-K834 IonicContact OE1-NZ 3.28Å; E801-K834 PolarHBondContact OE1-NZ 2.8Å; E801-K834 WeakPolarHBondContact OE2-CE 3.43Å; E801-K834 IonicContact OE2-NZ 3.83Å; K832-K834 HydrophobicContact CD-CG 4.41Å; K832-K834 HydrophobicContact CG-CG 4.44Å; K834-D921 IonicContact NZ-OD2 3Å; K834-D921 PolarHBondContact NZ-OD2 2.84Å | ||
| 835 | N | 86.9 | Confident | 88.4 | Confident | 38 Ų | 38 | 29.7 Ų | 29.7 | 20% | 0.203 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -125 | -139.9 | -177.1 | -154.3 | 0.2 | 0 | 0 | 0 | 112.2 | V797 D799 N833 K883 E917 | V797-N835 PolarHBondContact O-ND2 2.8Å; D799-N835 HydrophobicContact CB-CB 3.78Å; N833-N835 PolarHBondContact OD1-N 3.09Å; N835-K883 VanDerWaalsContact O-CA 3.24Å; N835-K883 WeakPolarHBondContact O-CA 3.29Å; N835-K883 WeakPolarHBondContact O-CB 3.37Å; N835-K883 WeakPolarHBondContact O-CD 3.46Å; N835-K883 WeakPolarHBondContact O-CG 3.46Å; N835-E917 PolarHBondContact ND2-OE2 2.88Å |
| 836 | E | 85.1 | Confident | 88.5 | Confident | 63 Ų | 63 | 32.6 Ų | 32.6 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -66.1 | 165.5 | -174.1 | -58.1 | -177.4 | 151.3 | 0 | 0 | 113.2 | C796 V797 N833 A838 | C796-E836 WeakPolarHBondContact CA-OE2 3.09Å; V797-E836 PolarHBondContact N-OE2 2.85Å; V797-E836 VanDerWaalsContact O-CB 3.27Å; V797-E836 WeakPolarHBondContact O-CB 3.25Å; V797-E836 WeakPolarHBondContact O-CG 3.35Å; V797-E836 PolarHBondContact O-N 2.96Å; V797-E836 VanDerWaalsContact O-N 3.11Å; N833-E836 PolarHBondContact ND2-O 3Å; N833-E836 PolarHBondContact OD1-O 3.12Å; E836-A838 PolarHBondContact O-N 2.89Å |
| 837 | N | 82.9 | Confident | 88.4 | Confident | 60 Ų | 60 | 29.6 Ų | 29.6 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | trans | -53.6 | 125.7 | -177.3 | -69.1 | -23.5 | 0 | 0 | 0 | 112.4 | Y839 V880 K882 K883 | N837-Y839 HydrophobicContact CB-CE2 3.88Å; N837-Y839 WeakPolarHBondContact O-CD2 3.44Å; N837-V880 HydrophobicContact CB-CG1 3.79Å; N837-K882 WeakPolarHBondContact OD1-CA 3.48Å; N837-K883 PolarHBondContact OD1-N 3.24Å | ||
| 838 | A | 80.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N798 L800 N833 E836 T841 L881 | N798-A838 HydrophobicContact CB-CB 3.97Å; L800-A838 HydrophobicContact CD2-CB 3.89Å; N833-A838 PolarHBondContact ND2-N 3.03Å; E836-A838 PolarHBondContact O-N 2.89Å; A838-T841 WeakPolarHBondContact CB-OG1 3.2Å; A838-T841 PolarHBondContact O-OG1 3.31Å; A838-T841 VanDerWaalsContact O-OG1 3.09Å; A838-L881 HydrophobicContact CB-CB 4.32Å; A838-L881 PolarHBondContact N-O 2.81Å; A838-L881 PolarHBondContact O-N 2.96Å |
| 839 | Y | 79.3 | Confident | 87.6 | Confident | 29 Ų | 29 | 30.9 Ų | 30.9 | 11% | 0.114 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 142.8 | 179.9 | -65.5 | -93.5 | 0 | 0 | 0 | 111.3 | K788 D789 N837 T841 V880 S912 D913 | K788-Y839 HydrophobicContact CB-CD1 4.08Å; K788-Y839 HydrophobicContact CB-CD2 3.58Å; K788-Y839 HydrophobicContact CB-CE1 4.15Å; K788-Y839 HydrophobicContact CB-CE2 3.66Å; K788-Y839 HydrophobicContact CB-CG 3.82Å; K788-Y839 HydrophobicContact CD-CD1 3.78Å; K788-Y839 HydrophobicContact CD-CD2 4.46Å; K788-Y839 HydrophobicContact CD-CE1 4.43Å; K788-Y839 HydrophobicContact CD-CG 3.81Å; K788-Y839 HydrophobicContact CG-CD1 4.03Å; K788-Y839 HydrophobicContact CG-CD2 3.8Å; K788-Y839 HydrophobicContact CG-CE2 4.38Å; K788-Y839 HydrophobicContact CG-CG 3.62Å; D789-Y839 PolarHBondContact O-OH 2.79Å; D789-Y839 VanDerWaalsContact O-OH 3.07Å; N837-Y839 HydrophobicContact CB-CE2 3.88Å; N837-Y839 WeakPolarHBondContact O-CD2 3.44Å; Y839-T841 VanDerWaalsContact C-N 3.25Å; Y839-T841 PolarHBondContact O-N 3.28Å; Y839-V880 HydrophobicContact CD1-CB 4.45Å; Y839-V880 HydrophobicContact CD1-CG1 4.32Å; Y839-V880 HydrophobicContact CD1-CG2 3.47Å; Y839-V880 VanDerWaalsContact CD1-CG2 3.47Å; Y839-V880 HydrophobicContact CE1-CB 4.49Å; Y839-V880 HydrophobicContact CE1-CG1 4.17Å; Y839-V880 HydrophobicContact CE1-CG2 3.47Å; Y839-V880 VanDerWaalsContact CE1-CG2 3.47Å; Y839-V880 HydrophobicContact CG-CG2 4.43Å; Y839-S912 WeakPolarHBondContact O-CB 3.47Å; Y839-D913 PolarHBondContact O-N 2.81Å |
| 840 | N | 75.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 10% | 0.102 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 43.7 | 178.2 | -168.7 | 24.9 | 0 | 0 | 0 | 112.9 | Q842 A879 D913 | N840-Q842 PolarHBondContact ND2-NE2 2.73Å; N840-Q842 PolarHBondContact O-N 3.43Å; N840-Q842 PolarHBondContact OD1-NE2 3.35Å; N840-Q842 VanDerWaalsContact OD1-NE2 3.12Å; N840-A879 PolarHBondContact N-O 2.75Å; N840-D913 WeakPolarHBondContact CB-OD2 3.42Å; N840-D913 PolarHBondContact ND2-OD1 3.35Å |
| 841 | T | 84.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | trans | -63.4 | 127 | -178.9 | -59 | 0 | 0 | 0 | 0 | 110.2 | L800 V831 A838 Y839 V876 L881 R911 | L800-T841 HydrophobicContact CD1-CG2 4.16Å; L800-T841 HydrophobicContact CD2-CG2 4.1Å; V831-T841 HydrophobicContact CG1-CG2 4.36Å; A838-T841 WeakPolarHBondContact CB-OG1 3.2Å; A838-T841 PolarHBondContact O-OG1 3.31Å; A838-T841 VanDerWaalsContact O-OG1 3.09Å; Y839-T841 VanDerWaalsContact C-N 3.25Å; Y839-T841 PolarHBondContact O-N 3.28Å; T841-V876 HydrophobicContact CG2-CB 4.29Å; T841-V876 PolarHBondContact O-N 3.38Å; T841-L881 HydrophobicContact CG2-CD2 4.02Å; T841-R911 CarbonylContact C-O 3.19Å; T841-R911 WeakPolarHBondContact CA-O 3.45Å | ||
| 842 | Q | 88.1 | Confident | 86.7 | Confident | 62 Ų | 62 | 34.6 Ų | 34.6 | 29% | 0.29 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.7 | -178.6 | -68.6 | 175.4 | 28.9 | 0 | 0 | 110.5 | N840 T873 C874 A910 R911 | N840-Q842 PolarHBondContact ND2-NE2 2.73Å; N840-Q842 PolarHBondContact O-N 3.43Å; N840-Q842 PolarHBondContact OD1-NE2 3.35Å; N840-Q842 VanDerWaalsContact OD1-NE2 3.12Å; Q842-T873 HydrophobicContact CB-CG2 4.15Å; Q842-T873 HydrophobicContact CG-CG2 4.28Å; Q842-C874 CarbonylContact C-O 3.23Å; Q842-C874 VanDerWaalsContact CA-O 3.32Å; Q842-C874 WeakPolarHBondContact CA-O 3.15Å; Q842-A910 CarbonylContact O-C 3.55Å; Q842-A910 WeakPolarHBondContact O-CA 3.26Å; Q842-R911 PolarHBondContact N-O 3.49Å; Q842-R911 PolarHBondContact O-N 2.87Å |
| 843 | V | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.9 | 165.1 | -179.6 | 0 | 0 | 0 | 0 | 108 | L802 V829 V831 C874 V876 F889 F908 E909 A910 | L802-V843 HydrophobicContact CD1-CG1 4.44Å; L802-V843 HydrophobicContact CD1-CG2 4.47Å; V829-V843 HydrophobicContact CG1-CG1 4.24Å; V831-V843 HydrophobicContact CG2-CG2 3.36Å; V843-C874 PolarHBondContact N-O 2.79Å; V843-C874 PolarHBondContact O-N 2.87Å; V843-V876 HydrophobicContact CG2-CG2 3.94Å; V843-F889 HydrophobicContact CB-CZ 4.15Å; V843-F889 HydrophobicContact CG1-CZ 4.44Å; V843-F889 HydrophobicContact CG2-CE1 4.48Å; V843-F889 HydrophobicContact CG2-CZ 4.15Å; V843-F908 HydrophobicContact CG1-CD1 4.38Å; V843-E909 WeakPolarHBondContact CA-O 3.26Å; V843-A910 HydrophobicContact CG2-CB 4.36Å |
| 844 | S | 90.6 | Very high | 86.3 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 137.8 | 171.1 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | V872 F908 E909 | S844-V872 WeakPolarHBondContact CA-O 3.37Å; S844-F908 CarbonylContact O-C 3.52Å; S844-F908 VanDerWaalsContact O-CA 3.29Å; S844-F908 WeakPolarHBondContact O-CA 3.29Å; S844-E909 PolarHBondContact N-O 2.88Å; S844-E909 PolarHBondContact O-N 3.02Å; S844-E909 PolarHBondContact OG-O 2.94Å |
| 845 | A | 92.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 113.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | T871 V872 I891 F893 V906 K907 F908 | A845-T871 WeakPolarHBondContact O-CA 3.24Å; A845-V872 HydrophobicContact CB-CG1 3.78Å; A845-V872 PolarHBondContact N-O 3.48Å; A845-V872 PolarHBondContact O-N 3.38Å; A845-V872 VanDerWaalsContact O-N 3.07Å; A845-I891 HydrophobicContact CB-CD1 4.4Å; A845-F893 HydrophobicContact CB-CZ 4.08Å; A845-V906 HydrophobicContact CB-CG1 4.14Å; A845-K907 WeakPolarHBondContact CA-O 3.17Å; A845-F908 HydrophobicContact CB-CD1 3.68Å; A845-F908 HydrophobicContact CB-CE1 3.64Å; A845-F908 HydrophobicContact CB-CG 4.4Å; A845-F908 HydrophobicContact CB-CZ 4.32Å |
| 846 | V | 90.9 | Very high | 86.4 | Confident | 71 Ų | 71 | 36 Ų | 36 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.2 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | T871 V906 K907 | V846-T871 HydrophobicContact CG2-CG2 4.05Å; V846-V906 WeakPolarHBondContact O-CA 3.36Å; V846-K907 PolarHBondContact N-O 2.75Å; V846-K907 PolarHBondContact O-N 3.38Å |
| 847 | F | 90.6 | Very high | 86.3 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.6 | -172.6 | 52.8 | -90.4 | 0 | 0 | 0 | 112.6 | L851 N870 V872 F893 V905 V906 | F847-L851 HydrophobicContact CB-CB 4.31Å; F847-L851 HydrophobicContact CB-CD1 4.1Å; F847-L851 HydrophobicContact CD2-CB 3.96Å; F847-L851 WeakPolarHBondContact CD2-O 3.37Å; F847-L851 WeakPolarHBondContact CE2-O 2.96Å; F847-L851 HydrophobicContact CG-CB 4.49Å; F847-N870 WeakPolarHBondContact CD1-O 3.49Å; F847-N870 WeakPolarHBondContact CE1-O 3.25Å; F847-N870 HydrophobicContact CE2-CB 4.44Å; F847-N870 VanDerWaalsContact CZ-C 3.46Å; F847-N870 PolarHBondContact N-O 3.14Å; F847-N870 VanDerWaalsContact N-O 3.16Å; F847-N870 PolarHBondContact O-ND2 3.01Å; F847-V872 HydrophobicContact CE1-CB 4.48Å; F847-V872 HydrophobicContact CE1-CG1 4.33Å; F847-F893 HydrophobicContact CB-CD1 4.48Å; F847-F893 HydrophobicContact CB-CE1 4.17Å; F847-F893 HydrophobicContact CD1-CD1 4.13Å; F847-F893 AromaticContact CD1-CE1 3.33Å; F847-F893 HydrophobicContact CD1-CE1 3.33Å; F847-F893 HydrophobicContact CD1-CZ 4.02Å; F847-F893 HydrophobicContact CD2-CD1 4.49Å; F847-F893 HydrophobicContact CD2-CE1 4.45Å; F847-F893 HydrophobicContact CE1-CD1 4.47Å; F847-F893 AromaticContact CE1-CE1 3.72Å; F847-F893 HydrophobicContact CE1-CE1 3.72Å; F847-F893 HydrophobicContact CG-CD1 4.13Å; F847-F893 AromaticContact CG-CE1 3.74Å; F847-F893 HydrophobicContact CG-CE1 3.74Å; F847-F893 HydrophobicContact CZ-CE1 4.42Å; F847-V905 WeakPolarHBondContact CA-O 3.3Å; F847-V906 HydrophobicContact CB-CG1 4.36Å; F847-V906 HydrophobicContact CB-CG2 4.16Å |
| 848 | S | 88.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 38 Ų | 38 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | trans | -66.4 | 160 | 178.1 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | N850 L851 V905 | S848-N850 WeakPolarHBondContact CB-OD1 3.47Å; S848-N850 PolarHBondContact O-N 3.27Å; S848-N850 VanDerWaalsContact O-N 3.15Å; S848-N850 PolarHBondContact OG-OD1 2.87Å; S848-L851 PolarHBondContact O-N 2.93Å; S848-V905 PolarHBondContact N-O 2.81Å; S848-V905 PolarHBondContact OG-N 2.75Å; S848-V905 PolarHBondContact OG-O 2.74Å | ||
| 849 | N | 81.6 | Confident | 85.1 | Confident | 102 Ų | 102 | 40.6 Ų | 40.6 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.6 | -172.3 | -69.6 | -37.4 | 0 | 0 | 0 | 114.3 | L851 N870 | N849-L851 PolarHBondContact O-N 3.42Å; N849-N870 PolarHBondContact OD1-ND2 3.39Å |
| 850 | N | 83.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1.8 | 174.7 | 63.2 | -18.1 | 0 | 0 | 0 | 114.1 | S848 Y895 S896 S899 E901 Q903 | S848-N850 WeakPolarHBondContact CB-OD1 3.47Å; S848-N850 PolarHBondContact O-N 3.27Å; S848-N850 VanDerWaalsContact O-N 3.15Å; S848-N850 PolarHBondContact OG-OD1 2.87Å; N850-Y895 HydrophobicContact CB-CE1 4.06Å; N850-Y895 HydrophobicContact CB-CE2 3.96Å; N850-Y895 WeakPolarHBondContact CB-OH 3.48Å; N850-Y895 WeakPolarHBondContact ND2-CE2 3.4Å; N850-Y895 VanDerWaalsContact ND2-CZ 3.3Å; N850-Y895 PolarHBondContact ND2-OH 3.02Å; N850-S896 WeakPolarHBondContact O-CB 3.5Å; N850-S896 PolarHBondContact O-N 3.45Å; N850-S899 WeakPolarHBondContact CB-O 3.35Å; N850-E901 HydrophobicContact CB-CB 4.1Å; N850-E901 HydrophobicContact CB-CG 4.31Å; N850-Q903 PolarHBondContact ND2-O 2.76Å |
| 851 | L | 87.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.7 | 176.4 | -62.7 | 179.1 | 0 | 0 | 0 | 111.5 | L825 F847 S848 N849 F893 Y895 A904 V906 | L825-L851 HydrophobicContact CD1-CD1 4.5Å; L825-L851 HydrophobicContact CD1-CD2 3.79Å; F847-L851 HydrophobicContact CB-CB 4.31Å; F847-L851 HydrophobicContact CB-CD1 4.1Å; F847-L851 HydrophobicContact CD2-CB 3.96Å; F847-L851 WeakPolarHBondContact CD2-O 3.37Å; F847-L851 WeakPolarHBondContact CE2-O 2.96Å; F847-L851 HydrophobicContact CG-CB 4.49Å; S848-L851 PolarHBondContact O-N 2.93Å; N849-L851 PolarHBondContact O-N 3.42Å; L851-F893 HydrophobicContact CB-CB 4.41Å; L851-F893 HydrophobicContact CD2-CB 4.43Å; L851-Y895 HydrophobicContact CD2-CD2 3.64Å; L851-Y895 HydrophobicContact CD2-CE2 4.26Å; L851-Y895 HydrophobicContact CD2-CG 4.4Å; L851-A904 HydrophobicContact CD1-CB 4.12Å; L851-A904 HydrophobicContact CD2-CB 4.13Å; L851-A904 HydrophobicContact CG-CB 4.32Å; L851-V906 HydrophobicContact CD1-CG2 3.52Å |
| 852 | F | 88.4 | Confident | 84.3 | Confident | 107 Ų | 107 | 50.6 Ų | 50.6 | 47% | 0.469 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136 | 169.1 | -62.7 | -67 | 0 | 0 | 0 | 109.9 | S854 F893 D894 S896 | F852-S854 PolarHBondContact O-N 2.94Å; F852-F893 CarbonylContact O-C 3.6Å; F852-F893 WeakPolarHBondContact O-CA 3.15Å; F852-D894 PolarHBondContact N-O 3.05Å; F852-D894 PolarHBondContact O-N 3.49Å; F852-S896 WeakPolarHBondContact CE2-OG 3.39Å |
| 853 | Y | 89 | Confident | 84 | Confident | 66 Ų | 66 | 54 Ų | 54 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 118.4 | 169 | 171.9 | -105.1 | 0 | 0 | 0 | 109.4 | S855 A856 V872 I891 F893 | Y853-S855 WeakPolarHBondContact CE2-O 3.31Å; Y853-A856 HydrophobicContact CE2-CB 4.22Å; Y853-A856 WeakPolarHBondContact OH-CB 3.26Å; Y853-A856 PolarHBondContact OH-N 2.8Å; Y853-A856 VanDerWaalsContact OH-N 3.14Å; Y853-V872 HydrophobicContact CD1-CG2 4.46Å; Y853-V872 HydrophobicContact CD2-CB 4Å; Y853-V872 HydrophobicContact CD2-CG1 3.94Å; Y853-V872 HydrophobicContact CD2-CG2 3.87Å; Y853-V872 HydrophobicContact CE1-CG2 4.33Å; Y853-V872 HydrophobicContact CE2-CB 4.35Å; Y853-V872 HydrophobicContact CE2-CG1 4.36Å; Y853-V872 HydrophobicContact CE2-CG2 3.73Å; Y853-V872 HydrophobicContact CG-CB 4.24Å; Y853-V872 HydrophobicContact CG-CG2 4.23Å; Y853-I891 HydrophobicContact CD2-CG2 4.12Å; Y853-I891 HydrophobicContact CE2-CG2 4.02Å; Y853-F893 HydrophobicContact CD2-CE1 4.3Å |
| 854 | S | 87.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -58.8 | -179.2 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | F852 T892 D894 | F852-S854 PolarHBondContact O-N 2.94Å; S854-T892 WeakPolarHBondContact CB-O 3.46Å; S854-T892 PolarHBondContact N-O 2.62Å; S854-D894 WeakPolarHBondContact CB-OD2 3.32Å; S854-D894 PolarHBondContact OG-OD2 2.81Å |
| 855 | S | 89 | Confident | 83.1 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 166.7 | -178.4 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | Y853 T892 | Y853-S855 WeakPolarHBondContact CE2-O 3.31Å; S855-T892 PolarHBondContact N-O 3.29Å; S855-T892 PolarHBondContact O-N 3.22Å |
| 856 | A | 88 | Confident | 82.2 | Confident | 20 Ų | 20 | 61 Ų | 61 | 17% | 0.165 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 153.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y853 A858 C864 Q890 I891 | Y853-A856 HydrophobicContact CE2-CB 4.22Å; Y853-A856 WeakPolarHBondContact OH-CB 3.26Å; Y853-A856 PolarHBondContact OH-N 2.8Å; Y853-A856 VanDerWaalsContact OH-N 3.14Å; A856-A858 PolarHBondContact O-N 3.35Å; A856-C864 HydrophobicContact CB-CB 4.07Å; A856-C864 WeakPolarHBondContact CB-SG 3.25Å; A856-Q890 CarbonylContact C-O 3.21Å; A856-Q890 WeakPolarHBondContact CA-O 3.36Å; A856-I891 HydrophobicContact CB-CG1 4.43Å |
| 857 | T | 84.3 | Confident | 80.5 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | trans | -63.9 | 109.9 | 174.3 | -51.5 | 0 | 0 | 0 | 0 | 109.2 | T859 Q890 | T857-T859 HydrophobicContact CG2-CG2 4.24Å; T857-T859 PolarHBondContact O-N 2.83Å; T857-Q890 PolarHBondContact N-O 2.81Å; T857-Q890 WeakPolarHBondContact OG1-CB 3.47Å | ||
| 858 | A | 66.3 | Low | 79 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 79% | 0.793 | 38% | 0.382 | S | S | * | . | trans | -74.1 | 114.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A856 | A856-A858 PolarHBondContact O-N 3.35Š| ||
| 859 | T | 71.8 | Confident | 77.9 | Confident | 54 Ų | 54 | 75.1 Ų | 75.1 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -119.6 | 160.2 | 169.4 | 63.4 | 0 | 0 | 0 | 0 | 108.4 | T857 E861 V862 | T857-T859 HydrophobicContact CG2-CG2 4.24Å; T857-T859 PolarHBondContact O-N 2.83Å; T859-E861 PolarHBondContact O-N 2.84Å; T859-V862 PolarHBondContact O-N 2.77Å; T859-V862 VanDerWaalsContact O-N 3.07Å; T859-V862 VanDerWaalsContact O-O 3.12Å; T859-V862 PolarHBondContact OG1-N 3.34Å |
| 860 | D | 66.2 | Low | 77.9 | Confident | 166 Ų | 166 | 72.1 Ų | 72.1 | 89% | 0.888 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17 | 175.7 | -66.9 | -33.6 | 0 | 0 | 0 | 112.6 | V878 | D860-V878 VanDerWaalsContact O-CG2 3.24Å; D860-V878 WeakPolarHBondContact O-CG2 3.36Å |
| 861 | E | 72.6 | Confident | 77.9 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 41% | 0.407 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -13.3 | -179.9 | -60.3 | -176.4 | 167.8 | 0 | 0 | 113.7 | T859 V876 G877 V887 | T859-E861 PolarHBondContact O-N 2.84Å; E861-V876 CarbonylContact O-C 3.54Å; E861-G877 PolarHBondContact O-N 2.04Å; E861-V887 HydrophobicContact CB-CG1 4.39Å |
| 862 | V | 83.3 | Confident | 78 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 121.7 | -174.7 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | T859 C874 Q875 V876 V887 F889 | T859-V862 PolarHBondContact O-N 2.77Å; T859-V862 VanDerWaalsContact O-N 3.07Å; T859-V862 VanDerWaalsContact O-O 3.12Å; T859-V862 PolarHBondContact OG1-N 3.34Å; V862-C874 HydrophobicContact CG1-CB 4.14Å; V862-Q875 VanDerWaalsContact CA-O 3.27Å; V862-Q875 WeakPolarHBondContact CA-O 3.39Å; V862-V876 HydrophobicContact CG2-CG1 4.48Å; V862-V887 HydrophobicContact CG2-CG1 3.53Å; V862-F889 HydrophobicContact CG1-CD1 4.32Å; V862-F889 HydrophobicContact CG1-CD2 3.97Å; V862-F889 HydrophobicContact CG1-CE2 4.19Å; V862-F889 HydrophobicContact CG1-CG 4.04Å; V862-F889 HydrophobicContact CG1-CZ 4.47Å; V862-F889 HydrophobicContact CG2-CB 4.24Å; V862-F889 HydrophobicContact CG2-CD1 3.9Å; V862-F889 HydrophobicContact CG2-CE1 4.47Å; V862-F889 HydrophobicContact CG2-CG 4.11Å |
| 863 | K | 82.9 | Confident | 77.9 | Confident | 134 Ų | 134 | 69 Ų | 69 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 113.2 | 175.9 | -171.1 | 179 | -179.9 | -177.1 | 0 | 111 | Q875 | K863-Q875 PolarHBondContact N-O 3.22Å; K863-Q875 PolarHBondContact O-N 2.85Å |
| 864 | C | 83.6 | Confident | 77.9 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 20% | 0.203 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.2 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | A856 V872 T873 C874 | A856-C864 HydrophobicContact CB-CB 4.07Å; A856-C864 WeakPolarHBondContact CB-SG 3.25Å; C864-V872 HydrophobicContact CB-CG2 4.16Å; C864-T873 CarbonylContact C-O 3.41Å; C864-T873 WeakPolarHBondContact CA-O 3.17Å; C864-C874 HydrophobicContact CB-CB 4.1Å; C864-C874 WeakPolarHBondContact CB-SG 3.27Å; C864-C874 WeakPolarHBondContact SG-CB 3.32Å; C864-C874 CovalentContact SG-SG 2.04Å; C864-C874 PolarHBondContact SG-SG 3.32Å |
| 865 | T | 79.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 67 Ų | 67 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.4 | 175.3 | 48.9 | 0 | 0 | 0 | 0 | 109.6 | T873 | T865-T873 PolarHBondContact N-O 3.02Å; T865-T873 PolarHBondContact O-N 3.45Å; T865-T873 PolarHBondContact OG1-O 3.24Å |
| 866 | S | 72.9 | Confident | 77.5 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113.3 | 170.3 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 867 | T | 54.3 | Low | 76.7 | Confident | 85 Ų | 85 | 64.3 Ų | 64.3 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -27.2 | -174 | 44 | 0 | 0 | 0 | 0 | 112.7 | T871 | T867-T871 PolarHBondContact N-O 3.49Å |
| 868 | L | 59.2 | Low | 75.7 | Confident | 117 Ų | 117 | 65.8 Ų | 65.8 | 61% | 0.613 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 162.7 | 179.3 | -67.9 | 168.6 | 0 | 0 | 0 | 109.8 | N870 T871 | L868-N870 PolarHBondContact O-N 3.22Å; L868-T871 PolarHBondContact O-N 3.46Å |
| 869 | K | 64.6 | Low | 75.6 | Confident | 195 Ų | 195 | 63.2 Ų | 63.2 | 85% | 0.848 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.6 | -176.8 | -160 | 176.8 | -179.5 | -176.7 | 0 | 113.8 | ||
| 870 | N | 81.5 | Confident | 75.9 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 19.5 | -173.6 | -70.1 | 54.5 | 0 | 0 | 0 | 114 | F847 N849 L868 | F847-N870 WeakPolarHBondContact CD1-O 3.49Å; F847-N870 WeakPolarHBondContact CE1-O 3.25Å; F847-N870 HydrophobicContact CE2-CB 4.44Å; F847-N870 VanDerWaalsContact CZ-C 3.46Å; F847-N870 PolarHBondContact N-O 3.14Å; F847-N870 VanDerWaalsContact N-O 3.16Å; F847-N870 PolarHBondContact O-ND2 3.01Å; N849-N870 PolarHBondContact OD1-ND2 3.39Å; L868-N870 PolarHBondContact O-N 3.22Å |
| 871 | T | 84.8 | Confident | 76.7 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 129.1 | -179.1 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | A845 V846 T867 L868 | A845-T871 WeakPolarHBondContact O-CA 3.24Å; V846-T871 HydrophobicContact CG2-CG2 4.05Å; T867-T871 PolarHBondContact N-O 3.49Å; L868-T871 PolarHBondContact O-N 3.46Å |
| 872 | V | 88.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.5 | 170 | 61.6 | 0 | 0 | 0 | 0 | 109.1 | S844 A845 F847 Y853 C864 F893 | S844-V872 WeakPolarHBondContact CA-O 3.37Å; A845-V872 HydrophobicContact CB-CG1 3.78Å; A845-V872 PolarHBondContact N-O 3.48Å; A845-V872 PolarHBondContact O-N 3.38Å; A845-V872 VanDerWaalsContact O-N 3.07Å; F847-V872 HydrophobicContact CE1-CB 4.48Å; F847-V872 HydrophobicContact CE1-CG1 4.33Å; Y853-V872 HydrophobicContact CD1-CG2 4.46Å; Y853-V872 HydrophobicContact CD2-CB 4Å; Y853-V872 HydrophobicContact CD2-CG1 3.94Å; Y853-V872 HydrophobicContact CD2-CG2 3.87Å; Y853-V872 HydrophobicContact CE1-CG2 4.33Å; Y853-V872 HydrophobicContact CE2-CB 4.35Å; Y853-V872 HydrophobicContact CE2-CG1 4.36Å; Y853-V872 HydrophobicContact CE2-CG2 3.73Å; Y853-V872 HydrophobicContact CG-CB 4.24Å; Y853-V872 HydrophobicContact CG-CG2 4.23Å; C864-V872 HydrophobicContact CB-CG2 4.16Å; V872-F893 HydrophobicContact CG1-CE1 4.26Å; V872-F893 HydrophobicContact CG1-CZ 4.13Å |
| 873 | T | 87 | Confident | 77.3 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.1 | 177 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | Q842 C864 T865 | Q842-T873 HydrophobicContact CB-CG2 4.15Å; Q842-T873 HydrophobicContact CG-CG2 4.28Å; C864-T873 CarbonylContact C-O 3.41Å; C864-T873 WeakPolarHBondContact CA-O 3.17Å; T865-T873 PolarHBondContact N-O 3.02Å; T865-T873 PolarHBondContact O-N 3.45Å; T865-T873 PolarHBondContact OG1-O 3.24Å |
| 874 | C | 87.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.4 | 177.6 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | Q842 V843 V862 C864 F889 | Q842-C874 CarbonylContact C-O 3.23Å; Q842-C874 VanDerWaalsContact CA-O 3.32Å; Q842-C874 WeakPolarHBondContact CA-O 3.15Å; V843-C874 PolarHBondContact N-O 2.79Å; V843-C874 PolarHBondContact O-N 2.87Å; V862-C874 HydrophobicContact CG1-CB 4.14Å; C864-C874 HydrophobicContact CB-CB 4.1Å; C864-C874 WeakPolarHBondContact CB-SG 3.27Å; C864-C874 WeakPolarHBondContact SG-CB 3.32Å; C864-C874 CovalentContact SG-SG 2.04Å; C864-C874 PolarHBondContact SG-SG 3.32Å; C874-F889 HydrophobicContact CB-CE2 4.04Å; C874-F889 HydrophobicContact CB-CZ 4.18Å |
| 875 | Q | 85 | Confident | 77.7 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 131 | 168.4 | -64.6 | -177.4 | -32.5 | 0 | 0 | 108.9 | V862 K863 | V862-Q875 VanDerWaalsContact CA-O 3.27Å; V862-Q875 WeakPolarHBondContact CA-O 3.39Å; K863-Q875 PolarHBondContact N-O 3.22Å; K863-Q875 PolarHBondContact O-N 2.85Å |
| 876 | V | 84.8 | Confident | 78.2 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.2 | -173.6 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | T841 V843 E861 V862 V887 F889 | T841-V876 HydrophobicContact CG2-CB 4.29Å; T841-V876 PolarHBondContact O-N 3.38Å; V843-V876 HydrophobicContact CG2-CG2 3.94Å; E861-V876 CarbonylContact O-C 3.54Å; V862-V876 HydrophobicContact CG2-CG1 4.48Å; V876-V887 HydrophobicContact CG1-CB 3.62Å; V876-V887 HydrophobicContact CG1-CG1 3.78Å; V876-V887 HydrophobicContact CG1-CG2 3.86Å; V876-F889 HydrophobicContact CG2-CE1 3.93Å; V876-F889 HydrophobicContact CG2-CZ 4.19Å |
| 877 | G | 71.3 | Confident | 79.1 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 87.7 | 0.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | E861 | E861-G877 PolarHBondContact O-N 2.04Š|
| 878 | V | 62.8 | Low | 80.9 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.3 | 95.7 | -172.8 | -175 | 0 | 0 | 0 | 0 | 112.9 | D860 V880 | D860-V878 VanDerWaalsContact O-CG2 3.24Å; D860-V878 WeakPolarHBondContact O-CG2 3.36Å; V878-V880 VanDerWaalsContact C-N 3.29Å; V878-V880 PolarHBondContact O-N 2.99Å; V878-V880 VanDerWaalsContact O-N 3.14Å |
| 879 | A | 63.7 | Low | 82.4 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | -43.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | V752 N840 | V752-A879 HydrophobicContact CG1-CB 3.57Å; N840-A879 PolarHBondContact N-O 2.75Å |
| 880 | V | 77.6 | Confident | 83.8 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 24% | 0.242 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 127.8 | -177.4 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | N837 Y839 V878 | N837-V880 HydrophobicContact CB-CG1 3.79Å; Y839-V880 HydrophobicContact CD1-CB 4.45Å; Y839-V880 HydrophobicContact CD1-CG1 4.32Å; Y839-V880 HydrophobicContact CD1-CG2 3.47Å; Y839-V880 VanDerWaalsContact CD1-CG2 3.47Å; Y839-V880 HydrophobicContact CE1-CB 4.49Å; Y839-V880 HydrophobicContact CE1-CG1 4.17Å; Y839-V880 HydrophobicContact CE1-CG2 3.47Å; Y839-V880 VanDerWaalsContact CE1-CG2 3.47Å; Y839-V880 HydrophobicContact CG-CG2 4.43Å; V878-V880 VanDerWaalsContact C-N 3.29Å; V878-V880 PolarHBondContact O-N 2.99Å; V878-V880 VanDerWaalsContact O-N 3.14Å |
| 881 | L | 83.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 110.4 | 167.9 | -176.1 | 67.7 | 0 | 0 | 0 | 109.3 | L800 V831 N833 A838 T841 Q885 V887 | L800-L881 HydrophobicContact CD2-CD2 3.97Å; V831-L881 HydrophobicContact CG1-CD2 4.05Å; N833-L881 HydrophobicContact CB-CD2 3.81Å; N833-L881 HydrophobicContact CB-CG 3.94Å; N833-L881 PolarHBondContact ND2-O 2.8Å; A838-L881 HydrophobicContact CB-CB 4.32Å; A838-L881 PolarHBondContact N-O 2.81Å; A838-L881 PolarHBondContact O-N 2.96Å; T841-L881 HydrophobicContact CG2-CD2 4.02Å; L881-Q885 HydrophobicContact CD1-CB 3.87Å; L881-Q885 HydrophobicContact CD1-CG 3.74Å; L881-Q885 HydrophobicContact CG-CB 4.45Å; L881-V887 HydrophobicContact CD1-CG2 3.63Å |
| 882 | K | 83.9 | Confident | 84.7 | Confident | 131 Ų | 131 | 44 Ų | 44 | 57% | 0.57 | 23% | 0.23 | S | C | * | . | trans | -71.8 | 162.6 | -172.1 | -63.8 | 177.5 | -176.9 | 174.2 | 0 | 112.4 | N833 N837 D884 Q885 | N833-K882 PolarHBondContact ND2-O 2.86Å; N837-K882 WeakPolarHBondContact OD1-CA 3.48Å; K882-D884 PolarHBondContact O-N 2.82Å; K882-Q885 HydrophobicContact CB-CB 4.24Å; K882-Q885 WeakPolarHBondContact O-CB 3.38Å; K882-Q885 PolarHBondContact O-N 3.34Å; K882-Q885 VanDerWaalsContact O-N 3.09Å | ||
| 883 | K | 85.1 | Confident | 84.8 | Confident | 111 Ų | 111 | 44 Ų | 44 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 133.5 | 169.2 | 179.9 | 159.7 | -175.7 | 164.9 | 0 | 111.6 | N835 N837 Q885 | N835-K883 VanDerWaalsContact O-CA 3.24Å; N835-K883 WeakPolarHBondContact O-CA 3.29Å; N835-K883 WeakPolarHBondContact O-CB 3.37Å; N835-K883 WeakPolarHBondContact O-CD 3.46Å; N835-K883 WeakPolarHBondContact O-CG 3.46Å; N837-K883 PolarHBondContact OD1-N 3.24Å; K883-Q885 PolarHBondContact O-N 3.04Å; K883-Q885 VanDerWaalsContact O-N 3.12Å |
| 884 | D | 86.4 | Confident | 84.9 | Confident | 96 Ų | 96 | 45.2 Ų | 45.2 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 6.7 | -178.3 | -64.6 | -57 | 0 | 0 | 0 | 115.6 | N833 K882 | N833-D884 WeakPolarHBondContact O-CA 3.24Å; N833-D884 PolarHBondContact O-N 2.75Å; K882-D884 PolarHBondContact O-N 2.82Å |
| 885 | Q | 87.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 22% | 0.22 | 24% | 0.236 | C | C | . | . | trans | -76.4 | 133.9 | 175.8 | -168.4 | 177.9 | -8.9 | 0 | 0 | 110.3 | K832 N833 L881 K882 K883 | K832-Q885 WeakPolarHBondContact CA-O 3.21Å; N833-Q885 PolarHBondContact N-O 3.43Å; L881-Q885 HydrophobicContact CD1-CB 3.87Å; L881-Q885 HydrophobicContact CD1-CG 3.74Å; L881-Q885 HydrophobicContact CG-CB 4.45Å; K882-Q885 HydrophobicContact CB-CB 4.24Å; K882-Q885 WeakPolarHBondContact O-CB 3.38Å; K882-Q885 PolarHBondContact O-N 3.34Å; K882-Q885 VanDerWaalsContact O-N 3.09Å; K883-Q885 PolarHBondContact O-N 3.04Å; K883-Q885 VanDerWaalsContact O-N 3.12Å | ||
| 886 | E | 90.8 | Very high | 84.5 | Confident | 95 Ų | 95 | 42.2 Ų | 42.2 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.7 | 176.5 | -176.4 | -177.7 | 107 | 0 | 0 | 109.4 | V830 V831 K832 N888 | V830-E886 HydrophobicContact CG1-CG 3.63Å; V831-E886 WeakPolarHBondContact O-CA 3.36Å; K832-E886 HydrophobicContact CB-CB 4.26Å; K832-E886 HydrophobicContact CB-CG 4.2Å; K832-E886 HydrophobicContact CG-CB 4.26Å; E886-N888 PolarHBondContact OE1-ND2 2.8Å |
| 887 | V | 90.9 | Very high | 83.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | V831 E861 V862 V876 L881 F889 | V831-V887 PolarHBondContact N-O 3.1Å; V831-V887 PolarHBondContact O-N 2.55Å; E861-V887 HydrophobicContact CB-CG1 4.39Å; V862-V887 HydrophobicContact CG2-CG1 3.53Å; V876-V887 HydrophobicContact CG1-CB 3.62Å; V876-V887 HydrophobicContact CG1-CG1 3.78Å; V876-V887 HydrophobicContact CG1-CG2 3.86Å; L881-V887 HydrophobicContact CD1-CG2 3.63Å; V887-F889 HydrophobicContact CG1-CD1 4.48Å |
| 888 | N | 91.1 | Very high | 83.5 | Confident | 86 Ų | 86 | 50 Ų | 50 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.7 | -175.5 | -70.6 | -67.2 | 0 | 0 | 0 | 109.7 | V830 E886 | V830-N888 WeakPolarHBondContact CB-OD1 3.44Å; V830-N888 WeakPolarHBondContact CG1-OD1 3.49Å; V830-N888 WeakPolarHBondContact CG2-OD1 3.33Å; E886-N888 PolarHBondContact OE1-ND2 2.8Å |
| 889 | F | 92.1 | Very high | 83.6 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 169.2 | 176.4 | 64.6 | -78.6 | 0 | 0 | 0 | 111.1 | V829 V831 V843 V862 C874 V876 V887 I891 | V829-F889 HydrophobicContact CB-CD1 4.35Å; V829-F889 HydrophobicContact CB-CD2 4.42Å; V829-F889 HydrophobicContact CB-CE1 4.01Å; V829-F889 HydrophobicContact CB-CE2 4.11Å; V829-F889 HydrophobicContact CB-CZ 3.89Å; V829-F889 HydrophobicContact CG1-CD1 4.47Å; V829-F889 HydrophobicContact CG1-CE1 3.71Å; V829-F889 HydrophobicContact CG1-CE2 4.25Å; V829-F889 HydrophobicContact CG1-CZ 3.58Å; V829-F889 HydrophobicContact CG2-CE2 4.41Å; V829-F889 PolarHBondContact N-O 2.85Å; V829-F889 PolarHBondContact O-N 3.39Å; V829-F889 VanDerWaalsContact O-O 3.12Å; V831-F889 HydrophobicContact CG2-CE1 4.34Å; V843-F889 HydrophobicContact CB-CZ 4.15Å; V843-F889 HydrophobicContact CG1-CZ 4.44Å; V843-F889 HydrophobicContact CG2-CE1 4.48Å; V843-F889 HydrophobicContact CG2-CZ 4.15Å; V862-F889 HydrophobicContact CG1-CD1 4.32Å; V862-F889 HydrophobicContact CG1-CD2 3.97Å; V862-F889 HydrophobicContact CG1-CE2 4.19Å; V862-F889 HydrophobicContact CG1-CG 4.04Å; V862-F889 HydrophobicContact CG1-CZ 4.47Å; V862-F889 HydrophobicContact CG2-CB 4.24Å; V862-F889 HydrophobicContact CG2-CD1 3.9Å; V862-F889 HydrophobicContact CG2-CE1 4.47Å; V862-F889 HydrophobicContact CG2-CG 4.11Å; C874-F889 HydrophobicContact CB-CE2 4.04Å; C874-F889 HydrophobicContact CB-CZ 4.18Å; V876-F889 HydrophobicContact CG2-CE1 3.93Å; V876-F889 HydrophobicContact CG2-CZ 4.19Å; V887-F889 HydrophobicContact CG1-CD1 4.48Å; F889-I891 HydrophobicContact CD2-CG1 4.07Å; F889-I891 HydrophobicContact CE2-CD1 3.85Å; F889-I891 HydrophobicContact CE2-CG1 3.74Å |
| 890 | Q | 92.8 | Very high | 83.7 | Confident | 42 Ų | 42 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.3 | 178.5 | -168.2 | -178.3 | -78.7 | 0 | 0 | 110.4 | K826 F827 A856 T857 T892 | K826-Q890 HydrophobicContact CB-CG 4.33Å; F827-Q890 CarbonylContact O-C 3.54Å; F827-Q890 VanDerWaalsContact O-CA 3.28Å; F827-Q890 WeakPolarHBondContact O-CA 3.47Å; F827-Q890 WeakPolarHBondContact O-CG 3.49Å; A856-Q890 CarbonylContact C-O 3.21Å; A856-Q890 WeakPolarHBondContact CA-O 3.36Å; T857-Q890 PolarHBondContact N-O 2.81Å; T857-Q890 WeakPolarHBondContact OG1-CB 3.47Å; Q890-T892 PolarHBondContact NE2-OG1 3.15Å |
| 891 | I | 92.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.8 | 167.5 | -53 | -168.6 | 0 | 0 | 0 | 108.6 | F827 V829 A845 Y853 A856 F889 F893 F908 | F827-I891 PolarHBondContact N-O 2.94Å; F827-I891 PolarHBondContact O-N 2.84Å; V829-I891 HydrophobicContact CG2-CD1 4.44Å; V829-I891 HydrophobicContact CG2-CG1 4.19Å; A845-I891 HydrophobicContact CB-CD1 4.4Å; Y853-I891 HydrophobicContact CD2-CG2 4.12Å; Y853-I891 HydrophobicContact CE2-CG2 4.02Å; A856-I891 HydrophobicContact CB-CG1 4.43Å; F889-I891 HydrophobicContact CD2-CG1 4.07Å; F889-I891 HydrophobicContact CE2-CD1 3.85Å; F889-I891 HydrophobicContact CE2-CG1 3.74Å; I891-F893 HydrophobicContact CB-CE2 4.22Å; I891-F893 HydrophobicContact CG2-CD2 4.14Å; I891-F893 HydrophobicContact CG2-CE1 4.29Å; I891-F893 HydrophobicContact CG2-CE2 3.44Å; I891-F893 VanDerWaalsContact CG2-CE2 3.44Å; I891-F893 HydrophobicContact CG2-CZ 3.53Å; I891-F908 HydrophobicContact CD1-CE1 4.03Å |
| 892 | T | 92.3 | Very high | 83.1 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.7 | 178.8 | -50 | 0 | 0 | 0 | 0 | 109.6 | E824 L825 K826 S854 S855 Q890 | E824-T892 HydrophobicContact CB-CG2 4.06Å; E824-T892 HydrophobicContact CG-CG2 4.02Å; L825-T892 CarbonylContact O-C 3.56Å; L825-T892 WeakPolarHBondContact O-CA 3.33Å; K826-T892 HydrophobicContact CG-CG2 3.95Å; S854-T892 WeakPolarHBondContact CB-O 3.46Å; S854-T892 PolarHBondContact N-O 2.62Å; S855-T892 PolarHBondContact N-O 3.29Å; S855-T892 PolarHBondContact O-N 3.22Å; Q890-T892 PolarHBondContact NE2-OG1 3.15Å |
| 893 | F | 91.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.9 | 172.3 | -61.8 | -85.3 | 0 | 0 | 0 | 110.1 | E824 L825 F827 A845 F847 L851 F852 Y853 V872 I891 V906 F908 | E824-F893 CarbonylContact C-O 3.58Å; E824-F893 WeakPolarHBondContact CA-O 3.5Å; L825-F893 PolarHBondContact N-O 3.29Å; L825-F893 PolarHBondContact O-N 3.46Å; F827-F893 AromaticContact CD2-CD2 3.66Å; F827-F893 HydrophobicContact CD2-CD2 3.66Å; F827-F893 AromaticContact CD2-CE2 3.88Å; F827-F893 HydrophobicContact CD2-CE2 3.88Å; F827-F893 AromaticContact CE2-CD2 3.64Å; F827-F893 HydrophobicContact CE2-CD2 3.64Å; F827-F893 HydrophobicContact CE2-CE2 4.1Å; A845-F893 HydrophobicContact CB-CZ 4.08Å; F847-F893 HydrophobicContact CB-CD1 4.48Å; F847-F893 HydrophobicContact CB-CE1 4.17Å; F847-F893 HydrophobicContact CD1-CD1 4.13Å; F847-F893 AromaticContact CD1-CE1 3.33Å; F847-F893 HydrophobicContact CD1-CE1 3.33Å; F847-F893 HydrophobicContact CD1-CZ 4.02Å; F847-F893 HydrophobicContact CD2-CD1 4.49Å; F847-F893 HydrophobicContact CD2-CE1 4.45Å; F847-F893 HydrophobicContact CE1-CD1 4.47Å; F847-F893 AromaticContact CE1-CE1 3.72Å; F847-F893 HydrophobicContact CE1-CE1 3.72Å; F847-F893 HydrophobicContact CG-CD1 4.13Å; F847-F893 AromaticContact CG-CE1 3.74Å; F847-F893 HydrophobicContact CG-CE1 3.74Å; F847-F893 HydrophobicContact CZ-CE1 4.42Å; L851-F893 HydrophobicContact CB-CB 4.41Å; L851-F893 HydrophobicContact CD2-CB 4.43Å; F852-F893 CarbonylContact O-C 3.6Å; F852-F893 WeakPolarHBondContact O-CA 3.15Å; Y853-F893 HydrophobicContact CD2-CE1 4.3Å; V872-F893 HydrophobicContact CG1-CE1 4.26Å; V872-F893 HydrophobicContact CG1-CZ 4.13Å; I891-F893 HydrophobicContact CB-CE2 4.22Å; I891-F893 HydrophobicContact CG2-CD2 4.14Å; I891-F893 HydrophobicContact CG2-CE1 4.29Å; I891-F893 HydrophobicContact CG2-CE2 3.44Å; I891-F893 VanDerWaalsContact CG2-CE2 3.44Å; I891-F893 HydrophobicContact CG2-CZ 3.53Å; F893-V906 HydrophobicContact CE2-CG1 4.1Å; F893-V906 HydrophobicContact CE2-CG2 4.45Å; F893-V906 HydrophobicContact CZ-CG1 4.18Å; F893-F908 HydrophobicContact CE2-CZ 4.28Å |
| 894 | D | 88.9 | Confident | 83.3 | Confident | 47 Ų | 47 | 47.1 Ų | 47.1 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.5 | 170.1 | -74.6 | -37.7 | 0 | 0 | 0 | 110.1 | R823 E824 F852 S854 | R823-D894 WeakPolarHBondContact O-CA 3.38Å; E824-D894 VanDerWaalsContact CG-OD1 3.28Å; E824-D894 WeakPolarHBondContact CG-OD1 3.13Å; F852-D894 PolarHBondContact N-O 3.05Å; F852-D894 PolarHBondContact O-N 3.49Å; S854-D894 WeakPolarHBondContact CB-OD2 3.32Å; S854-D894 PolarHBondContact OG-OD2 2.81Å |
| 895 | Y | 85.3 | Confident | 83.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 136.3 | 177.1 | -159 | -78.9 | 0 | 0 | 0 | 112 | F818 R823 N850 L851 F897 E901 A904 V930 F932 | F818-Y895 HydrophobicContact CD2-CD1 4.39Å; F818-Y895 AromaticContact CD2-CD2 3.81Å; F818-Y895 HydrophobicContact CD2-CD2 3.81Å; F818-Y895 HydrophobicContact CD2-CE2 4.34Å; F818-Y895 AromaticContact CD2-CG 3.83Å; F818-Y895 HydrophobicContact CD2-CG 3.83Å; F818-Y895 AromaticContact CE2-CD2 3.29Å; F818-Y895 HydrophobicContact CE2-CD2 3.29Å; F818-Y895 AromaticContact CE2-CE2 3.87Å; F818-Y895 HydrophobicContact CE2-CE2 3.87Å; F818-Y895 AromaticContact CE2-CG 3.75Å; F818-Y895 HydrophobicContact CE2-CG 3.75Å; F818-Y895 HydrophobicContact CG-CG 4.34Å; F818-Y895 AromaticContact CZ-CD2 3.76Å; F818-Y895 HydrophobicContact CZ-CD2 3.76Å; F818-Y895 HydrophobicContact CZ-CG 4.17Å; R823-Y895 PolarHBondContact O-N 2.79Å; N850-Y895 HydrophobicContact CB-CE1 4.06Å; N850-Y895 HydrophobicContact CB-CE2 3.96Å; N850-Y895 WeakPolarHBondContact CB-OH 3.48Å; N850-Y895 WeakPolarHBondContact ND2-CE2 3.4Å; N850-Y895 VanDerWaalsContact ND2-CZ 3.3Å; N850-Y895 PolarHBondContact ND2-OH 3.02Å; L851-Y895 HydrophobicContact CD2-CD2 3.64Å; L851-Y895 HydrophobicContact CD2-CE2 4.26Å; L851-Y895 HydrophobicContact CD2-CG 4.4Å; Y895-F897 HydrophobicContact CD1-CD1 4.35Å; Y895-F897 HydrophobicContact CD1-CE1 4.47Å; Y895-E901 PolarHBondContact OH-O 2.86Å; Y895-A904 HydrophobicContact CE2-CB 4.27Å; Y895-V930 HydrophobicContact CE2-CB 4.45Å; Y895-V930 HydrophobicContact CE2-CG1 3.97Å; Y895-V930 HydrophobicContact CE2-CG2 3.97Å; Y895-F932 AromaticContact CD1-CE1 3.57Å; Y895-F932 HydrophobicContact CD1-CE1 3.57Å; Y895-F932 AromaticContact CD1-CZ 3.99Å; Y895-F932 HydrophobicContact CD1-CZ 3.99Å; Y895-F932 AromaticContact CE1-CE1 3.29Å; Y895-F932 HydrophobicContact CE1-CE1 3.29Å; Y895-F932 AromaticContact CE1-CZ 3.2Å; Y895-F932 HydrophobicContact CE1-CZ 3.2Å; Y895-F932 HydrophobicContact CE2-CZ 4.49Å; Y895-F932 HydrophobicContact CG-CE1 4.42Å; Y895-F932 AromaticContact CZ-CE1 3.91Å; Y895-F932 AromaticContact CZ-CZ 3.49Å; Y895-F932 VanDerWaalsContact CZ-CZ 3.49Å; Y895-F932 WeakPolarHBondContact OH-CZ 3.48Å |
| 896 | S | 79.4 | Confident | 83.8 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 118.6 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 112 | N850 F852 D898 | N850-S896 WeakPolarHBondContact O-CB 3.5Å; N850-S896 PolarHBondContact O-N 3.45Å; F852-S896 WeakPolarHBondContact CE2-OG 3.39Å; S896-D898 PolarHBondContact O-N 2.93Å; S896-D898 PolarHBondContact OG-N 2.73Å |
| 897 | F | 71.8 | Confident | 84 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8 | 172.6 | -62.6 | -48 | 0 | 0 | 0 | 113.8 | F818 R823 Y895 F932 F980 | F818-F897 HydrophobicContact CB-CE1 4.07Å; F818-F897 HydrophobicContact CB-CZ 4.37Å; R823-F897 HydrophobicContact CG-CE2 3.92Å; R823-F897 HydrophobicContact CG-CZ 3.91Å; R823-F897 VanDerWaalsContact CZ-CE2 3.41Å; Y895-F897 HydrophobicContact CD1-CD1 4.35Å; Y895-F897 HydrophobicContact CD1-CE1 4.47Å; F897-F932 AromaticContact CD1-CD1 3.82Å; F897-F932 HydrophobicContact CD1-CD1 3.82Å; F897-F932 AromaticContact CD1-CE1 3.86Å; F897-F932 HydrophobicContact CD1-CE1 3.86Å; F897-F932 AromaticContact CE1-CD1 3.6Å; F897-F932 HydrophobicContact CE1-CD1 3.6Å; F897-F932 AromaticContact CE1-CE1 3.83Å; F897-F932 HydrophobicContact CE1-CE1 3.83Å; F897-F980 HydrophobicContact CB-CE2 4.35Å; F897-F980 HydrophobicContact CD1-CD2 4.13Å; F897-F980 AromaticContact CD1-CE2 3.67Å; F897-F980 HydrophobicContact CD1-CE2 3.67Å; F897-F980 HydrophobicContact CE1-CD2 4.46Å; F897-F980 HydrophobicContact CE1-CE2 4.22Å; F897-F980 HydrophobicContact CG-CD2 4.33Å; F897-F980 HydrophobicContact CG-CE2 4.11Å |
| 898 | D | 63.8 | Low | 84.1 | Confident | 154 Ų | 154 | 41.8 Ų | 41.8 | 82% | 0.824 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21.9 | 176.1 | -59 | -33.1 | 0 | 0 | 0 | 112 | S896 | S896-D898 PolarHBondContact O-N 2.93Å; S896-D898 PolarHBondContact OG-N 2.73Å |
| 899 | S | 65.2 | Low | 84.2 | Confident | 35 Ų | 35 | 40 Ų | 40 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -117.3 | 97.6 | 175.9 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | N850 E901 | N850-S899 WeakPolarHBondContact CB-O 3.35Å; S899-E901 VanDerWaalsContact C-N 3.31Å; S899-E901 PolarHBondContact O-N 2.65Å; S899-E901 PolarHBondContact OG-OE1 3.18Å |
| 900 | Q | 63.8 | Low | 84.2 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | trans | -84.2 | 67.8 | -175.8 | -63.4 | 179.5 | -8.2 | 0 | 0 | 112.1 | L1106 | Q900-L1106 HydrophobicContact CB-CD2 4.27Š| ||
| 901 | E | 73.5 | Confident | 83.9 | Confident | 65 Ų | 65 | 44 Ų | 44 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | trans | -85.1 | 152.7 | 170.5 | -67.2 | 176.4 | -140.3 | 0 | 0 | 111.4 | N850 Y895 S899 | N850-E901 HydrophobicContact CB-CB 4.1Å; N850-E901 HydrophobicContact CB-CG 4.31Å; Y895-E901 PolarHBondContact OH-O 2.86Å; S899-E901 VanDerWaalsContact C-N 3.31Å; S899-E901 PolarHBondContact O-N 2.65Å; S899-E901 PolarHBondContact OG-OE1 3.18Å | ||
| 902 | N | 77.1 | Confident | 83.6 | Confident | 108 Ų | 108 | 45.2 Ų | 45.2 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -89.6 | -5.1 | -178.5 | 64.2 | -8.2 | 0 | 0 | 0 | 113.8 | V930 L1106 | N902-V930 PolarHBondContact O-N 3.49Å; N902-L1106 HydrophobicContact CB-CD1 4.1Å |
| 903 | Q | 85.3 | Confident | 82.8 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141.1 | 178.1 | -64.3 | -170.2 | 2.3 | 0 | 0 | 110.8 | N850 V905 S927 I928 | N850-Q903 PolarHBondContact ND2-O 2.76Å; Q903-V905 HydrophobicContact CB-CG2 4.44Å; Q903-S927 PolarHBondContact OE1-OG 2.83Å; Q903-I928 CarbonylContact C-O 3.59Å; Q903-I928 WeakPolarHBondContact CA-O 3.31Å |
| 904 | A | 88.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.2 | 168 | 0 | 0 | 0 | 0 | 0 | 108.4 | L825 L851 Y895 I928 V930 | L825-A904 HydrophobicContact CD1-CB 3.88Å; L851-A904 HydrophobicContact CD1-CB 4.12Å; L851-A904 HydrophobicContact CD2-CB 4.13Å; L851-A904 HydrophobicContact CG-CB 4.32Å; Y895-A904 HydrophobicContact CE2-CB 4.27Å; A904-I928 HydrophobicContact CB-CB 4.41Å; A904-I928 PolarHBondContact N-O 2.83Å; A904-I928 PolarHBondContact O-N 3.08Å; A904-V930 HydrophobicContact CB-CG2 3.87Å |
| 905 | V | 90.8 | Very high | 81.4 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 26% | 0.261 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.4 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | F847 S848 Q903 Q925 | F847-V905 WeakPolarHBondContact CA-O 3.3Å; S848-V905 PolarHBondContact N-O 2.81Å; S848-V905 PolarHBondContact OG-N 2.75Å; S848-V905 PolarHBondContact OG-O 2.74Å; Q903-V905 HydrophobicContact CB-CG2 4.44Å; V905-Q925 HydrophobicContact CG1-CG 4.24Å |
| 906 | V | 93.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.4 | 172.8 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | F827 A845 V846 F847 L851 F893 F908 I926 | F827-V906 HydrophobicContact CE2-CG2 4.06Å; F827-V906 HydrophobicContact CZ-CB 4.32Å; F827-V906 HydrophobicContact CZ-CG2 3.84Å; A845-V906 HydrophobicContact CB-CG1 4.14Å; V846-V906 WeakPolarHBondContact O-CA 3.36Å; F847-V906 HydrophobicContact CB-CG1 4.36Å; F847-V906 HydrophobicContact CB-CG2 4.16Å; L851-V906 HydrophobicContact CD1-CG2 3.52Å; F893-V906 HydrophobicContact CE2-CG1 4.1Å; F893-V906 HydrophobicContact CE2-CG2 4.45Å; F893-V906 HydrophobicContact CZ-CG1 4.18Å; V906-F908 HydrophobicContact CB-CD2 4.43Å; V906-F908 HydrophobicContact CB-CE2 3.76Å; V906-F908 HydrophobicContact CB-CZ 4.33Å; V906-F908 HydrophobicContact CG1-CD2 3.9Å; V906-F908 HydrophobicContact CG1-CE1 4.3Å; V906-F908 HydrophobicContact CG1-CE2 3.3Å; V906-F908 HydrophobicContact CG1-CZ 3.53Å; V906-I926 PolarHBondContact N-O 3.16Å; V906-I926 PolarHBondContact O-N 3.31Å |
| 907 | K | 93.7 | Very high | 81.7 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.7 | 173.8 | -175.4 | -177.2 | 177 | -170.8 | 0 | 109.1 | A845 V846 Q925 | A845-K907 WeakPolarHBondContact CA-O 3.17Å; V846-K907 PolarHBondContact N-O 2.75Å; V846-K907 PolarHBondContact O-N 3.38Å; K907-Q925 HydrophobicContact CB-CG 4.48Å; K907-Q925 HydrophobicContact CG-CB 4.45Å |
| 908 | F | 94.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 141.2 | 174 | -61.8 | -99.4 | 0 | 0 | 0 | 110.1 | L802 V804 F827 V829 V843 S844 A845 I891 F893 V906 S923 V924 | L802-F908 HydrophobicContact CD2-CB 3.77Å; V804-F908 HydrophobicContact CB-CD2 4.39Å; V804-F908 HydrophobicContact CG1-CD2 3.89Å; V804-F908 HydrophobicContact CG1-CE1 4.44Å; V804-F908 HydrophobicContact CG1-CE2 3.77Å; V804-F908 HydrophobicContact CG1-CG 4.3Å; V804-F908 HydrophobicContact CG1-CZ 4.07Å; V804-F908 HydrophobicContact CG2-CB 3.92Å; V804-F908 HydrophobicContact CG2-CD1 4.32Å; V804-F908 HydrophobicContact CG2-CD2 4.13Å; V804-F908 HydrophobicContact CG2-CG 3.88Å; F827-F908 HydrophobicContact CB-CE1 4.43Å; F827-F908 HydrophobicContact CB-CE2 4.42Å; F827-F908 HydrophobicContact CB-CZ 3.72Å; F827-F908 AromaticContact CD1-CE2 3.85Å; F827-F908 HydrophobicContact CD1-CE2 3.85Å; F827-F908 AromaticContact CD1-CZ 3.93Å; F827-F908 HydrophobicContact CD1-CZ 3.93Å; F827-F908 HydrophobicContact CD2-CZ 4.15Å; F827-F908 HydrophobicContact CE1-CE2 4.25Å; F827-F908 HydrophobicContact CG-CE2 4.09Å; F827-F908 AromaticContact CG-CZ 3.67Å; F827-F908 HydrophobicContact CG-CZ 3.67Å; V829-F908 HydrophobicContact CG2-CD1 4.18Å; V829-F908 HydrophobicContact CG2-CE1 3.87Å; V843-F908 HydrophobicContact CG1-CD1 4.38Å; S844-F908 CarbonylContact O-C 3.52Å; S844-F908 VanDerWaalsContact O-CA 3.29Å; S844-F908 WeakPolarHBondContact O-CA 3.29Å; A845-F908 HydrophobicContact CB-CD1 3.68Å; A845-F908 HydrophobicContact CB-CE1 3.64Å; A845-F908 HydrophobicContact CB-CG 4.4Å; A845-F908 HydrophobicContact CB-CZ 4.32Å; I891-F908 HydrophobicContact CD1-CE1 4.03Å; F893-F908 HydrophobicContact CE2-CZ 4.28Å; V906-F908 HydrophobicContact CB-CD2 4.43Å; V906-F908 HydrophobicContact CB-CE2 3.76Å; V906-F908 HydrophobicContact CB-CZ 4.33Å; V906-F908 HydrophobicContact CG1-CD2 3.9Å; V906-F908 HydrophobicContact CG1-CE1 4.3Å; V906-F908 HydrophobicContact CG1-CE2 3.3Å; V906-F908 HydrophobicContact CG1-CZ 3.53Å; F908-S923 VanDerWaalsContact O-CA 3.31Å; F908-S923 WeakPolarHBondContact O-CA 3.13Å; F908-S923 PolarHBondContact O-OG 2.84Å; F908-V924 PolarHBondContact N-O 2.86Å; F908-V924 PolarHBondContact O-N 2.98Å |
| 909 | E | 93.3 | Very high | 83.5 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 124 | 177.6 | -165.7 | 177.7 | 159.8 | 0 | 0 | 110.5 | V843 S844 R911 N922 | V843-E909 WeakPolarHBondContact CA-O 3.26Å; S844-E909 PolarHBondContact N-O 2.88Å; S844-E909 PolarHBondContact O-N 3.02Å; S844-E909 PolarHBondContact OG-O 2.94Å; E909-R911 VanDerWaalsContact CD-NE 3.28Å; E909-R911 HydrophobicContact CG-CG 4.3Å; E909-R911 IonicContact OE1-CZ 3.82Å; E909-R911 IonicContact OE1-NE 2.87Å; E909-R911 PolarHBondContact OE1-NE 2.68Å; E909-R911 IonicContact OE1-NH2 3.43Å; E909-R911 PolarHBondContact OE1-NH2 3.34Å; E909-R911 IonicContact OE2-CZ 3.87Å; E909-R911 IonicContact OE2-NE 3.77Å; E909-R911 IonicContact OE2-NH2 3.53Å; E909-R911 PolarHBondContact OE2-NH2 3.4Å; E909-N922 CarbonylContact C-O 3.53Å; E909-N922 WeakPolarHBondContact CA-O 3.38Å |
| 910 | A | 91.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L800 L802 Q842 V843 N922 | L800-A910 HydrophobicContact CD1-CB 4.31Å; L802-A910 HydrophobicContact CB-CB 4.14Å; L802-A910 HydrophobicContact CD1-CB 4.41Å; L802-A910 HydrophobicContact CD2-CB 4.37Å; Q842-A910 CarbonylContact O-C 3.55Å; Q842-A910 WeakPolarHBondContact O-CA 3.26Å; V843-A910 HydrophobicContact CG2-CB 4.36Å; A910-N922 PolarHBondContact N-O 2.8Å; A910-N922 PolarHBondContact O-ND2 2.86Å; A910-N922 VanDerWaalsContact O-ND2 3.13Å |
| 911 | R | 87.3 | Confident | 85.7 | Confident | 139 Ų | 139 | 57.9 Ų | 57.9 | 53% | 0.525 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.9 | -178.8 | -61.9 | -176.3 | 179.2 | 170.2 | 3.5 | 110.6 | T841 Q842 E909 | T841-R911 CarbonylContact C-O 3.19Å; T841-R911 WeakPolarHBondContact CA-O 3.45Å; Q842-R911 PolarHBondContact N-O 3.49Å; Q842-R911 PolarHBondContact O-N 2.87Å; E909-R911 VanDerWaalsContact CD-NE 3.28Å; E909-R911 HydrophobicContact CG-CG 4.3Å; E909-R911 IonicContact OE1-CZ 3.82Å; E909-R911 IonicContact OE1-NE 2.87Å; E909-R911 PolarHBondContact OE1-NE 2.68Å; E909-R911 IonicContact OE1-NH2 3.43Å; E909-R911 PolarHBondContact OE1-NH2 3.34Å; E909-R911 IonicContact OE2-CZ 3.87Å; E909-R911 IonicContact OE2-NE 3.77Å; E909-R911 IonicContact OE2-NH2 3.53Å; E909-R911 PolarHBondContact OE2-NH2 3.4Å |
| 912 | S | 85 | Confident | 86.5 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | trans | -139.1 | 174.4 | 170.6 | 66.1 | 0 | 0 | 0 | 0 | 109.7 | N798 Y839 G914 | N798-S912 VanDerWaalsContact CG-OG 3.32Å; N798-S912 PolarHBondContact ND2-OG 2.8Å; N798-S912 PolarHBondContact OD1-OG 2.87Å; N798-S912 VanDerWaalsContact OD1-OG 3.12Å; Y839-S912 WeakPolarHBondContact O-CB 3.47Å; S912-G914 PolarHBondContact O-N 2.82Å; S912-G914 PolarHBondContact OG-N 2.81Å | ||
| 913 | D | 74.9 | Confident | 87.2 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.8 | -5.1 | 177 | -64 | -20.9 | 0 | 0 | 0 | 113.5 | P785 K788 Y839 N840 | P785-D913 HydrophobicContact CB-CB 4.27Å; K788-D913 WeakPolarHBondContact CE-OD2 3.23Å; K788-D913 IonicContact NZ-OD2 2.68Å; Y839-D913 PolarHBondContact O-N 2.81Å; N840-D913 WeakPolarHBondContact CB-OD2 3.42Å; N840-D913 PolarHBondContact ND2-OD1 3.35Å |
| 914 | G | 74.3 | Confident | 87.6 | Confident | 21 Ų | 21 | 50 Ų | 50 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -94.8 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N798 S912 | N798-G914 VanDerWaalsContact OD1-C 3.24Å; N798-G914 WeakPolarHBondContact OD1-CA 3.32Å; S912-G914 PolarHBondContact O-N 2.82Å; S912-G914 PolarHBondContact OG-N 2.81Å |
| 915 | K | 78.4 | Confident | 87.8 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.9 | 174.8 | -176 | 179.8 | 178.4 | -174.6 | 0 | 108.7 | C796 V797 N798 | C796-K915 PolarHBondContact O-N 3.01Å; V797-K915 VanDerWaalsContact CA-O 3.31Å; V797-K915 WeakPolarHBondContact CA-O 3.48Å; N798-K915 PolarHBondContact N-O 3.46Å; N798-K915 VanDerWaalsContact N-O 3.08Å |
| 916 | E | 84.1 | Confident | 87.7 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.7 | 178.4 | -163.3 | 64.5 | -105.9 | 0 | 0 | 111.5 | N798 D799 L800 P919 N922 | N798-E916 PolarHBondContact ND2-OE1 2.78Å; N798-E916 PolarHBondContact ND2-OE2 3.41Å; D799-E916 WeakPolarHBondContact CA-OE1 3.41Å; D799-E916 PolarHBondContact N-OE1 2.85Å; L800-E916 PolarHBondContact N-OE1 3.26Å; E916-P919 HydrophobicContact CB-CG 4.19Å; E916-P919 HydrophobicContact CG-CB 4.49Å; E916-P919 HydrophobicContact CG-CG 4.26Å; E916-N922 WeakPolarHBondContact CG-ND2 3.1Å; E916-N922 PolarHBondContact OE2-ND2 2.97Å |
| 917 | E | 87.3 | Confident | 87.6 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -71.7 | -42.9 | 175.7 | -172.2 | 170.2 | 176.4 | 0 | 0 | 111.2 | V797 N798 D799 N835 | V797-E917 HydrophobicContact CG1-CB 3.98Å; N798-E917 PolarHBondContact O-N 2.86Å; D799-E917 HydrophobicContact CB-CB 4.2Å; N835-E917 PolarHBondContact ND2-OE2 2.88Å |
| 918 | N | 86.7 | Confident | 87.2 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | trans | -129 | 86.2 | 179.5 | -174.7 | 21.5 | 0 | 0 | 0 | 112 | A920 D921 N922 | N918-A920 PolarHBondContact O-N 3.07Å; N918-D921 WeakPolarHBondContact CB-OD1 3.09Å; N918-D921 VanDerWaalsContact ND2-CG 3.32Å; N918-D921 PolarHBondContact ND2-OD1 2.84Å; N918-N922 PolarHBondContact O-OD1 2.85Å | ||
| 919 | P | 85.1 | Confident | 87 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -62.5 | -14.6 | 179.8 | -22.9 | 32.4 | 0 | 0 | 0 | 115.2 | E916 | E916-P919 HydrophobicContact CB-CG 4.19Å; E916-P919 HydrophobicContact CG-CB 4.49Å; E916-P919 HydrophobicContact CG-CG 4.26Å |
| 920 | A | 85.6 | Confident | 86.6 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 69% | 0.686 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -76.6 | -27.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N918 | N918-A920 PolarHBondContact O-N 3.07Š|
| 921 | D | 90.4 | Very high | 86.4 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 16% | 0.16 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -92 | 6.9 | 175.1 | 61.6 | -29.8 | 0 | 0 | 0 | 113.8 | E801 L802 K834 N918 | E801-D921 HydrophobicContact CG-CB 4.44Å; E801-D921 WeakPolarHBondContact CG-OD2 3.2Å; L802-D921 WeakPolarHBondContact CB-O 3.38Å; L802-D921 PolarHBondContact N-O 2.73Å; K834-D921 IonicContact NZ-OD2 3Å; K834-D921 PolarHBondContact NZ-OD2 2.84Å; N918-D921 WeakPolarHBondContact CB-OD1 3.09Å; N918-D921 VanDerWaalsContact ND2-CG 3.32Å; N918-D921 PolarHBondContact ND2-OD1 2.84Å |
| 922 | N | 90.3 | Very high | 86.3 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -84.7 | -13.9 | 176.2 | -72 | 36.9 | 0 | 0 | 0 | 114.3 | L800 L802 E909 A910 E916 N918 | L800-N922 PolarHBondContact O-OD1 3.05Å; L802-N922 WeakPolarHBondContact CD2-O 3.38Å; E909-N922 CarbonylContact C-O 3.53Å; E909-N922 WeakPolarHBondContact CA-O 3.38Å; A910-N922 PolarHBondContact N-O 2.8Å; A910-N922 PolarHBondContact O-ND2 2.86Å; A910-N922 VanDerWaalsContact O-ND2 3.13Å; E916-N922 WeakPolarHBondContact CG-ND2 3.1Å; E916-N922 PolarHBondContact OE2-ND2 2.97Å; N918-N922 PolarHBondContact O-OD1 2.85Å |
| 923 | S | 91.1 | Very high | 86.4 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.1 | -175.2 | -167.9 | 0 | 0 | 0 | 0 | 112.6 | F908 | F908-S923 VanDerWaalsContact O-CA 3.31Å; F908-S923 WeakPolarHBondContact O-CA 3.13Å; F908-S923 PolarHBondContact O-OG 2.84Å |
| 924 | V | 93.5 | Very high | 86.9 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120.9 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | L802 V804 F908 I926 | L802-V924 HydrophobicContact CD2-CG2 4.25Å; L802-V924 HydrophobicContact CG-CG2 4.23Å; L802-V924 WeakPolarHBondContact O-CG2 3.47Å; V804-V924 HydrophobicContact CB-CB 4.21Å; V804-V924 HydrophobicContact CB-CG1 4.06Å; V804-V924 HydrophobicContact CG2-CB 4.06Å; V804-V924 HydrophobicContact CG2-CG1 4.47Å; V804-V924 HydrophobicContact CG2-CG2 4.27Å; F908-V924 PolarHBondContact N-O 2.86Å; F908-V924 PolarHBondContact O-N 2.98Å; V924-I926 HydrophobicContact CG1-CD1 4.41Å; V924-I926 HydrophobicContact CG1-CG1 4.03Å |
| 925 | Q | 92.4 | Very high | 87.5 | Confident | 129 Ų | 129 | 48.1 Ų | 48.1 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.1 | 171.5 | -177 | 175.5 | -29.2 | 0 | 0 | 109.5 | V905 K907 | V905-Q925 HydrophobicContact CG1-CG 4.24Å; K907-Q925 HydrophobicContact CB-CG 4.48Å; K907-Q925 HydrophobicContact CG-CB 4.45Å |
| 926 | I | 90 | Very high | 88 | Confident | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.6 | 175.8 | -56.3 | 178.5 | 0 | 0 | 0 | 107.6 | V804 A806 F827 V906 V924 I928 | V804-I926 HydrophobicContact CB-CD1 4.1Å; V804-I926 HydrophobicContact CG1-CD1 3.69Å; A806-I926 HydrophobicContact CB-CG2 4.5Å; F827-I926 HydrophobicContact CD1-CD1 3.88Å; F827-I926 HydrophobicContact CE1-CB 4.2Å; F827-I926 HydrophobicContact CE1-CD1 3.95Å; F827-I926 HydrophobicContact CE1-CG2 4.13Å; V906-I926 PolarHBondContact N-O 3.16Å; V906-I926 PolarHBondContact O-N 3.31Å; V924-I926 HydrophobicContact CG1-CD1 4.41Å; V924-I926 HydrophobicContact CG1-CG1 4.03Å; I926-I928 HydrophobicContact CG2-CD1 4.27Å; I926-I928 HydrophobicContact CG2-CG1 3.83Å |
| 927 | S | 89.8 | Confident | 88.3 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.4 | 166.9 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | Q903 | Q903-S927 PolarHBondContact OE1-OG 2.83Å |
| 928 | I | 87.2 | Confident | 88.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.1 | 179.9 | -56.9 | -178.5 | 0 | 0 | 0 | 107.4 | A806 V816 L825 F827 Q903 A904 I926 V930 | A806-I928 HydrophobicContact CB-CD1 4.05Å; V816-I928 HydrophobicContact CB-CG2 4.07Å; V816-I928 HydrophobicContact CG2-CG2 3.46Å; V816-I928 VanDerWaalsContact CG2-CG2 3.46Å; L825-I928 HydrophobicContact CD1-CD1 4.3Å; L825-I928 HydrophobicContact CD2-CD1 4.04Å; F827-I928 HydrophobicContact CE1-CD1 4.05Å; F827-I928 HydrophobicContact CZ-CD1 3.81Å; Q903-I928 CarbonylContact C-O 3.59Å; Q903-I928 WeakPolarHBondContact CA-O 3.31Å; A904-I928 HydrophobicContact CB-CB 4.41Å; A904-I928 PolarHBondContact N-O 2.83Å; A904-I928 PolarHBondContact O-N 3.08Å; I926-I928 HydrophobicContact CG2-CD1 4.27Å; I926-I928 HydrophobicContact CG2-CG1 3.83Å; I928-V930 WeakPolarHBondContact O-CG2 3.14Å |
| 929 | P | 88.2 | Confident | 88.9 | Confident | 37 Ų | 37 | 38 Ų | 38 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 141.3 | 171.3 | 21.9 | -24.3 | 0 | 0 | 0 | 110.3 | P815 V816 | P815-P929 CarbonylContact C-O 3.56Å; P815-P929 WeakPolarHBondContact CA-O 3.22Å; P815-P929 HydrophobicContact CB-CB 4.16Å; P815-P929 HydrophobicContact CB-CG 4.43Å; V816-P929 PolarHBondContact N-O 2.83Å |
| 930 | V | 86.2 | Confident | 89.3 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.1 | -169.7 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | F818 Y895 N902 A904 I928 F932 L1106 | F818-V930 HydrophobicContact CD2-CG1 3.34Å; F818-V930 HydrophobicContact CE2-CB 4.25Å; F818-V930 HydrophobicContact CE2-CG1 3.46Å; F818-V930 VanDerWaalsContact CE2-CG1 3.46Å; F818-V930 HydrophobicContact CE2-CG2 3.8Å; Y895-V930 HydrophobicContact CE2-CB 4.45Å; Y895-V930 HydrophobicContact CE2-CG1 3.97Å; Y895-V930 HydrophobicContact CE2-CG2 3.97Å; N902-V930 PolarHBondContact O-N 3.49Å; A904-V930 HydrophobicContact CB-CG2 3.87Å; I928-V930 WeakPolarHBondContact O-CG2 3.14Å; V930-F932 HydrophobicContact CG1-CE1 3.91Å; V930-F932 HydrophobicContact CG1-CE2 4.11Å; V930-F932 HydrophobicContact CG1-CZ 3.63Å; V930-L1106 WeakPolarHBondContact O-CD1 3.43Å |
| 931 | Q | 87.8 | Confident | 89.6 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 155.8 | 168.2 | -73.5 | -178.5 | -30.4 | 0 | 0 | 110.1 | P815 V816 L817 F818 D1105 I1108 | P815-Q931 HydrophobicContact CB-CG 3.91Å; P815-Q931 HydrophobicContact CG-CG 4.25Å; V816-Q931 PolarHBondContact O-N 2.8Å; L817-Q931 CarbonylContact C-O 3.27Å; L817-Q931 WeakPolarHBondContact CA-O 3.38Å; L817-Q931 HydrophobicContact CD1-CB 3.91Å; F818-Q931 PolarHBondContact N-O 2.82Å; Q931-D1105 PolarHBondContact NE2-O 2.99Å; Q931-D1105 VanDerWaalsContact NE2-O 3.09Å; Q931-I1108 HydrophobicContact CB-CG1 3.94Å; Q931-I1108 HydrophobicContact CG-CD1 4.46Å; Q931-I1108 HydrophobicContact CG-CG1 4.22Å |
| 932 | F | 85 | Confident | 89.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.8 | 179.4 | -56.8 | -75.6 | 0 | 0 | 0 | 111 | F818 Y895 F897 V930 T934 F980 L1106 L1107 I1108 | F818-F932 HydrophobicContact CB-CD1 4.04Å; F818-F932 HydrophobicContact CB-CE1 4.3Å; F818-F932 HydrophobicContact CD2-CE1 4.12Å; F818-F932 WeakPolarHBondContact O-CA 3.48Å; Y895-F932 AromaticContact CD1-CE1 3.57Å; Y895-F932 HydrophobicContact CD1-CE1 3.57Å; Y895-F932 AromaticContact CD1-CZ 3.99Å; Y895-F932 HydrophobicContact CD1-CZ 3.99Å; Y895-F932 AromaticContact CE1-CE1 3.29Å; Y895-F932 HydrophobicContact CE1-CE1 3.29Å; Y895-F932 AromaticContact CE1-CZ 3.2Å; Y895-F932 HydrophobicContact CE1-CZ 3.2Å; Y895-F932 HydrophobicContact CE2-CZ 4.49Å; Y895-F932 HydrophobicContact CG-CE1 4.42Å; Y895-F932 AromaticContact CZ-CE1 3.91Å; Y895-F932 AromaticContact CZ-CZ 3.49Å; Y895-F932 VanDerWaalsContact CZ-CZ 3.49Å; Y895-F932 WeakPolarHBondContact OH-CZ 3.48Å; F897-F932 AromaticContact CD1-CD1 3.82Å; F897-F932 HydrophobicContact CD1-CD1 3.82Å; F897-F932 AromaticContact CD1-CE1 3.86Å; F897-F932 HydrophobicContact CD1-CE1 3.86Å; F897-F932 AromaticContact CE1-CD1 3.6Å; F897-F932 HydrophobicContact CE1-CD1 3.6Å; F897-F932 AromaticContact CE1-CE1 3.83Å; F897-F932 HydrophobicContact CE1-CE1 3.83Å; V930-F932 HydrophobicContact CG1-CE1 3.91Å; V930-F932 HydrophobicContact CG1-CE2 4.11Å; V930-F932 HydrophobicContact CG1-CZ 3.63Å; F932-T934 PolarHBondContact O-N 2.86Å; F932-F980 HydrophobicContact CB-CE2 3.85Å; F932-F980 HydrophobicContact CB-CZ 4.11Å; F932-F980 HydrophobicContact CD1-CE2 4.03Å; F932-F980 AromaticContact CG-CE2 3.94Å; F932-F980 HydrophobicContact CG-CE2 3.94Å; F932-F980 HydrophobicContact CG-CZ 4.18Å; F932-L1106 HydrophobicContact CD2-CD1 3.89Å; F932-L1106 HydrophobicContact CD2-CG 3.82Å; F932-L1106 HydrophobicContact CE2-CD1 3.6Å; F932-L1106 HydrophobicContact CE2-CD2 4.29Å; F932-L1106 HydrophobicContact CE2-CG 3.83Å; F932-L1106 PolarHBondContact N-O 2.89Å; F932-L1107 HydrophobicContact CB-CD2 4Å; F932-L1107 HydrophobicContact CD2-CD2 3.91Å; F932-L1107 HydrophobicContact CG-CD2 4.3Å; F932-I1108 PolarHBondContact O-N 3.03Å |
| 933 | D | 86.9 | Confident | 89.8 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 113.7 | 163.8 | -173.7 | 0.6 | 0 | 0 | 0 | 108.9 | L817 F818 G935 Q1110 | L817-D933 HydrophobicContact CD1-CB 4.07Å; L817-D933 HydrophobicContact CD2-CB 4.18Å; L817-D933 HydrophobicContact CG-CB 4.09Å; F818-D933 PolarHBondContact O-N 3.47Å; D933-G935 PolarHBondContact O-N 3.34Å; D933-G935 PolarHBondContact OD1-N 2.99Å; D933-Q1110 VanDerWaalsContact OD2-CD 3.29Å; D933-Q1110 PolarHBondContact OD2-NE2 3.19Å |
| 934 | T | 85.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -71.1 | -18.3 | 179.5 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | F932 V936 F980 L982 T1101 L1107 I1108 V1109 | F932-T934 PolarHBondContact O-N 2.86Å; T934-V936 PolarHBondContact O-N 3.05Å; T934-F980 HydrophobicContact CG2-CD1 4.47Å; T934-L982 HydrophobicContact CG2-CD1 4.36Å; T934-L982 HydrophobicContact CG2-CD2 3.75Å; T934-T1101 HydrophobicContact CG2-CG2 4.03Å; T934-L1107 HydrophobicContact CG2-CB 3.76Å; T934-I1108 WeakPolarHBondContact CG2-O 3.38Å; T934-I1108 PolarHBondContact N-O 2.87Å; T934-I1108 PolarHBondContact OG1-O 3.3Å; T934-V1109 WeakPolarHBondContact OG1-CG2 3.36Å | ||
| 935 | G | 86.3 | Confident | 89.4 | Confident | 31 Ų | 31 | 47 Ų | 47 | 32% | 0.32 | 26% | 0.264 | S | S | . | . | trans | 64 | 19.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D933 G978 | D933-G935 PolarHBondContact O-N 3.34Å; D933-G935 PolarHBondContact OD1-N 2.99Å; G935-G978 PolarHBondContact O-N 3.1Å | ||
| 936 | V | 89.6 | Confident | 89.3 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | trans | -73.1 | 130.8 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | T934 V975 S976 I977 L982 L985 V1099 V1109 | T934-V936 PolarHBondContact O-N 3.05Å; V936-V975 HydrophobicContact CG1-CG1 3.86Å; V936-S976 WeakPolarHBondContact CA-O 3.35Å; V936-I977 HydrophobicContact CG2-CD1 4.03Å; V936-L982 HydrophobicContact CG2-CD1 3.36Å; V936-L985 HydrophobicContact CG2-CD1 4.13Å; V936-L985 HydrophobicContact CG2-CD2 4.49Å; V936-V1099 HydrophobicContact CG1-CG1 4.35Å; V936-V1099 HydrophobicContact CG1-CG2 4.47Å; V936-V1109 HydrophobicContact CB-CG1 4.02Å; V936-V1109 HydrophobicContact CB-CG2 4.19Å; V936-V1109 HydrophobicContact CG1-CG1 4.28Å | ||
| 937 | V | 90.7 | Very high | 89.4 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.3 | 178.9 | -178 | 0 | 0 | 0 | 0 | 109.6 | S976 | V937-S976 PolarHBondContact N-O 3.1Å; V937-S976 PolarHBondContact O-N 2.71Å |
| 938 | L | 92.9 | Very high | 89.4 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 137.1 | 169.9 | -63.5 | 179.2 | 0 | 0 | 0 | 109.6 | V975 L987 L1097 V1099 L1114 | L938-V975 HydrophobicContact CD2-CB 4.32Å; L938-V975 HydrophobicContact CD2-CG1 4.2Å; L938-V975 HydrophobicContact CD2-CG2 3.76Å; L938-L987 HydrophobicContact CD2-CD1 4.29Å; L938-L1097 HydrophobicContact CD1-CB 4.33Å; L938-V1099 HydrophobicContact CD1-CB 4.12Å; L938-V1099 HydrophobicContact CD1-CG1 3.78Å; L938-V1099 HydrophobicContact CD2-CB 4.18Å; L938-V1099 HydrophobicContact CD2-CG1 4.14Å; L938-V1099 HydrophobicContact CG-CB 4.43Å; L938-V1099 HydrophobicContact CG-CG1 3.94Å; L938-L1114 HydrophobicContact CB-CB 4.09Å; L938-L1114 HydrophobicContact CB-CD2 3.85Å; L938-L1114 HydrophobicContact CD1-CB 4.22Å |
| 939 | S | 92.8 | Very high | 89.4 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 157.2 | 170.3 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | K974 | S939-K974 PolarHBondContact N-O 3.44Å; S939-K974 PolarHBondContact O-N 2.86Å; S939-K974 WeakPolarHBondContact OG-CB 3.37Å; S939-K974 PolarHBondContact OG-O 2.81Å |
| 940 | T | 93.1 | Very high | 89.1 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.5 | -173.4 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | T972 V973 L1097 L1114 V1116 | T940-T972 VanDerWaalsContact CA-O 3.27Å; T940-T972 WeakPolarHBondContact CA-O 3.36Å; T940-V973 HydrophobicContact CG2-CG2 4.49Å; T940-L1097 HydrophobicContact CG2-CD1 3.32Å; T940-L1114 HydrophobicContact CG2-CD2 3.64Å; T940-L1114 HydrophobicContact CG2-CG 4.45Å; T940-V1116 HydrophobicContact CG2-CG2 3.72Å |
| 941 | E | 91.7 | Very high | 88.3 | Confident | 152 Ų | 152 | 54.2 Ų | 54.2 | 71% | 0.71 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 128.7 | 172.9 | -173.8 | 176.7 | -169.6 | 0 | 0 | 109.8 | F971 T972 | E941-F971 CarbonylContact O-C 3.48Å; E941-F971 VanDerWaalsContact O-CA 3.29Å; E941-F971 WeakPolarHBondContact O-CA 3.19Å; E941-T972 PolarHBondContact N-O 3.44Å; E941-T972 PolarHBondContact O-N 3.42Å |
| 942 | S | 92.8 | Very high | 87.4 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.7 | -179.2 | 53 | 0 | 0 | 0 | 0 | 112.4 | I944 N945 T970 | S942-I944 VanDerWaalsContact C-N 3.35Å; S942-I944 WeakPolarHBondContact CB-O 3.48Å; S942-I944 PolarHBondContact OG-O 3.46Å; S942-I944 VanDerWaalsContact OG-O 3.09Å; S942-N945 PolarHBondContact OG-OD1 2.81Å; S942-T970 CarbonylContact C-O 3.6Å; S942-T970 WeakPolarHBondContact CA-O 3.42Å |
| 943 | N | 92.3 | Very high | 87 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -72.1 | -28.5 | 177.8 | 70.4 | -37.8 | 0 | 0 | 0 | 113.1 | E968 T970 | N943-E968 PolarHBondContact ND2-O 3.45Å; N943-T970 PolarHBondContact N-O 3.22Å; N943-T970 PolarHBondContact OD1-N 2.84Å; N943-T970 PolarHBondContact OD1-O 2.87Å |
| 944 | I | 89.5 | Confident | 86.5 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | trans | -130.5 | 146 | 176.3 | 60.2 | 172.2 | 0 | 0 | 0 | 109.7 | S942 F969 I1078 L1118 | S942-I944 VanDerWaalsContact C-N 3.35Å; S942-I944 WeakPolarHBondContact CB-O 3.48Å; S942-I944 PolarHBondContact OG-O 3.46Å; S942-I944 VanDerWaalsContact OG-O 3.09Å; I944-F969 HydrophobicContact CD1-CB 4.23Å; I944-F969 HydrophobicContact CD1-CD2 4.07Å; I944-F969 HydrophobicContact CG1-CD2 3.63Å; I944-F969 HydrophobicContact CG1-CE2 4.35Å; I944-I1078 HydrophobicContact CD1-CD1 4Å; I944-L1118 HydrophobicContact CD1-CD1 4.3Å; I944-L1118 HydrophobicContact CG1-CD1 4.17Å | ||
| 945 | N | 88 | Confident | 86.3 | Confident | 117 Ų | 117 | 70 Ų | 70 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -108.7 | -13.5 | -175.2 | -66.2 | -27.7 | 0 | 0 | 0 | 113.4 | S942 P1119 | S942-N945 PolarHBondContact OG-OD1 2.81Å; N945-P1119 VanDerWaalsContact O-CD 3.29Å; N945-P1119 WeakPolarHBondContact O-CD 3.33Å |
| 946 | F | 90.1 | Very high | 86.2 | Confident | 140 Ų | 140 | 71.6 Ų | 71.6 | 61% | 0.614 | 39% | 0.388 | S | S | * | . | trans | -157.7 | 157.2 | 174.5 | 65.1 | -87 | 0 | 0 | 0 | 108.9 | V948 P1119 | F946-V948 HydrophobicContact CD2-CG2 3.85Å; F946-V948 HydrophobicContact CE2-CG2 3.88Å; F946-P1119 CarbonylContact C-O 3.56Å; F946-P1119 WeakPolarHBondContact CA-O 3.44Å | ||
| 947 | Y | 91.5 | Very high | 85.8 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140 | 175.2 | 169.6 | -109.2 | 0 | 0 | 0 | 110.4 | A949 P967 I1078 N1080 F1083 P1119 V1120 S1121 | Y947-A949 HydrophobicContact CE1-CB 4.04Å; Y947-P967 HydrophobicContact CD2-CG 3.8Å; Y947-P967 HydrophobicContact CE2-CG 3.59Å; Y947-I1078 HydrophobicContact CD1-CD1 4.24Å; Y947-I1078 HydrophobicContact CD1-CG2 4.11Å; Y947-I1078 HydrophobicContact CD2-CD1 4.26Å; Y947-I1078 HydrophobicContact CE1-CG2 4.08Å; Y947-I1078 HydrophobicContact CG-CD1 3.9Å; Y947-N1080 VanDerWaalsContact OH-CG 3.26Å; Y947-N1080 PolarHBondContact OH-OD1 3.27Å; Y947-F1083 HydrophobicContact CE1-CB 4.31Å; Y947-F1083 HydrophobicContact CE1-CD2 4.35Å; Y947-F1083 HydrophobicContact CE1-CG 4.47Å; Y947-P1119 PolarHBondContact N-O 3.43Å; Y947-V1120 HydrophobicContact CD1-CB 4.36Å; Y947-V1120 HydrophobicContact CD1-CG1 3.61Å; Y947-V1120 HydrophobicContact CD1-CG2 4.06Å; Y947-V1120 HydrophobicContact CE1-CG1 4.08Å; Y947-V1120 WeakPolarHBondContact O-CA 3.48Å; Y947-S1121 PolarHBondContact O-N 3.37Å |
| 948 | V | 89.8 | Confident | 85.5 | Confident | 51 Ų | 51 | 74 Ų | 74 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.8 | -178.5 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | F946 S1121 P1123 | F946-V948 HydrophobicContact CD2-CG2 3.85Å; F946-V948 HydrophobicContact CE2-CG2 3.88Å; V948-S1121 WeakPolarHBondContact CA-O 3.08Å; V948-P1123 HydrophobicContact CG1-CG 3.46Å; V948-P1123 VanDerWaalsContact CG1-CG 3.46Å |
| 949 | A | 86.7 | Confident | 85 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | trans | -88.5 | 105.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y947 F1083 Y1088 S1121 | Y947-A949 HydrophobicContact CE1-CB 4.04Å; A949-F1083 HydrophobicContact CB-CB 3.91Å; A949-Y1088 VanDerWaalsContact CB-OH 3.26Å; A949-Y1088 WeakPolarHBondContact CB-OH 3.39Å; A949-S1121 PolarHBondContact N-O 3.33Å | ||
| 950 | E | 82 | Confident | 84.4 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | trans | -81.4 | 125 | 176.7 | -63.2 | -174.7 | 170.1 | 0 | 0 | 110.9 | T952 N953 | E950-T952 PolarHBondContact O-N 3.35Å; E950-N953 PolarHBondContact O-N 3.14Å | ||
| 951 | S | 69.6 | Low | 83.9 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14 | -179.5 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | N953 | S951-N953 VanDerWaalsContact C-N 3.35Š|
| 952 | T | 69.9 | Low | 83.5 | Confident | 116 Ų | 116 | 73.2 Ų | 73.2 | 71% | 0.712 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -14.9 | 176.1 | 45.6 | 0 | 0 | 0 | 0 | 113.6 | E950 | E950-T952 PolarHBondContact O-N 3.35Š|
| 953 | N | 76.2 | Confident | 83.1 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 36% | 0.358 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -75.5 | 135.4 | -178.6 | -72.8 | -21.5 | 0 | 0 | 0 | 111.2 | E950 S951 I1084 | E950-N953 PolarHBondContact O-N 3.14Å; S951-N953 VanDerWaalsContact C-N 3.35Å; N953-I1084 HydrophobicContact CB-CD1 3.75Å |
| 954 | Q | 75.6 | Confident | 82.7 | Confident | 181 Ų | 181 | 75.3 Ų | 75.3 | 85% | 0.846 | 40% | 0.402 | S | S | * | . | trans | -70.5 | 133.7 | 175.9 | -71 | -172.9 | -10.2 | 0 | 0 | 110.6 | V956 | Q954-V956 PolarHBondContact O-N 2.87Š| ||
| 955 | V | 81.8 | Confident | 82.6 | Confident | 52 Ų | 52 | 73.1 Ų | 73.1 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | trans | -74.4 | 113.8 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | T957 F1036 I1084 | V955-T957 HydrophobicContact CG1-CG2 4.25Å; V955-T957 PolarHBondContact O-N 2.91Å; V955-F1036 HydrophobicContact CG1-CD2 3.35Å; V955-F1036 HydrophobicContact CG1-CE2 3.67Å; V955-F1036 HydrophobicContact CG1-CG 4.23Å; V955-I1084 HydrophobicContact CG2-CB 4.01Å; V955-I1084 HydrophobicContact CG2-CG2 3.62Å | ||
| 956 | V | 83.3 | Confident | 82.6 | Confident | 63 Ų | 63 | 68 Ų | 68 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | trans | -82.5 | 113.6 | 177.3 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | Q954 D964 F1036 | Q954-V956 PolarHBondContact O-N 2.87Å; V956-D964 HydrophobicContact CG1-CB 4.08Å; V956-F1036 WeakPolarHBondContact O-CE2 3.4Å | ||
| 957 | T | 82.6 | Confident | 82.6 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | trans | -102.4 | -14.7 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | V955 T1033 V1034 F1036 | V955-T957 HydrophobicContact CG1-CG2 4.25Å; V955-T957 PolarHBondContact O-N 2.91Å; T957-T1033 CarbonylContact O-C 3.59Å; T957-T1033 WeakPolarHBondContact O-CA 3.42Å; T957-V1034 WeakPolarHBondContact CA-O 3.41Å; T957-V1034 WeakPolarHBondContact CB-O 3.29Å; T957-V1034 PolarHBondContact O-N 2.8Å; T957-F1036 HydrophobicContact CG2-CD2 4.32Å; T957-F1036 HydrophobicContact CG2-CE2 4.4Å | ||
| 958 | T | 83.8 | Confident | 82.6 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 103.1 | 174.8 | -55.5 | 0 | 0 | 0 | 0 | 108.9 | T1031 Q1032 | T958-T1031 HydrophobicContact CG2-CG2 3.52Å; T958-Q1032 CarbonylContact C-O 3.55Å; T958-Q1032 WeakPolarHBondContact CA-O 3.31Å |
| 959 | V | 82.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.2 | -171.9 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | D964 I965 I1027 Q1032 V1034 W1079 | V959-D964 HydrophobicContact CB-CB 4.44Å; V959-D964 HydrophobicContact CG1-CB 3.91Å; V959-I965 HydrophobicContact CG1-CD1 4.48Å; V959-I965 HydrophobicContact CG1-CG1 3.77Å; V959-I1027 HydrophobicContact CG1-CD1 4.24Å; V959-I1027 HydrophobicContact CG1-CG2 3.73Å; V959-Q1032 PolarHBondContact N-O 2.87Å; V959-Q1032 PolarHBondContact O-N 2.61Å; V959-V1034 HydrophobicContact CG2-CG2 4.04Å; V959-W1079 HydrophobicContact CG2-CH2 3.96Å; V959-W1079 HydrophobicContact CG2-CZ3 3.87Å |
| 960 | K | 80.7 | Confident | 83.1 | Confident | 129 Ų | 129 | 63.9 Ų | 63.9 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | trans | -110.3 | -37.7 | 178.7 | -65.7 | -180 | 179.8 | 178.6 | 0 | 111.8 | D964 G1028 T1031 | K960-D964 WeakPolarHBondContact CA-OD2 3.32Å; K960-D964 PolarHBondContact N-OD2 3.15Å; K960-G1028 PolarHBondContact O-N 3.07Å; K960-T1031 HydrophobicContact CG-CG2 3.89Å | ||
| 961 | T | 82.6 | Confident | 83.7 | Confident | 64 Ų | 64 | 59 Ų | 59 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -123.1 | 163.2 | -177.5 | 68.6 | 0 | 0 | 0 | 0 | 110.6 | D963 D964 | T961-D963 PolarHBondContact O-N 3.5Å; T961-D964 PolarHBondContact N-OD2 3.42Å; T961-D964 WeakPolarHBondContact O-CB 3.33Å; T961-D964 PolarHBondContact O-N 3.04Å; T961-D964 PolarHBondContact OG1-OD2 3.24Å |
| 962 | L | 81.8 | Confident | 84.8 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -64.9 | -21.7 | 175.8 | -66.8 | 174.7 | 0 | 0 | 0 | 112.8 | D964 I965 Y1003 T1005 I1027 | L962-D964 VanDerWaalsContact C-N 3.35Å; L962-I965 HydrophobicContact CD2-CD1 4.19Å; L962-Y1003 HydrophobicContact CD2-CD1 4.33Å; L962-Y1003 HydrophobicContact CD2-CE1 3.8Å; L962-T1005 HydrophobicContact CD1-CG2 4.3Å; L962-T1005 HydrophobicContact CD2-CG2 4.2Å; L962-I1027 HydrophobicContact CD2-CB 4.33Å; L962-I1027 HydrophobicContact CD2-CG2 4.17Å |
| 963 | D | 84.2 | Confident | 85.9 | Confident | 110 Ų | 110 | 51.1 Ų | 51.1 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -74.9 | -25.1 | 177.1 | -65.5 | -38.5 | 0 | 0 | 0 | 112.6 | T961 I965 G966 R1077 | T961-D963 PolarHBondContact O-N 3.5Å; D963-I965 PolarHBondContact O-N 3.49Å; D963-G966 PolarHBondContact O-N 2.83Å; D963-R1077 IonicContact OD1-CZ 2.68Å; D963-R1077 IonicContact OD1-NH1 2.76Å; D963-R1077 PolarHBondContact OD1-NH1 2.76Å; D963-R1077 IonicContact OD1-NH2 3.16Å; D963-R1077 PolarHBondContact OD1-NH2 2.96Å |
| 964 | D | 84.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -66.9 | -17.5 | 176.6 | -64 | -36.2 | 0 | 0 | 0 | 112.9 | V956 V959 K960 T961 L962 | V956-D964 HydrophobicContact CG1-CB 4.08Å; V959-D964 HydrophobicContact CB-CB 4.44Å; V959-D964 HydrophobicContact CG1-CB 3.91Å; K960-D964 WeakPolarHBondContact CA-OD2 3.32Å; K960-D964 PolarHBondContact N-OD2 3.15Å; T961-D964 PolarHBondContact N-OD2 3.42Å; T961-D964 WeakPolarHBondContact O-CB 3.33Å; T961-D964 PolarHBondContact O-N 3.04Å; T961-D964 PolarHBondContact OG1-OD2 3.24Å; L962-D964 VanDerWaalsContact C-N 3.35Å |
| 965 | I | 86.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -47.5 | 178.1 | -60.5 | 177.6 | 0 | 0 | 0 | 110.6 | V959 L962 D963 Y1003 I1027 R1077 I1078 W1079 N1080 | V959-I965 HydrophobicContact CG1-CD1 4.48Å; V959-I965 HydrophobicContact CG1-CG1 3.77Å; L962-I965 HydrophobicContact CD2-CD1 4.19Å; D963-I965 PolarHBondContact O-N 3.49Å; I965-Y1003 HydrophobicContact CD1-CD1 3.59Å; I965-Y1003 HydrophobicContact CD1-CE1 3.97Å; I965-Y1003 HydrophobicContact CD1-CG 3.91Å; I965-I1027 HydrophobicContact CD1-CD1 4.08Å; I965-R1077 HydrophobicContact CB-CB 4.26Å; I965-R1077 HydrophobicContact CG2-CB 3.84Å; I965-I1078 CarbonylContact C-O 3.18Å; I965-I1078 VanDerWaalsContact O-O 3.09Å; I965-W1079 HydrophobicContact CB-CE3 4.5Å; I965-W1079 HydrophobicContact CB-CZ3 4.47Å; I965-W1079 HydrophobicContact CD1-CH2 4.31Å; I965-W1079 HydrophobicContact CD1-CZ2 4.1Å; I965-W1079 HydrophobicContact CG1-CH2 3.87Å; I965-W1079 HydrophobicContact CG1-CZ2 4.09Å; I965-W1079 HydrophobicContact CG1-CZ3 4.17Å; I965-W1079 HydrophobicContact CG2-CD2 3.59Å; I965-W1079 HydrophobicContact CG2-CE3 3.85Å; I965-W1079 HydrophobicContact CG2-CG 3.92Å; I965-W1079 HydrophobicContact CG2-CH2 4.35Å; I965-W1079 HydrophobicContact CG2-CZ2 4.12Å; I965-W1079 HydrophobicContact CG2-CZ3 4.22Å; I965-N1080 PolarHBondContact O-N 2.8Å |
| 966 | G | 88.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | trans | 145.6 | -167.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D963 R1077 I1078 | D963-G966 PolarHBondContact O-N 2.83Å; G966-R1077 VanDerWaalsContact O-CD 3.22Å; G966-R1077 WeakPolarHBondContact O-CD 3.28Å; G966-R1077 PolarHBondContact O-NH1 2.81Å; G966-I1078 VanDerWaalsContact CA-O 3.32Å; G966-I1078 WeakPolarHBondContact CA-O 3.28Å | ||
| 967 | P | 90.9 | Very high | 88 | Confident | 43 Ų | 43 | 38.8 Ų | 38.8 | 28% | 0.279 | 21% | 0.21 | S | C | . | . | trans | -70.3 | 155.5 | -174.2 | 29.7 | -35.4 | 0 | 0 | 0 | 112.5 | Y947 R1077 I1078 N1080 | Y947-P967 HydrophobicContact CD2-CG 3.8Å; Y947-P967 HydrophobicContact CE2-CG 3.59Å; P967-R1077 WeakPolarHBondContact O-CA 3.42Å; P967-I1078 HydrophobicContact CG-CB 4.3Å; P967-I1078 HydrophobicContact CG-CD1 4.21Å; P967-I1078 PolarHBondContact O-N 3.08Å; P967-N1080 VanDerWaalsContact CD-OD1 3.22Å; P967-N1080 WeakPolarHBondContact CD-OD1 3.42Å | ||
| 968 | E | 91.5 | Very high | 88 | Confident | 73 Ų | 73 | 36.6 Ų | 36.6 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.6 | 176.1 | -167.4 | -178.8 | 96.6 | 0 | 0 | 111.2 | N943 T970 T1076 | N943-E968 PolarHBondContact ND2-O 3.45Å; E968-T970 WeakPolarHBondContact CG-OG1 3.32Å; E968-T970 PolarHBondContact OE1-OG1 2.92Å; E968-T1076 CarbonylContact C-O 3.13Å; E968-T1076 WeakPolarHBondContact CA-O 3.42Å; E968-T1076 WeakPolarHBondContact CG-O 3.2Å |
| 969 | F | 93.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108 | 168.2 | 176.1 | -125.4 | 0 | 0 | 0 | 108.9 | I944 F971 L1002 T1076 I1078 V1116 L1118 | I944-F969 HydrophobicContact CD1-CB 4.23Å; I944-F969 HydrophobicContact CD1-CD2 4.07Å; I944-F969 HydrophobicContact CG1-CD2 3.63Å; I944-F969 HydrophobicContact CG1-CE2 4.35Å; F969-F971 HydrophobicContact CD1-CD1 4.27Å; F969-F971 AromaticContact CE1-CD1 3.71Å; F969-F971 HydrophobicContact CE1-CD1 3.71Å; F969-F971 HydrophobicContact CE1-CE1 4.13Å; F969-F971 HydrophobicContact CZ-CD1 4Å; F969-L1002 HydrophobicContact CD1-CD1 4.44Å; F969-L1002 HydrophobicContact CD1-CD2 4.06Å; F969-T1076 WeakPolarHBondContact CD1-OG1 3.42Å; F969-T1076 PolarHBondContact N-O 2.85Å; F969-T1076 CarbonylContact O-C 3.42Å; F969-T1076 WeakPolarHBondContact O-CA 3.09Å; F969-T1076 WeakPolarHBondContact O-CB 3.05Å; F969-T1076 PolarHBondContact O-N 2.9Å; F969-T1076 PolarHBondContact O-OG1 3.22Å; F969-I1078 HydrophobicContact CB-CD1 4.03Å; F969-I1078 HydrophobicContact CB-CG1 3.85Å; F969-V1116 HydrophobicContact CZ-CG1 3.91Å; F969-L1118 HydrophobicContact CD1-CD2 4.16Å; F969-L1118 HydrophobicContact CD2-CD1 4.26Å; F969-L1118 HydrophobicContact CD2-CD2 3.96Å; F969-L1118 HydrophobicContact CE1-CB 4.36Å; F969-L1118 HydrophobicContact CE1-CD2 4.34Å; F969-L1118 HydrophobicContact CE2-CB 4.17Å; F969-L1118 HydrophobicContact CE2-CD1 4.03Å; F969-L1118 HydrophobicContact CE2-CD2 4.14Å; F969-L1118 HydrophobicContact CE2-CG 4.34Å; F969-L1118 HydrophobicContact CG-CD2 3.95Å; F969-L1118 HydrophobicContact CZ-CB 3.93Å; F969-L1118 HydrophobicContact CZ-CD2 4.32Å |
| 970 | T | 92.8 | Very high | 87.1 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.5 | -177.4 | -69.3 | 0 | 0 | 0 | 0 | 108.6 | S942 N943 E968 K1073 V1074 K1075 | S942-T970 CarbonylContact C-O 3.6Å; S942-T970 WeakPolarHBondContact CA-O 3.42Å; N943-T970 PolarHBondContact N-O 3.22Å; N943-T970 PolarHBondContact OD1-N 2.84Å; N943-T970 PolarHBondContact OD1-O 2.87Å; E968-T970 WeakPolarHBondContact CG-OG1 3.32Å; E968-T970 PolarHBondContact OE1-OG1 2.92Å; T970-K1073 HydrophobicContact CG2-CD 4.35Å; T970-K1073 VanDerWaalsContact CG2-CE 3.41Å; T970-K1073 HydrophobicContact CG2-CG 3.95Å; T970-V1074 WeakPolarHBondContact CA-O 2.81Å; T970-K1075 HydrophobicContact CG2-CG 3.97Å |
| 971 | F | 93.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.2 | 172.9 | 64.7 | -90.6 | 0 | 0 | 0 | 110.8 | E941 F969 V973 I989 L991 V1074 L1097 V1116 | E941-F971 CarbonylContact O-C 3.48Å; E941-F971 VanDerWaalsContact O-CA 3.29Å; E941-F971 WeakPolarHBondContact O-CA 3.19Å; F969-F971 HydrophobicContact CD1-CD1 4.27Å; F969-F971 AromaticContact CE1-CD1 3.71Å; F969-F971 HydrophobicContact CE1-CD1 3.71Å; F969-F971 HydrophobicContact CE1-CE1 4.13Å; F969-F971 HydrophobicContact CZ-CD1 4Å; F971-V973 HydrophobicContact CD2-CG2 3.93Å; F971-V973 HydrophobicContact CE2-CG2 3.83Å; F971-I989 HydrophobicContact CE2-CG2 4.24Å; F971-I989 HydrophobicContact CZ-CG2 4.04Å; F971-L991 HydrophobicContact CE1-CD2 3.96Å; F971-L991 HydrophobicContact CZ-CD2 3.79Å; F971-V1074 HydrophobicContact CD1-CB 4.41Å; F971-V1074 HydrophobicContact CD2-CB 4.3Å; F971-V1074 HydrophobicContact CE1-CB 3.99Å; F971-V1074 HydrophobicContact CE1-CG1 3.93Å; F971-V1074 HydrophobicContact CE2-CB 3.86Å; F971-V1074 HydrophobicContact CE2-CG1 4.43Å; F971-V1074 HydrophobicContact CE2-CG2 3.87Å; F971-V1074 HydrophobicContact CZ-CB 3.71Å; F971-V1074 HydrophobicContact CZ-CG1 3.78Å; F971-V1074 HydrophobicContact CZ-CG2 4.03Å; F971-V1074 PolarHBondContact N-O 3.47Å; F971-V1074 PolarHBondContact O-N 3.37Å; F971-L1097 HydrophobicContact CE2-CD2 4.36Å; F971-V1116 HydrophobicContact CB-CG1 4.11Å; F971-V1116 HydrophobicContact CD1-CG1 4.23Å; F971-V1116 HydrophobicContact CD2-CG1 4.28Å; F971-V1116 HydrophobicContact CD2-CG2 3.98Å; F971-V1116 HydrophobicContact CE2-CG2 4.16Å; F971-V1116 HydrophobicContact CG-CG1 3.96Å; F971-V1116 HydrophobicContact CG-CG2 4.49Å |
| 972 | T | 93.5 | Very high | 86.3 | Confident | 30 Ų | 30 | 32.6 Ų | 32.6 | 18% | 0.184 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.8 | 177.8 | -52.6 | 0 | 0 | 0 | 0 | 108.4 | T940 E941 L1071 V1072 | T940-T972 VanDerWaalsContact CA-O 3.27Å; T940-T972 WeakPolarHBondContact CA-O 3.36Å; E941-T972 PolarHBondContact N-O 3.44Å; E941-T972 PolarHBondContact O-N 3.42Å; T972-L1071 HydrophobicContact CG2-CB 4.26Å; T972-L1071 HydrophobicContact CG2-CD2 4.32Å; T972-V1072 WeakPolarHBondContact CA-O 3.28Å |
| 973 | V | 93.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.7 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | T940 F971 V975 L987 I989 L1071 V1072 L1097 | T940-V973 HydrophobicContact CG2-CG2 4.49Å; F971-V973 HydrophobicContact CD2-CG2 3.93Å; F971-V973 HydrophobicContact CE2-CG2 3.83Å; V973-V975 HydrophobicContact CG1-CG2 4.4Å; V973-L987 HydrophobicContact CG1-CD1 4.35Å; V973-L987 HydrophobicContact CG1-CD2 4.01Å; V973-I989 HydrophobicContact CG2-CD1 4.15Å; V973-L1071 CarbonylContact O-C 3.38Å; V973-L1071 WeakPolarHBondContact O-CA 3.28Å; V973-V1072 HydrophobicContact CB-CB 4.44Å; V973-V1072 PolarHBondContact N-O 3.27Å; V973-V1072 PolarHBondContact O-N 2.86Å; V973-L1097 HydrophobicContact CB-CD1 4.41Å; V973-L1097 HydrophobicContact CG1-CD1 3.85Å; V973-L1097 HydrophobicContact CG2-CD1 3.75Å; V973-L1097 HydrophobicContact CG2-CD2 3.74Å; V973-L1097 HydrophobicContact CG2-CG 4.43Å |
| 974 | K | 92.4 | Very high | 86 | Confident | 70 Ų | 70 | 26.8 Ų | 26.8 | 30% | 0.304 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.2 | 175.6 | 174.3 | 177.8 | -177.7 | 176.2 | 0 | 109.4 | S939 S976 D1069 Y1070 L1071 | S939-K974 PolarHBondContact N-O 3.44Å; S939-K974 PolarHBondContact O-N 2.86Å; S939-K974 WeakPolarHBondContact OG-CB 3.37Å; S939-K974 PolarHBondContact OG-O 2.81Å; K974-S976 VanDerWaalsContact CE-OG 3.31Å; K974-S976 WeakPolarHBondContact CE-OG 3.2Å; K974-D1069 WeakPolarHBondContact CE-OD1 3.4Å; K974-D1069 WeakPolarHBondContact CE-OD2 3.4Å; K974-D1069 IonicContact NZ-OD1 2.82Å; K974-D1069 IonicContact NZ-OD2 3.02Å; K974-D1069 PolarHBondContact NZ-OD2 2.76Å; K974-Y1070 WeakPolarHBondContact CA-O 3.47Å; K974-L1071 HydrophobicContact CB-CD2 3.56Å; K974-L1071 HydrophobicContact CD-CD2 4.13Å; K974-L1071 HydrophobicContact CG-CD2 3.67Å |
| 975 | V | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.1 | 173.2 | -170.2 | 0 | 0 | 0 | 0 | 108 | V936 L938 V973 I977 L985 L987 L1061 Y1070 | V936-V975 HydrophobicContact CG1-CG1 3.86Å; L938-V975 HydrophobicContact CD2-CB 4.32Å; L938-V975 HydrophobicContact CD2-CG1 4.2Å; L938-V975 HydrophobicContact CD2-CG2 3.76Å; V973-V975 HydrophobicContact CG1-CG2 4.4Å; V975-I977 HydrophobicContact CG1-CD1 4.19Å; V975-L985 HydrophobicContact CG1-CD1 4.42Å; V975-L987 HydrophobicContact CG2-CD2 4.08Å; V975-L1061 HydrophobicContact CB-CD2 3.89Å; V975-L1061 HydrophobicContact CG1-CD2 4Å; V975-L1061 HydrophobicContact CG2-CD2 4.04Å; V975-Y1070 PolarHBondContact N-O 2.98Å; V975-Y1070 PolarHBondContact O-N 3.2Å |
| 976 | S | 89.5 | Confident | 86.3 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 18% | 0.182 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.7 | 178.2 | -69.6 | 0 | 0 | 0 | 0 | 110.4 | V936 V937 K974 D1069 | V936-S976 WeakPolarHBondContact CA-O 3.35Å; V937-S976 PolarHBondContact N-O 3.1Å; V937-S976 PolarHBondContact O-N 2.71Å; K974-S976 VanDerWaalsContact CE-OG 3.31Å; K974-S976 WeakPolarHBondContact CE-OG 3.2Å; S976-D1069 VanDerWaalsContact CB-OD1 3.31Å; S976-D1069 WeakPolarHBondContact CB-OD1 3.36Å; S976-D1069 PolarHBondContact OG-OD1 2.85Å |
| 977 | I | 87.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | trans | -95.9 | 130.4 | 178.9 | -52.1 | -56.3 | 0 | 0 | 0 | 109.9 | V936 V975 L982 L985 T1064 K1067 S1068 Y1070 | V936-I977 HydrophobicContact CG2-CD1 4.03Å; V975-I977 HydrophobicContact CG1-CD1 4.19Å; I977-L982 HydrophobicContact CD1-CD1 4.44Å; I977-L985 HydrophobicContact CD1-CD1 3.41Å; I977-L985 VanDerWaalsContact CD1-CD1 3.41Å; I977-T1064 HydrophobicContact CD1-CG2 4.46Å; I977-K1067 VanDerWaalsContact O-CA 3.3Å; I977-K1067 WeakPolarHBondContact O-CA 3.5Å; I977-K1067 PolarHBondContact O-N 2.94Å; I977-S1068 PolarHBondContact N-O 3.16Å; I977-Y1070 HydrophobicContact CD1-CD2 4.36Å; I977-Y1070 HydrophobicContact CD1-CE2 4.48Å; I977-Y1070 HydrophobicContact CG1-CD2 3.78Å; I977-Y1070 HydrophobicContact CG1-CE2 3.61Å | ||
| 978 | G | 82.1 | Confident | 86.6 | Confident | 18 Ų | 18 | 26 Ų | 26 | 19% | 0.186 | 14% | 0.144 | C | C | . | . | trans | -72.2 | -152.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G935 F980 V1066 K1067 | G935-G978 PolarHBondContact O-N 3.1Å; G978-F980 VanDerWaalsContact C-N 3.29Å; G978-V1066 WeakPolarHBondContact O-CA 2.86Å; G978-K1067 PolarHBondContact O-N 2.8Å | ||
| 979 | M | 75.4 | Confident | 86.7 | Confident | 96 Ų | 96 | 22.5 Ų | 22.5 | 47% | 0.473 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -87 | 2.4 | 176.6 | -70.2 | -171.5 | 58.9 | 0 | 0 | 113.6 | A820 K1067 | A820-M979 HydrophobicContact CB-CB 3.74Å; M979-K1067 HydrophobicContact CG-CG 4.27Å |
| 980 | F | 73.2 | Confident | 86.7 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -93.3 | 124.2 | 179.6 | -167.3 | -85.3 | 0 | 0 | 0 | 109.5 | F897 F932 T934 G978 L982 L1107 | F897-F980 HydrophobicContact CB-CE2 4.35Å; F897-F980 HydrophobicContact CD1-CD2 4.13Å; F897-F980 AromaticContact CD1-CE2 3.67Å; F897-F980 HydrophobicContact CD1-CE2 3.67Å; F897-F980 HydrophobicContact CE1-CD2 4.46Å; F897-F980 HydrophobicContact CE1-CE2 4.22Å; F897-F980 HydrophobicContact CG-CD2 4.33Å; F897-F980 HydrophobicContact CG-CE2 4.11Å; F932-F980 HydrophobicContact CB-CE2 3.85Å; F932-F980 HydrophobicContact CB-CZ 4.11Å; F932-F980 HydrophobicContact CD1-CE2 4.03Å; F932-F980 AromaticContact CG-CE2 3.94Å; F932-F980 HydrophobicContact CG-CE2 3.94Å; F932-F980 HydrophobicContact CG-CZ 4.18Å; T934-F980 HydrophobicContact CG2-CD1 4.47Å; G978-F980 VanDerWaalsContact C-N 3.29Å; F980-L982 HydrophobicContact CD1-CD2 3.56Å; F980-L982 HydrophobicContact CD1-CG 3.98Å; F980-L982 HydrophobicContact CE1-CD2 3.79Å; F980-L982 PolarHBondContact O-N 3.23Å; F980-L1107 HydrophobicContact CE1-CD1 4.47Å; F980-L1107 HydrophobicContact CE1-CD2 3.48Å; F980-L1107 VanDerWaalsContact CE1-CD2 3.48Å; F980-L1107 HydrophobicContact CZ-CD2 3.44Å; F980-L1107 VanDerWaalsContact CZ-CD2 3.44Å |
| 981 | P | 69.5 | Low | 86.7 | Confident | 67 Ų | 67 | 22.6 Ų | 22.6 | 44% | 0.435 | 13% | 0.128 | S | C | . | . | trans | -70.6 | 125.5 | 178.3 | 28.8 | -32.7 | 0 | 0 | 0 | 110 | V1066 | P981-V1066 HydrophobicContact CB-CG1 4.27Š| ||
| 982 | L | 77.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.8 | 179.5 | -66.4 | 171.4 | 0 | 0 | 0 | 110.4 | T934 V936 I977 F980 L985 T1064 L1107 | T934-L982 HydrophobicContact CG2-CD1 4.36Å; T934-L982 HydrophobicContact CG2-CD2 3.75Å; V936-L982 HydrophobicContact CG2-CD1 3.36Å; I977-L982 HydrophobicContact CD1-CD1 4.44Å; F980-L982 HydrophobicContact CD1-CD2 3.56Å; F980-L982 HydrophobicContact CD1-CG 3.98Å; F980-L982 HydrophobicContact CE1-CD2 3.79Å; F980-L982 PolarHBondContact O-N 3.23Å; L982-L985 HydrophobicContact CD1-CD1 3.84Å; L982-L985 HydrophobicContact CD1-CD2 3.99Å; L982-L985 HydrophobicContact CD1-CG 4.04Å; L982-T1064 WeakPolarHBondContact CB-OG1 3.32Å; L982-T1064 PolarHBondContact O-N 2.81Å; L982-T1064 PolarHBondContact O-OG1 2.76Å; L982-L1107 HydrophobicContact CD2-CD1 4Å |
| 983 | S | 75.8 | Confident | 86.6 | Confident | 40 Ų | 40 | 22.5 Ų | 22.5 | 28% | 0.28 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -39.2 | 175.9 | 42.1 | 0 | 0 | 0 | 0 | 112.7 | S533 K1062 D1063 | S533-S983 WeakPolarHBondContact OG-CB 3.25Å; S983-K1062 CarbonylContact O-C 3.53Å; S983-K1062 WeakPolarHBondContact O-CA 3.37Å; S983-D1063 PolarHBondContact O-N 2.75Å |
| 984 | L | 83.4 | Confident | 86.5 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 128 | -170.5 | -164.8 | 65.8 | 0 | 0 | 0 | 112.9 | T528 I531 F986 I1060 K1062 S1102 | T528-L984 HydrophobicContact CG2-CD2 4.42Å; I531-L984 HydrophobicContact CG2-CD1 3.82Å; I531-L984 HydrophobicContact CG2-CD2 4.25Å; L984-F986 HydrophobicContact CD2-CE1 4.32Å; L984-F986 HydrophobicContact CD2-CE2 3.76Å; L984-F986 HydrophobicContact CD2-CZ 3.42Å; L984-F986 VanDerWaalsContact CD2-CZ 3.42Å; L984-F986 HydrophobicContact CG-CE2 3.95Å; L984-F986 HydrophobicContact CG-CZ 3.87Å; L984-I1060 HydrophobicContact CD1-CG2 3.49Å; L984-I1060 VanDerWaalsContact CD1-CG2 3.49Å; L984-K1062 HydrophobicContact CD1-CG 3.82Å; L984-S1102 PolarHBondContact O-N 3.48Å |
| 985 | L | 88.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.1 | 175.4 | -74.8 | 174.5 | 0 | 0 | 0 | 110.5 | V936 V975 I977 L982 I1060 L1061 T1064 V1099 K1100 T1101 | V936-L985 HydrophobicContact CG2-CD1 4.13Å; V936-L985 HydrophobicContact CG2-CD2 4.49Å; V975-L985 HydrophobicContact CG1-CD1 4.42Å; I977-L985 HydrophobicContact CD1-CD1 3.41Å; I977-L985 VanDerWaalsContact CD1-CD1 3.41Å; L982-L985 HydrophobicContact CD1-CD1 3.84Å; L982-L985 HydrophobicContact CD1-CD2 3.99Å; L982-L985 HydrophobicContact CD1-CG 4.04Å; L985-I1060 WeakPolarHBondContact O-CA 3.39Å; L985-L1061 HydrophobicContact CB-CB 4.08Å; L985-L1061 PolarHBondContact N-O 2.82Å; L985-L1061 PolarHBondContact O-N 2.83Å; L985-T1064 HydrophobicContact CD1-CG2 4.47Å; L985-V1099 HydrophobicContact CD2-CG2 4.15Å; L985-K1100 CarbonylContact C-O 3.54Å; L985-K1100 WeakPolarHBondContact CA-O 3.42Å; L985-T1101 HydrophobicContact CD2-CG2 3.73Å |
| 986 | F | 90 | Very high | 86.2 | Confident | 63 Ų | 63 | 30.8 Ų | 30.8 | 28% | 0.276 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.3 | 176.3 | -59.1 | -83.8 | 0 | 0 | 0 | 108.9 | L984 C1059 I1060 V1099 K1100 | L984-F986 HydrophobicContact CD2-CE1 4.32Å; L984-F986 HydrophobicContact CD2-CE2 3.76Å; L984-F986 HydrophobicContact CD2-CZ 3.42Å; L984-F986 VanDerWaalsContact CD2-CZ 3.42Å; L984-F986 HydrophobicContact CG-CE2 3.95Å; L984-F986 HydrophobicContact CG-CZ 3.87Å; F986-C1059 CarbonylContact C-O 3.53Å; F986-I1060 HydrophobicContact CD1-CG1 4.06Å; F986-I1060 HydrophobicContact CE1-CD1 4.32Å; F986-I1060 HydrophobicContact CE1-CG1 4.2Å; F986-I1060 HydrophobicContact CE1-CG2 4.42Å; F986-V1099 CarbonylContact O-C 3.58Å; F986-V1099 WeakPolarHBondContact O-CA 3.4Å; F986-K1100 PolarHBondContact N-O 2.84Å; F986-K1100 PolarHBondContact O-N 2.83Å |
| 987 | L | 92.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 120.5 | 172.4 | 172.3 | 68.9 | 0 | 0 | 0 | 108.8 | L938 V973 V975 I989 C1059 L1061 V1072 D1098 | L938-L987 HydrophobicContact CD2-CD1 4.29Å; V973-L987 HydrophobicContact CG1-CD1 4.35Å; V973-L987 HydrophobicContact CG1-CD2 4.01Å; V975-L987 HydrophobicContact CG2-CD2 4.08Å; L987-I989 HydrophobicContact CD2-CD1 4.29Å; L987-I989 HydrophobicContact CD2-CG1 4.36Å; L987-I989 HydrophobicContact CG-CG1 4.18Å; L987-C1059 HydrophobicContact CB-CB 4.03Å; L987-C1059 HydrophobicContact CD2-CB 4.26Å; L987-C1059 HydrophobicContact CG-CB 4.4Å; L987-C1059 PolarHBondContact N-O 2.87Å; L987-C1059 PolarHBondContact O-N 2.99Å; L987-L1061 HydrophobicContact CB-CD1 4Å; L987-V1072 HydrophobicContact CD2-CG2 4.16Å; L987-D1098 CarbonylContact C-O 3.57Å; L987-D1098 WeakPolarHBondContact CA-O 3.49Å |
| 988 | T | 93.2 | Very high | 85.9 | Confident | 26 Ų | 26 | 33.6 Ų | 33.6 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.9 | 173.4 | -52.7 | 0 | 0 | 0 | 0 | 109.1 | K1056 I1057 L1097 D1098 | T988-K1056 HydrophobicContact CG2-CB 4.44Å; T988-K1056 HydrophobicContact CG2-CD 4.38Å; T988-I1057 WeakPolarHBondContact CA-O 3.31Å; T988-L1097 WeakPolarHBondContact O-CA 3.24Å; T988-D1098 PolarHBondContact N-O 3.22Å; T988-D1098 PolarHBondContact O-N 2.99Å |
| 989 | I | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.6 | 175.2 | -50.5 | 179.7 | 0 | 0 | 0 | 107.1 | F971 V973 L987 L991 K1056 I1057 V1072 V1074 L1097 | F971-I989 HydrophobicContact CE2-CG2 4.24Å; F971-I989 HydrophobicContact CZ-CG2 4.04Å; V973-I989 HydrophobicContact CG2-CD1 4.15Å; L987-I989 HydrophobicContact CD2-CD1 4.29Å; L987-I989 HydrophobicContact CD2-CG1 4.36Å; L987-I989 HydrophobicContact CG-CG1 4.18Å; I989-L991 HydrophobicContact CG2-CD2 4.22Å; I989-L991 HydrophobicContact CG2-CG 4.32Å; I989-K1056 WeakPolarHBondContact O-CA 3.42Å; I989-I1057 HydrophobicContact CB-CB 4.19Å; I989-I1057 HydrophobicContact CB-CD1 4.49Å; I989-I1057 HydrophobicContact CG2-CD1 4.46Å; I989-I1057 PolarHBondContact N-O 2Å; I989-I1057 PolarHBondContact O-N 3.46Å; I989-V1072 HydrophobicContact CD1-CG1 4.19Å; I989-V1074 HydrophobicContact CD1-CG2 3.68Å; I989-L1097 HydrophobicContact CB-CD2 4.06Å; I989-L1097 HydrophobicContact CD1-CD2 4.39Å; I989-L1097 HydrophobicContact CG1-CD2 3.77Å; I989-L1097 HydrophobicContact CG2-CD2 3.72Å |
| 990 | S | 93.3 | Very high | 87.1 | Confident | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.4 | 178.5 | -51.8 | 0 | 0 | 0 | 0 | 109.9 | C1049 S1095 S1096 | S990-C1049 WeakPolarHBondContact CB-SG 3.2Å; S990-S1095 WeakPolarHBondContact O-CA 3.5Å; S990-S1096 WeakPolarHBondContact CB-OG 3.37Å; S990-S1096 PolarHBondContact N-O 3.11Å; S990-S1096 PolarHBondContact O-N 2.75Å |
| 991 | L | 92.6 | Very high | 88.1 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.3 | -176 | -68.4 | 177.6 | 0 | 0 | 0 | 110.8 | F971 I989 V993 L1002 L1004 C1054 E1055 I1057 V1074 T1076 S1095 | F971-L991 HydrophobicContact CE1-CD2 3.96Å; F971-L991 HydrophobicContact CZ-CD2 3.79Å; I989-L991 HydrophobicContact CG2-CD2 4.22Å; I989-L991 HydrophobicContact CG2-CG 4.32Å; L991-V993 HydrophobicContact CB-CG1 4.48Å; L991-V993 PolarHBondContact O-N 2.92Å; L991-L1002 HydrophobicContact CD2-CD1 4.43Å; L991-L1004 HydrophobicContact CD1-CB 4.44Å; L991-L1004 HydrophobicContact CD1-CD1 3.91Å; L991-C1054 VanDerWaalsContact C-SG 3.55Å; L991-C1054 CarbonylContact O-C 3.5Å; L991-C1054 WeakPolarHBondContact O-CA 3.26Å; L991-C1054 WeakPolarHBondContact O-CB 3.46Å; L991-C1054 PolarHBondContact O-SG 3.28Å; L991-E1055 PolarHBondContact N-O 2.83Å; L991-E1055 PolarHBondContact O-N 2.94Å; L991-I1057 HydrophobicContact CD1-CD1 3.5Å; L991-I1057 HydrophobicContact CD1-CG1 4.46Å; L991-I1057 HydrophobicContact CG-CD1 4.22Å; L991-V1074 HydrophobicContact CD1-CG1 4.32Å; L991-T1076 HydrophobicContact CD1-CG2 4.36Å; L991-S1095 WeakPolarHBondContact CD2-OG 3.43Å |
| 992 | P | 94 | Very high | 89.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 108.6 | 171.7 | 28.9 | -34.3 | 0 | 0 | 0 | 110.5 | L1001 L1002 A1052 C1054 L1093 I1094 | P992-L1001 HydrophobicContact CB-CD1 4.2Å; P992-L1001 WeakPolarHBondContact O-CB 3.4Å; P992-L1002 HydrophobicContact CG-CD1 4.12Å; P992-L1002 WeakPolarHBondContact O-CB 3.43Å; P992-L1002 PolarHBondContact O-N 2.95Å; P992-A1052 HydrophobicContact CB-CB 4.07Å; P992-C1054 WeakPolarHBondContact CA-SG 3.17Å; P992-L1093 HydrophobicContact CB-CD1 4.17Å; P992-L1093 HydrophobicContact CG-CD1 3.64Å; P992-L1093 HydrophobicContact CG-CG 4.21Å; P992-I1094 WeakPolarHBondContact CD-O 3.36Å; P992-I1094 WeakPolarHBondContact CG-O 3.37Å |
| 993 | V | 91.4 | Very high | 89.7 | Confident | 28 Ų | 28 | 26.2 Ų | 26.2 | 17% | 0.17 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -26 | -175.8 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | L991 P1000 L1001 K1053 E1055 | L991-V993 HydrophobicContact CB-CG1 4.48Å; L991-V993 PolarHBondContact O-N 2.92Å; V993-P1000 CarbonylContact O-C 3.52Å; V993-P1000 WeakPolarHBondContact O-CA 3.32Å; V993-L1001 PolarHBondContact O-N 2.8Å; V993-K1053 WeakPolarHBondContact CG2-O 3.28Å; V993-K1053 PolarHBondContact N-O 3.12Å; V993-E1055 HydrophobicContact CB-CG 4.35Å; V993-E1055 HydrophobicContact CG1-CB 3.92Å; V993-E1055 HydrophobicContact CG1-CG 3.72Å; V993-E1055 HydrophobicContact CG2-CG 3.77Å |
| 994 | K | 91.6 | Very high | 90.2 | Very high | 81 Ų | 81 | 25.2 Ų | 25.2 | 35% | 0.352 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 148 | -179.3 | -67.2 | -178.6 | 173.4 | -174.4 | 0 | 113 | E998 N999 A1052 K1053 | K994-E998 WeakPolarHBondContact CD-OE2 3.45Å; K994-E998 IonicContact NZ-OE2 2.75Å; K994-E998 PolarHBondContact NZ-OE2 2.89Å; K994-E998 VanDerWaalsContact NZ-OE2 3.11Å; K994-N999 CarbonylContact C-O 3.51Å; K994-N999 WeakPolarHBondContact CA-O 3.4Å; K994-A1052 CarbonylContact O-C 3.46Å; K994-A1052 WeakPolarHBondContact O-CA 3.4Å; K994-A1052 WeakPolarHBondContact O-CB 3.43Å; K994-K1053 HydrophobicContact CB-CB 4.31Å; K994-K1053 PolarHBondContact N-O 3.39Å; K994-K1053 PolarHBondContact O-N 2.92Å |
| 995 | T | 91.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | trans | -73.5 | 172.4 | 169 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | G997 E998 N999 L1001 E1039 T1082 | T995-G997 VanDerWaalsContact C-N 3.29Å; T995-G997 PolarHBondContact O-N 2.9Å; T995-E998 PolarHBondContact O-N 3.34Å; T995-E998 VanDerWaalsContact O-N 3.16Å; T995-N999 HydrophobicContact CG2-CB 4.19Å; T995-N999 PolarHBondContact N-O 3.38Å; T995-N999 WeakPolarHBondContact OG1-CB 3.49Å; T995-N999 PolarHBondContact OG1-N 2.91Å; T995-N999 VanDerWaalsContact OG1-N 3.11Å; T995-L1001 HydrophobicContact CG2-CD1 3.99Å; T995-L1001 HydrophobicContact CG2-CD2 3.71Å; T995-L1001 HydrophobicContact CG2-CG 3.94Å; T995-E1039 WeakPolarHBondContact CB-OE2 3.25Å; T995-E1039 WeakPolarHBondContact CG2-OE2 3.49Å; T995-E1039 PolarHBondContact OG1-OE1 2.91Å; T995-E1039 PolarHBondContact OG1-OE2 2.85Å; T995-T1082 HydrophobicContact CG2-CG2 4.47Å | ||
| 996 | K | 85.3 | Confident | 90.1 | Very high | 161 Ų | 161 | 26.6 Ų | 26.6 | 70% | 0.7 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.1 | 175 | -77.4 | 179.3 | -178.1 | 175.7 | 0 | 113.8 | E998 | K996-E998 VanDerWaalsContact C-N 3.28Š|
| 997 | G | 82.9 | Confident | 90 | Very high | 24 Ų | 24 | 25.3 Ų | 25.3 | 25% | 0.247 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 19.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | T995 R1037 E1039 | T995-G997 VanDerWaalsContact C-N 3.29Å; T995-G997 PolarHBondContact O-N 2.9Å; G997-R1037 WeakPolarHBondContact O-CD 3.36Å; G997-R1037 PolarHBondContact O-NH1 3.41Å; G997-E1039 WeakPolarHBondContact CA-OE1 3.35Å; G997-E1039 PolarHBondContact N-OE1 3.33Å |
| 998 | E | 88.4 | Confident | 89.7 | Confident | 69 Ų | 69 | 28.8 Ų | 28.8 | 32% | 0.322 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 74.5 | 15 | 172.8 | -61.5 | -69 | 142.6 | 0 | 0 | 116.2 | K994 T995 K996 K1053 | K994-E998 WeakPolarHBondContact CD-OE2 3.45Å; K994-E998 IonicContact NZ-OE2 2.75Å; K994-E998 PolarHBondContact NZ-OE2 2.89Å; K994-E998 VanDerWaalsContact NZ-OE2 3.11Å; T995-E998 PolarHBondContact O-N 3.34Å; T995-E998 VanDerWaalsContact O-N 3.16Å; K996-E998 VanDerWaalsContact C-N 3.28Å; E998-K1053 WeakPolarHBondContact OE1-CE 2.92Å; E998-K1053 IonicContact OE1-NZ 3.16Å; E998-K1053 PolarHBondContact OE1-NZ 2.84Å |
| 999 | N | 90.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | trans | -75.3 | 134.7 | 172 | -75.2 | -32.6 | 0 | 0 | 0 | 111.2 | K994 T995 R1037 E1039 T1082 | K994-N999 CarbonylContact C-O 3.51Å; K994-N999 WeakPolarHBondContact CA-O 3.4Å; T995-N999 HydrophobicContact CG2-CB 4.19Å; T995-N999 PolarHBondContact N-O 3.38Å; T995-N999 WeakPolarHBondContact OG1-CB 3.49Å; T995-N999 PolarHBondContact OG1-N 2.91Å; T995-N999 VanDerWaalsContact OG1-N 3.11Å; N999-R1037 PolarHBondContact ND2-O 3.29Å; N999-R1037 PolarHBondContact OD1-N 3.22Å; N999-E1039 VanDerWaalsContact ND2-CG 3.34Å; N999-E1039 WeakPolarHBondContact ND2-CG 3.49Å; N999-E1039 PolarHBondContact ND2-OE2 3.42Å; N999-T1082 HydrophobicContact CB-CG2 3.59Å | ||
| 1000 | P | 91.5 | Very high | 88.1 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -74.7 | 148.7 | -178.7 | 33.9 | -37.9 | 0 | 0 | 0 | 112.2 | V993 V1034 F1036 W1079 T1082 | V993-P1000 CarbonylContact O-C 3.52Å; V993-P1000 WeakPolarHBondContact O-CA 3.32Å; P1000-V1034 HydrophobicContact CG-CG1 4.24Å; P1000-F1036 HydrophobicContact CG-CD1 4.23Å; P1000-F1036 HydrophobicContact CG-CE1 3.74Å; P1000-W1079 HydrophobicContact CB-CB 4.46Å; P1000-W1079 HydrophobicContact CB-CD2 3.95Å; P1000-W1079 HydrophobicContact CB-CG 3.74Å; P1000-W1079 HydrophobicContact CG-CB 4.23Å; P1000-W1079 HydrophobicContact CG-CD2 3.69Å; P1000-W1079 HydrophobicContact CG-CE3 4.14Å; P1000-W1079 HydrophobicContact CG-CG 3.74Å; P1000-W1079 WeakPolarHBondContact O-CB 3.39Å; P1000-T1082 WeakPolarHBondContact CD-OG1 3.29Å; P1000-T1082 WeakPolarHBondContact O-CB 3.42Å; P1000-T1082 PolarHBondContact O-OG1 2.99Å |
| 1001 | L | 92.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -120.3 | -84.4 | -173.8 | -67.8 | 175.4 | 0 | 0 | 0 | 112.1 | P992 V993 T995 L1047 A1052 W1079 T1082 F1083 L1093 | P992-L1001 HydrophobicContact CB-CD1 4.2Å; P992-L1001 WeakPolarHBondContact O-CB 3.4Å; V993-L1001 PolarHBondContact O-N 2.8Å; T995-L1001 HydrophobicContact CG2-CD1 3.99Å; T995-L1001 HydrophobicContact CG2-CD2 3.71Å; T995-L1001 HydrophobicContact CG2-CG 3.94Å; L1001-L1047 HydrophobicContact CD1-CD1 4.29Å; L1001-L1047 HydrophobicContact CD2-CD1 3.94Å; L1001-A1052 HydrophobicContact CD1-CB 3.95Å; L1001-W1079 VanDerWaalsContact O-CD1 3.29Å; L1001-W1079 PolarHBondContact O-N 2.9Å; L1001-T1082 HydrophobicContact CD2-CG2 4Å; L1001-F1083 HydrophobicContact CD2-CE1 4.22Å; L1001-F1083 HydrophobicContact CD2-CE2 4.16Å; L1001-F1083 HydrophobicContact CD2-CZ 3.64Å; L1001-L1093 HydrophobicContact CB-CD1 4.43Å; L1001-L1093 HydrophobicContact CD1-CD1 4.2Å | ||
| 1002 | L | 91.7 | Very high | 84.4 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135 | 172.9 | -64.8 | 177.1 | 0 | 0 | 0 | 110.9 | F969 L991 P992 I1078 L1093 | F969-L1002 HydrophobicContact CD1-CD1 4.44Å; F969-L1002 HydrophobicContact CD1-CD2 4.06Å; L991-L1002 HydrophobicContact CD2-CD1 4.43Å; P992-L1002 HydrophobicContact CG-CD1 4.12Å; P992-L1002 WeakPolarHBondContact O-CB 3.43Å; P992-L1002 PolarHBondContact O-N 2.95Å; L1002-I1078 HydrophobicContact CD2-CG1 4.12Å; L1002-L1093 HydrophobicContact CD1-CD2 4.14Å; L1002-L1093 HydrophobicContact CD1-CG 4.39Å; L1002-L1093 HydrophobicContact CD2-CD2 3.6Å; L1002-L1093 HydrophobicContact CG-CD2 3.75Å; L1002-L1093 HydrophobicContact CG-CG 4.41Å |
| 1003 | Y | 88.9 | Confident | 82.5 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.5 | 174.9 | -172.9 | -104.7 | 0 | 0 | 0 | 110.8 | L962 I965 T1005 N1023 P1025 I1027 T1076 R1077 W1079 | L962-Y1003 HydrophobicContact CD2-CD1 4.33Å; L962-Y1003 HydrophobicContact CD2-CE1 3.8Å; I965-Y1003 HydrophobicContact CD1-CD1 3.59Å; I965-Y1003 HydrophobicContact CD1-CE1 3.97Å; I965-Y1003 HydrophobicContact CD1-CG 3.91Å; Y1003-T1005 HydrophobicContact CD1-CG2 3.91Å; Y1003-T1005 HydrophobicContact CE1-CG2 4.23Å; Y1003-T1005 PolarHBondContact O-N 2.93Å; Y1003-N1023 WeakPolarHBondContact OH-CA 3.2Å; Y1003-N1023 PolarHBondContact OH-OD1 2.78Å; Y1003-P1025 HydrophobicContact CE2-CG 3.71Å; Y1003-P1025 VanDerWaalsContact OH-CD 3.23Å; Y1003-P1025 WeakPolarHBondContact OH-CD 3.46Å; Y1003-P1025 VanDerWaalsContact OH-CG 3.26Å; Y1003-P1025 WeakPolarHBondContact OH-CG 3.28Å; Y1003-I1027 HydrophobicContact CE2-CD1 4.16Å; Y1003-T1076 CarbonylContact O-C 3.49Å; Y1003-T1076 WeakPolarHBondContact O-CA 3.48Å; Y1003-T1076 WeakPolarHBondContact O-CB 3.47Å; Y1003-R1077 PolarHBondContact N-O 2.99Å; Y1003-R1077 PolarHBondContact O-N 3.02Å; Y1003-W1079 HydrophobicContact CD2-CZ2 4.33Å |
| 1004 | L | 88.3 | Confident | 81.4 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.4 | -179.9 | -177.1 | 65.1 | 0 | 0 | 0 | 111.3 | L991 V1007 L1021 I1057 V1074 T1076 | L991-L1004 HydrophobicContact CD1-CB 4.44Å; L991-L1004 HydrophobicContact CD1-CD1 3.91Å; L1004-V1007 HydrophobicContact CD1-CG2 3.89Å; L1004-V1007 HydrophobicContact CD2-CG2 4.16Å; L1004-V1007 HydrophobicContact CG-CG2 4.47Å; L1004-L1021 HydrophobicContact CD2-CB 3.88Å; L1004-I1057 HydrophobicContact CD1-CD1 4.05Å; L1004-I1057 HydrophobicContact CD2-CD1 3.84Å; L1004-I1057 HydrophobicContact CD2-CG1 4.14Å; L1004-V1074 HydrophobicContact CD1-CG1 3.79Å; L1004-T1076 HydrophobicContact CD1-CG2 4.23Å |
| 1005 | T | 85.1 | Confident | 80.8 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 13% | 0.129 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -45.1 | 179 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | L962 Y1003 K1022 K1075 R1077 | L962-T1005 HydrophobicContact CD1-CG2 4.3Å; L962-T1005 HydrophobicContact CD2-CG2 4.2Å; Y1003-T1005 HydrophobicContact CD1-CG2 3.91Å; Y1003-T1005 HydrophobicContact CE1-CG2 4.23Å; Y1003-T1005 PolarHBondContact O-N 2.93Å; T1005-K1022 WeakPolarHBondContact O-CG 3.38Å; T1005-K1075 PolarHBondContact N-O 2.81Å; T1005-K1075 VanDerWaalsContact OG1-C 3.31Å; T1005-K1075 VanDerWaalsContact OG1-CB 3.25Å; T1005-K1075 WeakPolarHBondContact OG1-CB 3.45Å; T1005-K1075 PolarHBondContact OG1-O 3.35Å; T1005-R1077 HydrophobicContact CG2-CG 3.8Å |
| 1006 | S | 84.3 | Confident | 80.2 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 155.5 | 173.9 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | E1008 K1075 | S1006-E1008 PolarHBondContact OG-OE1 2.85Å; S1006-K1075 PolarHBondContact N-O 3.36Å; S1006-K1075 PolarHBondContact O-N 2.74Å; S1006-K1075 WeakPolarHBondContact OG-CD 3.43Å |
| 1007 | V | 87 | Confident | 80 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.1 | 167 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | L1004 C1017 I1057 V1072 K1073 | L1004-V1007 HydrophobicContact CD1-CG2 3.89Å; L1004-V1007 HydrophobicContact CD2-CG2 4.16Å; L1004-V1007 HydrophobicContact CG-CG2 4.47Å; V1007-C1017 HydrophobicContact CG1-CB 4.04Å; V1007-I1057 HydrophobicContact CG1-CG2 4.4Å; V1007-I1057 HydrophobicContact CG2-CD1 3.82Å; V1007-I1057 HydrophobicContact CG2-CG1 4.49Å; V1007-I1057 HydrophobicContact CG2-CG2 4.23Å; V1007-V1072 HydrophobicContact CG1-CG1 3.76Å; V1007-K1073 WeakPolarHBondContact CA-O 3.45Å |
| 1008 | E | 85.6 | Confident | 79.5 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 95.8 | -171.8 | -74 | 165.9 | -152.9 | 0 | 0 | 109.3 | S1006 K1073 K1075 | S1006-E1008 PolarHBondContact OG-OE1 2.85Å; E1008-K1073 HydrophobicContact CB-CB 4.2Å; E1008-K1073 PolarHBondContact N-O 3.07Å; E1008-K1073 WeakPolarHBondContact O-CB 3.5Å; E1008-K1073 PolarHBondContact O-N 2.82Å; E1008-K1075 WeakPolarHBondContact OE1-CE 3.37Å; E1008-K1075 IonicContact OE1-NZ 2.88Å; E1008-K1075 PolarHBondContact OE1-NZ 3.24Å; E1008-K1075 WeakPolarHBondContact OE2-CE 3.4Å; E1008-K1075 IonicContact OE2-NZ 3.71Å; E1008-K1075 PolarHBondContact OE2-NZ 2.83Å |
| 1009 | P | 82.4 | Confident | 78.4 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.7 | 171.6 | 26.5 | -30.7 | 0 | 0 | 0 | 110.8 | I1015 L1071 | P1009-I1015 HydrophobicContact CB-CB 3.92Å; P1009-I1015 HydrophobicContact CB-CD1 4.4Å; P1009-I1015 HydrophobicContact CB-CG2 3.99Å; P1009-L1071 CarbonylContact C-O 3.48Å |
| 1010 | Q | 70.6 | Confident | 76.7 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 83.8 | 177.5 | -107.2 | -174.8 | -17.9 | 0 | 0 | 109.5 | L1071 | Q1010-L1071 HydrophobicContact CB-CB 3.73Å; Q1010-L1071 HydrophobicContact CB-CD1 4.39Å; Q1010-L1071 PolarHBondContact N-O 2.78Å |
| 1011 | A | 56.6 | Low | 75.1 | Confident | 47 Ų | 47 | 56 Ų | 56 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -165.8 | 150.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G1013 I1015 Y1070 | A1011-G1013 VanDerWaalsContact C-N 3.33Å; A1011-G1013 PolarHBondContact O-N 2.86Å; A1011-I1015 HydrophobicContact CB-CD1 4.11Å; A1011-I1015 HydrophobicContact CB-CG1 4.29Å; A1011-Y1070 HydrophobicContact CB-CD1 4.22Å |
| 1012 | R | 51 | Low | 73.4 | Confident | 253 Ų | 253 | 62.4 Ų | 62.4 | 96% | 0.955 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -65.2 | 89.6 | 168.7 | -74.7 | -177.4 | -177.5 | -177.8 | 1.5 | 109.4 | ||
| 1013 | G | 54.6 | Low | 71.7 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 83% | 0.825 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 82.9 | 13.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | A1011 | A1011-G1013 VanDerWaalsContact C-N 3.33Å; A1011-G1013 PolarHBondContact O-N 2.86Å |
| 1014 | S | 68.1 | Low | 69.9 | Low | 34 Ų | 34 | 67.5 Ų | 67.5 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -118.7 | -2.1 | -178.8 | -53.2 | 0 | 0 | 0 | 0 | 115.3 | L1061 K1062 | S1014-L1061 CarbonylContact O-C 3.48Å; S1014-L1061 WeakPolarHBondContact O-CA 3.46Å; S1014-K1062 WeakPolarHBondContact CB-O 3.34Å; S1014-K1062 PolarHBondContact O-N 2.04Å |
| 1015 | I | 79 | Confident | 68.3 | Low | 21 Ų | 21 | 67.9 Ų | 67.9 | 11% | 0.108 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.3 | -179.8 | -42.5 | 176.2 | 0 | 0 | 0 | 109.2 | P1009 A1011 I1060 L1061 Y1070 V1072 | P1009-I1015 HydrophobicContact CB-CB 3.92Å; P1009-I1015 HydrophobicContact CB-CD1 4.4Å; P1009-I1015 HydrophobicContact CB-CG2 3.99Å; A1011-I1015 HydrophobicContact CB-CD1 4.11Å; A1011-I1015 HydrophobicContact CB-CG1 4.29Å; I1015-I1060 WeakPolarHBondContact CA-O 3.2Å; I1015-L1061 HydrophobicContact CG1-CG 4.14Å; I1015-L1061 HydrophobicContact CG2-CD1 4.15Å; I1015-L1061 HydrophobicContact CG2-CG 4.15Å; I1015-Y1070 HydrophobicContact CD1-CD1 3.81Å; I1015-Y1070 HydrophobicContact CD1-CG 4.21Å; I1015-Y1070 HydrophobicContact CG1-CD1 3.74Å; I1015-Y1070 HydrophobicContact CG1-CG 4.44Å; I1015-V1072 HydrophobicContact CD1-CG2 4.31Å; I1015-V1072 HydrophobicContact CG2-CG2 4.05Å |
| 1016 | S | 79 | Confident | 67 | Low | 71 Ų | 71 | 71.6 Ų | 71.6 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.8 | 171.7 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | C1059 I1060 | S1016-C1059 CarbonylContact O-C 3.58Å; S1016-C1059 VanDerWaalsContact O-CA 3.3Å; S1016-C1059 WeakPolarHBondContact O-CA 3.12Å; S1016-I1060 PolarHBondContact N-O 3.45Å; S1016-I1060 PolarHBondContact O-N 2.8Å |
| 1017 | C | 81.8 | Confident | 66 | Low | 15 Ų | 15 | 71.2 Ų | 71.2 | 10% | 0.101 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.7 | 178 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | V1007 T1019 I1057 E1058 C1059 | V1007-C1017 HydrophobicContact CG1-CB 4.04Å; C1017-T1019 PolarHBondContact O-N 3.45Å; C1017-I1057 HydrophobicContact CB-CG2 4.42Å; C1017-E1058 CarbonylContact C-O 3.56Å; C1017-E1058 VanDerWaalsContact CA-O 3.31Å; C1017-E1058 WeakPolarHBondContact CA-O 3.13Å; C1017-C1059 HydrophobicContact CB-CB 4.11Å; C1017-C1059 WeakPolarHBondContact CB-SG 3.37Å; C1017-C1059 WeakPolarHBondContact SG-CB 3.45Å; C1017-C1059 CovalentContact SG-SG 2.04Å; C1017-C1059 PolarHBondContact SG-SG 2.79Å |
| 1018 | S | 73.1 | Confident | 64.6 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 28% | 0.28 | 43% | 0.425 | S | S | . | . | trans | -58 | 122.3 | 174.7 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | E1058 | S1018-E1058 PolarHBondContact N-O 2.75Å; S1018-E1058 PolarHBondContact OG-N 3.03Å; S1018-E1058 VanDerWaalsContact OG-N 3.09Å; S1018-E1058 PolarHBondContact OG-O 3.45Å | ||
| 1019 | T | 64.3 | Low | 63.3 | Low | 115 Ų | 115 | 75.9 Ų | 75.9 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | trans | -99.3 | -2 | -178.3 | 53.5 | 0 | 0 | 0 | 0 | 114 | C1017 L1021 K1022 | C1017-T1019 PolarHBondContact O-N 3.45Å; T1019-L1021 PolarHBondContact O-N 3.33Å; T1019-K1022 PolarHBondContact O-N 3.35Å | ||
| 1020 | S | 55.8 | Low | 62.2 | Low | 107 Ų | 107 | 79.8 Ų | 79.8 | 75% | 0.748 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.4 | -175.8 | 47.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1021 | L | 56.9 | Low | 62.3 | Low | 34 Ų | 34 | 78.2 Ų | 78.2 | 18% | 0.178 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 8.9 | -176.7 | -68.1 | 165 | 0 | 0 | 0 | 113.9 | L1004 T1019 N1023 P1024 E1055 K1056 I1057 | L1004-L1021 HydrophobicContact CD2-CB 3.88Å; T1019-L1021 PolarHBondContact O-N 3.33Å; L1021-N1023 PolarHBondContact O-N 2.87Å; L1021-P1024 WeakPolarHBondContact O-CD 3.34Å; L1021-E1055 HydrophobicContact CD1-CB 4.07Å; L1021-E1055 HydrophobicContact CD2-CB 4.31Å; L1021-E1055 HydrophobicContact CD2-CG 4.11Å; L1021-E1055 WeakPolarHBondContact CD2-OE2 3.27Å; L1021-K1056 WeakPolarHBondContact CD1-O 3.46Å; L1021-I1057 HydrophobicContact CD1-CG1 4.37Å |
| 1022 | K | 57.3 | Low | 63.2 | Low | 135 Ų | 135 | 79 Ų | 79 | 59% | 0.587 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -76.9 | 119.1 | -177.6 | -167.4 | 180 | 179.7 | -177.2 | 0 | 111.4 | T1005 T1019 | T1005-K1022 WeakPolarHBondContact O-CG 3.38Å; T1019-K1022 PolarHBondContact O-N 3.35Å |
| 1023 | N | 55.1 | Low | 64.5 | Low | 35 Ų | 35 | 72.7 Ų | 72.7 | 19% | 0.187 | 44% | 0.439 | C | S | . | . | trans | 50.1 | 53.7 | 172.6 | -160.8 | 24.7 | 0 | 0 | 0 | 114.4 | Y1003 L1021 P1025 H1026 I1027 | Y1003-N1023 WeakPolarHBondContact OH-CA 3.2Å; Y1003-N1023 PolarHBondContact OH-OD1 2.78Å; L1021-N1023 PolarHBondContact O-N 2.87Å; N1023-P1025 VanDerWaalsContact C-N 3.28Å; N1023-P1025 VanDerWaalsContact O-N 3.11Å; N1023-H1026 WeakPolarHBondContact ND2-CA 3.32Å; N1023-H1026 PolarHBondContact O-N 3Å; N1023-I1027 PolarHBondContact ND2-O 2.87Å; N1023-I1027 PolarHBondContact OD1-N 2.68Å; N1023-I1027 VanDerWaalsContact OD1-N 3.12Å | ||
| 1024 | P | 51.8 | Low | 65.9 | Low | 92 Ų | 92 | 70.1 Ų | 70.1 | 60% | 0.597 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.3 | -171.2 | 12.6 | -21 | 0 | 0 | 0 | 115.4 | L1021 | L1021-P1024 WeakPolarHBondContact O-CD 3.34Š|
| 1025 | P | 54.5 | Low | 66.5 | Low | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.175 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6 | 170.7 | 22.6 | -27.5 | 0 | 0 | 0 | 117.4 | Y1003 N1023 I1027 Q1032 | Y1003-P1025 HydrophobicContact CE2-CG 3.71Å; Y1003-P1025 VanDerWaalsContact OH-CD 3.23Å; Y1003-P1025 WeakPolarHBondContact OH-CD 3.46Å; Y1003-P1025 VanDerWaalsContact OH-CG 3.26Å; Y1003-P1025 WeakPolarHBondContact OH-CG 3.28Å; N1023-P1025 VanDerWaalsContact C-N 3.28Å; N1023-P1025 VanDerWaalsContact O-N 3.11Å; P1025-I1027 HydrophobicContact CB-CD1 4.17Å; P1025-I1027 HydrophobicContact CB-CG1 3.91Å; P1025-I1027 HydrophobicContact CG-CD1 3.58Å; P1025-I1027 HydrophobicContact CG-CG1 3.76Å; P1025-I1027 PolarHBondContact O-N 3.23Å; P1025-Q1032 HydrophobicContact CB-CG 4.37Å; P1025-Q1032 PolarHBondContact O-NE2 3.09Å |
| 1026 | H | 59.2 | Low | 66.8 | Low | 99 Ų | 99 | 73.1 Ų | 73.1 | 46% | 0.458 | 43% | 0.427 | S | S | . | . | trans | 51.2 | 38.4 | -175.9 | -66.9 | -95.4 | 0 | 0 | 0 | 113.4 | N1023 G1028 E1029 Q1030 | N1023-H1026 WeakPolarHBondContact ND2-CA 3.32Å; N1023-H1026 PolarHBondContact O-N 3Å; H1026-G1028 PolarHBondContact O-N 3.02Å; H1026-E1029 HydrophobicContact CB-CB 4.35Å; H1026-E1029 IonicContact CG-OE2 3.71Å; H1026-E1029 IonicContact ND1-OE2 2.65Å; H1026-E1029 PolarHBondContact ND1-OE2 3.3Å; H1026-E1029 PolarHBondContact O-N 3.38Å; H1026-Q1030 PolarHBondContact O-N 3.37Å | ||
| 1027 | I | 62.5 | Low | 67.1 | Low | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.026 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -63.3 | 124.7 | -178.7 | -66.1 | 169.5 | 0 | 0 | 0 | 108.4 | V959 L962 I965 Y1003 N1023 P1025 Q1032 | V959-I1027 HydrophobicContact CG1-CD1 4.24Å; V959-I1027 HydrophobicContact CG1-CG2 3.73Å; L962-I1027 HydrophobicContact CD2-CB 4.33Å; L962-I1027 HydrophobicContact CD2-CG2 4.17Å; I965-I1027 HydrophobicContact CD1-CD1 4.08Å; Y1003-I1027 HydrophobicContact CE2-CD1 4.16Å; N1023-I1027 PolarHBondContact ND2-O 2.87Å; N1023-I1027 PolarHBondContact OD1-N 2.68Å; N1023-I1027 VanDerWaalsContact OD1-N 3.12Å; P1025-I1027 HydrophobicContact CB-CD1 4.17Å; P1025-I1027 HydrophobicContact CB-CG1 3.91Å; P1025-I1027 HydrophobicContact CG-CD1 3.58Å; P1025-I1027 HydrophobicContact CG-CG1 3.76Å; P1025-I1027 PolarHBondContact O-N 3.23Å; I1027-Q1032 HydrophobicContact CG1-CG 4.37Å |
| 1028 | G | 56.8 | Low | 67.1 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 60% | 0.598 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.3 | -22.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K960 H1026 | K960-G1028 PolarHBondContact O-N 3.07Å; H1026-G1028 PolarHBondContact O-N 3.02Å |
| 1029 | E | 58.6 | Low | 67.7 | Low | 151 Ų | 151 | 81.7 Ų | 81.7 | 71% | 0.706 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -32.6 | 172.6 | -65.1 | 173.6 | 175.9 | 0 | 0 | 111.7 | H1026 | H1026-E1029 HydrophobicContact CB-CB 4.35Å; H1026-E1029 IonicContact CG-OE2 3.71Å; H1026-E1029 IonicContact ND1-OE2 2.65Å; H1026-E1029 PolarHBondContact ND1-OE2 3.3Å; H1026-E1029 PolarHBondContact O-N 3.38Å |
| 1030 | Q | 59.7 | Low | 68.8 | Low | 137 Ų | 137 | 81.6 Ų | 81.6 | 64% | 0.64 | 45% | 0.445 | S | S | * | . | B | Isolated β-bridge | trans | -133.8 | 147.6 | 177.8 | -63.8 | -177 | 6.6 | 0 | 0 | 111.7 | H1026 | H1026-Q1030 PolarHBondContact O-N 3.37Å |
| 1031 | T | 72.4 | Confident | 70.2 | Confident | 86 Ų | 86 | 77.3 Ų | 77.3 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | trans | -80.5 | 133.1 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | T958 K960 | T958-T1031 HydrophobicContact CG2-CG2 3.52Å; K960-T1031 HydrophobicContact CG-CG2 3.89Å | ||
| 1032 | Q | 75.6 | Confident | 71.1 | Confident | 63 Ų | 63 | 79.1 Ų | 79.1 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.1 | 180 | -64.9 | -139.8 | -12.2 | 0 | 0 | 113 | T958 V959 P1025 I1027 | T958-Q1032 CarbonylContact C-O 3.55Å; T958-Q1032 WeakPolarHBondContact CA-O 3.31Å; V959-Q1032 PolarHBondContact N-O 2.87Å; V959-Q1032 PolarHBondContact O-N 2.61Å; P1025-Q1032 HydrophobicContact CB-CG 4.37Å; P1025-Q1032 PolarHBondContact O-NE2 3.09Å; I1027-Q1032 HydrophobicContact CG1-CG 4.37Å |
| 1033 | T | 79.4 | Confident | 71.9 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 75% | 0.748 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.1 | 172.7 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | T957 | T957-T1033 CarbonylContact O-C 3.59Å; T957-T1033 WeakPolarHBondContact O-CA 3.42Å |
| 1034 | V | 82 | Confident | 73.3 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 16% | 0.158 | 44% | 0.438 | C | S | . | . | trans | -119.5 | 133.7 | -178.6 | -174.2 | 0 | 0 | 0 | 0 | 109 | T957 V959 P1000 F1036 W1079 | T957-V1034 WeakPolarHBondContact CA-O 3.41Å; T957-V1034 WeakPolarHBondContact CB-O 3.29Å; T957-V1034 PolarHBondContact O-N 2.8Å; V959-V1034 HydrophobicContact CG2-CG2 4.04Å; P1000-V1034 HydrophobicContact CG-CG1 4.24Å; V1034-F1036 HydrophobicContact CB-CZ 4.43Å; V1034-F1036 HydrophobicContact CG1-CE1 4.18Å; V1034-F1036 HydrophobicContact CG1-CE2 4.37Å; V1034-F1036 HydrophobicContact CG1-CZ 3.92Å; V1034-W1079 HydrophobicContact CB-CH2 4.44Å; V1034-W1079 HydrophobicContact CB-CZ3 4.32Å; V1034-W1079 HydrophobicContact CG1-CH2 4.31Å; V1034-W1079 HydrophobicContact CG1-CZ3 4.12Å; V1034-W1079 HydrophobicContact CG2-CH2 3.81Å; V1034-W1079 HydrophobicContact CG2-CZ3 4.16Å | ||
| 1035 | S | 81.3 | Confident | 75 | Confident | 89 Ų | 89 | 81 Ų | 81 | 62% | 0.622 | 45% | 0.445 | S | S | * | . | trans | -107.8 | 135.2 | 177 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1036 | F | 86.1 | Confident | 76.8 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 13% | 0.127 | 45% | 0.45 | C | S | . | . | trans | -108.1 | 126.6 | 173.6 | -53 | -83.4 | 0 | 0 | 0 | 108.9 | V955 V956 T957 P1000 V1034 W1079 G1081 T1082 T1085 | V955-F1036 HydrophobicContact CG1-CD2 3.35Å; V955-F1036 HydrophobicContact CG1-CE2 3.67Å; V955-F1036 HydrophobicContact CG1-CG 4.23Å; V956-F1036 WeakPolarHBondContact O-CE2 3.4Å; T957-F1036 HydrophobicContact CG2-CD2 4.32Å; T957-F1036 HydrophobicContact CG2-CE2 4.4Å; P1000-F1036 HydrophobicContact CG-CD1 4.23Å; P1000-F1036 HydrophobicContact CG-CE1 3.74Å; V1034-F1036 HydrophobicContact CB-CZ 4.43Å; V1034-F1036 HydrophobicContact CG1-CE1 4.18Å; V1034-F1036 HydrophobicContact CG1-CE2 4.37Å; V1034-F1036 HydrophobicContact CG1-CZ 3.92Å; F1036-W1079 HydrophobicContact CE1-CD2 4.46Å; F1036-W1079 AromaticContact CE1-CE3 3.77Å; F1036-W1079 HydrophobicContact CE1-CE3 3.77Å; F1036-W1079 HydrophobicContact CE1-CZ3 4.42Å; F1036-W1079 AromaticContact CZ-CE3 3.6Å; F1036-W1079 HydrophobicContact CZ-CE3 3.6Å; F1036-W1079 AromaticContact CZ-CZ3 3.9Å; F1036-W1079 HydrophobicContact CZ-CZ3 3.9Å; F1036-G1081 VanDerWaalsContact CD1-C 3.42Å; F1036-T1082 VanDerWaalsContact CD1-N 3.31Å; F1036-T1082 WeakPolarHBondContact CD1-OG1 3.35Å; F1036-T1085 HydrophobicContact CB-CG2 4.5Å | ||
| 1037 | R | 84.2 | Confident | 78.4 | Confident | 153 Ų | 153 | 77.3 Ų | 77.3 | 58% | 0.577 | 43% | 0.429 | S | S | * | . | trans | -90.1 | 143.2 | 177.4 | -65.8 | 178.9 | 178.5 | 177.6 | -2.2 | 109.6 | G997 N999 E1039 | G997-R1037 WeakPolarHBondContact O-CD 3.36Å; G997-R1037 PolarHBondContact O-NH1 3.41Å; N999-R1037 PolarHBondContact ND2-O 3.29Å; N999-R1037 PolarHBondContact OD1-N 3.22Å; R1037-E1039 PolarHBondContact O-N 3.15Å | ||
| 1038 | D | 82.7 | Confident | 79.8 | Confident | 126 Ų | 126 | 78.6 Ų | 78.6 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | trans | -66.4 | 118.8 | 169.9 | -171.9 | 15.6 | 0 | 0 | 0 | 109.4 | ||||
| 1039 | E | 86.3 | Confident | 81.4 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 13% | 0.126 | 42% | 0.424 | C | S | . | . | trans | -125.9 | 130.6 | -178.3 | -82.7 | -172.4 | 145.8 | 0 | 0 | 109.8 | T995 G997 N999 R1037 L1041 A1086 S1087 | T995-E1039 WeakPolarHBondContact CB-OE2 3.25Å; T995-E1039 WeakPolarHBondContact CG2-OE2 3.49Å; T995-E1039 PolarHBondContact OG1-OE1 2.91Å; T995-E1039 PolarHBondContact OG1-OE2 2.85Å; G997-E1039 WeakPolarHBondContact CA-OE1 3.35Å; G997-E1039 PolarHBondContact N-OE1 3.33Å; N999-E1039 VanDerWaalsContact ND2-CG 3.34Å; N999-E1039 WeakPolarHBondContact ND2-CG 3.49Å; N999-E1039 PolarHBondContact ND2-OE2 3.42Å; R1037-E1039 PolarHBondContact O-N 3.15Å; E1039-L1041 HydrophobicContact CB-CG 4.43Å; E1039-L1041 PolarHBondContact O-N 3.37Å; E1039-A1086 HydrophobicContact CB-CB 4.4Å; E1039-A1086 WeakPolarHBondContact O-CA 3.18Å; E1039-S1087 PolarHBondContact O-N 2.83Å | ||
| 1040 | N | 86 | Confident | 82.9 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 60% | 0.599 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -88.3 | 103.6 | 171.6 | -171.4 | 4.5 | 0 | 0 | 0 | 110.3 | K1042 | N1040-K1042 WeakPolarHBondContact OD1-CB 3.36Å; N1040-K1042 VanDerWaalsContact OD1-CG 3.25Å; N1040-K1042 WeakPolarHBondContact OD1-CG 3.47Å; N1040-K1042 PolarHBondContact OD1-N 3.47Å |
| 1041 | L | 85.6 | Confident | 84.3 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 9% | 0.089 | 40% | 0.404 | C | S | . | . | trans | -100.3 | 10.2 | 176.4 | -59.5 | 178.2 | 0 | 0 | 0 | 111.9 | E1039 G1043 T1044 A1086 S1087 I1091 | E1039-L1041 HydrophobicContact CB-CG 4.43Å; E1039-L1041 PolarHBondContact O-N 3.37Å; L1041-G1043 PolarHBondContact O-N 2.8Å; L1041-T1044 WeakPolarHBondContact O-CB 3.44Å; L1041-T1044 PolarHBondContact O-N 2.9Å; L1041-T1044 PolarHBondContact O-OG1 2.98Å; L1041-A1086 HydrophobicContact CD1-CB 3.89Å; L1041-A1086 HydrophobicContact CG-CB 4.31Å; L1041-S1087 CarbonylContact C-O 3.58Å; L1041-S1087 WeakPolarHBondContact CA-O 3.05Å; L1041-S1087 PolarHBondContact N-O 3.26Å; L1041-I1091 HydrophobicContact CB-CD1 4.41Å; L1041-I1091 HydrophobicContact CD1-CD1 4.34Å | ||
| 1042 | K | 75.7 | Confident | 85.2 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 31% | 0.313 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 118.4 | 174.4 | -66.5 | 172.1 | 172.5 | 162.3 | 0 | 109.5 | N1040 S1087 E1125 | N1040-K1042 WeakPolarHBondContact OD1-CB 3.36Å; N1040-K1042 VanDerWaalsContact OD1-CG 3.25Å; N1040-K1042 WeakPolarHBondContact OD1-CG 3.47Å; N1040-K1042 PolarHBondContact OD1-N 3.47Å; K1042-S1087 PolarHBondContact N-O 3.48Å; K1042-S1087 VanDerWaalsContact N-O 3.14Å; K1042-E1125 VanDerWaalsContact CE-OE1 3.29Å; K1042-E1125 WeakPolarHBondContact CE-OE1 3.37Å; K1042-E1125 IonicContact NZ-OE1 3.11Å; K1042-E1125 PolarHBondContact NZ-OE1 3.25Å |
| 1043 | G | 74 | Confident | 85.9 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 85% | 0.845 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.1 | -12.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1041 | L1041-G1043 PolarHBondContact O-N 2.8Š|
| 1044 | T | 84.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | trans | -85.1 | 116.8 | 171.8 | -51.4 | 0 | 0 | 0 | 0 | 109 | L1041 T1046 L1047 I1091 | L1041-T1044 WeakPolarHBondContact O-CB 3.44Å; L1041-T1044 PolarHBondContact O-N 2.9Å; L1041-T1044 PolarHBondContact O-OG1 2.98Å; T1044-T1046 VanDerWaalsContact CG2-O 3.25Å; T1044-T1046 WeakPolarHBondContact CG2-O 3.38Å; T1044-L1047 HydrophobicContact CG2-CD2 4.35Å; T1044-I1091 HydrophobicContact CG2-CD1 3.79Å | ||
| 1045 | K | 88.1 | Confident | 86.8 | Confident | 172 Ų | 172 | 69.1 Ų | 69.1 | 75% | 0.748 | 38% | 0.38 | S | S | * | . | trans | -89.2 | -35.6 | 179.9 | -67.9 | -173.6 | 178.2 | -177.1 | 0 | 112.9 | D1092 | K1045-D1092 PolarHBondContact O-N 2.82Š| ||
| 1046 | T | 92.4 | Very high | 87.2 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.3 | -176.7 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | T1044 D1048 S1051 D1092 I1094 | T1044-T1046 VanDerWaalsContact CG2-O 3.25Å; T1044-T1046 WeakPolarHBondContact CG2-O 3.38Å; T1046-D1048 PolarHBondContact OG1-OD2 2.82Å; T1046-D1048 VanDerWaalsContact OG1-OD2 3.09Å; T1046-S1051 PolarHBondContact O-OG 3.1Å; T1046-S1051 VanDerWaalsContact O-OG 3.12Å; T1046-D1092 CarbonylContact C-O 3.27Å; T1046-D1092 WeakPolarHBondContact CA-O 3.44Å; T1046-D1092 HydrophobicContact CG2-CB 4.34Å; T1046-I1094 HydrophobicContact CG2-CD1 3.74Å |
| 1047 | L | 93.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 91.1 | 165.5 | -72.1 | 172.5 | 0 | 0 | 0 | 107.9 | L1001 T1044 S1051 F1083 I1091 D1092 L1093 I1094 | L1001-L1047 HydrophobicContact CD1-CD1 4.29Å; L1001-L1047 HydrophobicContact CD2-CD1 3.94Å; T1044-L1047 HydrophobicContact CG2-CD2 4.35Å; L1047-S1051 WeakPolarHBondContact CA-OG 3.16Å; L1047-F1083 HydrophobicContact CD1-CE1 4.18Å; L1047-I1091 HydrophobicContact CD1-CD1 3.68Å; L1047-I1091 HydrophobicContact CD1-CG1 4.16Å; L1047-I1091 HydrophobicContact CD1-CG2 4.35Å; L1047-I1091 HydrophobicContact CD2-CD1 4.15Å; L1047-I1091 HydrophobicContact CG-CD1 3.52Å; L1047-I1091 HydrophobicContact CG-CG1 3.92Å; L1047-D1092 PolarHBondContact N-O 3.15Å; L1047-L1093 HydrophobicContact CB-CD1 3.8Å; L1047-L1093 HydrophobicContact CD1-CD1 4.4Å; L1047-I1094 PolarHBondContact O-N 3.31Å |
| 1048 | D | 92.2 | Very high | 87.6 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 17% | 0.171 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -120.9 | -178 | 179.3 | 57 | 33.6 | 0 | 0 | 0 | 109.9 | T1046 T1050 S1051 A1052 I1094 | T1046-D1048 PolarHBondContact OG1-OD2 2.82Å; T1046-D1048 VanDerWaalsContact OG1-OD2 3.09Å; D1048-T1050 PolarHBondContact O-N 3.33Å; D1048-T1050 WeakPolarHBondContact OD1-CA 3.38Å; D1048-T1050 WeakPolarHBondContact OD1-CB 3.37Å; D1048-T1050 PolarHBondContact OD1-N 2.84Å; D1048-T1050 PolarHBondContact OD1-OG1 2.87Å; D1048-S1051 PolarHBondContact N-OG 3.19Å; D1048-S1051 PolarHBondContact O-N 2.84Å; D1048-S1051 VanDerWaalsContact O-N 3.12Å; D1048-S1051 PolarHBondContact O-OG 2.85Å; D1048-S1051 PolarHBondContact OD1-N 2.79Å; D1048-S1051 PolarHBondContact OD1-OG 2.86Å; D1048-A1052 WeakPolarHBondContact O-CA 3.36Å; D1048-A1052 VanDerWaalsContact O-CB 3.31Å; D1048-A1052 WeakPolarHBondContact O-CB 3.2Å; D1048-A1052 PolarHBondContact O-N 2.94Å; D1048-I1094 HydrophobicContact CB-CB 4.1Å |
| 1049 | C | 89.5 | Confident | 87.9 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -1.2 | -180 | -57.5 | 0 | 0 | 0 | 0 | 115.5 | S990 C1054 | S990-C1049 WeakPolarHBondContact CB-SG 3.2Å; C1049-C1054 WeakPolarHBondContact CA-SG 3.25Å; C1049-C1054 HydrophobicContact CB-CB 3.79Å; C1049-C1054 WeakPolarHBondContact CB-SG 3.46Å; C1049-C1054 WeakPolarHBondContact SG-CB 3.32Å; C1049-C1054 CovalentContact SG-SG 2.03Å; C1049-C1054 PolarHBondContact SG-SG 2.8Å |
| 1050 | T | 89.5 | Confident | 88 | Confident | 120 Ų | 120 | 62.6 Ų | 62.6 | 74% | 0.736 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -30.2 | 171.5 | 76 | 0 | 0 | 0 | 0 | 111.8 | D1048 | D1048-T1050 PolarHBondContact O-N 3.33Å; D1048-T1050 WeakPolarHBondContact OD1-CA 3.38Å; D1048-T1050 WeakPolarHBondContact OD1-CB 3.37Å; D1048-T1050 PolarHBondContact OD1-N 2.84Å; D1048-T1050 PolarHBondContact OD1-OG1 2.87Å |
| 1051 | S | 89.4 | Confident | 88 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -20.3 | -176.7 | 49 | 0 | 0 | 0 | 0 | 113.2 | T1046 L1047 D1048 | T1046-S1051 PolarHBondContact O-OG 3.1Å; T1046-S1051 VanDerWaalsContact O-OG 3.12Å; L1047-S1051 WeakPolarHBondContact CA-OG 3.16Å; D1048-S1051 PolarHBondContact N-OG 3.19Å; D1048-S1051 PolarHBondContact O-N 2.84Å; D1048-S1051 VanDerWaalsContact O-N 3.12Å; D1048-S1051 PolarHBondContact O-OG 2.85Å; D1048-S1051 PolarHBondContact OD1-N 2.79Å; D1048-S1051 PolarHBondContact OD1-OG 2.86Å |
| 1052 | A | 91.4 | Very high | 87.8 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -125.6 | 163.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | P992 K994 L1001 D1048 | P992-A1052 HydrophobicContact CB-CB 4.07Å; K994-A1052 CarbonylContact O-C 3.46Å; K994-A1052 WeakPolarHBondContact O-CA 3.4Å; K994-A1052 WeakPolarHBondContact O-CB 3.43Å; L1001-A1052 HydrophobicContact CD1-CB 3.95Å; D1048-A1052 WeakPolarHBondContact O-CA 3.36Å; D1048-A1052 VanDerWaalsContact O-CB 3.31Å; D1048-A1052 WeakPolarHBondContact O-CB 3.2Å; D1048-A1052 PolarHBondContact O-N 2.94Å |
| 1053 | K | 91.6 | Very high | 87.9 | Confident | 110 Ų | 110 | 56.2 Ų | 56.2 | 48% | 0.478 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.3 | 169.4 | -69 | -176.5 | 176.3 | -177.6 | 0 | 109.3 | V993 K994 E998 | V993-K1053 WeakPolarHBondContact CG2-O 3.28Å; V993-K1053 PolarHBondContact N-O 3.12Å; K994-K1053 HydrophobicContact CB-CB 4.31Å; K994-K1053 PolarHBondContact N-O 3.39Å; K994-K1053 PolarHBondContact O-N 2.92Å; E998-K1053 WeakPolarHBondContact OE1-CE 2.92Å; E998-K1053 IonicContact OE1-NZ 3.16Å; E998-K1053 PolarHBondContact OE1-NZ 2.84Å |
| 1054 | C | 90.8 | Very high | 88.2 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.5 | -178.2 | -75.4 | 0 | 0 | 0 | 0 | 113.5 | L991 P992 C1049 | L991-C1054 VanDerWaalsContact C-SG 3.55Å; L991-C1054 CarbonylContact O-C 3.5Å; L991-C1054 WeakPolarHBondContact O-CA 3.26Å; L991-C1054 WeakPolarHBondContact O-CB 3.46Å; L991-C1054 PolarHBondContact O-SG 3.28Å; P992-C1054 WeakPolarHBondContact CA-SG 3.17Å; C1049-C1054 WeakPolarHBondContact CA-SG 3.25Å; C1049-C1054 HydrophobicContact CB-CB 3.79Å; C1049-C1054 WeakPolarHBondContact CB-SG 3.46Å; C1049-C1054 WeakPolarHBondContact SG-CB 3.32Å; C1049-C1054 CovalentContact SG-SG 2.03Å; C1049-C1054 PolarHBondContact SG-SG 2.8Å |
| 1055 | E | 88.6 | Confident | 88 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 43% | 0.425 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 147 | 163.3 | -70.2 | -63.8 | 162 | 0 | 0 | 109.6 | L991 V993 L1021 | L991-E1055 PolarHBondContact N-O 2.83Å; L991-E1055 PolarHBondContact O-N 2.94Å; V993-E1055 HydrophobicContact CB-CG 4.35Å; V993-E1055 HydrophobicContact CG1-CB 3.92Å; V993-E1055 HydrophobicContact CG1-CG 3.72Å; V993-E1055 HydrophobicContact CG2-CG 3.77Å; L1021-E1055 HydrophobicContact CD1-CB 4.07Å; L1021-E1055 HydrophobicContact CD2-CB 4.31Å; L1021-E1055 HydrophobicContact CD2-CG 4.11Å; L1021-E1055 WeakPolarHBondContact CD2-OE2 3.27Å |
| 1056 | K | 89.9 | Confident | 87.7 | Confident | 130 Ų | 130 | 52.6 Ų | 52.6 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.2 | -178.1 | -66 | -177.6 | -179.7 | 179.7 | 0 | 110.5 | T988 I989 L1021 | T988-K1056 HydrophobicContact CG2-CB 4.44Å; T988-K1056 HydrophobicContact CG2-CD 4.38Å; I989-K1056 WeakPolarHBondContact O-CA 3.42Å; L1021-K1056 WeakPolarHBondContact CD1-O 3.46Å |
| 1057 | I | 89.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.7 | 169.5 | -54.8 | 157.9 | 0 | 0 | 0 | 107 | T988 I989 L991 L1004 V1007 C1017 L1021 V1074 | T988-I1057 WeakPolarHBondContact CA-O 3.31Å; I989-I1057 HydrophobicContact CB-CB 4.19Å; I989-I1057 HydrophobicContact CB-CD1 4.49Å; I989-I1057 HydrophobicContact CG2-CD1 4.46Å; I989-I1057 PolarHBondContact N-O 2Å; I989-I1057 PolarHBondContact O-N 3.46Å; L991-I1057 HydrophobicContact CD1-CD1 3.5Å; L991-I1057 HydrophobicContact CD1-CG1 4.46Å; L991-I1057 HydrophobicContact CG-CD1 4.22Å; L1004-I1057 HydrophobicContact CD1-CD1 4.05Å; L1004-I1057 HydrophobicContact CD2-CD1 3.84Å; L1004-I1057 HydrophobicContact CD2-CG1 4.14Å; V1007-I1057 HydrophobicContact CG1-CG2 4.4Å; V1007-I1057 HydrophobicContact CG2-CD1 3.82Å; V1007-I1057 HydrophobicContact CG2-CG1 4.49Å; V1007-I1057 HydrophobicContact CG2-CG2 4.23Å; C1017-I1057 HydrophobicContact CB-CG2 4.42Å; L1021-I1057 HydrophobicContact CD1-CG1 4.37Å; I1057-V1074 HydrophobicContact CD1-CG1 4.38Å |
| 1058 | E | 88.9 | Confident | 87 | Confident | 120 Ų | 120 | 58.6 Ų | 58.6 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.9 | 176 | -65.5 | -172.1 | 166.6 | 0 | 0 | 109.3 | C1017 S1018 | C1017-E1058 CarbonylContact C-O 3.56Å; C1017-E1058 VanDerWaalsContact CA-O 3.31Å; C1017-E1058 WeakPolarHBondContact CA-O 3.13Å; S1018-E1058 PolarHBondContact N-O 2.75Å; S1018-E1058 PolarHBondContact OG-N 3.03Å; S1018-E1058 VanDerWaalsContact OG-N 3.09Å; S1018-E1058 PolarHBondContact OG-O 3.45Å |
| 1059 | C | 89.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.5 | 176.4 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | F986 L987 S1016 C1017 L1061 | F986-C1059 CarbonylContact C-O 3.53Å; L987-C1059 HydrophobicContact CB-CB 4.03Å; L987-C1059 HydrophobicContact CD2-CB 4.26Å; L987-C1059 HydrophobicContact CG-CB 4.4Å; L987-C1059 PolarHBondContact N-O 2.87Å; L987-C1059 PolarHBondContact O-N 2.99Å; S1016-C1059 CarbonylContact O-C 3.58Å; S1016-C1059 VanDerWaalsContact O-CA 3.3Å; S1016-C1059 WeakPolarHBondContact O-CA 3.12Å; C1017-C1059 HydrophobicContact CB-CB 4.11Å; C1017-C1059 WeakPolarHBondContact CB-SG 3.37Å; C1017-C1059 WeakPolarHBondContact SG-CB 3.45Å; C1017-C1059 CovalentContact SG-SG 2.04Å; C1017-C1059 PolarHBondContact SG-SG 2.79Å; C1059-L1061 HydrophobicContact CB-CD1 4.45Å |
| 1060 | I | 87.5 | Confident | 86.7 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 18% | 0.179 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.4 | 178.3 | -53.9 | 178.1 | 0 | 0 | 0 | 107.4 | I531 L984 L985 F986 I1015 S1016 K1062 | I531-I1060 HydrophobicContact CD1-CD1 3.72Å; I531-I1060 HydrophobicContact CG1-CD1 4.11Å; I531-I1060 HydrophobicContact CG2-CG2 4.48Å; L984-I1060 HydrophobicContact CD1-CG2 3.49Å; L984-I1060 VanDerWaalsContact CD1-CG2 3.49Å; L985-I1060 WeakPolarHBondContact O-CA 3.39Å; F986-I1060 HydrophobicContact CD1-CG1 4.06Å; F986-I1060 HydrophobicContact CE1-CD1 4.32Å; F986-I1060 HydrophobicContact CE1-CG1 4.2Å; F986-I1060 HydrophobicContact CE1-CG2 4.42Å; I1015-I1060 WeakPolarHBondContact CA-O 3.2Å; S1016-I1060 PolarHBondContact N-O 3.45Å; S1016-I1060 PolarHBondContact O-N 2.8Å; I1060-K1062 HydrophobicContact CG2-CG 3.9Å |
| 1061 | L | 87.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.1 | 172.9 | -66.2 | 69.8 | 0 | 0 | 0 | 107.8 | V975 L985 L987 S1014 I1015 C1059 T1064 Y1070 | V975-L1061 HydrophobicContact CB-CD2 3.89Å; V975-L1061 HydrophobicContact CG1-CD2 4Å; V975-L1061 HydrophobicContact CG2-CD2 4.04Å; L985-L1061 HydrophobicContact CB-CB 4.08Å; L985-L1061 PolarHBondContact N-O 2.82Å; L985-L1061 PolarHBondContact O-N 2.83Å; L987-L1061 HydrophobicContact CB-CD1 4Å; S1014-L1061 CarbonylContact O-C 3.48Å; S1014-L1061 WeakPolarHBondContact O-CA 3.46Å; I1015-L1061 HydrophobicContact CG1-CG 4.14Å; I1015-L1061 HydrophobicContact CG2-CD1 4.15Å; I1015-L1061 HydrophobicContact CG2-CG 4.15Å; C1059-L1061 HydrophobicContact CB-CD1 4.45Å; L1061-T1064 HydrophobicContact CB-CG2 4Å; L1061-Y1070 HydrophobicContact CD2-CD2 4.14Å; L1061-Y1070 HydrophobicContact CD2-CG 3.81Å |
| 1062 | K | 81.6 | Confident | 86.8 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 150.9 | -172.4 | -58.2 | -172.8 | -176 | -172.5 | 0 | 112.6 | D475 E477 I531 S983 L984 S1014 I1060 T1064 | D475-K1062 IonicContact OD1-NZ 3.14Å; D475-K1062 PolarHBondContact OD1-NZ 2.91Å; D475-K1062 IonicContact OD2-NZ 3.72Å; D475-K1062 PolarHBondContact OD2-NZ 2.88Å; E477-K1062 IonicContact OE1-NZ 3.01Å; I531-K1062 HydrophobicContact CG2-CD 4.18Å; S983-K1062 CarbonylContact O-C 3.53Å; S983-K1062 WeakPolarHBondContact O-CA 3.37Å; L984-K1062 HydrophobicContact CD1-CG 3.82Å; S1014-K1062 WeakPolarHBondContact CB-O 3.34Å; S1014-K1062 PolarHBondContact O-N 2.04Å; I1060-K1062 HydrophobicContact CG2-CG 3.9Å; K1062-T1064 PolarHBondContact O-N 3.47Å; K1062-T1064 VanDerWaalsContact O-N 3.12Å |
| 1063 | D | 76.1 | Confident | 86.8 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 42.3 | 52.1 | 172.9 | -60.9 | -27.3 | 0 | 0 | 0 | 110.7 | S533 E534 S983 | S533-D1063 PolarHBondContact OG-OD1 3.14Å; E534-D1063 PolarHBondContact N-OD1 3.08Å; E534-D1063 PolarHBondContact N-OD2 3.22Å; S983-D1063 PolarHBondContact O-N 2.75Å |
| 1064 | T | 80.1 | Confident | 86.8 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 136 | -168.3 | 62.8 | 0 | 0 | 0 | 0 | 111.2 | I977 L982 L985 L1061 K1062 Y1070 | I977-T1064 HydrophobicContact CD1-CG2 4.46Å; L982-T1064 WeakPolarHBondContact CB-OG1 3.32Å; L982-T1064 PolarHBondContact O-N 2.81Å; L982-T1064 PolarHBondContact O-OG1 2.76Å; L985-T1064 HydrophobicContact CD1-CG2 4.47Å; L1061-T1064 HydrophobicContact CB-CG2 4Å; K1062-T1064 PolarHBondContact O-N 3.47Å; K1062-T1064 VanDerWaalsContact O-N 3.12Å; T1064-Y1070 VanDerWaalsContact CA-OH 3.23Å; T1064-Y1070 WeakPolarHBondContact CA-OH 3.39Å; T1064-Y1070 HydrophobicContact CG2-CD2 4.37Å; T1064-Y1070 HydrophobicContact CG2-CE2 3.76Å |
| 1065 | E | 80.1 | Confident | 86.8 | Confident | 141 Ų | 141 | 52.3 Ų | 52.3 | 66% | 0.659 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 142.2 | -179.1 | -65.1 | -174.9 | 177.9 | 0 | 0 | 110.3 | S1068 Y1070 | E1065-S1068 WeakPolarHBondContact O-CB 3.43Å; E1065-S1068 PolarHBondContact O-N 3.09Å; E1065-S1068 PolarHBondContact O-OG 3.22Å; E1065-Y1070 PolarHBondContact N-OH 3.44Å |
| 1066 | V | 83.3 | Confident | 87 | Confident | 75 Ų | 75 | 48 Ų | 48 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 142.8 | 174.6 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | G978 P981 S1068 | G978-V1066 WeakPolarHBondContact O-CA 2.86Å; P981-V1066 HydrophobicContact CB-CG1 4.27Å; V1066-S1068 VanDerWaalsContact C-N 3.26Å; V1066-S1068 PolarHBondContact O-N 3.41Å |
| 1067 | K | 83.9 | Confident | 87.1 | Confident | 155 Ų | 155 | 43.5 Ų | 43.5 | 67% | 0.674 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.4 | -178.9 | -54 | -178.3 | 177.6 | -178.6 | 0 | 113.9 | I977 G978 M979 | I977-K1067 VanDerWaalsContact O-CA 3.3Å; I977-K1067 WeakPolarHBondContact O-CA 3.5Å; I977-K1067 PolarHBondContact O-N 2.94Å; G978-K1067 PolarHBondContact O-N 2.8Å; M979-K1067 HydrophobicContact CG-CG 4.27Å |
| 1068 | S | 85.6 | Confident | 87.2 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | trans | -116.4 | 159.3 | 178.2 | 71.4 | 0 | 0 | 0 | 0 | 112 | I977 E1065 V1066 Y1070 | I977-S1068 PolarHBondContact N-O 3.16Å; E1065-S1068 WeakPolarHBondContact O-CB 3.43Å; E1065-S1068 PolarHBondContact O-N 3.09Å; E1065-S1068 PolarHBondContact O-OG 3.22Å; V1066-S1068 VanDerWaalsContact C-N 3.26Å; V1066-S1068 PolarHBondContact O-N 3.41Å; S1068-Y1070 WeakPolarHBondContact OG-CE2 3.32Å; S1068-Y1070 PolarHBondContact OG-OH 3.05Å | ||
| 1069 | D | 87.9 | Confident | 87.3 | Confident | 83 Ų | 83 | 38.4 Ų | 38.4 | 44% | 0.444 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130 | -178.7 | -71.4 | -33.8 | 0 | 0 | 0 | 110.2 | K974 S976 | K974-D1069 WeakPolarHBondContact CE-OD1 3.4Å; K974-D1069 WeakPolarHBondContact CE-OD2 3.4Å; K974-D1069 IonicContact NZ-OD1 2.82Å; K974-D1069 IonicContact NZ-OD2 3.02Å; K974-D1069 PolarHBondContact NZ-OD2 2.76Å; S976-D1069 VanDerWaalsContact CB-OD1 3.31Å; S976-D1069 WeakPolarHBondContact CB-OD1 3.36Å; S976-D1069 PolarHBondContact OG-OD1 2.85Å |
| 1070 | Y | 88.6 | Confident | 87.3 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.3 | 178.5 | -66.9 | -83.1 | 0 | 0 | 0 | 110 | K974 V975 I977 A1011 I1015 L1061 T1064 E1065 S1068 | K974-Y1070 WeakPolarHBondContact CA-O 3.47Å; V975-Y1070 PolarHBondContact N-O 2.98Å; V975-Y1070 PolarHBondContact O-N 3.2Å; I977-Y1070 HydrophobicContact CD1-CD2 4.36Å; I977-Y1070 HydrophobicContact CD1-CE2 4.48Å; I977-Y1070 HydrophobicContact CG1-CD2 3.78Å; I977-Y1070 HydrophobicContact CG1-CE2 3.61Å; A1011-Y1070 HydrophobicContact CB-CD1 4.22Å; I1015-Y1070 HydrophobicContact CD1-CD1 3.81Å; I1015-Y1070 HydrophobicContact CD1-CG 4.21Å; I1015-Y1070 HydrophobicContact CG1-CD1 3.74Å; I1015-Y1070 HydrophobicContact CG1-CG 4.44Å; L1061-Y1070 HydrophobicContact CD2-CD2 4.14Å; L1061-Y1070 HydrophobicContact CD2-CG 3.81Å; T1064-Y1070 VanDerWaalsContact CA-OH 3.23Å; T1064-Y1070 WeakPolarHBondContact CA-OH 3.39Å; T1064-Y1070 HydrophobicContact CG2-CD2 4.37Å; T1064-Y1070 HydrophobicContact CG2-CE2 3.76Å; E1065-Y1070 PolarHBondContact N-OH 3.44Å; S1068-Y1070 WeakPolarHBondContact OG-CE2 3.32Å; S1068-Y1070 PolarHBondContact OG-OH 3.05Å |
| 1071 | L | 90.1 | Very high | 87.3 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.8 | -173.2 | -58.5 | 175.6 | 0 | 0 | 0 | 110.6 | T972 V973 K974 P1009 Q1010 | T972-L1071 HydrophobicContact CG2-CB 4.26Å; T972-L1071 HydrophobicContact CG2-CD2 4.32Å; V973-L1071 CarbonylContact O-C 3.38Å; V973-L1071 WeakPolarHBondContact O-CA 3.28Å; K974-L1071 HydrophobicContact CB-CD2 3.56Å; K974-L1071 HydrophobicContact CD-CD2 4.13Å; K974-L1071 HydrophobicContact CG-CD2 3.67Å; P1009-L1071 CarbonylContact C-O 3.48Å; Q1010-L1071 HydrophobicContact CB-CB 3.73Å; Q1010-L1071 HydrophobicContact CB-CD1 4.39Å; Q1010-L1071 PolarHBondContact N-O 2.78Å |
| 1072 | V | 91.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 110.1 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | T972 V973 L987 I989 V1007 I1015 V1074 | T972-V1072 WeakPolarHBondContact CA-O 3.28Å; V973-V1072 HydrophobicContact CB-CB 4.44Å; V973-V1072 PolarHBondContact N-O 3.27Å; V973-V1072 PolarHBondContact O-N 2.86Å; L987-V1072 HydrophobicContact CD2-CG2 4.16Å; I989-V1072 HydrophobicContact CD1-CG1 4.19Å; V1007-V1072 HydrophobicContact CG1-CG1 3.76Å; I1015-V1072 HydrophobicContact CD1-CG2 4.31Å; I1015-V1072 HydrophobicContact CG2-CG2 4.05Å; V1072-V1074 HydrophobicContact CG1-CG2 4.32Å |
| 1073 | K | 91.3 | Very high | 87.9 | Confident | 68 Ų | 68 | 37.9 Ų | 37.9 | 30% | 0.296 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.7 | 178.8 | -174.8 | 174.2 | -173 | 171.7 | 0 | 110 | T970 V1007 E1008 | T970-K1073 HydrophobicContact CG2-CD 4.35Å; T970-K1073 VanDerWaalsContact CG2-CE 3.41Å; T970-K1073 HydrophobicContact CG2-CG 3.95Å; V1007-K1073 WeakPolarHBondContact CA-O 3.45Å; E1008-K1073 HydrophobicContact CB-CB 4.2Å; E1008-K1073 PolarHBondContact N-O 3.07Å; E1008-K1073 WeakPolarHBondContact O-CB 3.5Å; E1008-K1073 PolarHBondContact O-N 2.82Å |
| 1074 | V | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.4 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | T970 F971 I989 L991 L1004 I1057 V1072 T1076 | T970-V1074 WeakPolarHBondContact CA-O 2.81Å; F971-V1074 HydrophobicContact CD1-CB 4.41Å; F971-V1074 HydrophobicContact CD2-CB 4.3Å; F971-V1074 HydrophobicContact CE1-CB 3.99Å; F971-V1074 HydrophobicContact CE1-CG1 3.93Å; F971-V1074 HydrophobicContact CE2-CB 3.86Å; F971-V1074 HydrophobicContact CE2-CG1 4.43Å; F971-V1074 HydrophobicContact CE2-CG2 3.87Å; F971-V1074 HydrophobicContact CZ-CB 3.71Å; F971-V1074 HydrophobicContact CZ-CG1 3.78Å; F971-V1074 HydrophobicContact CZ-CG2 4.03Å; F971-V1074 PolarHBondContact N-O 3.47Å; F971-V1074 PolarHBondContact O-N 3.37Å; I989-V1074 HydrophobicContact CD1-CG2 3.68Å; L991-V1074 HydrophobicContact CD1-CG1 4.32Å; L1004-V1074 HydrophobicContact CD1-CG1 3.79Å; I1057-V1074 HydrophobicContact CD1-CG1 4.38Å; V1072-V1074 HydrophobicContact CG1-CG2 4.32Å; V1074-T1076 HydrophobicContact CG1-CG2 4.04Å |
| 1075 | K | 91.3 | Very high | 88.8 | Confident | 43 Ų | 43 | 37.9 Ų | 37.9 | 19% | 0.187 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.5 | 176.4 | -60.2 | -170.1 | -173.3 | 151.3 | 0 | 109.8 | T970 T1005 S1006 E1008 | T970-K1075 HydrophobicContact CG2-CG 3.97Å; T1005-K1075 PolarHBondContact N-O 2.81Å; T1005-K1075 VanDerWaalsContact OG1-C 3.31Å; T1005-K1075 VanDerWaalsContact OG1-CB 3.25Å; T1005-K1075 WeakPolarHBondContact OG1-CB 3.45Å; T1005-K1075 PolarHBondContact OG1-O 3.35Å; S1006-K1075 PolarHBondContact N-O 3.36Å; S1006-K1075 PolarHBondContact O-N 2.74Å; S1006-K1075 WeakPolarHBondContact OG-CD 3.43Å; E1008-K1075 WeakPolarHBondContact OE1-CE 3.37Å; E1008-K1075 IonicContact OE1-NZ 2.88Å; E1008-K1075 PolarHBondContact OE1-NZ 3.24Å; E1008-K1075 WeakPolarHBondContact OE2-CE 3.4Å; E1008-K1075 IonicContact OE2-NZ 3.71Å; E1008-K1075 PolarHBondContact OE2-NZ 2.83Å |
| 1076 | T | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 164.6 | 177.3 | 72.2 | 0 | 0 | 0 | 0 | 111.5 | E968 F969 L991 Y1003 L1004 V1074 | E968-T1076 CarbonylContact C-O 3.13Å; E968-T1076 WeakPolarHBondContact CA-O 3.42Å; E968-T1076 WeakPolarHBondContact CG-O 3.2Å; F969-T1076 WeakPolarHBondContact CD1-OG1 3.42Å; F969-T1076 PolarHBondContact N-O 2.85Å; F969-T1076 CarbonylContact O-C 3.42Å; F969-T1076 WeakPolarHBondContact O-CA 3.09Å; F969-T1076 WeakPolarHBondContact O-CB 3.05Å; F969-T1076 PolarHBondContact O-N 2.9Å; F969-T1076 PolarHBondContact O-OG1 3.22Å; L991-T1076 HydrophobicContact CD1-CG2 4.36Å; Y1003-T1076 CarbonylContact O-C 3.49Å; Y1003-T1076 WeakPolarHBondContact O-CA 3.48Å; Y1003-T1076 WeakPolarHBondContact O-CB 3.47Å; L1004-T1076 HydrophobicContact CD1-CG2 4.23Å; V1074-T1076 HydrophobicContact CG1-CG2 4.04Å |
| 1077 | R | 91.1 | Very high | 89.4 | Confident | 35 Ų | 35 | 28.9 Ų | 28.9 | 13% | 0.132 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.3 | 170.1 | -68.9 | -82.4 | 178.5 | 145.5 | 9.2 | 109.4 | D963 I965 G966 P967 Y1003 T1005 | D963-R1077 IonicContact OD1-CZ 2.68Å; D963-R1077 IonicContact OD1-NH1 2.76Å; D963-R1077 PolarHBondContact OD1-NH1 2.76Å; D963-R1077 IonicContact OD1-NH2 3.16Å; D963-R1077 PolarHBondContact OD1-NH2 2.96Å; I965-R1077 HydrophobicContact CB-CB 4.26Å; I965-R1077 HydrophobicContact CG2-CB 3.84Å; G966-R1077 VanDerWaalsContact O-CD 3.22Å; G966-R1077 WeakPolarHBondContact O-CD 3.28Å; G966-R1077 PolarHBondContact O-NH1 2.81Å; P967-R1077 WeakPolarHBondContact O-CA 3.42Å; Y1003-R1077 PolarHBondContact N-O 2.99Å; Y1003-R1077 PolarHBondContact O-N 3.02Å; T1005-R1077 HydrophobicContact CG2-CG 3.8Å |
| 1078 | I | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.5 | 178.6 | -53.5 | 175.6 | 0 | 0 | 0 | 108.7 | I944 Y947 I965 G966 P967 F969 L1002 N1080 F1083 L1118 | I944-I1078 HydrophobicContact CD1-CD1 4Å; Y947-I1078 HydrophobicContact CD1-CD1 4.24Å; Y947-I1078 HydrophobicContact CD1-CG2 4.11Å; Y947-I1078 HydrophobicContact CD2-CD1 4.26Å; Y947-I1078 HydrophobicContact CE1-CG2 4.08Å; Y947-I1078 HydrophobicContact CG-CD1 3.9Å; I965-I1078 CarbonylContact C-O 3.18Å; I965-I1078 VanDerWaalsContact O-O 3.09Å; G966-I1078 VanDerWaalsContact CA-O 3.32Å; G966-I1078 WeakPolarHBondContact CA-O 3.28Å; P967-I1078 HydrophobicContact CG-CB 4.3Å; P967-I1078 HydrophobicContact CG-CD1 4.21Å; P967-I1078 PolarHBondContact O-N 3.08Å; F969-I1078 HydrophobicContact CB-CD1 4.03Å; F969-I1078 HydrophobicContact CB-CG1 3.85Å; L1002-I1078 HydrophobicContact CD2-CG1 4.12Å; I1078-N1080 PolarHBondContact O-N 2.82Å; I1078-F1083 HydrophobicContact CG2-CD2 3.72Å; I1078-F1083 HydrophobicContact CG2-CE2 3.57Å; I1078-L1118 HydrophobicContact CD1-CD2 3.49Å; I1078-L1118 VanDerWaalsContact CD1-CD2 3.49Å; I1078-L1118 HydrophobicContact CG1-CD2 4.33Å |
| 1079 | W | 91.1 | Very high | 89.6 | Confident | 15 Ų | 15 | 26 Ų | 26 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | trans | -73.4 | 96 | 176.2 | -81.1 | 95.8 | 0 | 0 | 0 | 111.9 | V959 I965 P1000 L1001 Y1003 V1034 F1036 G1081 T1082 F1083 | V959-W1079 HydrophobicContact CG2-CH2 3.96Å; V959-W1079 HydrophobicContact CG2-CZ3 3.87Å; I965-W1079 HydrophobicContact CB-CE3 4.5Å; I965-W1079 HydrophobicContact CB-CZ3 4.47Å; I965-W1079 HydrophobicContact CD1-CH2 4.31Å; I965-W1079 HydrophobicContact CD1-CZ2 4.1Å; I965-W1079 HydrophobicContact CG1-CH2 3.87Å; I965-W1079 HydrophobicContact CG1-CZ2 4.09Å; I965-W1079 HydrophobicContact CG1-CZ3 4.17Å; I965-W1079 HydrophobicContact CG2-CD2 3.59Å; I965-W1079 HydrophobicContact CG2-CE3 3.85Å; I965-W1079 HydrophobicContact CG2-CG 3.92Å; I965-W1079 HydrophobicContact CG2-CH2 4.35Å; I965-W1079 HydrophobicContact CG2-CZ2 4.12Å; I965-W1079 HydrophobicContact CG2-CZ3 4.22Å; P1000-W1079 HydrophobicContact CB-CB 4.46Å; P1000-W1079 HydrophobicContact CB-CD2 3.95Å; P1000-W1079 HydrophobicContact CB-CG 3.74Å; P1000-W1079 HydrophobicContact CG-CB 4.23Å; P1000-W1079 HydrophobicContact CG-CD2 3.69Å; P1000-W1079 HydrophobicContact CG-CE3 4.14Å; P1000-W1079 HydrophobicContact CG-CG 3.74Å; P1000-W1079 WeakPolarHBondContact O-CB 3.39Å; L1001-W1079 VanDerWaalsContact O-CD1 3.29Å; L1001-W1079 PolarHBondContact O-N 2.9Å; Y1003-W1079 HydrophobicContact CD2-CZ2 4.33Å; V1034-W1079 HydrophobicContact CB-CH2 4.44Å; V1034-W1079 HydrophobicContact CB-CZ3 4.32Å; V1034-W1079 HydrophobicContact CG1-CH2 4.31Å; V1034-W1079 HydrophobicContact CG1-CZ3 4.12Å; V1034-W1079 HydrophobicContact CG2-CH2 3.81Å; V1034-W1079 HydrophobicContact CG2-CZ3 4.16Å; F1036-W1079 HydrophobicContact CE1-CD2 4.46Å; F1036-W1079 AromaticContact CE1-CE3 3.77Å; F1036-W1079 HydrophobicContact CE1-CE3 3.77Å; F1036-W1079 HydrophobicContact CE1-CZ3 4.42Å; F1036-W1079 AromaticContact CZ-CE3 3.6Å; F1036-W1079 HydrophobicContact CZ-CE3 3.6Å; F1036-W1079 AromaticContact CZ-CZ3 3.9Å; F1036-W1079 HydrophobicContact CZ-CZ3 3.9Å; W1079-G1081 VanDerWaalsContact C-N 3.25Å; W1079-G1081 PolarHBondContact O-N 3.44Å; W1079-T1082 PolarHBondContact O-N 2.78Å; W1079-F1083 WeakPolarHBondContact O-CD2 3.26Å | ||
| 1080 | N | 89.7 | Confident | 89.6 | Confident | 39 Ų | 39 | 25.4 Ų | 25.4 | 21% | 0.209 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53 | -44 | 178 | -94.6 | 18.1 | 0 | 0 | 0 | 112 | Y947 I965 P967 I1078 T1082 F1083 I1084 | Y947-N1080 VanDerWaalsContact OH-CG 3.26Å; Y947-N1080 PolarHBondContact OH-OD1 3.27Å; I965-N1080 PolarHBondContact O-N 2.8Å; P967-N1080 VanDerWaalsContact CD-OD1 3.22Å; P967-N1080 WeakPolarHBondContact CD-OD1 3.42Å; I1078-N1080 PolarHBondContact O-N 2.82Å; N1080-T1082 VanDerWaalsContact C-N 3.27Å; N1080-T1082 PolarHBondContact O-N 3.13Å; N1080-F1083 PolarHBondContact O-N 2.87Å; N1080-F1083 VanDerWaalsContact O-N 3.16Å; N1080-I1084 HydrophobicContact CB-CD1 4.01Å; N1080-I1084 WeakPolarHBondContact O-CB 3.42Å; N1080-I1084 VanDerWaalsContact O-CG1 3.27Å; N1080-I1084 WeakPolarHBondContact O-CG1 3.44Å; N1080-I1084 PolarHBondContact O-N 3.44Å |
| 1081 | G | 87.6 | Confident | 89.8 | Confident | 4 Ų | 4 | 25 Ų | 25 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.9 | -37.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1036 W1079 T1085 | F1036-G1081 VanDerWaalsContact CD1-C 3.42Å; W1079-G1081 VanDerWaalsContact C-N 3.25Å; W1079-G1081 PolarHBondContact O-N 3.44Å; G1081-T1085 VanDerWaalsContact O-CB 3.25Å; G1081-T1085 WeakPolarHBondContact O-CB 3.48Å; G1081-T1085 PolarHBondContact O-N 2.72Å; G1081-T1085 PolarHBondContact O-OG1 3.02Å |
| 1082 | T | 89.9 | Confident | 90 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -49.5 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | T995 N999 P1000 L1001 F1036 W1079 N1080 I1084 T1085 A1086 | T995-T1082 HydrophobicContact CG2-CG2 4.47Å; N999-T1082 HydrophobicContact CB-CG2 3.59Å; P1000-T1082 WeakPolarHBondContact CD-OG1 3.29Å; P1000-T1082 WeakPolarHBondContact O-CB 3.42Å; P1000-T1082 PolarHBondContact O-OG1 2.99Å; L1001-T1082 HydrophobicContact CD2-CG2 4Å; F1036-T1082 VanDerWaalsContact CD1-N 3.31Å; F1036-T1082 WeakPolarHBondContact CD1-OG1 3.35Å; W1079-T1082 PolarHBondContact O-N 2.78Å; N1080-T1082 VanDerWaalsContact C-N 3.27Å; N1080-T1082 PolarHBondContact O-N 3.13Å; T1082-I1084 VanDerWaalsContact C-N 3.33Å; T1082-I1084 PolarHBondContact O-N 2.75Å; T1082-T1085 PolarHBondContact O-N 2.85Å; T1082-A1086 VanDerWaalsContact O-CB 3.25Å; T1082-A1086 WeakPolarHBondContact O-CB 3.31Å; T1082-A1086 PolarHBondContact O-N 2.8Å |
| 1083 | F | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.7 | -25.7 | -176.8 | -70.8 | -63.2 | 0 | 0 | 0 | 112.9 | Y947 A949 L1001 L1047 I1078 W1079 N1080 Y1088 I1091 L1093 V1120 | Y947-F1083 HydrophobicContact CE1-CB 4.31Å; Y947-F1083 HydrophobicContact CE1-CD2 4.35Å; Y947-F1083 HydrophobicContact CE1-CG 4.47Å; A949-F1083 HydrophobicContact CB-CB 3.91Å; L1001-F1083 HydrophobicContact CD2-CE1 4.22Å; L1001-F1083 HydrophobicContact CD2-CE2 4.16Å; L1001-F1083 HydrophobicContact CD2-CZ 3.64Å; L1047-F1083 HydrophobicContact CD1-CE1 4.18Å; I1078-F1083 HydrophobicContact CG2-CD2 3.72Å; I1078-F1083 HydrophobicContact CG2-CE2 3.57Å; W1079-F1083 WeakPolarHBondContact O-CD2 3.26Å; N1080-F1083 PolarHBondContact O-N 2.87Å; N1080-F1083 VanDerWaalsContact O-N 3.16Å; F1083-Y1088 HydrophobicContact CB-CE1 4.39Å; F1083-Y1088 VanDerWaalsContact CB-OH 3.23Å; F1083-Y1088 WeakPolarHBondContact CB-OH 3.39Å; F1083-Y1088 HydrophobicContact CD1-CE1 4.1Å; F1083-Y1088 AromaticContact CD1-CZ 3.83Å; F1083-Y1088 WeakPolarHBondContact O-CE1 3.45Å; F1083-Y1088 PolarHBondContact O-OH 3.49Å; F1083-Y1088 VanDerWaalsContact O-OH 3.06Å; F1083-I1091 HydrophobicContact CE1-CG2 4.21Å; F1083-L1093 HydrophobicContact CZ-CD2 4.12Å; F1083-V1120 HydrophobicContact CD1-CG1 3.67Å; F1083-V1120 HydrophobicContact CE1-CB 4.35Å; F1083-V1120 HydrophobicContact CE1-CG1 3.98Å; F1083-V1120 HydrophobicContact CE1-CG2 4.35Å; F1083-V1120 HydrophobicContact CG-CG1 4.04Å; F1083-V1120 HydrophobicContact CZ-CG2 4.38Å |
| 1084 | I | 88 | Confident | 90.4 | Very high | 17 Ų | 17 | 22.9 Ų | 22.9 | 9% | 0.087 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -76.7 | -39.5 | 171.5 | -65.2 | 165.1 | 0 | 0 | 0 | 111.1 | N953 V955 N1080 T1082 K1122 | N953-I1084 HydrophobicContact CB-CD1 3.75Å; V955-I1084 HydrophobicContact CG2-CB 4.01Å; V955-I1084 HydrophobicContact CG2-CG2 3.62Å; N1080-I1084 HydrophobicContact CB-CD1 4.01Å; N1080-I1084 WeakPolarHBondContact O-CB 3.42Å; N1080-I1084 VanDerWaalsContact O-CG1 3.27Å; N1080-I1084 WeakPolarHBondContact O-CG1 3.44Å; N1080-I1084 PolarHBondContact O-N 3.44Å; T1082-I1084 VanDerWaalsContact C-N 3.33Å; T1082-I1084 PolarHBondContact O-N 2.75Å; I1084-K1122 WeakPolarHBondContact O-CE 3.44Å; I1084-K1122 PolarHBondContact O-NZ 3.07Å |
| 1085 | T | 87 | Confident | 90.5 | Very high | 40 Ų | 40 | 23 Ų | 23 | 25% | 0.245 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -80.2 | -38.2 | -174.9 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | F1036 G1081 T1082 | F1036-T1085 HydrophobicContact CB-CG2 4.5Å; G1081-T1085 VanDerWaalsContact O-CB 3.25Å; G1081-T1085 WeakPolarHBondContact O-CB 3.48Å; G1081-T1085 PolarHBondContact O-N 2.72Å; G1081-T1085 PolarHBondContact O-OG1 3.02Å; T1082-T1085 PolarHBondContact O-N 2.85Å |
| 1086 | A | 88.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -70.9 | 153 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1039 L1041 T1082 Y1088 K1122 | E1039-A1086 HydrophobicContact CB-CB 4.4Å; E1039-A1086 WeakPolarHBondContact O-CA 3.18Å; L1041-A1086 HydrophobicContact CD1-CB 3.89Å; L1041-A1086 HydrophobicContact CG-CB 4.31Å; T1082-A1086 VanDerWaalsContact O-CB 3.25Å; T1082-A1086 WeakPolarHBondContact O-CB 3.31Å; T1082-A1086 PolarHBondContact O-N 2.8Å; A1086-Y1088 HydrophobicContact CB-CD1 4.09Å; A1086-Y1088 HydrophobicContact CB-CE1 4.29Å; A1086-K1122 PolarHBondContact O-NZ 3Å |
| 1087 | S | 87.1 | Confident | 90.8 | Very high | 27 Ų | 27 | 21.8 Ų | 21.8 | 19% | 0.189 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -94.2 | 109.7 | 176.1 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | E1039 L1041 K1042 | E1039-S1087 PolarHBondContact O-N 2.83Å; L1041-S1087 CarbonylContact C-O 3.58Å; L1041-S1087 WeakPolarHBondContact CA-O 3.05Å; L1041-S1087 PolarHBondContact N-O 3.26Å; K1042-S1087 PolarHBondContact N-O 3.48Å; K1042-S1087 VanDerWaalsContact N-O 3.14Å |
| 1088 | Y | 88.6 | Confident | 90.9 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | trans | -162.8 | 165.5 | 175.7 | 65.1 | -79.7 | 0 | 0 | 0 | 111.2 | A949 F1083 A1086 I1091 V1120 K1122 E1125 | A949-Y1088 VanDerWaalsContact CB-OH 3.26Å; A949-Y1088 WeakPolarHBondContact CB-OH 3.39Å; F1083-Y1088 HydrophobicContact CB-CE1 4.39Å; F1083-Y1088 VanDerWaalsContact CB-OH 3.23Å; F1083-Y1088 WeakPolarHBondContact CB-OH 3.39Å; F1083-Y1088 HydrophobicContact CD1-CE1 4.1Å; F1083-Y1088 AromaticContact CD1-CZ 3.83Å; F1083-Y1088 WeakPolarHBondContact O-CE1 3.45Å; F1083-Y1088 PolarHBondContact O-OH 3.49Å; F1083-Y1088 VanDerWaalsContact O-OH 3.06Å; A1086-Y1088 HydrophobicContact CB-CD1 4.09Å; A1086-Y1088 HydrophobicContact CB-CE1 4.29Å; Y1088-I1091 HydrophobicContact CD2-CB 4.3Å; Y1088-I1091 HydrophobicContact CD2-CG2 3.98Å; Y1088-I1091 HydrophobicContact CE2-CG2 4.09Å; Y1088-V1120 HydrophobicContact CE2-CG1 4.06Å; Y1088-K1122 HydrophobicContact CD2-CB 4.29Å; Y1088-K1122 HydrophobicContact CE1-CB 4.36Å; Y1088-K1122 HydrophobicContact CE1-CD 4.13Å; Y1088-K1122 HydrophobicContact CE2-CB 3.75Å; Y1088-E1125 VanDerWaalsContact O-CB 3.31Å; Y1088-E1125 WeakPolarHBondContact O-CB 3.47Å; Y1088-E1125 WeakPolarHBondContact O-CG 3.03Å | ||
| 1089 | Q | 85.4 | Confident | 90.9 | Very high | 113 Ų | 113 | 22.2 Ų | 22.2 | 53% | 0.528 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -105 | -51.6 | 175.9 | -172.7 | -176.9 | 12.7 | 0 | 0 | 112.3 | S1121 K1122 | Q1089-S1121 WeakPolarHBondContact O-CA 3.39Å; Q1089-K1122 PolarHBondContact O-N 2.86Å |
| 1090 | S | 88.8 | Confident | 90.8 | Very high | 71 Ų | 71 | 27.3 Ų | 27.3 | 50% | 0.497 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 136.4 | 175.8 | -169 | 0 | 0 | 0 | 0 | 108.5 | V1120 | S1090-V1120 CarbonylContact C-O 3.56Å; S1090-V1120 WeakPolarHBondContact CA-O 3.41Å |
| 1091 | I | 92.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136.9 | 178.9 | -159.4 | 158 | 0 | 0 | 0 | 109.6 | L1041 T1044 L1047 F1083 Y1088 V1120 | L1041-I1091 HydrophobicContact CB-CD1 4.41Å; L1041-I1091 HydrophobicContact CD1-CD1 4.34Å; T1044-I1091 HydrophobicContact CG2-CD1 3.79Å; L1047-I1091 HydrophobicContact CD1-CD1 3.68Å; L1047-I1091 HydrophobicContact CD1-CG1 4.16Å; L1047-I1091 HydrophobicContact CD1-CG2 4.35Å; L1047-I1091 HydrophobicContact CD2-CD1 4.15Å; L1047-I1091 HydrophobicContact CG-CD1 3.52Å; L1047-I1091 HydrophobicContact CG-CG1 3.92Å; F1083-I1091 HydrophobicContact CE1-CG2 4.21Å; Y1088-I1091 HydrophobicContact CD2-CB 4.3Å; Y1088-I1091 HydrophobicContact CD2-CG2 3.98Å; Y1088-I1091 HydrophobicContact CE2-CG2 4.09Å; I1091-V1120 HydrophobicContact CG2-CB 3.96Å; I1091-V1120 HydrophobicContact CG2-CG1 4.5Å; I1091-V1120 PolarHBondContact N-O 2.99Å; I1091-V1120 WeakPolarHBondContact O-CA 3.33Å; I1091-V1120 PolarHBondContact O-N 2.84Å |
| 1092 | D | 94 | Very high | 90.3 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.9 | 177.9 | -69.6 | -21.2 | 0 | 0 | 0 | 109.4 | K1045 T1046 L1047 I1094 V1117 | K1045-D1092 PolarHBondContact O-N 2.82Å; T1046-D1092 CarbonylContact C-O 3.27Å; T1046-D1092 WeakPolarHBondContact CA-O 3.44Å; T1046-D1092 HydrophobicContact CG2-CB 4.34Å; L1047-D1092 PolarHBondContact N-O 3.15Å; D1092-I1094 HydrophobicContact CB-CD1 4.38Å; D1092-I1094 HydrophobicContact CB-CG1 4.21Å; D1092-V1117 HydrophobicContact CB-CG1 3.95Å |
| 1093 | L | 94.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.4 | 174.2 | -173.8 | 64.1 | 0 | 0 | 0 | 108.6 | P992 L1001 L1002 L1047 F1083 L1118 V1120 | P992-L1093 HydrophobicContact CB-CD1 4.17Å; P992-L1093 HydrophobicContact CG-CD1 3.64Å; P992-L1093 HydrophobicContact CG-CG 4.21Å; L1001-L1093 HydrophobicContact CB-CD1 4.43Å; L1001-L1093 HydrophobicContact CD1-CD1 4.2Å; L1002-L1093 HydrophobicContact CD1-CD2 4.14Å; L1002-L1093 HydrophobicContact CD1-CG 4.39Å; L1002-L1093 HydrophobicContact CD2-CD2 3.6Å; L1002-L1093 HydrophobicContact CG-CD2 3.75Å; L1002-L1093 HydrophobicContact CG-CG 4.41Å; L1047-L1093 HydrophobicContact CB-CD1 3.8Å; L1047-L1093 HydrophobicContact CD1-CD1 4.4Å; F1083-L1093 HydrophobicContact CZ-CD2 4.12Å; L1093-L1118 HydrophobicContact CB-CB 4.43Å; L1093-L1118 WeakPolarHBondContact CB-O 3.47Å; L1093-L1118 HydrophobicContact CD2-CD2 4.5Å; L1093-L1118 PolarHBondContact N-O 3.08Å; L1093-L1118 PolarHBondContact O-N 3.09Å; L1093-V1120 HydrophobicContact CB-CG2 4.25Å |
| 1094 | I | 95.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 35.6 Ų | 35.6 | 9% | 0.087 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.2 | -168.4 | -55.6 | 179.3 | 0 | 0 | 0 | 110.1 | P992 T1046 L1047 D1048 D1092 D1115 V1116 V1117 | P992-I1094 WeakPolarHBondContact CD-O 3.36Å; P992-I1094 WeakPolarHBondContact CG-O 3.37Å; T1046-I1094 HydrophobicContact CG2-CD1 3.74Å; L1047-I1094 PolarHBondContact O-N 3.31Å; D1048-I1094 HydrophobicContact CB-CB 4.1Å; D1092-I1094 HydrophobicContact CB-CD1 4.38Å; D1092-I1094 HydrophobicContact CB-CG1 4.21Å; I1094-D1115 HydrophobicContact CG2-CB 3.75Å; I1094-V1116 WeakPolarHBondContact CA-O 3.05Å; I1094-V1117 HydrophobicContact CG1-CG1 4.37Å; I1094-V1117 HydrophobicContact CG1-CG2 4.26Å |
| 1095 | S | 94.6 | Very high | 89 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.7 | 166.8 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | S990 L991 V1116 | S990-S1095 WeakPolarHBondContact O-CA 3.5Å; L991-S1095 WeakPolarHBondContact CD2-OG 3.43Å; S1095-V1116 PolarHBondContact N-O 3.49Å; S1095-V1116 PolarHBondContact O-N 3.43Å |
| 1096 | S | 94.5 | Very high | 88.7 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.5 | -173.8 | 77.8 | 0 | 0 | 0 | 0 | 112 | S990 | S990-S1096 WeakPolarHBondContact CB-OG 3.37Å; S990-S1096 PolarHBondContact N-O 3.11Å; S990-S1096 PolarHBondContact O-N 2.75Å |
| 1097 | L | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.8 | 177.9 | -51.2 | 174.6 | 0 | 0 | 0 | 109.5 | L938 T940 F971 V973 T988 I989 H1113 L1114 V1116 | L938-L1097 HydrophobicContact CD1-CB 4.33Å; T940-L1097 HydrophobicContact CG2-CD1 3.32Å; F971-L1097 HydrophobicContact CE2-CD2 4.36Å; V973-L1097 HydrophobicContact CB-CD1 4.41Å; V973-L1097 HydrophobicContact CG1-CD1 3.85Å; V973-L1097 HydrophobicContact CG2-CD1 3.75Å; V973-L1097 HydrophobicContact CG2-CD2 3.74Å; V973-L1097 HydrophobicContact CG2-CG 4.43Å; T988-L1097 WeakPolarHBondContact O-CA 3.24Å; I989-L1097 HydrophobicContact CB-CD2 4.06Å; I989-L1097 HydrophobicContact CD1-CD2 4.39Å; I989-L1097 HydrophobicContact CG1-CD2 3.77Å; I989-L1097 HydrophobicContact CG2-CD2 3.72Å; L1097-H1113 CarbonylContact O-C 3.3Å; L1097-H1113 VanDerWaalsContact O-CA 3.26Å; L1097-H1113 WeakPolarHBondContact O-CA 3.35Å; L1097-H1113 PolarHBondContact O-ND1 3.33Å; L1097-L1114 WeakPolarHBondContact CA-O 3.34Å; L1097-L1114 HydrophobicContact CB-CB 4.39Å; L1097-L1114 WeakPolarHBondContact CB-O 3.49Å; L1097-L1114 HydrophobicContact CD1-CB 4.41Å; L1097-L1114 HydrophobicContact CD1-CD2 4.32Å; L1097-L1114 HydrophobicContact CD1-CG 4.47Å; L1097-L1114 WeakPolarHBondContact CG-O 3.27Å; L1097-L1114 PolarHBondContact N-O 3.16Å; L1097-L1114 PolarHBondContact O-N 2.95Å; L1097-V1116 HydrophobicContact CD1-CG2 3.77Å; L1097-V1116 HydrophobicContact CG-CG2 4.09Å |
| 1098 | D | 93.5 | Very high | 88.6 | Confident | 42 Ų | 42 | 41.2 Ų | 41.2 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.4 | 175.7 | -72.5 | -78.6 | 0 | 0 | 0 | 110.1 | L987 T988 K1112 H1113 | L987-D1098 CarbonylContact C-O 3.57Å; L987-D1098 WeakPolarHBondContact CA-O 3.49Å; T988-D1098 PolarHBondContact N-O 3.22Å; T988-D1098 PolarHBondContact O-N 2.99Å; D1098-K1112 CarbonylContact C-O 3.58Å; D1098-K1112 WeakPolarHBondContact CA-O 3.32Å; D1098-H1113 IonicContact OD1-CE1 3.79Å; D1098-H1113 IonicContact OD1-CG 2.98Å; D1098-H1113 IonicContact OD1-ND1 2.76Å; D1098-H1113 PolarHBondContact OD1-ND1 2.99Å; D1098-H1113 IonicContact OD2-CE1 3.84Å; D1098-H1113 IonicContact OD2-ND1 3.53Å; D1098-H1113 PolarHBondContact OD2-ND1 3.24Å |
| 1099 | V | 92.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.5 | 173.5 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | V936 L938 L985 F986 V1109 K1112 | V936-V1099 HydrophobicContact CG1-CG1 4.35Å; V936-V1099 HydrophobicContact CG1-CG2 4.47Å; L938-V1099 HydrophobicContact CD1-CB 4.12Å; L938-V1099 HydrophobicContact CD1-CG1 3.78Å; L938-V1099 HydrophobicContact CD2-CB 4.18Å; L938-V1099 HydrophobicContact CD2-CG1 4.14Å; L938-V1099 HydrophobicContact CG-CB 4.43Å; L938-V1099 HydrophobicContact CG-CG1 3.94Å; L985-V1099 HydrophobicContact CD2-CG2 4.15Å; F986-V1099 CarbonylContact O-C 3.58Å; F986-V1099 WeakPolarHBondContact O-CA 3.4Å; V1099-V1109 HydrophobicContact CG1-CB 4.41Å; V1099-V1109 HydrophobicContact CG1-CG1 3.81Å; V1099-V1109 HydrophobicContact CG1-CG2 4.37Å; V1099-K1112 HydrophobicContact CG1-CB 4.47Å; V1099-K1112 PolarHBondContact N-O 2.98Å |
| 1100 | K | 90.3 | Very high | 88.4 | Confident | 122 Ų | 122 | 41.4 Ų | 41.4 | 53% | 0.53 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.7 | 177.3 | -65.5 | -178.9 | -177.4 | 174.7 | 0 | 110.5 | L985 F986 | L985-K1100 CarbonylContact C-O 3.54Å; L985-K1100 WeakPolarHBondContact CA-O 3.42Å; F986-K1100 PolarHBondContact N-O 2.84Å; F986-K1100 PolarHBondContact O-N 2.83Å |
| 1101 | T | 87.8 | Confident | 88.2 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 167 | 172.1 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | T934 L985 K1103 P1104 L1107 V1109 | T934-T1101 HydrophobicContact CG2-CG2 4.03Å; L985-T1101 HydrophobicContact CD2-CG2 3.73Å; T1101-K1103 PolarHBondContact O-N 2.82Å; T1101-K1103 VanDerWaalsContact OG1-C 3.29Å; T1101-K1103 PolarHBondContact OG1-O 2.71Å; T1101-P1104 WeakPolarHBondContact OG1-CA 3.33Å; T1101-L1107 HydrophobicContact CG2-CB 3.83Å; T1101-L1107 WeakPolarHBondContact CG2-O 3.24Å; T1101-L1107 PolarHBondContact OG1-O 3.42Å; T1101-V1109 HydrophobicContact CG2-CG2 3.85Å |
| 1102 | S | 78.6 | Confident | 88 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -62.6 | -25.9 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | L984 | L984-S1102 PolarHBondContact O-N 3.48Š|
| 1103 | K | 78.8 | Confident | 87.9 | Confident | 103 Ų | 103 | 51.6 Ų | 51.6 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -127.3 | 73.8 | 178.8 | -64.5 | 179.8 | -177.4 | 173.5 | 0 | 110.1 | T1101 D1105 L1106 L1107 | T1101-K1103 PolarHBondContact O-N 2.82Å; T1101-K1103 VanDerWaalsContact OG1-C 3.29Å; T1101-K1103 PolarHBondContact OG1-O 2.71Å; K1103-D1105 PolarHBondContact O-N 3.31Å; K1103-D1105 VanDerWaalsContact O-N 3.12Å; K1103-L1106 HydrophobicContact CB-CB 4.19Å; K1103-L1106 HydrophobicContact CD-CD2 4.26Å; K1103-L1106 PolarHBondContact O-N 2.85Å; K1103-L1107 HydrophobicContact CB-CD1 4.42Å; K1103-L1107 HydrophobicContact CB-CG 4.36Å; K1103-L1107 PolarHBondContact O-N 3.26Å |
| 1104 | P | 80.1 | Confident | 87.9 | Confident | 69 Ų | 69 | 54 Ų | 54 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.6 | -170.3 | 26.9 | -35.7 | 0 | 0 | 0 | 114.2 | T1101 I1108 | T1101-P1104 WeakPolarHBondContact OG1-CA 3.33Å; P1104-I1108 VanDerWaalsContact O-CD1 3.24Å; P1104-I1108 WeakPolarHBondContact O-CD1 3.42Å |
| 1105 | D | 80.8 | Confident | 87.8 | Confident | 140 Ų | 140 | 56.6 Ų | 56.6 | 75% | 0.749 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -21.5 | 177.4 | -59 | -39 | 0 | 0 | 0 | 112.9 | Q931 K1103 | Q931-D1105 PolarHBondContact NE2-O 2.99Å; Q931-D1105 VanDerWaalsContact NE2-O 3.09Å; K1103-D1105 PolarHBondContact O-N 3.31Å; K1103-D1105 VanDerWaalsContact O-N 3.12Å |
| 1106 | L | 82.3 | Confident | 87.8 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -43.9 | -176.9 | -173.8 | 62.1 | 0 | 0 | 0 | 111.8 | Q900 N902 V930 F932 K1103 | Q900-L1106 HydrophobicContact CB-CD2 4.27Å; N902-L1106 HydrophobicContact CB-CD1 4.1Å; V930-L1106 WeakPolarHBondContact O-CD1 3.43Å; F932-L1106 HydrophobicContact CD2-CD1 3.89Å; F932-L1106 HydrophobicContact CD2-CG 3.82Å; F932-L1106 HydrophobicContact CE2-CD1 3.6Å; F932-L1106 HydrophobicContact CE2-CD2 4.29Å; F932-L1106 HydrophobicContact CE2-CG 3.83Å; F932-L1106 PolarHBondContact N-O 2.89Å; K1103-L1106 HydrophobicContact CB-CB 4.19Å; K1103-L1106 HydrophobicContact CD-CD2 4.26Å; K1103-L1106 PolarHBondContact O-N 2.85Å |
| 1107 | L | 85.3 | Confident | 87.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 95.9 | -177.4 | -58.3 | -179.3 | 0 | 0 | 0 | 109.1 | F932 T934 F980 L982 T1101 K1103 | F932-L1107 HydrophobicContact CB-CD2 4Å; F932-L1107 HydrophobicContact CD2-CD2 3.91Å; F932-L1107 HydrophobicContact CG-CD2 4.3Å; T934-L1107 HydrophobicContact CG2-CB 3.76Å; F980-L1107 HydrophobicContact CE1-CD1 4.47Å; F980-L1107 HydrophobicContact CE1-CD2 3.48Å; F980-L1107 VanDerWaalsContact CE1-CD2 3.48Å; F980-L1107 HydrophobicContact CZ-CD2 3.44Å; F980-L1107 VanDerWaalsContact CZ-CD2 3.44Å; L982-L1107 HydrophobicContact CD2-CD1 4Å; T1101-L1107 HydrophobicContact CG2-CB 3.83Å; T1101-L1107 WeakPolarHBondContact CG2-O 3.24Å; T1101-L1107 PolarHBondContact OG1-O 3.42Å; K1103-L1107 HydrophobicContact CB-CD1 4.42Å; K1103-L1107 HydrophobicContact CB-CG 4.36Å; K1103-L1107 PolarHBondContact O-N 3.26Å |
| 1108 | I | 86.6 | Confident | 87.8 | Confident | 41 Ų | 41 | 59 Ų | 59 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 133.1 | -174.5 | -51.7 | -55.6 | 0 | 0 | 0 | 110.2 | L817 Q931 F932 T934 P1104 | L817-I1108 HydrophobicContact CD1-CB 4.3Å; L817-I1108 HydrophobicContact CD1-CG1 4.27Å; Q931-I1108 HydrophobicContact CB-CG1 3.94Å; Q931-I1108 HydrophobicContact CG-CD1 4.46Å; Q931-I1108 HydrophobicContact CG-CG1 4.22Å; F932-I1108 PolarHBondContact O-N 3.03Å; T934-I1108 WeakPolarHBondContact CG2-O 3.38Å; T934-I1108 PolarHBondContact N-O 2.87Å; T934-I1108 PolarHBondContact OG1-O 3.3Å; P1104-I1108 VanDerWaalsContact O-CD1 3.24Å; P1104-I1108 WeakPolarHBondContact O-CD1 3.42Å |
| 1109 | V | 87.3 | Confident | 87.8 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -103.8 | 112.1 | 164.3 | -175.7 | 0 | 0 | 0 | 0 | 106.9 | T934 V936 V1099 T1101 H1111 K1112 | T934-V1109 WeakPolarHBondContact OG1-CG2 3.36Å; V936-V1109 HydrophobicContact CB-CG1 4.02Å; V936-V1109 HydrophobicContact CB-CG2 4.19Å; V936-V1109 HydrophobicContact CG1-CG1 4.28Å; V1099-V1109 HydrophobicContact CG1-CB 4.41Å; V1099-V1109 HydrophobicContact CG1-CG1 3.81Å; V1099-V1109 HydrophobicContact CG1-CG2 4.37Å; T1101-V1109 HydrophobicContact CG2-CG2 3.85Å; V1109-H1111 VanDerWaalsContact C-N 3.34Å; V1109-H1111 PolarHBondContact O-N 2.77Å; V1109-K1112 HydrophobicContact CB-CB 4.11Å; V1109-K1112 HydrophobicContact CG1-CB 4.23Å | ||
| 1110 | Q | 83 | Confident | 87.8 | Confident | 108 Ų | 108 | 59 Ų | 59 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -44.5 | -176.8 | -67.6 | -170.5 | -9.9 | 0 | 0 | 112.2 | D933 | D933-Q1110 VanDerWaalsContact OD2-CD 3.29Å; D933-Q1110 PolarHBondContact OD2-NE2 3.19Å |
| 1111 | H | 85.8 | Confident | 87.9 | Confident | 129 Ų | 129 | 55 Ų | 55 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 63.5 | -178.8 | -58.3 | 91.9 | 0 | 0 | 0 | 110.1 | V1109 H1113 | V1109-H1111 VanDerWaalsContact C-N 3.34Å; V1109-H1111 PolarHBondContact O-N 2.77Å; H1111-H1113 PolarHBondContact O-N 2.98Å |
| 1112 | K | 87.9 | Confident | 87.9 | Confident | 126 Ų | 126 | 55.6 Ų | 55.6 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | trans | -70.1 | -14.4 | -174.1 | 69.1 | -177.4 | 179.6 | -173.3 | 0 | 115 | D1098 V1099 V1109 | D1098-K1112 CarbonylContact C-O 3.58Å; D1098-K1112 WeakPolarHBondContact CA-O 3.32Å; V1099-K1112 HydrophobicContact CG1-CB 4.47Å; V1099-K1112 PolarHBondContact N-O 2.98Å; V1109-K1112 HydrophobicContact CB-CB 4.11Å; V1109-K1112 HydrophobicContact CG1-CB 4.23Å | ||
| 1113 | H | 92.4 | Very high | 87.9 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.398 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.1 | -173.8 | -172 | 83.3 | 0 | 0 | 0 | 110.7 | L1097 D1098 H1111 D1115 | L1097-H1113 CarbonylContact O-C 3.3Å; L1097-H1113 VanDerWaalsContact O-CA 3.26Å; L1097-H1113 WeakPolarHBondContact O-CA 3.35Å; L1097-H1113 PolarHBondContact O-ND1 3.33Å; D1098-H1113 IonicContact OD1-CE1 3.79Å; D1098-H1113 IonicContact OD1-CG 2.98Å; D1098-H1113 IonicContact OD1-ND1 2.76Å; D1098-H1113 PolarHBondContact OD1-ND1 2.99Å; D1098-H1113 IonicContact OD2-CE1 3.84Å; D1098-H1113 IonicContact OD2-ND1 3.53Å; D1098-H1113 PolarHBondContact OD2-ND1 3.24Å; H1111-H1113 PolarHBondContact O-N 2.98Å; H1113-D1115 IonicContact CE1-OD1 2.64Å; H1113-D1115 IonicContact NE2-OD1 2.61Å; H1113-D1115 PolarHBondContact NE2-OD1 3.05Å; H1113-D1115 IonicContact NE2-OD2 2.95Å |
| 1114 | L | 94.1 | Very high | 87.6 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 129.5 | 175.8 | -179.9 | 64.9 | 0 | 0 | 0 | 110.3 | L938 T940 L1097 | L938-L1114 HydrophobicContact CB-CB 4.09Å; L938-L1114 HydrophobicContact CB-CD2 3.85Å; L938-L1114 HydrophobicContact CD1-CB 4.22Å; T940-L1114 HydrophobicContact CG2-CD2 3.64Å; T940-L1114 HydrophobicContact CG2-CG 4.45Å; L1097-L1114 WeakPolarHBondContact CA-O 3.34Å; L1097-L1114 HydrophobicContact CB-CB 4.39Å; L1097-L1114 WeakPolarHBondContact CB-O 3.49Å; L1097-L1114 HydrophobicContact CD1-CB 4.41Å; L1097-L1114 HydrophobicContact CD1-CD2 4.32Å; L1097-L1114 HydrophobicContact CD1-CG 4.47Å; L1097-L1114 WeakPolarHBondContact CG-O 3.27Å; L1097-L1114 PolarHBondContact N-O 3.16Å; L1097-L1114 PolarHBondContact O-N 2.95Å |
| 1115 | D | 94.2 | Very high | 87.2 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.4 | 177.1 | -77.3 | -32.3 | 0 | 0 | 0 | 111.7 | I1094 H1113 V1117 | I1094-D1115 HydrophobicContact CG2-CB 3.75Å; H1113-D1115 IonicContact CE1-OD1 2.64Å; H1113-D1115 IonicContact NE2-OD1 2.61Å; H1113-D1115 PolarHBondContact NE2-OD1 3.05Å; H1113-D1115 IonicContact NE2-OD2 2.95Å; D1115-V1117 HydrophobicContact CB-CG2 4.15Å |
| 1116 | V | 94.1 | Very high | 86.3 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 105.8 | 167.5 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | T940 F969 F971 I1094 S1095 L1097 | T940-V1116 HydrophobicContact CG2-CG2 3.72Å; F969-V1116 HydrophobicContact CZ-CG1 3.91Å; F971-V1116 HydrophobicContact CB-CG1 4.11Å; F971-V1116 HydrophobicContact CD1-CG1 4.23Å; F971-V1116 HydrophobicContact CD2-CG1 4.28Å; F971-V1116 HydrophobicContact CD2-CG2 3.98Å; F971-V1116 HydrophobicContact CE2-CG2 4.16Å; F971-V1116 HydrophobicContact CG-CG1 3.96Å; F971-V1116 HydrophobicContact CG-CG2 4.49Å; I1094-V1116 WeakPolarHBondContact CA-O 3.05Å; S1095-V1116 PolarHBondContact N-O 3.49Å; S1095-V1116 PolarHBondContact O-N 3.43Å; L1097-V1116 HydrophobicContact CD1-CG2 3.77Å; L1097-V1116 HydrophobicContact CG-CG2 4.09Å |
| 1117 | V | 94.1 | Very high | 85 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 124.8 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | D1092 I1094 D1115 | D1092-V1117 HydrophobicContact CB-CG1 3.95Å; I1094-V1117 HydrophobicContact CG1-CG1 4.37Å; I1094-V1117 HydrophobicContact CG1-CG2 4.26Å; D1115-V1117 HydrophobicContact CB-CG2 4.15Å |
| 1118 | L | 95.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 103.6 | 168.9 | 179.7 | 68.3 | 0 | 0 | 0 | 110 | I944 F969 I1078 L1093 V1120 | I944-L1118 HydrophobicContact CD1-CD1 4.3Å; I944-L1118 HydrophobicContact CG1-CD1 4.17Å; F969-L1118 HydrophobicContact CD1-CD2 4.16Å; F969-L1118 HydrophobicContact CD2-CD1 4.26Å; F969-L1118 HydrophobicContact CD2-CD2 3.96Å; F969-L1118 HydrophobicContact CE1-CB 4.36Å; F969-L1118 HydrophobicContact CE1-CD2 4.34Å; F969-L1118 HydrophobicContact CE2-CB 4.17Å; F969-L1118 HydrophobicContact CE2-CD1 4.03Å; F969-L1118 HydrophobicContact CE2-CD2 4.14Å; F969-L1118 HydrophobicContact CE2-CG 4.34Å; F969-L1118 HydrophobicContact CG-CD2 3.95Å; F969-L1118 HydrophobicContact CZ-CB 3.93Å; F969-L1118 HydrophobicContact CZ-CD2 4.32Å; I1078-L1118 HydrophobicContact CD1-CD2 3.49Å; I1078-L1118 VanDerWaalsContact CD1-CD2 3.49Å; I1078-L1118 HydrophobicContact CG1-CD2 4.33Å; L1093-L1118 HydrophobicContact CB-CB 4.43Å; L1093-L1118 WeakPolarHBondContact CB-O 3.47Å; L1093-L1118 HydrophobicContact CD2-CD2 4.5Å; L1093-L1118 PolarHBondContact N-O 3.08Å; L1093-L1118 PolarHBondContact O-N 3.09Å; L1118-V1120 HydrophobicContact CG-CG2 4.48Å; L1118-V1120 PolarHBondContact O-N 2.8Å |
| 1119 | P | 93.9 | Very high | 82.1 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 29% | 0.286 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 126.7 | 172.5 | -21 | 33.4 | 0 | 0 | 0 | 111.5 | N945 F946 Y947 | N945-P1119 VanDerWaalsContact O-CD 3.29Å; N945-P1119 WeakPolarHBondContact O-CD 3.33Å; F946-P1119 CarbonylContact C-O 3.56Å; F946-P1119 WeakPolarHBondContact CA-O 3.44Å; Y947-P1119 PolarHBondContact N-O 3.43Å |
| 1120 | V | 92.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.6 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | Y947 F1083 Y1088 S1090 I1091 L1093 L1118 | Y947-V1120 HydrophobicContact CD1-CB 4.36Å; Y947-V1120 HydrophobicContact CD1-CG1 3.61Å; Y947-V1120 HydrophobicContact CD1-CG2 4.06Å; Y947-V1120 HydrophobicContact CE1-CG1 4.08Å; Y947-V1120 WeakPolarHBondContact O-CA 3.48Å; F1083-V1120 HydrophobicContact CD1-CG1 3.67Å; F1083-V1120 HydrophobicContact CE1-CB 4.35Å; F1083-V1120 HydrophobicContact CE1-CG1 3.98Å; F1083-V1120 HydrophobicContact CE1-CG2 4.35Å; F1083-V1120 HydrophobicContact CG-CG1 4.04Å; F1083-V1120 HydrophobicContact CZ-CG2 4.38Å; Y1088-V1120 HydrophobicContact CE2-CG1 4.06Å; S1090-V1120 CarbonylContact C-O 3.56Å; S1090-V1120 WeakPolarHBondContact CA-O 3.41Å; I1091-V1120 HydrophobicContact CG2-CB 3.96Å; I1091-V1120 HydrophobicContact CG2-CG1 4.5Å; I1091-V1120 PolarHBondContact N-O 2.99Å; I1091-V1120 WeakPolarHBondContact O-CA 3.33Å; I1091-V1120 PolarHBondContact O-N 2.84Å; L1093-V1120 HydrophobicContact CB-CG2 4.25Å; L1118-V1120 HydrophobicContact CG-CG2 4.48Å; L1118-V1120 PolarHBondContact O-N 2.8Å |
| 1121 | S | 90.9 | Very high | 79.8 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148.9 | -178.7 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | Y947 V948 A949 Q1089 | Y947-S1121 PolarHBondContact O-N 3.37Å; V948-S1121 WeakPolarHBondContact CA-O 3.08Å; A949-S1121 PolarHBondContact N-O 3.33Å; Q1089-S1121 WeakPolarHBondContact O-CA 3.39Å |
| 1122 | K | 87.8 | Confident | 78.8 | Confident | 17 Ų | 17 | 66.9 Ų | 66.9 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | trans | -125 | 95.4 | 175.5 | -167.7 | -177.4 | -169.3 | -177.7 | 0 | 109.5 | I1084 A1086 Y1088 Q1089 G1124 | I1084-K1122 WeakPolarHBondContact O-CE 3.44Å; I1084-K1122 PolarHBondContact O-NZ 3.07Å; A1086-K1122 PolarHBondContact O-NZ 3Å; Y1088-K1122 HydrophobicContact CD2-CB 4.29Å; Y1088-K1122 HydrophobicContact CE1-CB 4.36Å; Y1088-K1122 HydrophobicContact CE1-CD 4.13Å; Y1088-K1122 HydrophobicContact CE2-CB 3.75Å; Q1089-K1122 PolarHBondContact O-N 2.86Å; K1122-G1124 PolarHBondContact O-N 3.45Å | ||
| 1123 | P | 79.6 | Confident | 77.8 | Confident | 75 Ų | 75 | 64.5 Ų | 64.5 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 135.4 | -177.7 | -16.3 | 28.9 | 0 | 0 | 0 | 111 | V948 | V948-P1123 HydrophobicContact CG1-CG 3.46Å; V948-P1123 VanDerWaalsContact CG1-CG 3.46Å |
| 1124 | G | 71.2 | Confident | 76.6 | Confident | 81 Ų | 81 | 65 Ų | 65 | 84% | 0.835 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.8 | -7.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K1122 | K1122-G1124 PolarHBondContact O-N 3.45Š|
| 1125 | E | 71.5 | Confident | 75.7 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -79 | 133.4 | 173 | -162.4 | 62.4 | -148.1 | 0 | 0 | 110.8 | K1042 Y1088 | K1042-E1125 VanDerWaalsContact CE-OE1 3.29Å; K1042-E1125 WeakPolarHBondContact CE-OE1 3.37Å; K1042-E1125 IonicContact NZ-OE1 3.11Å; K1042-E1125 PolarHBondContact NZ-OE1 3.25Å; Y1088-E1125 VanDerWaalsContact O-CB 3.31Å; Y1088-E1125 WeakPolarHBondContact O-CB 3.47Å; Y1088-E1125 WeakPolarHBondContact O-CG 3.03Å |
| 1126 | K | 61.8 | Low | 74.9 | Confident | 178 Ų | 178 | 64.6 Ų | 64.6 | 77% | 0.774 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 128.3 | -178.3 | -66.9 | -178.2 | -178.5 | 177.8 | 0 | 110.7 | ||
| 1127 | A | 56.1 | Low | 74.1 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 134.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1129 | A1127-V1129 PolarHBondContact O-N 2.86Å; A1127-V1129 VanDerWaalsContact O-N 3.1Å |
| 1128 | D | 53.8 | Low | 73.4 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 66% | 0.658 | 44% | 0.439 | S | S | * | . | trans | -67.3 | 108.7 | 169 | -103.6 | -29.8 | 0 | 0 | 0 | 108.4 | P1130 | D1128-P1130 WeakPolarHBondContact O-CD 3.34Š| ||
| 1129 | V | 56.8 | Low | 72.9 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | trans | -71.4 | 118.9 | 166.7 | -177.7 | 0 | 0 | 0 | 0 | 106 | A1127 V1131 V1133 I1134 | A1127-V1129 PolarHBondContact O-N 2.86Å; A1127-V1129 VanDerWaalsContact O-N 3.1Å; V1129-V1131 PolarHBondContact O-N 3.07Å; V1129-V1133 HydrophobicContact CG1-CB 4.27Å; V1129-V1133 HydrophobicContact CG1-CG1 4.33Å; V1129-I1134 HydrophobicContact CB-CD1 4.33Å; V1129-I1134 HydrophobicContact CB-CG1 4.44Å; V1129-I1134 HydrophobicContact CG1-CD1 4.33Å; V1129-I1134 HydrophobicContact CG1-CG1 3.89Å | ||
| 1130 | P | 59.4 | Low | 72.5 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | trans | -54.6 | 131.6 | -176.6 | -22.9 | 30.9 | 0 | 0 | 0 | 110 | D1128 G1132 V1133 I1134 | D1128-P1130 WeakPolarHBondContact O-CD 3.34Å; P1130-G1132 PolarHBondContact O-N 3.09Å; P1130-V1133 HydrophobicContact CB-CG2 4.14Å; P1130-V1133 HydrophobicContact CG-CG2 4.2Å; P1130-V1133 WeakPolarHBondContact O-CA 3.35Å; P1130-V1133 WeakPolarHBondContact O-CB 3.35Å; P1130-V1133 PolarHBondContact O-N 3.15Å; P1130-I1134 PolarHBondContact O-N 2.94Å | ||
| 1131 | V | 61.9 | Low | 72.2 | Confident | 108 Ų | 108 | 74 Ų | 74 | 66% | 0.655 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -53.9 | -31.5 | -179.7 | -180 | 0 | 0 | 0 | 0 | 111.1 | V1129 V1133 I1134 V1135 | V1129-V1131 PolarHBondContact O-N 3.07Å; V1131-V1133 VanDerWaalsContact C-N 3.32Å; V1131-V1133 PolarHBondContact O-N 3.49Å; V1131-I1134 PolarHBondContact O-N 3.3Å; V1131-V1135 HydrophobicContact CG1-CG2 3.95Å; V1131-V1135 WeakPolarHBondContact O-CB 3.39Å; V1131-V1135 VanDerWaalsContact O-CG2 3.23Å; V1131-V1135 WeakPolarHBondContact O-CG2 3.32Å; V1131-V1135 PolarHBondContact O-N 2.88Å |
| 1132 | G | 64.8 | Low | 71.9 | Confident | 58 Ų | 58 | 77.6 Ų | 77.6 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -29.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1130 G1136 | P1130-G1132 PolarHBondContact O-N 3.09Å; G1132-G1136 WeakPolarHBondContact O-CA 3.42Å; G1132-G1136 PolarHBondContact O-N 2.68Å |
| 1133 | V | 67.8 | Low | 71.8 | Confident | 76 Ų | 76 | 80.9 Ų | 80.9 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.5 | -40.8 | 173.1 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | V1129 P1130 V1131 G1136 S1137 | V1129-V1133 HydrophobicContact CG1-CB 4.27Å; V1129-V1133 HydrophobicContact CG1-CG1 4.33Å; P1130-V1133 HydrophobicContact CB-CG2 4.14Å; P1130-V1133 HydrophobicContact CG-CG2 4.2Å; P1130-V1133 WeakPolarHBondContact O-CA 3.35Å; P1130-V1133 WeakPolarHBondContact O-CB 3.35Å; P1130-V1133 PolarHBondContact O-N 3.15Å; V1131-V1133 VanDerWaalsContact C-N 3.32Å; V1131-V1133 PolarHBondContact O-N 3.49Å; V1133-G1136 PolarHBondContact O-N 2.99Å; V1133-S1137 VanDerWaalsContact O-CB 3.24Å; V1133-S1137 WeakPolarHBondContact O-CB 3.18Å; V1133-S1137 PolarHBondContact O-N 3.32Å; V1133-S1137 PolarHBondContact O-OG 3.11Å |
| 1134 | I | 68.3 | Low | 72.1 | Confident | 97 Ų | 97 | 82.9 Ų | 82.9 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 175.7 | -59 | 175.7 | 0 | 0 | 0 | 110.5 | V1129 P1130 V1131 S1137 A1138 | V1129-I1134 HydrophobicContact CB-CD1 4.33Å; V1129-I1134 HydrophobicContact CB-CG1 4.44Å; V1129-I1134 HydrophobicContact CG1-CD1 4.33Å; V1129-I1134 HydrophobicContact CG1-CG1 3.89Å; P1130-I1134 PolarHBondContact O-N 2.94Å; V1131-I1134 PolarHBondContact O-N 3.3Å; I1134-S1137 PolarHBondContact O-N 2.99Å; I1134-A1138 VanDerWaalsContact O-CB 3.25Å; I1134-A1138 WeakPolarHBondContact O-CB 3.4Å; I1134-A1138 PolarHBondContact O-N 3.46Å |
| 1135 | V | 74.5 | Confident | 72.8 | Confident | 72 Ų | 72 | 84 Ų | 84 | 44% | 0.436 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | V1131 A1138 I1139 | V1131-V1135 HydrophobicContact CG1-CG2 3.95Å; V1131-V1135 WeakPolarHBondContact O-CB 3.39Å; V1131-V1135 VanDerWaalsContact O-CG2 3.23Å; V1131-V1135 WeakPolarHBondContact O-CG2 3.32Å; V1131-V1135 PolarHBondContact O-N 2.88Å; V1135-A1138 PolarHBondContact O-N 2.87Å; V1135-I1139 HydrophobicContact CG1-CD1 3.6Å; V1135-I1139 HydrophobicContact CG1-CG1 4.28Å; V1135-I1139 WeakPolarHBondContact O-CB 3.27Å; V1135-I1139 WeakPolarHBondContact O-CG1 3.01Å; V1135-I1139 PolarHBondContact O-N 3Å |
| 1136 | G | 77.4 | Confident | 73.3 | Confident | 41 Ų | 41 | 84.4 Ų | 84.4 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1132 V1133 G1140 | G1132-G1136 WeakPolarHBondContact O-CA 3.42Å; G1132-G1136 PolarHBondContact O-N 2.68Å; V1133-G1136 PolarHBondContact O-N 2.99Å; G1136-G1140 PolarHBondContact O-N 3.12Å |
| 1137 | S | 77.1 | Confident | 74.4 | Confident | 81 Ų | 81 | 81 Ų | 81 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -36.5 | 174 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | V1133 I1134 G1141 | V1133-S1137 VanDerWaalsContact O-CB 3.24Å; V1133-S1137 WeakPolarHBondContact O-CB 3.18Å; V1133-S1137 PolarHBondContact O-N 3.32Å; V1133-S1137 PolarHBondContact O-OG 3.11Å; I1134-S1137 PolarHBondContact O-N 2.99Å; S1137-G1141 PolarHBondContact O-N 3.35Å |
| 1138 | A | 79.4 | Confident | 75.7 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | I1134 V1135 G1141 L1142 | I1134-A1138 VanDerWaalsContact O-CB 3.25Å; I1134-A1138 WeakPolarHBondContact O-CB 3.4Å; I1134-A1138 PolarHBondContact O-N 3.46Å; V1135-A1138 PolarHBondContact O-N 2.87Å; A1138-G1141 PolarHBondContact O-N 2.81Å; A1138-L1142 WeakPolarHBondContact O-CB 3.46Å; A1138-L1142 WeakPolarHBondContact O-CG 3.4Å; A1138-L1142 PolarHBondContact O-N 2.01Å |
| 1139 | I | 83.8 | Confident | 76.9 | Confident | 98 Ų | 98 | 79.1 Ų | 79.1 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 174.6 | -67.9 | 168.9 | 0 | 0 | 0 | 109.9 | V1135 G1141 L1142 V1143 | V1135-I1139 HydrophobicContact CG1-CD1 3.6Å; V1135-I1139 HydrophobicContact CG1-CG1 4.28Å; V1135-I1139 WeakPolarHBondContact O-CB 3.27Å; V1135-I1139 WeakPolarHBondContact O-CG1 3.01Å; V1135-I1139 PolarHBondContact O-N 3Å; I1139-G1141 VanDerWaalsContact C-N 3.31Å; I1139-G1141 PolarHBondContact O-N 3.39Å; I1139-L1142 PolarHBondContact O-N 3.02Å; I1139-V1143 HydrophobicContact CG2-CG2 4.3Å; I1139-V1143 WeakPolarHBondContact O-CB 3.06Å; I1139-V1143 VanDerWaalsContact O-CG2 3.28Å; I1139-V1143 WeakPolarHBondContact O-CG2 3.42Å; I1139-V1143 PolarHBondContact O-N 3.34Å |
| 1140 | G | 86.2 | Confident | 78 | Confident | 40 Ų | 40 | 77 Ų | 77 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1136 V1143 L1144 | G1136-G1140 PolarHBondContact O-N 3.12Å; G1140-V1143 PolarHBondContact O-N 3.04Å; G1140-L1144 WeakPolarHBondContact O-CB 3.33Å; G1140-L1144 PolarHBondContact O-N 3.36Å |
| 1141 | G | 86.2 | Confident | 79 | Confident | 39 Ų | 39 | 77.2 Ų | 77.2 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1137 A1138 I1139 L1144 L1145 | S1137-G1141 PolarHBondContact O-N 3.35Å; A1138-G1141 PolarHBondContact O-N 2.81Å; I1139-G1141 VanDerWaalsContact C-N 3.31Å; I1139-G1141 PolarHBondContact O-N 3.39Å; G1141-L1144 PolarHBondContact O-N 2.77Å; G1141-L1145 WeakPolarHBondContact O-CB 3.29Å; G1141-L1145 PolarHBondContact O-N 3.39Å |
| 1142 | L | 84.8 | Confident | 79.8 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 60% | 0.597 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68 | -37.4 | 176.4 | -80.3 | 167.3 | 0 | 0 | 0 | 112.7 | A1138 I1139 L1145 A1146 | A1138-L1142 WeakPolarHBondContact O-CB 3.46Å; A1138-L1142 WeakPolarHBondContact O-CG 3.4Å; A1138-L1142 PolarHBondContact O-N 2.01Å; I1139-L1142 PolarHBondContact O-N 3.02Å; L1142-L1145 PolarHBondContact O-N 2.89Å; L1142-A1146 WeakPolarHBondContact O-CB 3.4Å; L1142-A1146 PolarHBondContact O-N 3.25Å |
| 1143 | V | 85.1 | Confident | 80.1 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 175 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | I1139 G1140 A1146 L1147 | I1139-V1143 HydrophobicContact CG2-CG2 4.3Å; I1139-V1143 WeakPolarHBondContact O-CB 3.06Å; I1139-V1143 VanDerWaalsContact O-CG2 3.28Å; I1139-V1143 WeakPolarHBondContact O-CG2 3.42Å; I1139-V1143 PolarHBondContact O-N 3.34Å; G1140-V1143 PolarHBondContact O-N 3.04Å; V1143-A1146 PolarHBondContact O-N 2.86Å; V1143-L1147 WeakPolarHBondContact O-CB 3.02Å; V1143-L1147 PolarHBondContact O-N 2.94Å |
| 1144 | L | 86.5 | Confident | 80.4 | Confident | 117 Ų | 117 | 84.7 Ų | 84.7 | 61% | 0.613 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -45.7 | 173.7 | -169.9 | 81 | 0 | 0 | 0 | 110.8 | G1140 G1141 A1146 L1147 V1148 | G1140-L1144 WeakPolarHBondContact O-CB 3.33Å; G1140-L1144 PolarHBondContact O-N 3.36Å; G1141-L1144 PolarHBondContact O-N 2.77Å; L1144-A1146 PolarHBondContact O-N 2.84Å; L1144-L1147 WeakPolarHBondContact O-CB 3.17Å; L1144-L1147 PolarHBondContact O-N 3.09Å; L1144-V1148 VanDerWaalsContact O-CG2 3.31Å; L1144-V1148 WeakPolarHBondContact O-CG2 3.44Å; L1144-V1148 PolarHBondContact O-N 3.48Å |
| 1145 | L | 85.1 | Confident | 80.6 | Confident | 106 Ų | 106 | 88 Ų | 88 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.1 | -44.8 | 176.1 | -168.4 | 87.3 | 0 | 0 | 0 | 111.2 | G1141 L1142 L1147 V1148 V1149 | G1141-L1145 WeakPolarHBondContact O-CB 3.29Å; G1141-L1145 PolarHBondContact O-N 3.39Å; L1142-L1145 PolarHBondContact O-N 2.89Å; L1145-L1147 VanDerWaalsContact C-N 3.34Å; L1145-L1147 PolarHBondContact O-N 2.74Å; L1145-V1148 PolarHBondContact O-N 3.29Å; L1145-V1149 WeakPolarHBondContact O-CB 3.24Å; L1145-V1149 VanDerWaalsContact O-CG2 3.27Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.4Å; L1145-V1149 PolarHBondContact O-N 2.95Å |
| 1146 | A | 82.4 | Confident | 79.9 | Confident | 62 Ų | 62 | 86.7 Ų | 86.7 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1142 V1143 L1144 G1150 | L1142-A1146 WeakPolarHBondContact O-CB 3.4Å; L1142-A1146 PolarHBondContact O-N 3.25Å; V1143-A1146 PolarHBondContact O-N 2.86Å; L1144-A1146 PolarHBondContact O-N 2.84Å; A1146-G1150 PolarHBondContact O-N 3.14Å |
| 1147 | L | 84.3 | Confident | 79.2 | Confident | 108 Ų | 108 | 92.2 Ų | 92.2 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 172.5 | -103.1 | 165.2 | 0 | 0 | 0 | 111.8 | V1143 L1144 L1145 G1150 L1151 | V1143-L1147 WeakPolarHBondContact O-CB 3.02Å; V1143-L1147 PolarHBondContact O-N 2.94Å; L1144-L1147 WeakPolarHBondContact O-CB 3.17Å; L1144-L1147 PolarHBondContact O-N 3.09Å; L1145-L1147 VanDerWaalsContact C-N 3.34Å; L1145-L1147 PolarHBondContact O-N 2.74Å; L1147-G1150 PolarHBondContact O-N 3.07Å; L1147-L1151 WeakPolarHBondContact O-CB 3.38Å; L1147-L1151 WeakPolarHBondContact O-CG 3.4Å; L1147-L1151 PolarHBondContact O-N 3.01Å |
| 1148 | V | 83.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 94.7 Ų | 94.7 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | L1144 L1145 G1150 L1151 L1152 | L1144-V1148 VanDerWaalsContact O-CG2 3.31Å; L1144-V1148 WeakPolarHBondContact O-CG2 3.44Å; L1144-V1148 PolarHBondContact O-N 3.48Å; L1145-V1148 PolarHBondContact O-N 3.29Å; V1148-G1150 VanDerWaalsContact C-N 3.34Å; V1148-G1150 PolarHBondContact O-N 3.21Å; V1148-L1151 PolarHBondContact O-N 2.86Å; V1148-L1152 HydrophobicContact CG1-CD1 3.85Å; V1148-L1152 HydrophobicContact CG1-CG 4.36Å; V1148-L1152 WeakPolarHBondContact O-CB 3.03Å; V1148-L1152 VanDerWaalsContact O-CG 3.26Å; V1148-L1152 WeakPolarHBondContact O-CG 3.24Å; V1148-L1152 PolarHBondContact O-N 3.42Å |
| 1149 | V | 80.3 | Confident | 77.3 | Confident | 71 Ų | 71 | 99.9 Ų | 99.9 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L1145 L1152 Y1153 | L1145-V1149 WeakPolarHBondContact O-CB 3.24Å; L1145-V1149 VanDerWaalsContact O-CG2 3.27Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.4Å; L1145-V1149 PolarHBondContact O-N 2.95Å; V1149-L1152 PolarHBondContact O-N 3.11Å; V1149-Y1153 VanDerWaalsContact O-CB 3.29Å; V1149-Y1153 WeakPolarHBondContact O-CB 3.1Å; V1149-Y1153 PolarHBondContact O-N 3.42Å |
| 1150 | G | 80.1 | Confident | 75.6 | Confident | 38 Ų | 38 | 106.1 Ų | 106.1 | 39% | 0.392 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.5 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1146 L1147 V1148 K1154 | A1146-G1150 PolarHBondContact O-N 3.14Å; L1147-G1150 PolarHBondContact O-N 3.07Å; V1148-G1150 VanDerWaalsContact C-N 3.34Å; V1148-G1150 PolarHBondContact O-N 3.21Å; G1150-K1154 WeakPolarHBondContact O-CB 3.38Å; G1150-K1154 PolarHBondContact O-N 2.77Å |
| 1151 | L | 80.6 | Confident | 73.5 | Confident | 88 Ų | 88 | 112.9 Ų | 112.9 | 46% | 0.461 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.4 | -49.6 | 172.1 | -78.4 | 164.7 | 0 | 0 | 0 | 110.9 | L1147 V1148 Y1153 K1154 F1155 | L1147-L1151 WeakPolarHBondContact O-CB 3.38Å; L1147-L1151 WeakPolarHBondContact O-CG 3.4Å; L1147-L1151 PolarHBondContact O-N 3.01Å; V1148-L1151 PolarHBondContact O-N 2.86Å; L1151-Y1153 VanDerWaalsContact C-N 3.29Å; L1151-Y1153 PolarHBondContact O-N 3.31Å; L1151-K1154 PolarHBondContact O-N 3.4Å; L1151-K1154 VanDerWaalsContact O-N 3.15Å; L1151-F1155 HydrophobicContact CB-CD2 4.45Å; L1151-F1155 HydrophobicContact CD2-CE2 3.94Å; L1151-F1155 WeakPolarHBondContact O-CD2 3.07Å; L1151-F1155 PolarHBondContact O-N 3.07Å |
| 1152 | L | 76.8 | Confident | 71.5 | Confident | 67 Ų | 67 | 120.7 Ų | 120.7 | 35% | 0.351 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.2 | -36.3 | 178.3 | -70.8 | 169.9 | 0 | 0 | 0 | 112.5 | V1148 V1149 G1156 F1157 F1158 | V1148-L1152 HydrophobicContact CG1-CD1 3.85Å; V1148-L1152 HydrophobicContact CG1-CG 4.36Å; V1148-L1152 WeakPolarHBondContact O-CB 3.03Å; V1148-L1152 VanDerWaalsContact O-CG 3.26Å; V1148-L1152 WeakPolarHBondContact O-CG 3.24Å; V1148-L1152 PolarHBondContact O-N 3.42Å; V1149-L1152 PolarHBondContact O-N 3.11Å; L1152-G1156 PolarHBondContact O-N 2.99Å; L1152-F1157 HydrophobicContact CB-CB 4.44Å; L1152-F1157 WeakPolarHBondContact O-CB 3.19Å; L1152-F1157 PolarHBondContact O-N 3.46Å; L1152-F1157 VanDerWaalsContact O-N 3.09Å; L1152-F1158 HydrophobicContact CB-CE2 4.03Å |
| 1153 | Y | 71.2 | Confident | 69.4 | Low | 153 Ų | 153 | 123.7 Ų | 123.7 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.7 | -44.1 | 173.3 | -175.3 | -94.4 | 0 | 0 | 0 | 111.9 | V1149 L1151 F1155 G1156 | V1149-Y1153 VanDerWaalsContact O-CB 3.29Å; V1149-Y1153 WeakPolarHBondContact O-CB 3.1Å; V1149-Y1153 PolarHBondContact O-N 3.42Å; L1151-Y1153 VanDerWaalsContact C-N 3.29Å; L1151-Y1153 PolarHBondContact O-N 3.31Å; Y1153-F1155 VanDerWaalsContact C-N 3.31Å; Y1153-F1155 PolarHBondContact O-N 3.38Å; Y1153-G1156 PolarHBondContact O-N 3.39Å; Y1153-G1156 VanDerWaalsContact O-N 3.07Å |
| 1154 | K | 75.6 | Confident | 67.5 | Low | 179 Ų | 179 | 128 Ų | 128 | 78% | 0.778 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.6 | -32.7 | 177.1 | -170.1 | 176.4 | -179.2 | 179.6 | 0 | 112.5 | G1150 L1151 G1156 | G1150-K1154 WeakPolarHBondContact O-CB 3.38Å; G1150-K1154 PolarHBondContact O-N 2.77Å; L1151-K1154 PolarHBondContact O-N 3.4Å; L1151-K1154 VanDerWaalsContact O-N 3.15Å; K1154-G1156 VanDerWaalsContact C-N 3.25Å; K1154-G1156 PolarHBondContact O-N 2.72Å |
| 1155 | F | 71.5 | Confident | 65.4 | Low | 167 Ų | 167 | 128.9 Ų | 128.9 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 7.5 | 173.1 | -71.3 | -66.2 | 0 | 0 | 0 | 113.9 | L1151 Y1153 F1157 | L1151-F1155 HydrophobicContact CB-CD2 4.45Å; L1151-F1155 HydrophobicContact CD2-CE2 3.94Å; L1151-F1155 WeakPolarHBondContact O-CD2 3.07Å; L1151-F1155 PolarHBondContact O-N 3.07Å; Y1153-F1155 VanDerWaalsContact C-N 3.31Å; Y1153-F1155 PolarHBondContact O-N 3.38Å; F1155-F1157 PolarHBondContact O-N 3.09Å |
| 1156 | G | 60.5 | Low | 63.3 | Low | 45 Ų | 45 | 132.9 Ų | 132.9 | 46% | 0.464 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 80.3 | 14.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1152 Y1153 K1154 F1158 | L1152-G1156 PolarHBondContact O-N 2.99Å; Y1153-G1156 PolarHBondContact O-N 3.39Å; Y1153-G1156 VanDerWaalsContact O-N 3.07Å; K1154-G1156 VanDerWaalsContact C-N 3.25Å; K1154-G1156 PolarHBondContact O-N 2.72Å; G1156-F1158 VanDerWaalsContact C-N 3.27Å; G1156-F1158 PolarHBondContact O-N 3.12Å |
| 1157 | F | 62.1 | Low | 61.2 | Low | 156 Ų | 156 | 138.8 Ų | 138.8 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -23.6 | -172.9 | -158.8 | -98.4 | 0 | 0 | 0 | 114.1 | L1152 F1155 | L1152-F1157 HydrophobicContact CB-CB 4.44Å; L1152-F1157 WeakPolarHBondContact O-CB 3.19Å; L1152-F1157 PolarHBondContact O-N 3.46Å; L1152-F1157 VanDerWaalsContact O-N 3.09Å; F1155-F1157 PolarHBondContact O-N 3.09Å |
| 1158 | F | 62 | Low | 59 | Low | 133 Ų | 133 | 142.9 Ų | 142.9 | 58% | 0.583 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 20.7 | -174.6 | -64.1 | -74.6 | 0 | 0 | 0 | 115.2 | L1152 G1156 | L1152-F1158 HydrophobicContact CB-CE2 4.03Å; G1156-F1158 VanDerWaalsContact C-N 3.27Å; G1156-F1158 PolarHBondContact O-N 3.12Å |
| 1159 | K | 54.1 | Low | 56.9 | Low | 163 Ų | 163 | 147.3 Ų | 147.3 | 71% | 0.709 | 69% | 0.688 | S | S | * | * | trans | -121.8 | 76.2 | 177.4 | -74.2 | -171.1 | 178.8 | 179 | 0 | 113.8 | ||||
| 1160 | R | 48.6 | Very low | 54.6 | Low | 228 Ų | 228 | 151.3 Ų | 151.3 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | 177.6 | 122.9 | 131.2 | -109.6 | 176.5 | 167.6 | 179.8 | -4.7 | 115.6 | ||||
| 1161 | K | 42.4 | Very low | 52.3 | Low | 182 Ų | 182 | 157.7 Ų | 157.7 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 45.5 | 107.1 | 138.7 | -68.6 | -173.7 | 174.7 | -169.4 | 0 | 120.5 | ||||
| 1162 | Y | 44 | Very low | 49.9 | Very low | 203 Ų | 203 | 159 Ų | 159 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | -123.8 | 50.6 | 152.3 | -133 | -91.1 | 0 | 0 | 0 | 110.6 | L1165 | Y1162-L1165 HydrophobicContact CE1-CB 4.46Å; Y1162-L1165 HydrophobicContact CE1-CD1 3.87Å | ||
| 1163 | H | 41.5 | Very low | 47.6 | Very low | 177 Ų | 177 | 163 Ų | 163 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | trans | -109.6 | 63.2 | 167.3 | -119.5 | -55.5 | 0 | 0 | 0 | 107.5 | ||||
| 1164 | Q | 44.5 | Very low | 45.7 | Very low | 178 Ų | 178 | 163.1 Ų | 163.1 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -171.8 | 85.4 | 170.4 | -109.7 | 178.3 | -5.2 | 0 | 0 | 106 | ||||
| 1165 | L | 43 | Very low | 43.5 | Very low | 134 Ų | 134 | 159.5 Ų | 159.5 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | -179.5 | 47 | 154.6 | -93 | 161.1 | 0 | 0 | 0 | 107.5 | Y1162 | Y1162-L1165 HydrophobicContact CE1-CB 4.46Å; Y1162-L1165 HydrophobicContact CE1-CD1 3.87Å | ||
| 1166 | Q | 41 | Very low | 41.6 | Very low | 190 Ų | 190 | 159 Ų | 159 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | trans | -121.5 | 46.9 | 167.6 | -148.6 | 178.6 | 24.5 | 0 | 0 | 107.6 | ||||
| 1167 | K | 38.7 | Very low | 40.2 | Very low | 186 Ų | 186 | 160.5 Ų | 160.5 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -146.4 | 129.9 | 168.1 | -97.4 | -171.4 | 172.4 | -173.4 | 0 | 105.6 | ||
| 1168 | E | 36.2 | Very low | 38.8 | Very low | 194 Ų | 194 | 161.3 Ų | 161.3 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | 90.1 | 49.5 | -169.7 | -58 | 175.6 | 176.1 | 0 | 0 | 114.6 | ||||
| 1169 | D | 39.5 | Very low | 37.5 | Very low | 162 Ų | 162 | 161 Ų | 161 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -104.7 | 88.4 | 138.7 | -98.3 | -27.9 | 0 | 0 | 0 | 105.2 | ||||
| 1170 | D | 32.7 | Very low | 37.1 | Very low | 154 Ų | 154 | 160.5 Ų | 160.5 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -168.9 | 120.2 | 151.4 | -96.6 | -22.9 | 0 | 0 | 0 | 109.1 | ||||
| 1171 | E | 30.9 | Very low | 36.4 | Very low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 77.4 | 117.3 | 157.6 | -63.9 | -168.9 | 156.2 | 0 | 0 | 120.1 | ||||
| 1172 | D | 30.5 | Very low | 36.7 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | trans | 66.4 | 129.8 | 131.7 | -81.7 | -5.2 | 0 | 0 | 0 | 116.7 | ||||
| 1173 | K | 29.4 | Very low | 36.7 | Very low | 151 Ų | 151 | 152 Ų | 152 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | cis | 174.6 | 153.2 | 41.8 | -123.9 | 165.6 | -172.9 | 111.9 | 0 | 107.9 | ||||
| 1174 | Q | 30.6 | Very low | 36.4 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 72.5 | 104.9 | 140 | -88.2 | 173.2 | -50.7 | 0 | 0 | 121.3 | ||||
| 1175 | T | 29.4 | Very low | 36 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 64% | 0.638 | 79% | 0.787 | S | S | * | * | 62.9 | 140.5 | 112.7 | 53.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1176 | D | 31.9 | Very low | 35.6 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 78.9 | 142 | 154.6 | -58 | -24.2 | 0 | 0 | 0 | 117.4 | ||||
| 1177 | A | 30.9 | Very low | 35.3 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | cis | 173.9 | 160.2 | -21.3 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1178 | H | 32.3 | Very low | 35.1 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | 70.8 | 148.1 | 163.5 | -90.8 | -31.9 | 0 | 0 | 0 | 118.2 | ||||
| 1179 | D | 35.4 | Very low | 35 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | cis | -157.6 | 170.1 | -12.7 | -150.4 | 15.5 | 0 | 0 | 0 | 107.8 | ||||
| 1180 | D | 44.9 | Very low | 34.7 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -47.7 | 158.4 | -177.3 | -77.2 | -39.2 | 0 | 0 | 0 | 119.6 | ||||
| 1181 | G | 34.7 | Very low | 34.9 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 178.4 | 66.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1182 | V | 49.1 | Very low | 35.2 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | trans | 3.6 | 132.6 | 138.4 | 176.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1183 | L | 43.3 | Very low | 35.6 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 100% | 1.215 | 78% | 0.775 | S | S | * | * | -162.1 | 0 | 63.8 | -135.3 | 156.9 | 0 | 0 | 0 | 111.7 |
Retrieved 1,183 of 1,183 residues in 236.7 ms
(Link to these results)