| 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 | 60.8 | Low | 87.2 | Confident | 204 Ų | 204 | 115.4 Ų | 115.4 | 100% | 1.005 | 61% | 0.614 | S | S | * | * | 0 | 101.5 | 0 | -71.6 | -57.1 | -168.4 | 0 | 0 | 108.2 | |||||
| 2 | D | 83.1 | Confident | 87.3 | Confident | 130 Ų | 130 | 113.2 Ų | 113.2 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | trans | -59.5 | 145.4 | -177.7 | -78.4 | -25.6 | 0 | 0 | 0 | 112.5 | A4 A5 K6 | D2-A4 PolarHBondContact O-N 3.07Å; D2-A5 WeakPolarHBondContact O-CB 3.42Å; D2-A5 PolarHBondContact O-N 3.43Å; D2-A5 VanDerWaalsContact O-N 3.08Å; D2-K6 PolarHBondContact O-N 3.28Å | ||
| 3 | L | 86.3 | Confident | 87.3 | Confident | 144 Ų | 144 | 110.3 Ų | 110.3 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.2 | -35.7 | 178.5 | -76.1 | 163.1 | 0 | 0 | 0 | 111.9 | A5 K6 D7 | L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 2.97Å; L3-K6 PolarHBondContact O-N 3.42Å; L3-D7 PolarHBondContact O-N 3.08Å |
| 4 | A | 88.9 | Confident | 87.1 | Confident | 78 Ų | 78 | 105.9 Ų | 105.9 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.8 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | D2 D7 S8 | D2-A4 PolarHBondContact O-N 3.07Å; A4-D7 PolarHBondContact O-N 3.3Å; A4-S8 WeakPolarHBondContact O-CB 3.46Å; A4-S8 PolarHBondContact O-N 2.99Å |
| 5 | A | 90.5 | Very high | 86.5 | Confident | 57 Ų | 57 | 103.5 Ų | 103.5 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.4 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D2 L3 Y9 | D2-A5 WeakPolarHBondContact O-CB 3.42Å; D2-A5 PolarHBondContact O-N 3.43Å; D2-A5 VanDerWaalsContact O-N 3.08Å; L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 2.97Å; A5-Y9 WeakPolarHBondContact O-CB 3.36Å; A5-Y9 PolarHBondContact O-N 3.22Å; A5-Y9 VanDerWaalsContact O-N 3.07Å |
| 6 | K | 89.9 | Confident | 86 | Confident | 112 Ų | 112 | 106.8 Ų | 106.8 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.5 | -40.8 | 175.2 | -65.5 | 176.8 | -177.2 | 174.2 | 0 | 111.7 | D2 L3 Y9 L10 | D2-K6 PolarHBondContact O-N 3.28Å; L3-K6 PolarHBondContact O-N 3.42Å; K6-Y9 PolarHBondContact O-N 2.98Å; K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.48Å; K6-L10 PolarHBondContact O-N 2.99Å |
| 7 | D | 91.5 | Very high | 85.4 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.4 | -41.8 | 179.7 | -164.5 | 45.6 | 0 | 0 | 0 | 111.8 | L3 A4 Y9 L10 Q11 | L3-D7 PolarHBondContact O-N 3.08Å; A4-D7 PolarHBondContact O-N 3.3Å; D7-Y9 VanDerWaalsContact C-N 3.32Å; D7-Y9 PolarHBondContact O-N 2.98Å; D7-L10 PolarHBondContact O-N 3.32Å; D7-Q11 PolarHBondContact O-N 3.43Å |
| 8 | S | 93.1 | Very high | 84.6 | Confident | 67 Ų | 67 | 105.7 Ų | 105.7 | 47% | 0.469 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -44 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | A4 L10 Q11 V12 | A4-S8 WeakPolarHBondContact O-CB 3.46Å; A4-S8 PolarHBondContact O-N 2.99Å; S8-L10 VanDerWaalsContact C-N 3.35Å; S8-L10 PolarHBondContact O-N 2.9Å; S8-Q11 PolarHBondContact O-N 3.18Å; S8-V12 VanDerWaalsContact O-CG2 3.29Å; S8-V12 WeakPolarHBondContact O-CG2 3.47Å; S8-V12 PolarHBondContact O-N 3.41Å |
| 9 | Y | 91.8 | Very high | 83.4 | Confident | 160 Ų | 160 | 104.5 Ų | 104.5 | 63% | 0.627 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.2 | -41.2 | 175.8 | 179.7 | -105.6 | 0 | 0 | 0 | 112.6 | A5 K6 D7 V12 L13 | A5-Y9 WeakPolarHBondContact O-CB 3.36Å; A5-Y9 PolarHBondContact O-N 3.22Å; A5-Y9 VanDerWaalsContact O-N 3.07Å; K6-Y9 PolarHBondContact O-N 2.98Å; D7-Y9 VanDerWaalsContact C-N 3.32Å; D7-Y9 PolarHBondContact O-N 2.98Å; Y9-V12 PolarHBondContact O-N 3.01Å; Y9-L13 HydrophobicContact CD1-CD1 3.85Å; Y9-L13 HydrophobicContact CE1-CD1 3.27Å; Y9-L13 HydrophobicContact CE2-CD1 4.24Å; Y9-L13 VanDerWaalsContact CZ-CD1 3.49Å; Y9-L13 WeakPolarHBondContact O-CB 3.29Å; Y9-L13 PolarHBondContact O-N 3.39Å |
| 10 | L | 92 | Very high | 82.2 | Confident | 105 Ų | 105 | 107.7 Ų | 107.7 | 55% | 0.55 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.4 | -38.3 | 177.5 | -72 | 171.6 | 0 | 0 | 0 | 112.5 | K6 D7 S8 L13 A14 | K6-L10 VanDerWaalsContact O-CG 3.31Å; K6-L10 WeakPolarHBondContact O-CG 3.48Å; K6-L10 PolarHBondContact O-N 2.99Å; D7-L10 PolarHBondContact O-N 3.32Å; S8-L10 VanDerWaalsContact C-N 3.35Å; S8-L10 PolarHBondContact O-N 2.9Å; L10-L13 WeakPolarHBondContact O-CB 3.47Å; L10-L13 PolarHBondContact O-N 2.88Å; L10-A14 WeakPolarHBondContact O-CB 3.4Å; L10-A14 PolarHBondContact O-N 3.17Å |
| 11 | Q | 91.1 | Very high | 80.9 | Confident | 123 Ų | 123 | 113.3 Ų | 113.3 | 58% | 0.575 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.9 | -39.4 | 174.5 | -75.4 | -177.6 | 3.7 | 0 | 0 | 112.3 | D7 S8 L13 A14 S15 | D7-Q11 PolarHBondContact O-N 3.43Å; S8-Q11 PolarHBondContact O-N 3.18Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; Q11-A14 PolarHBondContact O-N 3.45Å; Q11-S15 PolarHBondContact O-N 2.94Å; Q11-S15 PolarHBondContact O-OG 2.97Å |
| 12 | V | 88.4 | Confident | 80.4 | Confident | 89 Ų | 89 | 110.9 Ų | 110.9 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.5 | -38.9 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | S8 Y9 S15 K16 | S8-V12 VanDerWaalsContact O-CG2 3.29Å; S8-V12 WeakPolarHBondContact O-CG2 3.47Å; S8-V12 PolarHBondContact O-N 3.41Å; Y9-V12 PolarHBondContact O-N 3.01Å; V12-S15 WeakPolarHBondContact CA-OG 3.44Å; V12-S15 PolarHBondContact O-OG 3.34Å; V12-K16 WeakPolarHBondContact O-CB 3.31Å; V12-K16 PolarHBondContact O-N 3.35Å; V12-K16 VanDerWaalsContact O-N 3.17Å |
| 13 | L | 87.8 | Confident | 79.1 | Confident | 76 Ų | 76 | 112.2 Ų | 112.2 | 40% | 0.398 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.9 | -44.9 | 173.1 | -106.3 | 154.1 | 0 | 0 | 0 | 112.3 | Y9 L10 Q11 K16 V17 | Y9-L13 HydrophobicContact CD1-CD1 3.85Å; Y9-L13 HydrophobicContact CE1-CD1 3.27Å; Y9-L13 HydrophobicContact CE2-CD1 4.24Å; Y9-L13 VanDerWaalsContact CZ-CD1 3.49Å; Y9-L13 WeakPolarHBondContact O-CB 3.29Å; Y9-L13 PolarHBondContact O-N 3.39Å; L10-L13 WeakPolarHBondContact O-CB 3.47Å; L10-L13 PolarHBondContact O-N 2.88Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; L13-K16 PolarHBondContact O-N 3.49Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.12Å; L13-V17 VanDerWaalsContact O-N 3.12Å |
| 14 | A | 84.8 | Confident | 77.4 | Confident | 49 Ų | 49 | 110.7 Ų | 110.7 | 41% | 0.405 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -45 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 Q11 K16 V17 I18 | L10-A14 WeakPolarHBondContact O-CB 3.4Å; L10-A14 PolarHBondContact O-N 3.17Å; Q11-A14 PolarHBondContact O-N 3.45Å; A14-K16 VanDerWaalsContact C-N 3.32Å; A14-K16 PolarHBondContact O-N 3.04Å; A14-V17 PolarHBondContact O-N 3.23Å; A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.49Å; A14-I18 PolarHBondContact O-N 3.42Å |
| 15 | S | 78 | Confident | 75.8 | Confident | 69 Ų | 69 | 111.4 Ų | 111.4 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.6 | -37.5 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | Q11 V12 I18 S19 | Q11-S15 PolarHBondContact O-N 2.94Å; Q11-S15 PolarHBondContact O-OG 2.97Å; V12-S15 WeakPolarHBondContact CA-OG 3.44Å; V12-S15 PolarHBondContact O-OG 3.34Å; S15-I18 PolarHBondContact O-N 3.34Å; S15-S19 WeakPolarHBondContact O-CB 3.35Å; S15-S19 PolarHBondContact O-N 3.1Å |
| 16 | K | 78.6 | Confident | 74 | Confident | 156 Ų | 156 | 118.7 Ų | 118.7 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -40 | 176.1 | -155.3 | 75.4 | 172.7 | -177.3 | 0 | 112.7 | V12 L13 A14 Q20 | V12-K16 WeakPolarHBondContact O-CB 3.31Å; V12-K16 PolarHBondContact O-N 3.35Å; V12-K16 VanDerWaalsContact O-N 3.17Å; L13-K16 PolarHBondContact O-N 3.49Å; A14-K16 VanDerWaalsContact C-N 3.32Å; A14-K16 PolarHBondContact O-N 3.04Å; K16-Q20 PolarHBondContact O-N 3.28Å |
| 17 | V | 75 | Confident | 72.6 | Confident | 91 Ų | 91 | 123.4 Ų | 123.4 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73 | -35.4 | -179.9 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | L13 A14 | L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.12Å; L13-V17 VanDerWaalsContact O-N 3.12Å; A14-V17 PolarHBondContact O-N 3.23Å |
| 18 | I | 71.1 | Confident | 70.9 | Confident | 104 Ų | 104 | 123.2 Ų | 123.2 | 53% | 0.533 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.5 | -44.9 | 177.4 | -65.9 | 163.5 | 0 | 0 | 0 | 110.4 | A14 S15 Q20 R21 | A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.49Å; A14-I18 PolarHBondContact O-N 3.42Å; S15-I18 PolarHBondContact O-N 3.34Å; I18-Q20 VanDerWaalsContact C-N 3.28Å; I18-Q20 PolarHBondContact O-N 3.27Å; I18-R21 PolarHBondContact O-N 3.03Å; I18-R21 VanDerWaalsContact O-N 3.1Å |
| 19 | S | 61.1 | Low | 69.4 | Low | 83 Ų | 83 | 128.3 Ų | 128.3 | 58% | 0.58 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60 | -34.2 | 176.2 | 165.3 | 0 | 0 | 0 | 0 | 113.1 | S15 R21 | S15-S19 WeakPolarHBondContact O-CB 3.35Å; S15-S19 PolarHBondContact O-N 3.1Å; S19-R21 PolarHBondContact O-N 3.3Å |
| 20 | Q | 59.7 | Low | 67.8 | Low | 168 Ų | 168 | 126.7 Ų | 126.7 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -15.6 | 178.8 | -128.2 | -179.9 | 7.6 | 0 | 0 | 114 | K16 I18 | K16-Q20 PolarHBondContact O-N 3.28Å; I18-Q20 VanDerWaalsContact C-N 3.28Å; I18-Q20 PolarHBondContact O-N 3.27Å |
| 21 | R | 55.2 | Low | 65.8 | Low | 226 Ų | 226 | 128.6 Ų | 128.6 | 85% | 0.853 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -16.6 | -174.3 | -150.3 | 174.4 | -170.5 | 172 | 2.9 | 113.5 | I18 S19 | I18-R21 PolarHBondContact O-N 3.03Å; I18-R21 VanDerWaalsContact O-N 3.1Å; S19-R21 PolarHBondContact O-N 3.3Å |
| 22 | E | 50.8 | Low | 63.7 | Low | 152 Ų | 152 | 132.1 Ų | 132.1 | 71% | 0.71 | 67% | 0.668 | S | S | * | * | trans | -97.5 | 4.2 | -172.1 | -70 | -166 | 166.6 | 0 | 0 | 115.2 | P24 | E22-P24 WeakPolarHBondContact O-CD 3.03Š| ||
| 23 | E | 55.3 | Low | 61.7 | Low | 159 Ų | 159 | 136.8 Ų | 136.8 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | trans | -78.3 | 110.1 | 164.7 | -72.6 | -153.9 | 168.9 | 0 | 0 | 110.2 | T25 | E23-T25 VanDerWaalsContact C-N 3.25Å; E23-T25 PolarHBondContact O-N 2.81Å | ||
| 24 | P | 50.3 | Low | 59.4 | Low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | trans | -71.2 | 89.8 | 170.6 | 31.6 | -33.4 | 0 | 0 | 0 | 107.4 | E22 K26 | E22-P24 WeakPolarHBondContact O-CD 3.03Å; P24-K26 PolarHBondContact O-N 2.94Å | ||
| 25 | T | 55.9 | Low | 57.5 | Low | 93 Ų | 93 | 142.9 Ų | 142.9 | 57% | 0.571 | 71% | 0.707 | S | S | * | * | trans | -55.1 | 108.3 | 165.7 | 58.3 | 0 | 0 | 0 | 0 | 107.2 | E23 R27 | E23-T25 VanDerWaalsContact C-N 3.25Å; E23-T25 PolarHBondContact O-N 2.81Å; T25-R27 PolarHBondContact O-N 2.85Å | ||
| 26 | K | 53.9 | Low | 55.6 | Low | 210 Ų | 210 | 143.5 Ų | 143.5 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | trans | -68.9 | 64.4 | 172.4 | -67.5 | 178.7 | -177.3 | 173.8 | 0 | 108.7 | P24 | P24-K26 PolarHBondContact O-N 2.94Š| ||
| 27 | R | 59.7 | Low | 54 | Low | 211 Ų | 211 | 144.2 Ų | 144.2 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -83.4 | 113.2 | 169 | -71.8 | -178.4 | 178.6 | 178.1 | 2.1 | 106.6 | T25 F29 | T25-R27 PolarHBondContact O-N 2.85Å; R27-F29 PolarHBondContact O-N 3.26Å | ||
| 28 | A | 55.3 | Low | 52.5 | Low | 86 Ų | 86 | 145.2 Ų | 145.2 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -52.5 | 131.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V30 | A28-V30 PolarHBondContact O-N 2.93Š| ||
| 29 | F | 60.8 | Low | 50.8 | Low | 173 Ų | 173 | 147.8 Ų | 147.8 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -62.2 | 98 | 176.2 | 179.7 | -100.8 | 0 | 0 | 0 | 109.4 | R27 | R27-F29 PolarHBondContact O-N 3.26Š| ||
| 30 | V | 59.1 | Low | 49.9 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -79.5 | 123.3 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | A28 F32 | A28-V30 PolarHBondContact O-N 2.93Å; V30-F32 PolarHBondContact O-N 3.38Å | ||
| 31 | H | 50.7 | Low | 48.9 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | trans | -66.7 | 122.2 | 178 | -59.7 | 63.5 | 0 | 0 | 0 | 108.4 | K33 | H31-K33 PolarHBondContact O-N 3.4Š| ||
| 32 | F | 47.2 | Very low | 47.9 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -59.5 | 99.9 | 171.6 | -175.3 | -100.2 | 0 | 0 | 0 | 109.3 | V30 G34 | V30-F32 PolarHBondContact O-N 3.38Å; F32-G34 PolarHBondContact O-N 3.19Å | ||
| 33 | K | 45.8 | Very low | 47.2 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | trans | -73.7 | 73.6 | 168.5 | -95.3 | -84.6 | -172.7 | 172.9 | 0 | 108.2 | H31 K35 | H31-K33 PolarHBondContact O-N 3.4Å; K33-K35 PolarHBondContact O-N 3.46Å | ||
| 34 | G | 38.4 | Very low | 46.3 | Very low | 40 Ų | 40 | 145.9 Ų | 145.9 | 41% | 0.412 | 76% | 0.761 | S | S | . | * | trans | -56.1 | 127.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | F32 S36 | F32-G34 PolarHBondContact O-N 3.19Å; G34-S36 PolarHBondContact O-N 2.86Å | ||
| 35 | K | 45.4 | Very low | 45.8 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | trans | -51.1 | 102.5 | 175.8 | -69.5 | 167.2 | 177.4 | 174.9 | 0 | 108.9 | K33 | K33-K35 PolarHBondContact O-N 3.46Š| ||
| 36 | S | 38.3 | Very low | 44.7 | Very low | 83 Ų | 83 | 155.9 Ų | 155.9 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | trans | -77.8 | 116.4 | 164 | 53 | 0 | 0 | 0 | 0 | 107 | G34 T38 | G34-S36 PolarHBondContact O-N 2.86Å; S36-T38 PolarHBondContact O-N 3.29Å | ||
| 37 | D | 44.3 | Very low | 44 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -58.2 | 75.4 | 162.8 | -82 | -47 | 0 | 0 | 0 | 109.9 | ||
| 38 | T | 44.9 | Very low | 42.9 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -153.7 | 49 | 177.5 | -20 | 0 | 0 | 0 | 0 | 111.2 | S36 | S36-T38 PolarHBondContact O-N 3.29Š| ||
| 39 | D | 34.9 | Very low | 41.8 | Very low | 159 Ų | 159 | 157 Ų | 157 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 135.2 | 152.7 | -82.8 | -38.3 | 0 | 0 | 0 | 110.2 | ||
| 40 | P | 43 | Very low | 40.6 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 136.9 | -178.4 | 28.6 | -31.5 | 0 | 0 | 0 | 110.7 | S42 | P40-S42 PolarHBondContact O-N 2.93Š|
| 41 | P | 37.2 | Very low | 39.4 | Very low | 126 Ų | 126 | 161.9 Ų | 161.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 128.3 | 177.8 | 25.6 | -32.1 | 0 | 0 | 0 | 110.7 | ||
| 42 | S | 35.3 | Very low | 38.5 | Very low | 104 Ų | 104 | 162.1 Ų | 162.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -40.3 | 132.3 | 172.7 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | P40 K44 | P40-S42 PolarHBondContact O-N 2.93Å; S42-K44 PolarHBondContact O-N 3.22Å | ||
| 43 | K | 35.9 | Very low | 37.7 | Very low | 213 Ų | 213 | 160.1 Ų | 160.1 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -60 | 101.3 | 177.6 | -66 | 171.3 | -178.3 | 168 | 0 | 111.4 | ||||
| 44 | K | 35.5 | Very low | 37 | Very low | 194 Ų | 194 | 160.5 Ų | 160.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -83 | 116.2 | 155.5 | -76.6 | -170.5 | 177.2 | -177.1 | 0 | 109.1 | S42 K46 | S42-K44 PolarHBondContact O-N 3.22Å; K44-K46 PolarHBondContact O-N 3.42Å | ||
| 45 | K | 40 | Very low | 36.8 | Very low | 213 Ų | 213 | 167 Ų | 167 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -53.1 | 117.4 | 172.9 | -71.1 | -178.6 | 176.4 | 176.8 | 0 | 109.6 | ||||
| 46 | K | 34 | Very low | 36 | Very low | 201 Ų | 201 | 165 Ų | 165 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -109.6 | 120.2 | 162.8 | -80.5 | -169.3 | 174.6 | -177.4 | 0 | 108.8 | K44 | K44-K46 PolarHBondContact O-N 3.42Š| ||
| 47 | K | 38.6 | Very low | 35.6 | Very low | 201 Ų | 201 | 164.4 Ų | 164.4 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 136.7 | 170.1 | -65.8 | -175.6 | 175.5 | -177.1 | 0 | 109.6 | ||
| 48 | P | 35.9 | Very low | 34.9 | Very low | 129 Ų | 129 | 162.4 Ų | 162.4 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 124.5 | 173.5 | 28.7 | -30.4 | 0 | 0 | 0 | 110.8 | ||
| 49 | K | 32.8 | Very low | 34.2 | Very low | 201 Ų | 201 | 164 Ų | 164 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 125.4 | 161.6 | -75.4 | -171.6 | 172.7 | -170.4 | 0 | 108.3 | ||
| 50 | K | 34.9 | Very low | 34.1 | Very low | 198 Ų | 198 | 165.9 Ų | 165.9 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.8 | 168.9 | -74.3 | -179.7 | 174.2 | -178.6 | 0 | 109.4 | ||
| 51 | K | 34.4 | Very low | 33.5 | Very low | 205 Ų | 205 | 167.1 Ų | 167.1 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -110.3 | 115.7 | 160.3 | -77.3 | -170.9 | 175.2 | -171.1 | 0 | 106.5 | ||||
| 52 | N | 31.6 | Very low | 33.4 | Very low | 149 Ų | 149 | 167.2 Ų | 167.2 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76 | 128.7 | 170.9 | -70 | -36.4 | 0 | 0 | 0 | 108.4 | ||
| 53 | L | 31.2 | Very low | 33.2 | Very low | 155 Ų | 155 | 171.6 Ų | 171.6 | 81% | 0.812 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 119.4 | 162.2 | -172.4 | 68.2 | 0 | 0 | 0 | 105.2 | ||
| 54 | K | 31.6 | Very low | 33.5 | Very low | 195 Ų | 195 | 166.3 Ų | 166.3 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 118.9 | 168.2 | -84.3 | -169.2 | 172.4 | -169.9 | 0 | 107 | ||
| 55 | E | 33.7 | Very low | 33.4 | Very low | 178 Ų | 178 | 166.4 Ų | 166.4 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -105.5 | 146.7 | 154.9 | -81.1 | 179.3 | 159.3 | 0 | 0 | 107.6 | ||||
| 56 | N | 28.4 | Very low | 33 | Very low | 169 Ų | 169 | 164.6 Ų | 164.6 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | -84.5 | 146.4 | -176.5 | -68.2 | -36 | 0 | 0 | 0 | 111.1 | ||||
| 57 | G | 29.1 | Very low | 32.8 | Very low | 71 Ų | 71 | 164.4 Ų | 164.4 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | 175.2 | 93.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 58 | T | 29.6 | Very low | 32.7 | Very low | 127 Ų | 127 | 160.6 Ų | 160.6 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | trans | 24.8 | 129.3 | 151 | 49.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 59 | D | 31.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 161.9 Ų | 161.9 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | trans | 85.5 | 131.6 | 136.5 | -61.2 | -17.4 | 0 | 0 | 0 | 124.7 | ||||
| 60 | K | 32 | Very low | 32.8 | Very low | 200 Ų | 200 | 158.5 Ų | 158.5 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | 89.3 | 112.5 | 157.1 | -47.2 | -159.9 | -179.4 | -179.4 | 0 | 120.3 | ||||
| 61 | T | 30.7 | Very low | 32.8 | Very low | 135 Ų | 135 | 154.9 Ų | 154.9 | 83% | 0.828 | 83% | 0.825 | S | S | * | * | trans | -62.2 | 157.1 | 154.1 | 14.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 62 | P | 35.5 | Very low | 33.1 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | -143.9 | 173.2 | 63.5 | 32.3 | -8.8 | 0 | 0 | 0 | 117.6 | |||||
| 63 | K | 31.1 | Very low | 33.1 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -79.9 | -173.4 | 174.9 | -120.1 | -176.7 | 176.9 | 172.2 | 0 | 111.4 | ||||
| 64 | P | 41.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 66% | 0.662 | 82% | 0.824 | S | S | * | * | cis | -133.7 | 174.9 | -27.5 | 34.6 | -16.6 | 0 | 0 | 0 | 113.3 | ||||
| 65 | Q | 32.9 | Very low | 33.6 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -178.9 | 157.8 | 134.1 | -100.2 | 173.1 | -3.2 | 0 | 0 | 114.1 | ||||
| 66 | Q | 33.2 | Very low | 33.5 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -108.8 | 144.4 | -151.2 | -69.3 | 166.4 | -43 | 0 | 0 | 115.1 | ||||
| 67 | K | 29.2 | Very low | 33.6 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | 57.6 | 167.7 | 142 | -68.1 | -169.5 | -177.7 | -177.2 | 0 | 120.6 | ||||
| 68 | P | 36.4 | Very low | 34.2 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | cis | -130.6 | 177 | -7.8 | 20.3 | 5.4 | 0 | 0 | 0 | 116.3 | ||||
| 69 | N | 32.2 | Very low | 34.2 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -67.4 | 164.9 | 177.1 | -61.4 | -31.9 | 0 | 0 | 0 | 115.5 | ||||
| 70 | P | 38.6 | Very low | 34.1 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -104.2 | 136 | 149.7 | 33.2 | -23.2 | 0 | 0 | 0 | 112.6 | ||||
| 71 | S | 35.8 | Very low | 34 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -92.6 | 174.9 | 175.5 | -118.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 72 | P | 39.5 | Very low | 34.1 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | -112.3 | 156.4 | -138.7 | 33.3 | -15.8 | 0 | 0 | 0 | 114.3 | ||||
| 73 | A | 31.2 | Very low | 34.5 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 126.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 74 | A | 32.8 | Very low | 34.5 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -85.2 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 75 | P | 40.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 82% | 0.816 | S | S | * | * | trans | -124 | 171.9 | -143.7 | 44 | -31.7 | 0 | 0 | 0 | 116.6 | ||||
| 76 | K | 31.2 | Very low | 34.1 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | 61.6 | 148 | 150.4 | -71.4 | 172.2 | -175.5 | -173.4 | 0 | 117.3 | ||||
| 77 | S | 32.1 | Very low | 34 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | cis | -176.5 | -154.9 | 6.4 | 45.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 78 | P | 41.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | -128.4 | 168.4 | -68.1 | 33.6 | -15.3 | 0 | 0 | 0 | 115 | |||||
| 79 | G | 28.6 | Very low | 34.1 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 110.4 | 135.5 | 133.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 80 | K | 30.2 | Very low | 34.1 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | 67.2 | 145.7 | 154.3 | -72.7 | 177.8 | 175 | 177.9 | 0 | 116.9 | ||||
| 81 | T | 30.4 | Very low | 34 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | -167.1 | 160 | 13.2 | 10.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 82 | K | 33 | Very low | 34 | Very low | 202 Ų | 202 | 139 Ų | 139 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -72.9 | -167.6 | 175.1 | -63.1 | 176.6 | 166.5 | 178.2 | 0 | 112.3 | ||||
| 83 | P | 42.9 | Very low | 33.8 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | -120.1 | 160.4 | -87.5 | 36.2 | -18.2 | 0 | 0 | 0 | 112.1 | |||||
| 84 | T | 30.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -110.5 | 124.6 | 173.3 | -64 | 0 | 0 | 0 | 0 | 112 | ||||
| 85 | T | 29.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -60.6 | 138.5 | 169.3 | 28.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 86 | Q | 36.7 | Very low | 34.6 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -150.7 | 106.6 | 136.5 | -63.3 | -171.7 | -1.7 | 0 | 0 | 104.5 | ||||
| 87 | S | 31.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 146.4 Ų | 146.4 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | 56.8 | 85.5 | 54.3 | -162 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 88 | V | 31.7 | Very low | 35.6 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -138 | 107.8 | 137.2 | -165 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 89 | N | 35.2 | Very low | 36.3 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -76 | 132.7 | 173.9 | -75.9 | -27.9 | 0 | 0 | 0 | 109.5 | ||||
| 90 | R | 32.5 | Very low | 37.6 | Very low | 244 Ų | 244 | 151.4 Ų | 151.4 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -116.1 | 112.9 | 148.9 | -159.6 | 174.7 | -173.9 | -178.2 | 1.8 | 107.6 | ||||
| 91 | S | 35.7 | Very low | 39 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -53.1 | 128.7 | 176.4 | 38.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 92 | T | 36 | Very low | 41.1 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -139.7 | 141.3 | 145.2 | 38 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 93 | L | 35.5 | Very low | 43.2 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -63.3 | 149.7 | -159 | -71.7 | 79.6 | 0 | 0 | 0 | 114.3 | T95 | L93-T95 PolarHBondContact O-N 2.87Š| ||
| 94 | H | 37.1 | Very low | 45.2 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 91% | 0.912 | 76% | 0.76 | S | S | * | * | trans | -69.3 | 118.2 | 160.7 | -74.9 | -80.8 | 0 | 0 | 0 | 110.1 | ||||
| 95 | T | 37.3 | Very low | 48 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 64% | 0.638 | 74% | 0.738 | S | S | * | * | trans | -113.9 | 145.9 | 151.9 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | L93 K97 | L93-T95 PolarHBondContact O-N 2.87Å; T95-K97 PolarHBondContact O-N 3.26Å | ||
| 96 | P | 47.5 | Very low | 50.7 | Low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 105.8 | -174.1 | 29.7 | -31.2 | 0 | 0 | 0 | 108.1 | E98 | P96-E98 PolarHBondContact O-N 2.97Å; P96-E98 VanDerWaalsContact O-N 3.11Å | ||
| 97 | K | 42 | Very low | 53.2 | Low | 195 Ų | 195 | 130.9 Ų | 130.9 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | trans | -80.4 | 98.7 | 170.7 | -78.1 | -175 | -179.3 | 177.1 | 0 | 107.4 | T95 | T95-K97 PolarHBondContact O-N 3.26Š| ||
| 98 | E | 41.9 | Very low | 56 | Low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -33.4 | 140.2 | 160 | -57.7 | -163.1 | 162.4 | 0 | 0 | 111.2 | P96 S100 | P96-E98 PolarHBondContact O-N 2.97Å; P96-E98 VanDerWaalsContact O-N 3.11Å; E98-S100 PolarHBondContact O-N 3.33Å | ||
| 99 | T | 56.6 | Low | 58.8 | Low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -55.8 | 81.3 | 174.9 | 48 | 0 | 0 | 0 | 0 | 110.6 | F101 | T99-F101 VanDerWaalsContact C-N 3.31Å; T99-F101 PolarHBondContact O-N 3.44Å | ||
| 100 | S | 55.3 | Low | 61.6 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -70.7 | 98.1 | 165.5 | 64.4 | 0 | 0 | 0 | 0 | 105.8 | E98 S102 | E98-S100 PolarHBondContact O-N 3.33Å; S100-S102 PolarHBondContact O-N 3.2Å | ||
| 101 | F | 59.8 | Low | 64.4 | Low | 176 Ų | 176 | 128.1 Ų | 128.1 | 77% | 0.772 | 67% | 0.671 | S | S | * | * | trans | -57.6 | 86.2 | 163.1 | -84.3 | -92.9 | 0 | 0 | 0 | 107.3 | T99 T103 | T99-F101 VanDerWaalsContact C-N 3.31Å; T99-F101 PolarHBondContact O-N 3.44Å; F101-T103 PolarHBondContact O-N 3.19Å; F101-T103 VanDerWaalsContact O-N 3.17Å | ||
| 102 | S | 75.4 | Confident | 66.9 | Low | 41 Ų | 41 | 128.6 Ų | 128.6 | 29% | 0.287 | 66% | 0.661 | S | S | . | * | trans | -66 | 120.8 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 106.5 | S100 V104 D105 V106 | S100-S102 PolarHBondContact O-N 3.2Å; S102-V104 PolarHBondContact O-N 2.98Å; S102-V104 WeakPolarHBondContact OG-CB 3.5Å; S102-V104 PolarHBondContact OG-N 3.13Å; S102-D105 WeakPolarHBondContact CB-OD2 3.42Å; S102-D105 PolarHBondContact O-N 3.27Å; S102-V106 PolarHBondContact O-N 3.28Å | ||
| 103 | T | 76.1 | Confident | 69.5 | Low | 116 Ų | 116 | 127.6 Ų | 127.6 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -50.7 | -28.8 | 172.1 | 48.3 | 0 | 0 | 0 | 0 | 111.3 | F101 L107 | F101-T103 PolarHBondContact O-N 3.19Å; F101-T103 VanDerWaalsContact O-N 3.17Å; T103-L107 WeakPolarHBondContact O-CB 3.45Å; T103-L107 PolarHBondContact O-N 3.34Å |
| 104 | V | 85.4 | Confident | 72 | Confident | 70 Ų | 70 | 126 Ų | 126 | 42% | 0.424 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.3 | -39.9 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | S102 L107 R108 | S102-V104 PolarHBondContact O-N 2.98Å; S102-V104 WeakPolarHBondContact OG-CB 3.5Å; S102-V104 PolarHBondContact OG-N 3.13Å; V104-L107 PolarHBondContact O-N 3.15Å; V104-R108 HydrophobicContact CG1-CG 4.49Å; V104-R108 WeakPolarHBondContact O-CB 3.27Å; V104-R108 VanDerWaalsContact O-CG 3.25Å; V104-R108 WeakPolarHBondContact O-CG 3.49Å; V104-R108 PolarHBondContact O-N 2.65Å |
| 105 | D | 87.9 | Confident | 74.2 | Confident | 80 Ų | 80 | 119.7 Ų | 119.7 | 43% | 0.428 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.9 | -35.9 | 179.9 | -68 | -32.6 | 0 | 0 | 0 | 111.8 | S102 L107 R108 K109 | S102-D105 WeakPolarHBondContact CB-OD2 3.42Å; S102-D105 PolarHBondContact O-N 3.27Å; D105-L107 VanDerWaalsContact C-N 3.31Å; D105-R108 PolarHBondContact O-N 3.36Å; D105-K109 WeakPolarHBondContact O-CB 3.49Å; D105-K109 VanDerWaalsContact O-CG 3.31Å; D105-K109 WeakPolarHBondContact O-CG 3.43Å; D105-K109 PolarHBondContact O-N 2.85Å |
| 106 | V | 87.4 | Confident | 76.3 | Confident | 78 Ų | 78 | 121.2 Ų | 121.2 | 47% | 0.473 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.2 | -42 | 169.9 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | S102 K109 R110 | S102-V106 PolarHBondContact O-N 3.28Å; V106-K109 PolarHBondContact O-N 2.97Å; V106-R110 VanDerWaalsContact O-CB 3.29Å; V106-R110 WeakPolarHBondContact O-CB 3.49Å; V106-R110 PolarHBondContact O-N 2.72Å |
| 107 | L | 89.5 | Confident | 77.8 | Confident | 120 Ų | 120 | 120.3 Ų | 120.3 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.2 | -39.2 | 177.2 | -170 | 65.6 | 0 | 0 | 0 | 112.4 | T103 V104 D105 R110 L111 | T103-L107 WeakPolarHBondContact O-CB 3.45Å; T103-L107 PolarHBondContact O-N 3.34Å; V104-L107 PolarHBondContact O-N 3.15Å; D105-L107 VanDerWaalsContact C-N 3.31Å; L107-R110 PolarHBondContact O-N 3.37Å; L107-L111 VanDerWaalsContact O-CB 3.23Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 PolarHBondContact O-N 3.43Å |
| 108 | R | 90.2 | Very high | 79.3 | Confident | 153 Ų | 153 | 114.4 Ų | 114.4 | 58% | 0.577 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.2 | -44.2 | 174.7 | -75.8 | 172.6 | -178.6 | -146.8 | 2.8 | 111.5 | V104 D105 L111 H112 | V104-R108 HydrophobicContact CG1-CG 4.49Å; V104-R108 WeakPolarHBondContact O-CB 3.27Å; V104-R108 VanDerWaalsContact O-CG 3.25Å; V104-R108 WeakPolarHBondContact O-CG 3.49Å; V104-R108 PolarHBondContact O-N 2.65Å; D105-R108 PolarHBondContact O-N 3.36Å; R108-L111 PolarHBondContact O-N 3.37Å; R108-H112 PolarHBondContact O-N 3.23Å |
| 109 | K | 91.4 | Very high | 80.7 | Confident | 153 Ų | 153 | 114.6 Ų | 114.6 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.1 | -48 | 174.9 | -73.6 | 177.9 | -179.9 | -177.1 | 0 | 111.3 | D105 V106 L111 H112 E113 | D105-K109 WeakPolarHBondContact O-CB 3.49Å; D105-K109 VanDerWaalsContact O-CG 3.31Å; D105-K109 WeakPolarHBondContact O-CG 3.43Å; D105-K109 PolarHBondContact O-N 2.85Å; V106-K109 PolarHBondContact O-N 2.97Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 2.89Å; K109-H112 PolarHBondContact O-N 3.46Å; K109-E113 WeakPolarHBondContact O-CB 3.45Å; K109-E113 PolarHBondContact O-N 3.29Å |
| 110 | R | 92.1 | Very high | 80.7 | Confident | 178 Ų | 178 | 111.9 Ų | 111.9 | 67% | 0.672 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -33.7 | 178 | -155.6 | 176 | -166.9 | 167.2 | 4.5 | 112.6 | V106 L107 K114 | V106-R110 VanDerWaalsContact O-CB 3.29Å; V106-R110 WeakPolarHBondContact O-CB 3.49Å; V106-R110 PolarHBondContact O-N 2.72Å; L107-R110 PolarHBondContact O-N 3.37Å; R110-K114 WeakPolarHBondContact O-CB 3.46Å; R110-K114 PolarHBondContact O-N 3.08Å |
| 111 | L | 92.4 | Very high | 80.9 | Confident | 96 Ų | 96 | 115.5 Ų | 115.5 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.2 | -45.7 | 173.9 | 178.1 | 65.6 | 0 | 0 | 0 | 111.3 | L107 R108 K109 K114 I115 | L107-L111 VanDerWaalsContact O-CB 3.23Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 PolarHBondContact O-N 3.43Å; R108-L111 PolarHBondContact O-N 3.37Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 2.89Å; L111-K114 PolarHBondContact O-N 2.82Å; L111-I115 HydrophobicContact CD1-CD1 4.08Å; L111-I115 HydrophobicContact CD1-CG1 4.38Å; L111-I115 HydrophobicContact CG-CD1 3.87Å; L111-I115 WeakPolarHBondContact O-CB 3.5Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.47Å |
| 112 | H | 88.6 | Confident | 81 | Confident | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.546 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -43.8 | 177.2 | -70.7 | 171.2 | 0 | 0 | 0 | 111.7 | R108 K109 K114 I115 E116 | R108-H112 PolarHBondContact O-N 3.23Å; K109-H112 PolarHBondContact O-N 3.46Å; H112-K114 PolarHBondContact O-N 2.85Å; H112-I115 PolarHBondContact O-N 2.86Å; H112-E116 PolarHBondContact O-N 3.01Å |
| 113 | E | 90.3 | Very high | 80.3 | Confident | 115 Ų | 115 | 111.7 Ų | 111.7 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59 | -45.8 | 173.5 | -171.5 | 176.3 | -158.1 | 0 | 0 | 111.4 | K109 I115 E116 E117 | K109-E113 WeakPolarHBondContact O-CB 3.45Å; K109-E113 PolarHBondContact O-N 3.29Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.31Å; E113-E116 PolarHBondContact O-N 3.23Å; E113-E117 WeakPolarHBondContact O-CB 3.43Å; E113-E117 WeakPolarHBondContact O-CG 3.46Å; E113-E117 PolarHBondContact O-N 3.41Å |
| 114 | K | 88.4 | Confident | 79.3 | Confident | 131 Ų | 131 | 110.8 Ų | 110.8 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -37.8 | 175.3 | -155.1 | 78.9 | -153.8 | 146.5 | 0 | 113 | R110 L111 H112 E117 S118 | R110-K114 WeakPolarHBondContact O-CB 3.46Å; R110-K114 PolarHBondContact O-N 3.08Å; L111-K114 PolarHBondContact O-N 2.82Å; H112-K114 PolarHBondContact O-N 2.85Å; K114-E117 IonicContact NZ-OE2 2.71Å; K114-E117 PolarHBondContact NZ-OE2 3.21Å; K114-S118 WeakPolarHBondContact O-CB 3.2Å; K114-S118 PolarHBondContact O-N 2.91Å; K114-S118 PolarHBondContact O-OG 3.05Å |
| 115 | I | 81.7 | Confident | 78 | Confident | 64 Ų | 64 | 115.8 Ų | 115.8 | 33% | 0.328 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.8 | -42.9 | 177.8 | -71.8 | 166.5 | 0 | 0 | 0 | 109.9 | L111 H112 E113 S118 R119 | L111-I115 HydrophobicContact CD1-CD1 4.08Å; L111-I115 HydrophobicContact CD1-CG1 4.38Å; L111-I115 HydrophobicContact CG-CD1 3.87Å; L111-I115 WeakPolarHBondContact O-CB 3.5Å; L111-I115 WeakPolarHBondContact O-CG1 3.46Å; L111-I115 PolarHBondContact O-N 3.47Å; H112-I115 PolarHBondContact O-N 2.86Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.31Å; I115-S118 PolarHBondContact O-N 2.88Å; I115-S118 PolarHBondContact O-OG 2.77Å; I115-R119 WeakPolarHBondContact O-CG 3.39Å; I115-R119 PolarHBondContact O-N 2.99Å |
| 116 | E | 81.7 | Confident | 76.7 | Confident | 136 Ų | 136 | 117.5 Ų | 117.5 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.1 | -43.4 | 177.6 | -75.6 | -176.2 | 165.6 | 0 | 0 | 112.9 | H112 E113 S118 R119 G120 | H112-E116 PolarHBondContact O-N 3.01Å; E113-E116 PolarHBondContact O-N 3.23Å; E116-S118 PolarHBondContact O-N 3.34Å; E116-R119 WeakPolarHBondContact O-CB 3.25Å; E116-R119 PolarHBondContact O-N 2.93Å; E116-G120 PolarHBondContact O-N 2.86Å |
| 117 | E | 79.5 | Confident | 75.5 | Confident | 106 Ų | 106 | 116.7 Ų | 116.7 | 50% | 0.495 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -55.7 | -41 | 171.4 | -74.6 | 178.2 | 170.6 | 0 | 0 | 111.8 | E113 K114 R119 G120 | E113-E117 WeakPolarHBondContact O-CB 3.43Å; E113-E117 WeakPolarHBondContact O-CG 3.46Å; E113-E117 PolarHBondContact O-N 3.41Å; K114-E117 IonicContact NZ-OE2 2.71Å; K114-E117 PolarHBondContact NZ-OE2 3.21Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.36Å; E117-G120 PolarHBondContact O-N 3.06Å |
| 118 | S | 73.8 | Confident | 74.2 | Confident | 72 Ų | 72 | 117.5 Ų | 117.5 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.4 | -23.6 | 178.6 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | K114 I115 E116 G120 Q121 | K114-S118 WeakPolarHBondContact O-CB 3.2Å; K114-S118 PolarHBondContact O-N 2.91Å; K114-S118 PolarHBondContact O-OG 3.05Å; I115-S118 PolarHBondContact O-N 2.88Å; I115-S118 PolarHBondContact O-OG 2.77Å; E116-S118 PolarHBondContact O-N 3.34Å; S118-G120 VanDerWaalsContact C-N 3.32Å; S118-Q121 PolarHBondContact O-N 3.39Å |
| 119 | R | 70.2 | Confident | 73.6 | Confident | 177 Ų | 177 | 112.7 Ų | 112.7 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.2 | -27.2 | 176.6 | -80.8 | 172.3 | 169.2 | -177.9 | -1.7 | 112.2 | I115 E116 E117 Q121 G122 | I115-R119 WeakPolarHBondContact O-CG 3.39Å; I115-R119 PolarHBondContact O-N 2.99Å; E116-R119 WeakPolarHBondContact O-CB 3.25Å; E116-R119 PolarHBondContact O-N 2.93Å; E117-R119 VanDerWaalsContact C-N 3.33Å; E117-R119 PolarHBondContact O-N 3.36Å; R119-Q121 PolarHBondContact O-N 2.91Å; R119-G122 PolarHBondContact O-N 3.35Å; R119-G122 VanDerWaalsContact O-N 3.14Å |
| 120 | G | 58.3 | Low | 73 | Confident | 66 Ų | 66 | 113.2 Ų | 113.2 | 68% | 0.68 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -14.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E116 E117 S118 | E116-G120 PolarHBondContact O-N 2.86Å; E117-G120 PolarHBondContact O-N 3.06Å; S118-G120 VanDerWaalsContact C-N 3.32Å |
| 121 | Q | 59.5 | Low | 72.2 | Confident | 179 Ų | 179 | 108 Ų | 108 | 84% | 0.836 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -2.2 | 173.5 | -62.3 | -71.7 | -37.5 | 0 | 0 | 112.6 | S118 R119 | S118-Q121 PolarHBondContact O-N 3.39Å; R119-Q121 PolarHBondContact O-N 2.91Å |
| 122 | G | 61.1 | Low | 71.5 | Confident | 46 Ų | 46 | 105.2 Ų | 105.2 | 47% | 0.474 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -87.7 | 171.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R119 | R119-G122 PolarHBondContact O-N 3.35Å; R119-G122 VanDerWaalsContact O-N 3.14Å |
| 123 | A | 60.7 | Low | 71.2 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -56.1 | 142.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q125 | A123-Q125 PolarHBondContact O-N 2.83Š|
| 124 | P | 56 | Low | 70.9 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 126.8 | -177.6 | -20.9 | 29.9 | 0 | 0 | 0 | 110.6 | D126 V132 | P124-D126 PolarHBondContact O-N 2.65Å; P124-V132 HydrophobicContact CB-CG2 4.03Å; P124-V132 HydrophobicContact CG-CG2 4.08Å |
| 125 | Q | 57.6 | Low | 70.6 | Confident | 176 Ų | 176 | 101.8 Ų | 101.8 | 82% | 0.822 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -61.5 | -29.7 | -178.4 | -77.7 | -73.2 | 14.5 | 0 | 0 | 112.2 | A123 A127 | A123-Q125 PolarHBondContact O-N 2.83Å; Q125-A127 PolarHBondContact O-N 3.43Å; Q125-A127 VanDerWaalsContact O-N 3.17Å |
| 126 | D | 60.6 | Low | 70.7 | Confident | 116 Ų | 116 | 107.1 Ų | 107.1 | 62% | 0.62 | 59% | 0.589 | S | S | * | * | trans | -89.9 | 89.6 | -178.9 | -67.3 | -35.6 | 0 | 0 | 0 | 112.3 | P124 L128 S129 | P124-D126 PolarHBondContact O-N 2.65Å; D126-L128 PolarHBondContact O-N 2.71Å; D126-S129 WeakPolarHBondContact O-CB 3.49Å; D126-S129 PolarHBondContact O-N 3.43Å | ||
| 127 | A | 61.7 | Low | 70.9 | Confident | 60 Ų | 60 | 103.2 Ų | 103.2 | 50% | 0.496 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.4 | -13.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q125 | Q125-A127 PolarHBondContact O-N 3.43Å; Q125-A127 VanDerWaalsContact O-N 3.17Å |
| 128 | L | 63.4 | Low | 71.5 | Confident | 138 Ų | 138 | 106 Ų | 106 | 72% | 0.723 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -12 | 178.7 | -63.4 | 177.6 | 0 | 0 | 0 | 114.2 | D126 E130 K133 | D126-L128 PolarHBondContact O-N 2.71Å; L128-E130 PolarHBondContact O-N 2.78Å; L128-K133 VanDerWaalsContact O-CE 3.23Å; L128-K133 WeakPolarHBondContact O-CE 3.16Å; L128-K133 PolarHBondContact O-NZ 2.92Å |
| 129 | S | 76.8 | Confident | 72.2 | Confident | 51 Ų | 51 | 109.1 Ų | 109.1 | 36% | 0.357 | 59% | 0.592 | S | S | . | * | trans | -57.5 | 134 | 177 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | D126 A131 V132 K133 | D126-S129 WeakPolarHBondContact O-CB 3.49Å; D126-S129 PolarHBondContact O-N 3.43Å; S129-A131 PolarHBondContact O-N 2.82Å; S129-V132 WeakPolarHBondContact O-CB 3.33Å; S129-V132 PolarHBondContact O-N 3.45Å; S129-K133 PolarHBondContact O-N 2.74Å; S129-K133 VanDerWaalsContact O-N 3.11Å | ||
| 130 | E | 78.9 | Confident | 73.2 | Confident | 164 Ų | 164 | 107.1 Ų | 107.1 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56.5 | -36.9 | -177.3 | -168.2 | 176.4 | 175.9 | 0 | 0 | 112.3 | L128 V132 K133 A134 | L128-E130 PolarHBondContact O-N 2.78Å; E130-V132 VanDerWaalsContact C-N 3.31Å; E130-V132 PolarHBondContact O-N 2.94Å; E130-K133 PolarHBondContact O-N 3.15Å; E130-A134 WeakPolarHBondContact O-CB 3.45Å; E130-A134 PolarHBondContact O-N 3.2Å |
| 131 | A | 76.1 | Confident | 74.7 | Confident | 70 Ų | 70 | 110 Ų | 110 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.5 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S129 K135 | S129-A131 PolarHBondContact O-N 2.82Å; A131-K135 WeakPolarHBondContact O-CB 3.3Å; A131-K135 PolarHBondContact O-N 3.12Å; A131-K135 VanDerWaalsContact O-N 3.08Å |
| 132 | V | 77.4 | Confident | 76.2 | Confident | 36 Ų | 36 | 105.8 Ų | 105.8 | 22% | 0.218 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -73.5 | -39.6 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | P124 S129 E130 K135 R136 | P124-V132 HydrophobicContact CB-CG2 4.03Å; P124-V132 HydrophobicContact CG-CG2 4.08Å; S129-V132 WeakPolarHBondContact O-CB 3.33Å; S129-V132 PolarHBondContact O-N 3.45Å; E130-V132 VanDerWaalsContact C-N 3.31Å; E130-V132 PolarHBondContact O-N 2.94Å; V132-K135 PolarHBondContact O-N 3.36Å; V132-R136 WeakPolarHBondContact O-CB 3.01Å; V132-R136 PolarHBondContact O-N 3.05Å |
| 133 | K | 81.6 | Confident | 77.7 | Confident | 116 Ų | 116 | 111.6 Ų | 111.6 | 50% | 0.504 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.7 | -46.4 | 174.2 | -69.7 | 175.5 | -179.6 | 163.4 | 0 | 111.3 | L128 S129 E130 K135 R136 A137 | L128-K133 VanDerWaalsContact O-CE 3.23Å; L128-K133 WeakPolarHBondContact O-CE 3.16Å; L128-K133 PolarHBondContact O-NZ 2.92Å; S129-K133 PolarHBondContact O-N 2.74Å; S129-K133 VanDerWaalsContact O-N 3.11Å; E130-K133 PolarHBondContact O-N 3.15Å; K133-K135 PolarHBondContact O-N 3.32Å; K133-R136 WeakPolarHBondContact O-CB 3.49Å; K133-R136 PolarHBondContact O-N 3.03Å; K133-R136 VanDerWaalsContact O-N 3.15Å; K133-A137 PolarHBondContact O-N 3.13Å |
| 134 | A | 83.3 | Confident | 79.2 | Confident | 48 Ų | 48 | 110.7 Ų | 110.7 | 40% | 0.397 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E130 R136 A137 K138 | E130-A134 WeakPolarHBondContact O-CB 3.45Å; E130-A134 PolarHBondContact O-N 3.2Å; A134-R136 VanDerWaalsContact C-N 3.32Å; A134-R136 PolarHBondContact O-N 2.86Å; A134-A137 PolarHBondContact O-N 3.45Å; A134-K138 WeakPolarHBondContact O-CG 3.38Å; A134-K138 PolarHBondContact O-N 3.37Å |
| 135 | K | 82.8 | Confident | 81 | Confident | 129 Ų | 129 | 114 Ų | 114 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.4 | -36.2 | 175.5 | -166.4 | 170.7 | -172.1 | 170.2 | 0 | 112.2 | A131 V132 K133 R139 | A131-K135 WeakPolarHBondContact O-CB 3.3Å; A131-K135 PolarHBondContact O-N 3.12Å; A131-K135 VanDerWaalsContact O-N 3.08Å; V132-K135 PolarHBondContact O-N 3.36Å; K133-K135 PolarHBondContact O-N 3.32Å; K135-R139 WeakPolarHBondContact O-CB 3.07Å; K135-R139 VanDerWaalsContact O-CG 3.32Å; K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 2.98Å; K135-R139 VanDerWaalsContact O-N 3.08Å |
| 136 | R | 83.1 | Confident | 82.7 | Confident | 175 Ų | 175 | 111.1 Ų | 111.1 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70 | -40.7 | 175.3 | -173.2 | 177.8 | -80.4 | 170.3 | -3.3 | 111.7 | V132 K133 A134 R139 K140 | V132-R136 WeakPolarHBondContact O-CB 3.01Å; V132-R136 PolarHBondContact O-N 3.05Å; K133-R136 WeakPolarHBondContact O-CB 3.49Å; K133-R136 PolarHBondContact O-N 3.03Å; K133-R136 VanDerWaalsContact O-N 3.15Å; A134-R136 VanDerWaalsContact C-N 3.32Å; A134-R136 PolarHBondContact O-N 2.86Å; R136-R139 PolarHBondContact O-N 2.95Å; R136-K140 PolarHBondContact O-N 3.46Å |
| 137 | A | 87.4 | Confident | 84.2 | Confident | 55 Ų | 55 | 112.3 Ų | 112.3 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | K133 A134 R139 K140 M141 | K133-A137 PolarHBondContact O-N 3.13Å; A134-A137 PolarHBondContact O-N 3.45Å; A137-R139 VanDerWaalsContact C-N 3.34Å; A137-R139 PolarHBondContact O-N 2.96Å; A137-K140 WeakPolarHBondContact O-CB 3.45Å; A137-K140 PolarHBondContact O-N 2.64Å; A137-M141 WeakPolarHBondContact O-CG 3.36Å; A137-M141 PolarHBondContact O-N 2.76Å |
| 138 | K | 91 | Very high | 85.7 | Confident | 164 Ų | 164 | 117.2 Ų | 117.2 | 71% | 0.713 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.5 | -45.1 | 174.4 | -73.9 | -176.4 | 178.6 | -178.3 | 0 | 112.2 | A134 K140 M141 E142 | A134-K138 WeakPolarHBondContact O-CG 3.38Å; A134-K138 PolarHBondContact O-N 3.37Å; K138-K140 VanDerWaalsContact C-N 3.31Å; K138-K140 PolarHBondContact O-N 3.27Å; K138-M141 PolarHBondContact O-N 2.71Å; K138-E142 WeakPolarHBondContact O-CB 3.45Å; K138-E142 PolarHBondContact O-N 2.83Å |
| 139 | R | 88 | Confident | 87.1 | Confident | 138 Ų | 138 | 116 Ų | 116 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -31.5 | 175.5 | -76.1 | 174.5 | 170.9 | -178.1 | -2.6 | 113.1 | K135 R136 A137 R143 | K135-R139 WeakPolarHBondContact O-CB 3.07Å; K135-R139 VanDerWaalsContact O-CG 3.32Å; K135-R139 WeakPolarHBondContact O-CG 3.38Å; K135-R139 PolarHBondContact O-N 2.98Å; K135-R139 VanDerWaalsContact O-N 3.08Å; R136-R139 PolarHBondContact O-N 2.95Å; A137-R139 VanDerWaalsContact C-N 3.34Å; A137-R139 PolarHBondContact O-N 2.96Å; R139-R143 WeakPolarHBondContact O-CB 3.25Å; R139-R143 WeakPolarHBondContact O-CD 3.44Å; R139-R143 WeakPolarHBondContact O-CG 3.35Å; R139-R143 PolarHBondContact O-N 3.45Å; R139-R143 VanDerWaalsContact O-N 3.17Å |
| 140 | K | 92.8 | Very high | 87.8 | Confident | 134 Ų | 134 | 122.9 Ų | 122.9 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.2 | -49.5 | 175.3 | -170.5 | -177.6 | 175.3 | -170.4 | 0 | 110.6 | R136 A137 K138 E142 R143 E144 | R136-K140 PolarHBondContact O-N 3.46Å; A137-K140 WeakPolarHBondContact O-CB 3.45Å; A137-K140 PolarHBondContact O-N 2.64Å; K138-K140 VanDerWaalsContact C-N 3.31Å; K138-K140 PolarHBondContact O-N 3.27Å; K140-E142 VanDerWaalsContact C-N 3.33Å; K140-E142 PolarHBondContact O-N 3.18Å; K140-R143 WeakPolarHBondContact O-CB 2.87Å; K140-R143 PolarHBondContact O-N 3.33Å; K140-E144 PolarHBondContact O-N 3.5Å |
| 141 | M | 88.7 | Confident | 88.4 | Confident | 126 Ų | 126 | 122 Ų | 122 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.4 | -41.5 | 176.9 | -64.4 | -55.8 | -71.8 | 0 | 0 | 112.3 | A137 K138 R143 E144 R145 | A137-M141 WeakPolarHBondContact O-CG 3.36Å; A137-M141 PolarHBondContact O-N 2.76Å; K138-M141 PolarHBondContact O-N 2.71Å; M141-R143 PolarHBondContact O-N 3.4Å; M141-E144 PolarHBondContact O-N 3.14Å; M141-R145 PolarHBondContact O-N 3.49Å |
| 142 | E | 91.1 | Very high | 89.1 | Confident | 92 Ų | 92 | 124.1 Ų | 124.1 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 176.7 | -167.2 | -144.9 | 161.4 | 0 | 0 | 112.1 | K138 K140 E144 R145 K146 | K138-E142 WeakPolarHBondContact O-CB 3.45Å; K138-E142 PolarHBondContact O-N 2.83Å; K140-E142 VanDerWaalsContact C-N 3.33Å; K140-E142 PolarHBondContact O-N 3.18Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E142-R145 PolarHBondContact O-N 3.21Å; E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.28Å; E142-K146 VanDerWaalsContact OE1-CE 3.24Å; E142-K146 WeakPolarHBondContact OE1-CE 3.41Å; E142-K146 IonicContact OE1-NZ 3.93Å; E142-K146 PolarHBondContact OE1-NZ 2.71Å |
| 143 | R | 92.7 | Very high | 89.8 | Confident | 168 Ų | 168 | 129.3 Ų | 129.3 | 63% | 0.634 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.5 | -39.6 | 175.2 | -75.7 | 170.3 | -175.5 | 173.7 | 1.7 | 111.7 | R139 K140 M141 K146 K147 | R139-R143 WeakPolarHBondContact O-CB 3.25Å; R139-R143 WeakPolarHBondContact O-CD 3.44Å; R139-R143 WeakPolarHBondContact O-CG 3.35Å; R139-R143 PolarHBondContact O-N 3.45Å; R139-R143 VanDerWaalsContact O-N 3.17Å; K140-R143 WeakPolarHBondContact O-CB 2.87Å; K140-R143 PolarHBondContact O-N 3.33Å; M141-R143 PolarHBondContact O-N 3.4Å; R143-K146 PolarHBondContact O-N 3.41Å; R143-K147 WeakPolarHBondContact O-CG 3.08Å; R143-K147 PolarHBondContact O-N 2.67Å |
| 144 | E | 92.5 | Very high | 90.3 | Very high | 72 Ų | 72 | 129 Ų | 129 | 34% | 0.336 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.3 | -44.2 | 176.4 | -73.8 | 179.7 | -168.4 | 0 | 0 | 111.7 | K140 M141 E142 K146 K147 R148 | K140-E144 PolarHBondContact O-N 3.5Å; M141-E144 PolarHBondContact O-N 3.14Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 2.7Å; E144-K147 WeakPolarHBondContact O-CB 3.49Å; E144-K147 PolarHBondContact O-N 2.97Å; E144-K147 VanDerWaalsContact O-N 3.1Å; E144-R148 WeakPolarHBondContact O-CG 3.23Å; E144-R148 PolarHBondContact O-N 2.92Å |
| 145 | R | 93 | Very high | 90.5 | Very high | 165 Ų | 165 | 132.3 Ų | 132.3 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -56.8 | -44.4 | 172.8 | -172.7 | -179.7 | 178.5 | -169.4 | -1 | 111.9 | M141 E142 R148 K149 | M141-R145 PolarHBondContact O-N 3.49Å; E142-R145 PolarHBondContact O-N 3.21Å; R145-R148 PolarHBondContact O-N 3.17Å; R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.11Å |
| 146 | K | 93.4 | Very high | 90.8 | Very high | 116 Ų | 116 | 133.1 Ų | 133.1 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.2 | -37 | 176.2 | -78.5 | 175.2 | 171.4 | 169.1 | 0 | 112.4 | E142 R143 E144 R150 | E142-K146 WeakPolarHBondContact O-CG 3.44Å; E142-K146 PolarHBondContact O-N 3.28Å; E142-K146 VanDerWaalsContact OE1-CE 3.24Å; E142-K146 WeakPolarHBondContact OE1-CE 3.41Å; E142-K146 IonicContact OE1-NZ 3.93Å; E142-K146 PolarHBondContact OE1-NZ 2.71Å; R143-K146 PolarHBondContact O-N 3.41Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 2.7Å; K146-R150 WeakPolarHBondContact O-CB 3.44Å; K146-R150 VanDerWaalsContact O-CG 3.3Å; K146-R150 WeakPolarHBondContact O-CG 3.28Å; K146-R150 PolarHBondContact O-N 2.95Å; K146-R150 VanDerWaalsContact O-N 3.1Å |
| 147 | K | 93.6 | Very high | 91.1 | Very high | 141 Ų | 141 | 129.7 Ų | 129.7 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.7 | -43.6 | 174.5 | -76.3 | 177.9 | 179.2 | -176.4 | 0 | 111.7 | R143 E144 R150 K151 | R143-K147 WeakPolarHBondContact O-CG 3.08Å; R143-K147 PolarHBondContact O-N 2.67Å; E144-K147 WeakPolarHBondContact O-CB 3.49Å; E144-K147 PolarHBondContact O-N 2.97Å; E144-K147 VanDerWaalsContact O-N 3.1Å; K147-R150 PolarHBondContact O-N 2.92Å; K147-K151 WeakPolarHBondContact O-CG 3.39Å; K147-K151 PolarHBondContact O-N 2.88Å |
| 148 | R | 92.2 | Very high | 91.1 | Very high | 164 Ų | 164 | 131.5 Ų | 131.5 | 62% | 0.619 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.1 | -51.6 | 176.1 | -70.4 | -177.1 | -174.2 | -172.1 | 1.4 | 111.3 | E144 R145 R150 K151 E152 | E144-R148 WeakPolarHBondContact O-CG 3.23Å; E144-R148 PolarHBondContact O-N 2.92Å; R145-R148 PolarHBondContact O-N 3.17Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 3.26Å; R148-K151 WeakPolarHBondContact O-CA 3.04Å; R148-K151 WeakPolarHBondContact O-CB 2.99Å; R148-K151 PolarHBondContact O-N 2.93Å; R148-E152 WeakPolarHBondContact O-CG 3.37Å; R148-E152 PolarHBondContact O-N 3.22Å |
| 149 | K | 93 | Very high | 90.7 | Very high | 112 Ų | 112 | 126.7 Ų | 126.7 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.8 | -38.5 | 175.3 | -72 | -173.5 | 174.2 | -164.2 | 0 | 113.8 | R145 F153 | R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.11Å; K149-F153 VanDerWaalsContact O-CB 3.25Å; K149-F153 WeakPolarHBondContact O-CB 3.41Å; K149-F153 PolarHBondContact O-N 2.88Å |
| 150 | R | 91.4 | Very high | 90.2 | Very high | 196 Ų | 196 | 127.3 Ų | 127.3 | 74% | 0.74 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.3 | -38.7 | 175.9 | -77.1 | 176.7 | -178.5 | -167.7 | -0.7 | 112.1 | K146 K147 R148 L154 | K146-R150 WeakPolarHBondContact O-CB 3.44Å; K146-R150 VanDerWaalsContact O-CG 3.3Å; K146-R150 WeakPolarHBondContact O-CG 3.28Å; K146-R150 PolarHBondContact O-N 2.95Å; K146-R150 VanDerWaalsContact O-N 3.1Å; K147-R150 PolarHBondContact O-N 2.92Å; R148-R150 VanDerWaalsContact C-N 3.29Å; R148-R150 PolarHBondContact O-N 3.26Å; R150-L154 WeakPolarHBondContact O-CB 3.29Å; R150-L154 PolarHBondContact O-N 3.44Å |
| 151 | K | 92 | Very high | 89.3 | Confident | 146 Ų | 146 | 127.4 Ų | 127.4 | 64% | 0.635 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.1 | -48.2 | 174.7 | -72.3 | -177.4 | 175.2 | -167 | 0 | 110.8 | K147 R148 F153 L154 L155 | K147-K151 WeakPolarHBondContact O-CG 3.39Å; K147-K151 PolarHBondContact O-N 2.88Å; R148-K151 WeakPolarHBondContact O-CA 3.04Å; R148-K151 WeakPolarHBondContact O-CB 2.99Å; R148-K151 PolarHBondContact O-N 2.93Å; K151-F153 VanDerWaalsContact C-N 3.31Å; K151-F153 PolarHBondContact O-N 2.76Å; K151-L154 WeakPolarHBondContact O-CB 3.32Å; K151-L154 PolarHBondContact O-N 3.31Å; K151-L154 VanDerWaalsContact O-N 3.13Å; K151-L155 WeakPolarHBondContact O-CB 3.43Å; K151-L155 WeakPolarHBondContact O-CD1 3.18Å; K151-L155 PolarHBondContact O-N 3.35Å |
| 152 | E | 91 | Very high | 88.1 | Confident | 114 Ų | 114 | 124.9 Ų | 124.9 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56.8 | -44.6 | 175.4 | -71.7 | 160.1 | -157 | 0 | 0 | 111.6 | R148 L155 K156 | R148-E152 WeakPolarHBondContact O-CG 3.37Å; R148-E152 PolarHBondContact O-N 3.22Å; E152-L155 PolarHBondContact O-N 3Å; E152-K156 VanDerWaalsContact O-CB 3.31Å; E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 3.49Å |
| 153 | F | 90.6 | Very high | 86.7 | Confident | 144 Ų | 144 | 123.4 Ų | 123.4 | 63% | 0.632 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.8 | -38.9 | 176.4 | -174 | -96.6 | 0 | 0 | 0 | 112.6 | K149 K151 K157 | K149-F153 VanDerWaalsContact O-CB 3.25Å; K149-F153 WeakPolarHBondContact O-CB 3.41Å; K149-F153 PolarHBondContact O-N 2.88Å; K151-F153 VanDerWaalsContact C-N 3.31Å; K151-F153 PolarHBondContact O-N 2.76Å; F153-K157 VanDerWaalsContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CB 3.4Å; F153-K157 PolarHBondContact O-N 3Å |
| 154 | L | 91.8 | Very high | 84.6 | Confident | 109 Ų | 109 | 123 Ų | 123 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.1 | -44 | 175.6 | -165 | 89.3 | 0 | 0 | 0 | 111.3 | R150 K151 K157 L158 | R150-L154 WeakPolarHBondContact O-CB 3.29Å; R150-L154 PolarHBondContact O-N 3.44Å; K151-L154 WeakPolarHBondContact O-CB 3.32Å; K151-L154 PolarHBondContact O-N 3.31Å; K151-L154 VanDerWaalsContact O-N 3.13Å; L154-K157 PolarHBondContact O-N 2.86Å; L154-L158 HydrophobicContact CD2-CD1 4.36Å; L154-L158 HydrophobicContact CG-CD1 4.33Å; L154-L158 WeakPolarHBondContact O-CB 3.47Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 2.9Å |
| 155 | L | 89 | Confident | 82.3 | Confident | 118 Ų | 118 | 128.3 Ų | 128.3 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.5 | -45.6 | 175.4 | -87.2 | 146.5 | 0 | 0 | 0 | 111.1 | K151 E152 K157 L158 A159 | K151-L155 WeakPolarHBondContact O-CB 3.43Å; K151-L155 WeakPolarHBondContact O-CD1 3.18Å; K151-L155 PolarHBondContact O-N 3.35Å; E152-L155 PolarHBondContact O-N 3Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-K157 PolarHBondContact O-N 2.81Å; L155-L158 PolarHBondContact O-N 3.18Å; L155-A159 WeakPolarHBondContact O-CB 3.38Å; L155-A159 PolarHBondContact O-N 2.94Å |
| 156 | K | 89.3 | Confident | 79.8 | Confident | 146 Ų | 146 | 128.1 Ų | 128.1 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.8 | -43.8 | 175.3 | -175.6 | 174.9 | 179.7 | 175.6 | 0 | 111.7 | E152 A159 E160 | E152-K156 VanDerWaalsContact O-CB 3.31Å; E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 3.49Å; K156-A159 PolarHBondContact O-N 2.97Å; K156-E160 VanDerWaalsContact O-CB 3.3Å; K156-E160 WeakPolarHBondContact O-CB 3.17Å; K156-E160 PolarHBondContact O-N 3.42Å |
| 157 | K | 88.8 | Confident | 77.5 | Confident | 104 Ų | 104 | 128 Ų | 128 | 45% | 0.452 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.8 | -37 | 178 | -169.2 | 178.1 | -179.5 | -177.6 | 0 | 112.2 | F153 L154 L155 Q161 | F153-K157 VanDerWaalsContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CB 3.4Å; F153-K157 PolarHBondContact O-N 3Å; L154-K157 PolarHBondContact O-N 2.86Å; L155-K157 VanDerWaalsContact C-N 3.34Å; L155-K157 PolarHBondContact O-N 2.81Å; K157-Q161 VanDerWaalsContact O-CB 3.29Å; K157-Q161 WeakPolarHBondContact O-CB 3.32Å; K157-Q161 WeakPolarHBondContact O-CG 3.49Å; K157-Q161 PolarHBondContact O-N 3.02Å |
| 158 | L | 86.3 | Confident | 74.8 | Confident | 93 Ų | 93 | 127.2 Ų | 127.2 | 49% | 0.487 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.3 | -40.9 | 174 | -76.9 | 170.2 | 0 | 0 | 0 | 111.4 | L154 L155 E160 Q161 S162 | L154-L158 HydrophobicContact CD2-CD1 4.36Å; L154-L158 HydrophobicContact CG-CD1 4.33Å; L154-L158 WeakPolarHBondContact O-CB 3.47Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 2.9Å; L155-L158 PolarHBondContact O-N 3.18Å; L158-E160 VanDerWaalsContact C-N 3.35Å; L158-Q161 CarbonylContact O-C 3.56Å; L158-Q161 PolarHBondContact O-N 2.9Å; L158-S162 VanDerWaalsContact O-CB 3.26Å; L158-S162 WeakPolarHBondContact O-CB 3.5Å; L158-S162 PolarHBondContact O-N 3.21Å; L158-S162 PolarHBondContact O-OG 2.88Å; L158-S162 VanDerWaalsContact O-OG 3.1Å |
| 159 | A | 83.6 | Confident | 72.1 | Confident | 62 Ų | 62 | 128 Ų | 128 | 51% | 0.512 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.3 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L155 K156 S162 G163 | L155-A159 WeakPolarHBondContact O-CB 3.38Å; L155-A159 PolarHBondContact O-N 2.94Å; K156-A159 PolarHBondContact O-N 2.97Å; A159-S162 WeakPolarHBondContact CA-OG 3.33Å; A159-S162 PolarHBondContact O-N 3.09Å; A159-S162 PolarHBondContact O-OG 3.3Å; A159-G163 PolarHBondContact O-N 3.15Å |
| 160 | E | 78.4 | Confident | 69.4 | Low | 151 Ų | 151 | 129.3 Ų | 129.3 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.2 | -31.5 | 174.7 | -169 | 175.1 | -169.1 | 0 | 0 | 112 | K156 L158 | K156-E160 VanDerWaalsContact O-CB 3.3Å; K156-E160 WeakPolarHBondContact O-CB 3.17Å; K156-E160 PolarHBondContact O-N 3.42Å; L158-E160 VanDerWaalsContact C-N 3.35Å |
| 161 | Q | 72.6 | Confident | 66.9 | Low | 136 Ų | 136 | 129.2 Ų | 129.2 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.2 | -26.1 | 174.7 | -75.4 | -179.5 | -25.9 | 0 | 0 | 113.5 | K157 L158 G163 | K157-Q161 VanDerWaalsContact O-CB 3.29Å; K157-Q161 WeakPolarHBondContact O-CB 3.32Å; K157-Q161 WeakPolarHBondContact O-CG 3.49Å; K157-Q161 PolarHBondContact O-N 3.02Å; L158-Q161 CarbonylContact O-C 3.56Å; L158-Q161 PolarHBondContact O-N 2.9Å; Q161-G163 VanDerWaalsContact C-N 3.3Å |
| 162 | S | 64.9 | Low | 64.3 | Low | 73 Ų | 73 | 130.8 Ų | 130.8 | 51% | 0.51 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | 0.8 | 179.4 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | L158 A159 Q164 | L158-S162 VanDerWaalsContact O-CB 3.26Å; L158-S162 WeakPolarHBondContact O-CB 3.5Å; L158-S162 PolarHBondContact O-N 3.21Å; L158-S162 PolarHBondContact O-OG 2.88Å; L158-S162 VanDerWaalsContact O-OG 3.1Å; A159-S162 WeakPolarHBondContact CA-OG 3.33Å; A159-S162 PolarHBondContact O-N 3.09Å; A159-S162 PolarHBondContact O-OG 3.3Å; S162-Q164 PolarHBondContact O-N 3.13Å |
| 163 | G | 60.1 | Low | 62 | Low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.1 | 32.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A159 Q161 E165 | A159-G163 PolarHBondContact O-N 3.15Å; Q161-G163 VanDerWaalsContact C-N 3.3Å; G163-E165 PolarHBondContact O-N 3.44Å; G163-E165 VanDerWaalsContact O-N 3.07Å |
| 164 | Q | 49.2 | Very low | 59.7 | Low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -85.7 | 72.8 | 170.8 | -81.6 | -173.4 | -22.1 | 0 | 0 | 108.7 | S162 Q166 | S162-Q164 PolarHBondContact O-N 3.13Å; Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.99Å | ||
| 165 | E | 44.6 | Very low | 57.4 | Low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | trans | -71.3 | 99.6 | 138.7 | -68.7 | -177.7 | 168.6 | 0 | 0 | 105.5 | G163 | G163-E165 PolarHBondContact O-N 3.44Å; G163-E165 VanDerWaalsContact O-N 3.07Å | ||
| 166 | Q | 40.8 | Very low | 55 | Low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 123.4 | 159.4 | -83.3 | -95.4 | -4.5 | 0 | 0 | 106.5 | Q164 | Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.99Å |
| 167 | P | 43.7 | Very low | 52.9 | Low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 149.6 | 177.3 | 29.1 | -31.8 | 0 | 0 | 0 | 110.9 | E169 | P167-E169 PolarHBondContact O-N 3.26Š|
| 168 | V | 37.8 | Very low | 50.9 | Low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 120.1 | 171.3 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | I170 | V168-I170 HydrophobicContact CG1-CG1 3.8Š|
| 169 | E | 35.2 | Very low | 48.8 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | trans | -99.7 | 111.4 | 159.5 | -151.2 | 175.2 | -148.9 | 0 | 0 | 107.4 | P167 | P167-E169 PolarHBondContact O-N 3.26Š| ||
| 170 | I | 37.2 | Very low | 46.9 | Very low | 141 Ų | 141 | 137 Ų | 137 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | -77.1 | 119.8 | 177.8 | -61.9 | 170.5 | 0 | 0 | 0 | 107.2 | V168 | V168-I170 HydrophobicContact CG1-CG1 3.8Š| ||
| 171 | K | 38.9 | Very low | 45.4 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -120.9 | 134.6 | 154 | -77.2 | -174.6 | 177.6 | 178.8 | 0 | 107.9 | ||||
| 172 | E | 37.3 | Very low | 43.9 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -69.8 | 136.6 | -166.1 | -61.8 | 172.7 | 154.3 | 0 | 0 | 113.5 | ||||
| 173 | E | 42.2 | Very low | 43 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 46.9 | 142.2 | 142.5 | -68.3 | -150.6 | 180 | 0 | 0 | 122.1 | ||||
| 174 | P | 41.9 | Very low | 42.3 | Very low | 126 Ų | 126 | 149.2 Ų | 149.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -137 | 168.9 | 47.6 | 35 | -13.4 | 0 | 0 | 0 | 118.5 | ||||
| 175 | I | 43.9 | Very low | 42.3 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -53.2 | 134.4 | -176 | -64.3 | 148 | 0 | 0 | 0 | 115.6 | ||||
| 176 | A | 37.8 | Very low | 42.5 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 164.6 | 165.3 | 129.6 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 177 | P | 44.9 | Very low | 43.5 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -97.5 | 165 | -97 | 30.4 | -13.5 | 0 | 0 | 0 | 114.7 | T179 | P177-T179 PolarHBondContact O-N 3.45Š| |||
| 178 | A | 48.6 | Very low | 44.3 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -45 | 116 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 179 | T | 40.6 | Very low | 45.2 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -94.3 | 109.5 | 165.5 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | P177 K181 | P177-T179 PolarHBondContact O-N 3.45Å; T179-K181 PolarHBondContact O-N 2.9Å | ||
| 180 | E | 44.7 | Very low | 47 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -46.4 | 128.2 | 163 | -58.7 | 177.3 | 153.7 | 0 | 0 | 109.3 | R182 | E180-R182 PolarHBondContact O-N 3.06Å; E180-R182 IonicContact OE2-NE 2.63Å; E180-R182 IonicContact OE2-NH2 3.71Å | ||
| 181 | K | 45.7 | Very low | 48.2 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 77.2 | 169.6 | -67.8 | 178.2 | -178.1 | 174.6 | 0 | 108.9 | T179 V183 | T179-K181 PolarHBondContact O-N 2.9Å; K181-V183 PolarHBondContact O-N 2.92Å | ||
| 182 | R | 41.4 | Very low | 49.3 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -64.5 | 120 | 162.7 | -71 | -174.7 | -178.9 | 179 | -0.1 | 106.9 | E180 T184 | E180-R182 PolarHBondContact O-N 3.06Å; E180-R182 IonicContact OE2-NE 2.63Å; E180-R182 IonicContact OE2-NH2 3.71Å; R182-T184 PolarHBondContact O-N 2.86Å | ||
| 183 | V | 46.3 | Very low | 50.4 | Low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -63.5 | 102.8 | 166.2 | 178.5 | 0 | 0 | 0 | 0 | 105.9 | K181 S185 | K181-V183 PolarHBondContact O-N 2.92Å; V183-S185 PolarHBondContact O-N 3.26Å | ||
| 184 | T | 46.4 | Very low | 51.1 | Low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -73.4 | 71.3 | 171.3 | 46.6 | 0 | 0 | 0 | 0 | 108.9 | R182 A186 | R182-T184 PolarHBondContact O-N 2.86Å; T184-A186 PolarHBondContact O-N 3.23Å | ||
| 185 | S | 49.2 | Very low | 51.7 | Low | 90 Ų | 90 | 136.4 Ų | 136.4 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -64.8 | 119.4 | 156.2 | 50.9 | 0 | 0 | 0 | 0 | 106.7 | V183 I187 | V183-S185 PolarHBondContact O-N 3.26Å; S185-I187 PolarHBondContact O-N 3.36Å | ||
| 186 | A | 48.9 | Very low | 52.4 | Low | 95 Ų | 95 | 137.2 Ų | 137.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -40.7 | 107.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T184 V188 | T184-A186 PolarHBondContact O-N 3.23Å; A186-V188 PolarHBondContact O-N 2.9Å | ||
| 187 | I | 60.1 | Low | 53.4 | Low | 147 Ų | 147 | 140.8 Ų | 140.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -71.4 | 108.3 | 171 | -64.6 | 168.2 | 0 | 0 | 0 | 105.8 | S185 F189 | S185-I187 PolarHBondContact O-N 3.36Å; I187-F189 HydrophobicContact CG2-CD2 4.39Å; I187-F189 PolarHBondContact O-N 3.01Å | ||
| 188 | V | 61.8 | Low | 54.2 | Low | 119 Ų | 119 | 137.9 Ų | 137.9 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -76.5 | 111.9 | 168.5 | 176.2 | 0 | 0 | 0 | 0 | 106.6 | A186 N190 | A186-V188 PolarHBondContact O-N 2.9Å; V188-N190 PolarHBondContact O-N 3.17Å | ||
| 189 | F | 55.4 | Low | 54.8 | Low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.873 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 17.1 | -166.4 | -131.7 | -94.1 | 0 | 0 | 0 | 115.8 | I187 | I187-F189 HydrophobicContact CG2-CD2 4.39Å; I187-F189 PolarHBondContact O-N 3.01Å |
| 190 | N | 72.9 | Confident | 56.1 | Low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 6.9 | -169.8 | -149.3 | 8 | 0 | 0 | 0 | 115.1 | V188 | V188-N190 PolarHBondContact O-N 3.17Š|
| 191 | K | 64.2 | Low | 57.9 | Low | 165 Ų | 165 | 138.3 Ų | 138.3 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | -146.4 | 101.9 | 168.9 | -147.4 | 73.4 | 175.9 | -178.1 | 0 | 110.8 | E193 | K191-E193 HydrophobicContact CG-CG 4.02Å; K191-E193 PolarHBondContact O-N 3.47Å | ||
| 192 | V | 60.8 | Low | 59.6 | Low | 136 Ų | 136 | 136.9 Ų | 136.9 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | -86 | 96.5 | 162.5 | 176.9 | 0 | 0 | 0 | 0 | 105.9 | T194 | V192-T194 HydrophobicContact CG1-CG2 4.45Š| ||
| 193 | E | 59.7 | Low | 61.4 | Low | 150 Ų | 150 | 134.3 Ų | 134.3 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | -82 | 108.8 | 164.3 | -68.6 | -178.7 | 175.5 | 0 | 0 | 107.1 | K191 V195 | K191-E193 HydrophobicContact CG-CG 4.02Å; K191-E193 PolarHBondContact O-N 3.47Å; E193-V195 VanDerWaalsContact C-N 3.3Å; E193-V195 PolarHBondContact O-N 3.19Å | ||
| 194 | T | 56.8 | Low | 63.1 | Low | 114 Ų | 114 | 132.7 Ų | 132.7 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | -68.7 | 92.8 | 165.8 | 46.9 | 0 | 0 | 0 | 0 | 107.4 | V192 D196 | V192-T194 HydrophobicContact CG1-CG2 4.45Å; T194-D196 PolarHBondContact O-N 2.82Å; T194-D196 VanDerWaalsContact O-N 3.1Å | ||
| 195 | V | 56.4 | Low | 64.9 | Low | 89 Ų | 89 | 127.8 Ų | 127.8 | 54% | 0.539 | 68% | 0.676 | S | S | . | * | trans | -70.9 | 101.1 | 166.1 | -176.1 | 0 | 0 | 0 | 0 | 106.3 | E193 E197 | E193-V195 VanDerWaalsContact C-N 3.3Å; E193-V195 PolarHBondContact O-N 3.19Å; V195-E197 HydrophobicContact CG1-CB 4.16Å; V195-E197 WeakPolarHBondContact CG1-O 3.38Å; V195-E197 CarbonylContact O-C 3.6Å; V195-E197 PolarHBondContact O-N 3.03Å; V195-E197 VanDerWaalsContact O-N 3.11Å | ||
| 196 | D | 57.5 | Low | 66.4 | Low | 162 Ų | 162 | 130.2 Ų | 130.2 | 87% | 0.866 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -57.5 | -21 | 177.4 | -76 | -31.2 | 0 | 0 | 0 | 112.6 | T194 G198 | T194-D196 PolarHBondContact O-N 2.82Å; T194-D196 VanDerWaalsContact O-N 3.1Å; D196-G198 PolarHBondContact O-N 2.97Å |
| 197 | E | 59.4 | Low | 68 | Low | 163 Ų | 163 | 128.7 Ų | 128.7 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -83.4 | 89.4 | 165 | -84.3 | -172.7 | 146.6 | 0 | 0 | 110.6 | V195 Y199 | V195-E197 HydrophobicContact CG1-CB 4.16Å; V195-E197 WeakPolarHBondContact CG1-O 3.38Å; V195-E197 CarbonylContact O-C 3.6Å; V195-E197 PolarHBondContact O-N 3.03Å; V195-E197 VanDerWaalsContact O-N 3.11Å; E197-Y199 PolarHBondContact O-N 3.32Å |
| 198 | G | 60.4 | Low | 69.1 | Low | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 64% | 0.641 | S | S | * | * | trans | -47.9 | 134.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | D196 E200 | D196-G198 PolarHBondContact O-N 2.97Å; G198-E200 PolarHBondContact O-N 2.84Å | ||
| 199 | Y | 61.7 | Low | 70.1 | Confident | 220 Ų | 220 | 128.2 Ų | 128.2 | 86% | 0.863 | 64% | 0.636 | S | S | * | * | trans | -51 | 103.3 | 177.7 | -80.3 | -94.1 | 0 | 0 | 0 | 110.5 | E197 T201 | E197-Y199 PolarHBondContact O-N 3.32Å; Y199-T201 PolarHBondContact O-N 2.77Å | ||
| 200 | E | 68.3 | Low | 71.1 | Confident | 86 Ų | 86 | 126 Ų | 126 | 40% | 0.402 | 63% | 0.627 | S | S | . | * | trans | -62.9 | 112.9 | 177.7 | -70.3 | -172.1 | -168.3 | 0 | 0 | 109.7 | G198 K202 K208 | G198-E200 PolarHBondContact O-N 2.84Å; E200-K202 PolarHBondContact O-N 3.34Å; E200-K208 WeakPolarHBondContact OE1-CE 3.37Å; E200-K208 IonicContact OE1-NZ 2.77Å; E200-K208 PolarHBondContact OE1-NZ 3.04Å; E200-K208 IonicContact OE2-NZ 3.65Å | ||
| 201 | T | 82.3 | Confident | 71.3 | Confident | 88 Ų | 88 | 127.2 Ų | 127.2 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | trans | -56.1 | 141.7 | 169.6 | -49.7 | 0 | 0 | 0 | 0 | 108.7 | Y199 F203 Q204 A205 | Y199-T201 PolarHBondContact O-N 2.77Å; T201-F203 HydrophobicContact CG2-CB 4.34Å; T201-F203 CarbonylContact O-C 3.53Å; T201-F203 PolarHBondContact O-N 3.06Å; T201-Q204 WeakPolarHBondContact O-CB 3.3Å; T201-Q204 PolarHBondContact O-N 2.88Å; T201-A205 PolarHBondContact O-N 2.92Å | ||
| 202 | K | 81.1 | Confident | 71.9 | Confident | 180 Ų | 180 | 123.4 Ų | 123.4 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -48 | -26.9 | 177.9 | -66.8 | 176.5 | -178.5 | 168.6 | 0 | 113.6 | E200 K206 | E200-K202 PolarHBondContact O-N 3.34Å; K202-K206 WeakPolarHBondContact O-CG 3.37Å; K202-K206 PolarHBondContact O-N 3.43Å |
| 203 | F | 80.3 | Confident | 73 | Confident | 144 Ų | 144 | 119.6 Ų | 119.6 | 63% | 0.632 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.1 | -46.8 | 174.4 | -174.9 | -104.1 | 0 | 0 | 0 | 113 | T201 A205 K206 I207 | T201-F203 HydrophobicContact CG2-CB 4.34Å; T201-F203 CarbonylContact O-C 3.53Å; T201-F203 PolarHBondContact O-N 3.06Å; F203-A205 VanDerWaalsContact C-N 3.35Å; F203-A205 PolarHBondContact O-N 2.9Å; F203-K206 WeakPolarHBondContact O-CB 3.19Å; F203-K206 PolarHBondContact O-N 2.62Å; F203-K206 VanDerWaalsContact O-N 3.15Å; F203-I207 HydrophobicContact CD1-CD1 3.65Å; F203-I207 HydrophobicContact CE1-CD1 3.26Å; F203-I207 HydrophobicContact CE1-CG1 4.34Å; F203-I207 HydrophobicContact CG-CD1 4.47Å; F203-I207 HydrophobicContact CZ-CD1 3.79Å; F203-I207 PolarHBondContact O-N 3.33Å |
| 204 | Q | 82.3 | Confident | 74.1 | Confident | 99 Ų | 99 | 115.4 Ų | 115.4 | 46% | 0.463 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.9 | -42.3 | 177.7 | -64 | -175.2 | 5.9 | 0 | 0 | 111.1 | T201 K206 I207 K208 | T201-Q204 WeakPolarHBondContact O-CB 3.3Å; T201-Q204 PolarHBondContact O-N 2.88Å; Q204-K206 VanDerWaalsContact C-N 3.29Å; Q204-K206 PolarHBondContact O-N 3.43Å; Q204-I207 WeakPolarHBondContact O-CB 3.42Å; Q204-I207 PolarHBondContact O-N 3.47Å; Q204-I207 VanDerWaalsContact O-N 3.07Å; Q204-K208 WeakPolarHBondContact O-CG 3.42Å; Q204-K208 PolarHBondContact O-N 3.5Å |
| 205 | A | 82.4 | Confident | 74.9 | Confident | 33 Ų | 33 | 111.7 Ų | 111.7 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.7 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | T201 F203 K209 | T201-A205 PolarHBondContact O-N 2.92Å; F203-A205 VanDerWaalsContact C-N 3.35Å; F203-A205 PolarHBondContact O-N 2.9Å; A205-K209 WeakPolarHBondContact O-CG 3.46Å; A205-K209 PolarHBondContact O-N 3.31Å |
| 206 | K | 82 | Confident | 76.1 | Confident | 141 Ų | 141 | 116.8 Ų | 116.8 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.7 | -39 | 173.8 | -74.8 | 173.6 | -176.4 | 179.3 | 0 | 111.8 | K202 F203 Q204 K209 K210 | K202-K206 WeakPolarHBondContact O-CG 3.37Å; K202-K206 PolarHBondContact O-N 3.43Å; F203-K206 WeakPolarHBondContact O-CB 3.19Å; F203-K206 PolarHBondContact O-N 2.62Å; F203-K206 VanDerWaalsContact O-N 3.15Å; Q204-K206 VanDerWaalsContact C-N 3.29Å; Q204-K206 PolarHBondContact O-N 3.43Å; K206-K209 PolarHBondContact O-N 2.92Å; K206-K210 WeakPolarHBondContact O-CG 3.31Å; K206-K210 PolarHBondContact O-N 3.08Å |
| 207 | I | 82.3 | Confident | 77.5 | Confident | 64 Ų | 64 | 110.4 Ų | 110.4 | 33% | 0.328 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -47.1 | 176.8 | -68 | 167.9 | 0 | 0 | 0 | 110.2 | F203 Q204 K209 K210 K211 | F203-I207 HydrophobicContact CD1-CD1 3.65Å; F203-I207 HydrophobicContact CE1-CD1 3.26Å; F203-I207 HydrophobicContact CE1-CG1 4.34Å; F203-I207 HydrophobicContact CG-CD1 4.47Å; F203-I207 HydrophobicContact CZ-CD1 3.79Å; F203-I207 PolarHBondContact O-N 3.33Å; Q204-I207 WeakPolarHBondContact O-CB 3.42Å; Q204-I207 PolarHBondContact O-N 3.47Å; Q204-I207 VanDerWaalsContact O-N 3.07Å; I207-K209 VanDerWaalsContact C-N 3.28Å; I207-K209 PolarHBondContact O-N 2.86Å; I207-K210 PolarHBondContact O-N 3.29Å; I207-K210 VanDerWaalsContact O-N 3.17Å; I207-K211 HydrophobicContact CG2-CD 4.1Å; I207-K211 HydrophobicContact CG2-CG 4.36Å; I207-K211 WeakPolarHBondContact O-CG 3.48Å; I207-K211 PolarHBondContact O-N 2.93Å |
| 208 | K | 83.8 | Confident | 78.7 | Confident | 113 Ų | 113 | 105.3 Ų | 105.3 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 175.8 | -69.2 | -173.8 | -178.6 | -167.3 | 0 | 111.3 | E200 Q204 K211 S212 | E200-K208 WeakPolarHBondContact OE1-CE 3.37Å; E200-K208 IonicContact OE1-NZ 2.77Å; E200-K208 PolarHBondContact OE1-NZ 3.04Å; E200-K208 IonicContact OE2-NZ 3.65Å; Q204-K208 WeakPolarHBondContact O-CG 3.42Å; Q204-K208 PolarHBondContact O-N 3.5Å; K208-K211 PolarHBondContact O-N 3.43Å; K208-S212 PolarHBondContact O-N 3.35Å; K208-S212 PolarHBondContact O-OG 3.09Å |
| 209 | K | 81.1 | Confident | 80 | Confident | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.3 | -47.1 | 174.4 | -77 | 179.6 | -179.3 | -179.7 | 0 | 113.4 | A205 K206 I207 K211 S212 E213 | A205-K209 WeakPolarHBondContact O-CG 3.46Å; A205-K209 PolarHBondContact O-N 3.31Å; K206-K209 PolarHBondContact O-N 2.92Å; I207-K209 VanDerWaalsContact C-N 3.28Å; I207-K209 PolarHBondContact O-N 2.86Å; K209-K211 VanDerWaalsContact C-N 3.26Å; K209-K211 PolarHBondContact O-N 3.04Å; K209-S212 WeakPolarHBondContact CA-OG 3.15Å; K209-S212 PolarHBondContact O-N 3.44Å; K209-S212 VanDerWaalsContact O-N 3.14Å; K209-S212 PolarHBondContact O-OG 3.2Å; K209-E213 PolarHBondContact O-N 3.26Å |
| 210 | K | 77.4 | Confident | 81.5 | Confident | 153 Ų | 153 | 93.7 Ų | 93.7 | 67% | 0.665 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61 | -36.4 | 175.3 | -73.2 | -177.1 | 175.4 | -173.5 | 0 | 112.2 | K206 I207 E213 | K206-K210 WeakPolarHBondContact O-CG 3.31Å; K206-K210 PolarHBondContact O-N 3.08Å; I207-K210 PolarHBondContact O-N 3.29Å; I207-K210 VanDerWaalsContact O-N 3.17Å; K210-E213 PolarHBondContact O-N 2.97Å |
| 211 | K | 77.3 | Confident | 82.4 | Confident | 172 Ų | 172 | 92.5 Ų | 92.5 | 75% | 0.748 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.2 | -32.6 | 175.8 | -71.2 | -179 | 176.5 | -173 | 0 | 112.5 | I207 K208 K209 E213 | I207-K211 HydrophobicContact CG2-CD 4.1Å; I207-K211 HydrophobicContact CG2-CG 4.36Å; I207-K211 WeakPolarHBondContact O-CG 3.48Å; I207-K211 PolarHBondContact O-N 2.93Å; K208-K211 PolarHBondContact O-N 3.43Å; K209-K211 VanDerWaalsContact C-N 3.26Å; K209-K211 PolarHBondContact O-N 3.04Å; K211-E213 PolarHBondContact O-N 2.99Å |
| 212 | S | 76.8 | Confident | 82.8 | Confident | 85 Ų | 85 | 89.4 Ų | 89.4 | 59% | 0.594 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -74.7 | -10.2 | 176.3 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | K208 K209 K214 | K208-S212 PolarHBondContact O-N 3.35Å; K208-S212 PolarHBondContact O-OG 3.09Å; K209-S212 WeakPolarHBondContact CA-OG 3.15Å; K209-S212 PolarHBondContact O-N 3.44Å; K209-S212 VanDerWaalsContact O-N 3.14Å; K209-S212 PolarHBondContact O-OG 3.2Å; S212-K214 PolarHBondContact O-N 3.07Å |
| 213 | E | 83.2 | Confident | 83.2 | Confident | 55 Ų | 55 | 89.6 Ų | 89.6 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -76.2 | 111.2 | 178.6 | -71.5 | 166 | -160.5 | 0 | 0 | 111 | K209 K210 K211 G215 K216 T218 Y264 | K209-E213 PolarHBondContact O-N 3.26Å; K210-E213 PolarHBondContact O-N 2.97Å; K211-E213 PolarHBondContact O-N 2.99Å; E213-G215 PolarHBondContact O-N 2.89Å; E213-K216 PolarHBondContact O-N 3.33Å; E213-T218 HydrophobicContact CG-CG2 4.2Å; E213-T218 VanDerWaalsContact OE1-CG2 3.22Å; E213-T218 WeakPolarHBondContact OE1-CG2 3.49Å; E213-T218 VanDerWaalsContact OE2-CG2 3.25Å; E213-T218 WeakPolarHBondContact OE2-CG2 3.28Å; E213-Y264 WeakPolarHBondContact CA-OH 3.44Å |
| 214 | K | 82.6 | Confident | 83.9 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 27% | 0.274 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -61.5 | 125.6 | 174.6 | -66.2 | 162.1 | 169.2 | 177.6 | 0 | 110.1 | S212 K216 I217 L263 Y264 E267 | S212-K214 PolarHBondContact O-N 3.07Å; K214-K216 PolarHBondContact O-N 3.1Å; K214-I217 PolarHBondContact O-N 2.88Å; K214-L263 HydrophobicContact CB-CD2 4.31Å; K214-L263 HydrophobicContact CD-CD2 3.59Å; K214-L263 HydrophobicContact CD-CG 3.81Å; K214-L263 HydrophobicContact CG-CD2 4.13Å; K214-Y264 HydrophobicContact CB-CE1 4.02Å; K214-Y264 HydrophobicContact CB-CE2 4.27Å; K214-Y264 HydrophobicContact CD-CD1 3.8Å; K214-Y264 HydrophobicContact CD-CE1 3.61Å; K214-Y264 HydrophobicContact CG-CE1 4.03Å; K214-Y264 PolarHBondContact N-OH 2.97Å; K214-Y264 PolarHBondContact O-OH 3.01Å; K214-E267 WeakPolarHBondContact CE-OE2 3.04Å; K214-E267 IonicContact NZ-OE2 2.62Å; K214-E267 PolarHBondContact NZ-OE2 2.99Å |
| 215 | G | 75.3 | Confident | 84.4 | Confident | 36 Ų | 36 | 84.2 Ų | 84.2 | 37% | 0.371 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | 64.8 | 19.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E213 I217 K256 | E213-G215 PolarHBondContact O-N 2.89Å; G215-I217 PolarHBondContact O-N 3.05Å; G215-K256 WeakPolarHBondContact O-CE 3.49Å |
| 216 | K | 81.8 | Confident | 85 | Confident | 196 Ų | 196 | 89.3 Ų | 89.3 | 85% | 0.852 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | 59.8 | 21.4 | -172.6 | -51.4 | -177.2 | -178.4 | -174.4 | 0 | 113.5 | E213 K214 | E213-K216 PolarHBondContact O-N 3.33Å; K214-K216 PolarHBondContact O-N 3.1Å |
| 217 | I | 85.2 | Confident | 85.6 | Confident | 27 Ų | 27 | 87.5 Ų | 87.5 | 14% | 0.138 | 43% | 0.426 | C | S | . | . | trans | -110.9 | 115.1 | 179.4 | -64.4 | 165.6 | 0 | 0 | 0 | 108.2 | K214 G215 K256 I257 T260 Y264 | K214-I217 PolarHBondContact O-N 2.88Å; G215-I217 PolarHBondContact O-N 3.05Å; I217-K256 HydrophobicContact CD1-CG 4.08Å; I217-I257 HydrophobicContact CD1-CG1 3.84Å; I217-T260 HydrophobicContact CD1-CG2 4.02Å; I217-T260 WeakPolarHBondContact CD1-OG1 3.32Å; I217-Y264 WeakPolarHBondContact O-CE2 3.47Å; I217-Y264 PolarHBondContact O-OH 2.86Å | ||
| 218 | T | 86.1 | Confident | 86.1 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 34% | 0.344 | 41% | 0.411 | S | S | . | . | trans | -67.1 | 130.5 | 175.3 | 38.9 | 0 | 0 | 0 | 0 | 111.1 | E213 L220 R235 | E213-T218 HydrophobicContact CG-CG2 4.2Å; E213-T218 VanDerWaalsContact OE1-CG2 3.22Å; E213-T218 WeakPolarHBondContact OE1-CG2 3.49Å; E213-T218 VanDerWaalsContact OE2-CG2 3.25Å; E213-T218 WeakPolarHBondContact OE2-CG2 3.28Å; T218-L220 PolarHBondContact O-N 2.82Å; T218-R235 PolarHBondContact O-NH2 3.44Å | ||
| 219 | P | 87.9 | Confident | 86.7 | Confident | 33 Ų | 33 | 80.3 Ų | 80.3 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | trans | -71 | 133.2 | 176.8 | 28.6 | -33.6 | 0 | 0 | 0 | 110.7 | T221 Y264 I269 I271 | P219-T221 VanDerWaalsContact C-N 3.34Å; P219-T221 HydrophobicContact CB-CG2 3.94Å; P219-T221 HydrophobicContact CG-CG2 4.36Å; P219-T221 PolarHBondContact O-N 3.35Å; P219-T221 PolarHBondContact O-OG1 3.37Å; P219-Y264 HydrophobicContact CB-CD1 4.35Å; P219-Y264 HydrophobicContact CB-CD2 4.02Å; P219-Y264 HydrophobicContact CB-CE1 4.34Å; P219-Y264 HydrophobicContact CB-CE2 4.05Å; P219-Y264 HydrophobicContact CB-CG 4.17Å; P219-Y264 HydrophobicContact CG-CE1 4.16Å; P219-Y264 HydrophobicContact CG-CE2 4.45Å; P219-I269 HydrophobicContact CB-CG2 4.18Å; P219-I271 HydrophobicContact CB-CD1 4.41Å; P219-I271 HydrophobicContact CB-CG1 4.38Å | ||
| 220 | L | 91.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | trans | -77.6 | 85 | -179.7 | -114.8 | 66 | 0 | 0 | 0 | 110.8 | T218 L228 R231 V232 R235 I271 K272 D273 | T218-L220 PolarHBondContact O-N 2.82Å; L220-L228 HydrophobicContact CG-CG 4.47Å; L220-R231 HydrophobicContact CD1-CB 4.01Å; L220-R231 HydrophobicContact CD2-CB 4.47Å; L220-R231 HydrophobicContact CG-CB 4.5Å; L220-V232 HydrophobicContact CD2-CB 4.42Å; L220-V232 HydrophobicContact CD2-CG2 3.23Å; L220-R235 VanDerWaalsContact CD1-CZ 3.48Å; L220-I271 HydrophobicContact CB-CG2 4.4Å; L220-K272 PolarHBondContact O-N 3.32Å; L220-D273 WeakPolarHBondContact CB-OD1 3.21Å; L220-D273 VanDerWaalsContact CD2-OD1 3.29Å; L220-D273 WeakPolarHBondContact CD2-OD1 3.44Å | ||
| 221 | T | 88.6 | Confident | 88.2 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 37% | 0.368 | 38% | 0.377 | S | S | . | . | trans | -120.7 | 154.3 | -170.3 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | P219 I269 | P219-T221 VanDerWaalsContact C-N 3.34Å; P219-T221 HydrophobicContact CB-CG2 3.94Å; P219-T221 HydrophobicContact CG-CG2 4.36Å; P219-T221 PolarHBondContact O-N 3.35Å; P219-T221 PolarHBondContact O-OG1 3.37Å; T221-I269 HydrophobicContact CG2-CG2 3.27Å | ||
| 222 | G | 89.4 | Confident | 89 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 111.9 | -162.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K272 | G222-K272 PolarHBondContact O-NZ 3.43Š|
| 223 | R | 90.9 | Very high | 89.9 | Confident | 183 Ų | 183 | 66.5 Ų | 66.5 | 69% | 0.691 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -126.1 | 11.4 | -172.3 | -64.3 | 88.7 | -175.4 | 170.6 | 1.2 | 113 | Y225 K285 | R223-Y225 PolarHBondContact O-N 3.37Å; R223-K285 PolarHBondContact O-NZ 2.94Å |
| 224 | N | 94.2 | Very high | 90.4 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 33% | 0.332 | S | S | . | . | trans | -91.3 | 71.6 | 176.1 | -70.3 | -13.5 | 0 | 0 | 0 | 109.7 | K226 Q227 L228 | N224-K226 PolarHBondContact O-N 3.44Å; N224-Q227 HydrophobicContact CB-CB 4.14Å; N224-Q227 HydrophobicContact CB-CG 4.34Å; N224-Q227 PolarHBondContact ND2-OE1 3.07Å; N224-Q227 PolarHBondContact O-N 3.07Å; N224-L228 HydrophobicContact CB-CD1 4.4Å; N224-L228 WeakPolarHBondContact O-CD1 3.25Å; N224-L228 PolarHBondContact O-N 3.31Å | ||
| 225 | Y | 93.4 | Very high | 90.9 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.8 | -32.3 | -173.4 | -53.3 | -60.8 | 0 | 0 | 0 | 114 | R223 L229 L278 K285 | R223-Y225 PolarHBondContact O-N 3.37Å; Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.22Å; Y225-L229 PolarHBondContact O-N 3.29Å; Y225-L278 HydrophobicContact CD1-CD2 3.85Å; Y225-K285 HydrophobicContact CD2-CD 3.95Å; Y225-K285 HydrophobicContact CE2-CD 4.09Å |
| 226 | K | 94.4 | Very high | 91.7 | Very high | 141 Ų | 141 | 67.7 Ų | 67.7 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.1 | -47.9 | 174.4 | -65.9 | -171 | 175.5 | -160.1 | 0 | 113 | N224 L228 L229 S230 L282 | N224-K226 PolarHBondContact O-N 3.44Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L229 PolarHBondContact O-N 3.46Å; K226-S230 PolarHBondContact O-N 3.19Å; K226-S230 VanDerWaalsContact O-N 3.09Å; K226-L282 HydrophobicContact CG-CD1 3.64Å |
| 227 | Q | 94.1 | Very high | 92.4 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 178.5 | -69.4 | 177.4 | -21 | 0 | 0 | 111.3 | N224 R231 | N224-Q227 HydrophobicContact CB-CB 4.14Å; N224-Q227 HydrophobicContact CB-CG 4.34Å; N224-Q227 PolarHBondContact ND2-OE1 3.07Å; N224-Q227 PolarHBondContact O-N 3.07Å; Q227-R231 VanDerWaalsContact O-CG 3.29Å; Q227-R231 WeakPolarHBondContact O-CG 3.46Å; Q227-R231 PolarHBondContact O-N 2.92Å; Q227-R231 VanDerWaalsContact O-N 3.1Å |
| 228 | L | 94.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 175.4 | -87.3 | 72.9 | 0 | 0 | 0 | 110.2 | L220 N224 K226 S230 R231 V232 K272 L278 | L220-L228 HydrophobicContact CG-CG 4.47Å; N224-L228 HydrophobicContact CB-CD1 4.4Å; N224-L228 WeakPolarHBondContact O-CD1 3.25Å; N224-L228 PolarHBondContact O-N 3.31Å; K226-L228 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 2.96Å; L228-R231 WeakPolarHBondContact O-CB 3.45Å; L228-R231 PolarHBondContact O-N 3.15Å; L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.35Å; L228-K272 HydrophobicContact CD2-CB 3.89Å; L228-K272 HydrophobicContact CD2-CD 4.21Å; L228-L278 HydrophobicContact CB-CD1 3.91Å; L228-L278 HydrophobicContact CB-CD2 3.85Å; L228-L278 HydrophobicContact CD2-CD2 3.78Å; L228-L278 HydrophobicContact CG-CD2 4.48Å |
| 229 | L | 95.7 | Very high | 93.1 | Very high | 24 Ų | 24 | 66.5 Ų | 66.5 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 178.7 | -170.1 | 68.8 | 0 | 0 | 0 | 111.5 | Y225 K226 R231 V232 E233 E275 L278 R279 | Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.22Å; Y225-L229 PolarHBondContact O-N 3.29Å; K226-L229 PolarHBondContact O-N 3.46Å; L229-R231 PolarHBondContact O-N 3.28Å; L229-V232 PolarHBondContact O-N 3.18Å; L229-E233 HydrophobicContact CG-CG 4.5Å; L229-E233 WeakPolarHBondContact CG-OE1 3.47Å; L229-E233 WeakPolarHBondContact O-CG 3.29Å; L229-E233 PolarHBondContact O-N 2.97Å; L229-E275 HydrophobicContact CD1-CB 4.21Å; L229-E275 HydrophobicContact CD1-CG 4.31Å; L229-L278 HydrophobicContact CD1-CB 4.35Å; L229-R279 HydrophobicContact CD1-CG 3.96Å; L229-R279 HydrophobicContact CD2-CG 4.07Å |
| 230 | S | 95.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 69.8 Ų | 69.8 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.5 | -33.4 | 175.7 | 167.6 | 0 | 0 | 0 | 0 | 113.3 | K226 L228 A234 | K226-S230 PolarHBondContact O-N 3.19Å; K226-S230 VanDerWaalsContact O-N 3.09Å; L228-S230 PolarHBondContact O-N 2.96Å; S230-A234 WeakPolarHBondContact O-CB 3.35Å; S230-A234 PolarHBondContact O-N 3.23Å |
| 231 | R | 94.6 | Very high | 93.5 | Very high | 116 Ų | 116 | 76.7 Ų | 76.7 | 44% | 0.438 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.6 | -34.3 | 175 | -74.6 | 179.7 | -177.8 | 132.5 | 0.9 | 113.1 | L220 Q227 L228 L229 R235 | L220-R231 HydrophobicContact CD1-CB 4.01Å; L220-R231 HydrophobicContact CD2-CB 4.47Å; L220-R231 HydrophobicContact CG-CB 4.5Å; Q227-R231 VanDerWaalsContact O-CG 3.29Å; Q227-R231 WeakPolarHBondContact O-CG 3.46Å; Q227-R231 PolarHBondContact O-N 2.92Å; Q227-R231 VanDerWaalsContact O-N 3.1Å; L228-R231 WeakPolarHBondContact O-CB 3.45Å; L228-R231 PolarHBondContact O-N 3.15Å; L229-R231 PolarHBondContact O-N 3.28Å; R231-R235 VanDerWaalsContact O-CG 3.28Å; R231-R235 WeakPolarHBondContact O-CG 3.45Å; R231-R235 PolarHBondContact O-N 2.93Å; R231-R235 VanDerWaalsContact O-N 3.13Å |
| 232 | V | 94.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 76.3 Ų | 76.3 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.8 | -48.6 | 174.4 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | L220 L228 L229 A234 R235 K236 E275 L278 | L220-V232 HydrophobicContact CD2-CB 4.42Å; L220-V232 HydrophobicContact CD2-CG2 3.23Å; L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.35Å; L229-V232 PolarHBondContact O-N 3.18Å; V232-A234 PolarHBondContact O-N 2.89Å; V232-R235 WeakPolarHBondContact O-CA 3.35Å; V232-R235 WeakPolarHBondContact O-CB 3.25Å; V232-R235 PolarHBondContact O-N 3.48Å; V232-K236 PolarHBondContact O-N 3.3Å; V232-E275 HydrophobicContact CB-CG 4.11Å; V232-E275 HydrophobicContact CG1-CG 3.46Å; V232-E275 VanDerWaalsContact CG1-CG 3.46Å; V232-E275 WeakPolarHBondContact CG1-OE1 3.47Å; V232-L278 HydrophobicContact CG2-CD1 3.79Å |
| 233 | E | 94.4 | Very high | 94 | Very high | 64 Ų | 64 | 81.6 Ų | 81.6 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.8 | -50 | 177.6 | -70.5 | 166.5 | 170.2 | 0 | 0 | 110.3 | L229 R235 K236 E237 R279 | L229-E233 HydrophobicContact CG-CG 4.5Å; L229-E233 WeakPolarHBondContact CG-OE1 3.47Å; L229-E233 WeakPolarHBondContact O-CG 3.29Å; L229-E233 PolarHBondContact O-N 2.97Å; E233-R235 PolarHBondContact O-N 3.34Å; E233-R235 VanDerWaalsContact O-N 3.15Å; E233-K236 PolarHBondContact O-N 3.47Å; E233-K236 VanDerWaalsContact O-N 3.09Å; E233-E237 WeakPolarHBondContact O-CG 3.5Å; E233-E237 PolarHBondContact O-N 3.11Å; E233-R279 IonicContact OE1-NH2 2.92Å |
| 234 | A | 94.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 80.4 Ų | 80.4 | 31% | 0.306 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -22.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S230 V232 K238 | S230-A234 WeakPolarHBondContact O-CB 3.35Å; S230-A234 PolarHBondContact O-N 3.23Å; V232-A234 PolarHBondContact O-N 2.89Å; A234-K238 VanDerWaalsContact O-CD 3.31Å; A234-K238 WeakPolarHBondContact O-CD 3.31Å; A234-K238 WeakPolarHBondContact O-CG 3.38Å; A234-K238 PolarHBondContact O-N 2.9Å |
| 235 | R | 92.7 | Very high | 94.1 | Very high | 52 Ų | 52 | 83.9 Ų | 83.9 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -78.2 | -43.5 | 172.3 | -79.8 | 175.1 | -180 | -168 | -1.6 | 111 | T218 L220 R231 V232 E233 K238 L239 | T218-R235 PolarHBondContact O-NH2 3.44Å; L220-R235 VanDerWaalsContact CD1-CZ 3.48Å; R231-R235 VanDerWaalsContact O-CG 3.28Å; R231-R235 WeakPolarHBondContact O-CG 3.45Å; R231-R235 PolarHBondContact O-N 2.93Å; R231-R235 VanDerWaalsContact O-N 3.13Å; V232-R235 WeakPolarHBondContact O-CA 3.35Å; V232-R235 WeakPolarHBondContact O-CB 3.25Å; V232-R235 PolarHBondContact O-N 3.48Å; E233-R235 PolarHBondContact O-N 3.34Å; E233-R235 VanDerWaalsContact O-N 3.15Å; R235-K238 PolarHBondContact O-N 3.06Å; R235-L239 WeakPolarHBondContact O-CG 3.5Å; R235-L239 PolarHBondContact O-N 3.1Å |
| 236 | K | 93.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 85.2 Ų | 85.2 | 39% | 0.391 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 176.5 | -70 | -166.3 | -178.5 | 179.6 | 0 | 111.3 | V232 E233 K238 L239 E240 E275 | V232-K236 PolarHBondContact O-N 3.3Å; E233-K236 PolarHBondContact O-N 3.47Å; E233-K236 VanDerWaalsContact O-N 3.09Å; K236-K238 PolarHBondContact O-N 3.5Å; K236-L239 CarbonylContact O-C 3.5Å; K236-L239 WeakPolarHBondContact O-CA 3.46Å; K236-L239 WeakPolarHBondContact O-CB 3.4Å; K236-L239 PolarHBondContact O-N 2.83Å; K236-E240 WeakPolarHBondContact O-CG 3.36Å; K236-E240 PolarHBondContact O-N 3.06Å; K236-E275 WeakPolarHBondContact CD-OE1 3.43Å; K236-E275 WeakPolarHBondContact CE-OE1 3.36Å; K236-E275 IonicContact NZ-OE1 2.71Å; K236-E275 PolarHBondContact NZ-OE1 3.35Å; K236-E275 IonicContact NZ-OE2 2.65Å; K236-E275 PolarHBondContact NZ-OE2 3.25Å |
| 237 | E | 95 | Very high | 94 | Very high | 90 Ų | 90 | 85.5 Ų | 85.5 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57 | -38.6 | 176.1 | -71.7 | 175.8 | -159.2 | 0 | 0 | 112.2 | E233 R241 | E233-E237 WeakPolarHBondContact O-CG 3.5Å; E233-E237 PolarHBondContact O-N 3.11Å; E237-R241 VanDerWaalsContact O-CB 3.32Å; E237-R241 WeakPolarHBondContact O-CB 3.43Å; E237-R241 WeakPolarHBondContact O-CG 3.4Å; E237-R241 PolarHBondContact O-N 3.19Å; E237-R241 IonicContact OE2-NH2 3.88Å |
| 238 | K | 93.1 | Very high | 94 | Very high | 136 Ų | 136 | 83.9 Ų | 83.9 | 59% | 0.591 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.7 | -38 | 176.4 | -77.1 | 173.3 | -172.8 | -174.9 | 0 | 112.5 | A234 R235 K236 L242 | A234-K238 VanDerWaalsContact O-CD 3.31Å; A234-K238 WeakPolarHBondContact O-CD 3.31Å; A234-K238 WeakPolarHBondContact O-CG 3.38Å; A234-K238 PolarHBondContact O-N 2.9Å; R235-K238 PolarHBondContact O-N 3.06Å; K236-K238 PolarHBondContact O-N 3.5Å; K238-L242 WeakPolarHBondContact O-CB 3.28Å; K238-L242 VanDerWaalsContact O-CG 3.28Å; K238-L242 WeakPolarHBondContact O-CG 3.17Å; K238-L242 PolarHBondContact O-N 3.47Å |
| 239 | L | 93.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 89.2 Ų | 89.2 | 15% | 0.152 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 176.2 | -72 | 174.9 | 0 | 0 | 0 | 110.6 | R235 K236 L242 R243 L253 E254 I257 | R235-L239 WeakPolarHBondContact O-CG 3.5Å; R235-L239 PolarHBondContact O-N 3.1Å; K236-L239 CarbonylContact O-C 3.5Å; K236-L239 WeakPolarHBondContact O-CA 3.46Å; K236-L239 WeakPolarHBondContact O-CB 3.4Å; K236-L239 PolarHBondContact O-N 2.83Å; L239-L242 CarbonylContact O-C 3.26Å; L239-L242 PolarHBondContact O-N 2.99Å; L239-L242 VanDerWaalsContact O-N 3.12Å; L239-R243 WeakPolarHBondContact O-CG 3.29Å; L239-R243 PolarHBondContact O-N 3.41Å; L239-L253 HydrophobicContact CD2-CB 4.03Å; L239-E254 HydrophobicContact CD1-CG 3.75Å; L239-E254 HydrophobicContact CD2-CG 3.77Å; L239-E254 HydrophobicContact CG-CG 4.33Å; L239-I257 HydrophobicContact CD1-CD1 4.23Å; L239-I257 HydrophobicContact CD2-CD1 4.33Å |
| 240 | E | 94.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 88 Ų | 88 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 176.5 | -72.3 | 169.2 | -178.7 | 0 | 0 | 111.4 | K236 L242 R243 E244 | K236-E240 WeakPolarHBondContact O-CG 3.36Å; K236-E240 PolarHBondContact O-N 3.06Å; E240-L242 PolarHBondContact O-N 2.91Å; E240-L242 VanDerWaalsContact O-N 3.13Å; E240-R243 PolarHBondContact O-N 3.21Å; E240-E244 WeakPolarHBondContact O-CG 3.45Å; E240-E244 PolarHBondContact O-N 3.44Å |
| 241 | R | 93.9 | Very high | 93.7 | Very high | 148 Ų | 148 | 87 Ų | 87 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.3 | -26.3 | 174.5 | -72.9 | 175.8 | -166.1 | 178.3 | 10 | 113.9 | E237 K245 | E237-R241 VanDerWaalsContact O-CB 3.32Å; E237-R241 WeakPolarHBondContact O-CB 3.43Å; E237-R241 WeakPolarHBondContact O-CG 3.4Å; E237-R241 PolarHBondContact O-N 3.19Å; E237-R241 IonicContact OE2-NH2 3.88Å; R241-K245 WeakPolarHBondContact O-CG 3.24Å |
| 242 | L | 93.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 87.9 Ų | 87.9 | 27% | 0.272 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -85.6 | -35.9 | 175.2 | -75.6 | 173.4 | 0 | 0 | 0 | 111.6 | K238 L239 E240 E244 K245 D246 A250 L253 | K238-L242 WeakPolarHBondContact O-CB 3.28Å; K238-L242 VanDerWaalsContact O-CG 3.28Å; K238-L242 WeakPolarHBondContact O-CG 3.17Å; K238-L242 PolarHBondContact O-N 3.47Å; L239-L242 CarbonylContact O-C 3.26Å; L239-L242 PolarHBondContact O-N 2.99Å; L239-L242 VanDerWaalsContact O-N 3.12Å; E240-L242 PolarHBondContact O-N 2.91Å; E240-L242 VanDerWaalsContact O-N 3.13Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 2.8Å; L242-K245 PolarHBondContact O-N 3.5Å; L242-K245 VanDerWaalsContact O-N 3.15Å; L242-D246 CarbonylContact O-C 3.59Å; L242-D246 VanDerWaalsContact O-C 3.26Å; L242-D246 WeakPolarHBondContact O-CA 3.2Å; L242-D246 PolarHBondContact O-N 2.87Å; L242-A250 HydrophobicContact CB-CB 4.17Å; L242-L253 HydrophobicContact CD1-CD1 3.23Å |
| 243 | R | 93.4 | Very high | 93.5 | Very high | 134 Ų | 134 | 90.6 Ų | 90.6 | 51% | 0.506 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 173 | -73.6 | 177.7 | -179.1 | -173.8 | -7.7 | 111.5 | L239 E240 K245 A250 E254 | L239-R243 WeakPolarHBondContact O-CG 3.29Å; L239-R243 PolarHBondContact O-N 3.41Å; E240-R243 PolarHBondContact O-N 3.21Å; R243-K245 PolarHBondContact O-N 2.81Å; R243-A250 HydrophobicContact CB-CB 4.25Å; R243-A250 HydrophobicContact CG-CB 3.43Å; R243-A250 VanDerWaalsContact CG-CB 3.43Å; R243-E254 IonicContact CZ-OE1 3.12Å; R243-E254 IonicContact NE-OE1 2.85Å; R243-E254 PolarHBondContact NE-OE1 2.87Å; R243-E254 IonicContact NH2-OE1 2.65Å; R243-E254 PolarHBondContact NH2-OE1 3.06Å; R243-E254 IonicContact NH2-OE2 3.19Å; R243-E254 PolarHBondContact NH2-OE2 2.73Å |
| 244 | E | 93.4 | Very high | 93.5 | Very high | 158 Ų | 158 | 89.1 Ų | 89.1 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.6 | 175.5 | -72.2 | 169.3 | -171.4 | 0 | 0 | 113.3 | E240 L242 | E240-E244 WeakPolarHBondContact O-CG 3.45Å; E240-E244 PolarHBondContact O-N 3.44Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 2.8Å |
| 245 | K | 93.5 | Very high | 93.5 | Very high | 161 Ų | 161 | 91 Ų | 91 | 70% | 0.7 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -54.3 | -179.2 | -66.7 | 178.5 | -177 | -171.4 | 0 | 112 | R241 L242 R243 | R241-K245 WeakPolarHBondContact O-CG 3.24Å; L242-K245 PolarHBondContact O-N 3.5Å; L242-K245 VanDerWaalsContact O-N 3.15Å; R243-K245 PolarHBondContact O-N 2.81Å |
| 246 | D | 93.4 | Very high | 93.5 | Very high | 70 Ų | 70 | 93.3 Ų | 93.3 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | trans | -147.7 | 100.5 | -170.8 | -67.5 | -43 | 0 | 0 | 0 | 110.6 | L242 A248 K249 A250 | L242-D246 CarbonylContact O-C 3.59Å; L242-D246 VanDerWaalsContact O-C 3.26Å; L242-D246 WeakPolarHBondContact O-CA 3.2Å; L242-D246 PolarHBondContact O-N 2.87Å; D246-A248 VanDerWaalsContact C-N 3.33Å; D246-A248 PolarHBondContact O-N 2.83Å; D246-K249 HydrophobicContact CB-CB 4.05Å; D246-K249 HydrophobicContact CB-CD 3.95Å; D246-K249 HydrophobicContact CB-CG 4.06Å; D246-K249 PolarHBondContact O-N 3.01Å; D246-K249 WeakPolarHBondContact OD2-CD 3.49Å; D246-K249 WeakPolarHBondContact OD2-CE 3.43Å; D246-K249 IonicContact OD2-NZ 3.5Å; D246-K249 PolarHBondContact OD2-NZ 2.74Å; D246-A250 PolarHBondContact O-N 3.03Å; D246-A250 VanDerWaalsContact O-N 3.15Å | ||
| 247 | E | 93.7 | Very high | 93.5 | Very high | 148 Ų | 148 | 91 Ų | 91 | 69% | 0.692 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.9 | -36.1 | -179.1 | -172.6 | 172.2 | -166.1 | 0 | 0 | 113.4 | A250 S251 | E247-A250 PolarHBondContact O-N 3.34Å; E247-S251 WeakPolarHBondContact O-CB 3.44Å; E247-S251 PolarHBondContact O-N 3.29Å; E247-S251 PolarHBondContact O-OG 2.94Å |
| 248 | A | 93.4 | Very high | 93.4 | Very high | 68 Ų | 68 | 92.2 Ų | 92.2 | 56% | 0.562 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.5 | -47.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D246 A250 S251 E252 | D246-A248 VanDerWaalsContact C-N 3.33Å; D246-A248 PolarHBondContact O-N 2.83Å; A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 3.33Å; A248-S251 WeakPolarHBondContact O-CB 3.35Å; A248-S251 PolarHBondContact O-N 2.96Å; A248-E252 WeakPolarHBondContact O-CG 3.23Å; A248-E252 PolarHBondContact O-N 3.48Å |
| 249 | K | 93.1 | Very high | 93.5 | Very high | 114 Ų | 114 | 94.2 Ų | 94.2 | 50% | 0.496 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | 178.2 | -65.6 | -179.5 | -168.7 | 152.4 | 0 | 111.7 | D246 L253 | D246-K249 HydrophobicContact CB-CB 4.05Å; D246-K249 HydrophobicContact CB-CD 3.95Å; D246-K249 HydrophobicContact CB-CG 4.06Å; D246-K249 PolarHBondContact O-N 3.01Å; D246-K249 WeakPolarHBondContact OD2-CD 3.49Å; D246-K249 WeakPolarHBondContact OD2-CE 3.43Å; D246-K249 IonicContact OD2-NZ 3.5Å; D246-K249 PolarHBondContact OD2-NZ 2.74Å; K249-L253 WeakPolarHBondContact O-CG 3.33Å; K249-L253 PolarHBondContact O-N 3.24Å; K249-L253 VanDerWaalsContact O-N 3.08Å |
| 250 | A | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 93.5 Ų | 93.5 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L242 R243 D246 E247 A248 E252 L253 E254 | L242-A250 HydrophobicContact CB-CB 4.17Å; R243-A250 HydrophobicContact CB-CB 4.25Å; R243-A250 HydrophobicContact CG-CB 3.43Å; R243-A250 VanDerWaalsContact CG-CB 3.43Å; D246-A250 PolarHBondContact O-N 3.03Å; D246-A250 VanDerWaalsContact O-N 3.15Å; E247-A250 PolarHBondContact O-N 3.34Å; A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 3.33Å; A250-E252 PolarHBondContact O-N 3.01Å; A250-L253 PolarHBondContact O-N 3.41Å; A250-E254 WeakPolarHBondContact O-CG 3.49Å; A250-E254 PolarHBondContact O-N 3.44Å |
| 251 | S | 93.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 89.9 Ų | 89.9 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.8 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | E247 A248 E254 N255 | E247-S251 WeakPolarHBondContact O-CB 3.44Å; E247-S251 PolarHBondContact O-N 3.29Å; E247-S251 PolarHBondContact O-OG 2.94Å; A248-S251 WeakPolarHBondContact O-CB 3.35Å; A248-S251 PolarHBondContact O-N 2.96Å; S251-E254 PolarHBondContact O-N 3.21Å; S251-N255 WeakPolarHBondContact O-CB 3.5Å; S251-N255 PolarHBondContact O-N 3.11Å; S251-N255 PolarHBondContact O-ND2 2.9Å |
| 252 | E | 94.2 | Very high | 93.5 | Very high | 133 Ų | 133 | 87.3 Ų | 87.3 | 62% | 0.621 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.8 | -44.7 | 173.9 | -73 | 176.4 | -171.1 | 0 | 0 | 112.5 | A248 A250 N255 K256 | A248-E252 WeakPolarHBondContact O-CG 3.23Å; A248-E252 PolarHBondContact O-N 3.48Å; A250-E252 PolarHBondContact O-N 3.01Å; E252-N255 PolarHBondContact O-N 3.4Å; E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 2.97Å |
| 253 | L | 91.4 | Very high | 93.5 | Very high | 68 Ų | 68 | 89.1 Ų | 89.1 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 177.5 | -75.4 | -174.8 | 0 | 0 | 0 | 112.5 | L239 L242 K249 A250 N255 K256 I257 | L239-L253 HydrophobicContact CD2-CB 4.03Å; L242-L253 HydrophobicContact CD1-CD1 3.23Å; K249-L253 WeakPolarHBondContact O-CG 3.33Å; K249-L253 PolarHBondContact O-N 3.24Å; K249-L253 VanDerWaalsContact O-N 3.08Å; A250-L253 PolarHBondContact O-N 3.41Å; L253-N255 VanDerWaalsContact C-N 3.34Å; L253-K256 PolarHBondContact O-N 3.01Å; L253-I257 VanDerWaalsContact O-CG1 3.25Å; L253-I257 WeakPolarHBondContact O-CG1 3.33Å; L253-I257 PolarHBondContact O-N 3.04Å |
| 254 | E | 92.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 83 Ų | 83 | 15% | 0.15 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 173.1 | -77.9 | 176.8 | -147 | 0 | 0 | 111.5 | L239 R243 A250 S251 K256 I257 K258 | L239-E254 HydrophobicContact CD1-CG 3.75Å; L239-E254 HydrophobicContact CD2-CG 3.77Å; L239-E254 HydrophobicContact CG-CG 4.33Å; R243-E254 IonicContact CZ-OE1 3.12Å; R243-E254 IonicContact NE-OE1 2.85Å; R243-E254 PolarHBondContact NE-OE1 2.87Å; R243-E254 IonicContact NH2-OE1 2.65Å; R243-E254 PolarHBondContact NH2-OE1 3.06Å; R243-E254 IonicContact NH2-OE2 3.19Å; R243-E254 PolarHBondContact NH2-OE2 2.73Å; A250-E254 WeakPolarHBondContact O-CG 3.49Å; A250-E254 PolarHBondContact O-N 3.44Å; S251-E254 PolarHBondContact O-N 3.21Å; E254-K256 VanDerWaalsContact C-N 3.33Å; E254-K256 PolarHBondContact O-N 2.88Å; E254-I257 PolarHBondContact O-N 3.41Å; E254-K258 WeakPolarHBondContact O-CB 3.49Å; E254-K258 VanDerWaalsContact O-CG 3.27Å; E254-K258 WeakPolarHBondContact O-CG 3.49Å; E254-K258 PolarHBondContact O-N 2.88Å |
| 255 | N | 94.8 | Very high | 93.6 | Very high | 77 Ų | 77 | 81.3 Ų | 81.3 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.1 | -70.2 | -20.7 | 0 | 0 | 0 | 110.6 | S251 E252 L253 I257 K258 W259 | S251-N255 WeakPolarHBondContact O-CB 3.5Å; S251-N255 PolarHBondContact O-N 3.11Å; S251-N255 PolarHBondContact O-ND2 2.9Å; E252-N255 PolarHBondContact O-N 3.4Å; L253-N255 VanDerWaalsContact C-N 3.34Å; N255-I257 VanDerWaalsContact C-N 3.34Å; N255-I257 PolarHBondContact O-N 3.38Å; N255-K258 PolarHBondContact O-N 3.33Å; N255-W259 WeakPolarHBondContact O-CB 3.38Å; N255-W259 PolarHBondContact O-N 3.21Å |
| 256 | K | 93.7 | Very high | 93.6 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.1 | -170 | 174.4 | -177.1 | 169.2 | 0 | 112.2 | G215 I217 E252 L253 E254 T260 | G215-K256 WeakPolarHBondContact O-CE 3.49Å; I217-K256 HydrophobicContact CD1-CG 4.08Å; E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 2.97Å; L253-K256 PolarHBondContact O-N 3.01Å; E254-K256 VanDerWaalsContact C-N 3.33Å; E254-K256 PolarHBondContact O-N 2.88Å; K256-T260 WeakPolarHBondContact O-CB 3.44Å; K256-T260 VanDerWaalsContact O-CG2 3.3Å; K256-T260 WeakPolarHBondContact O-CG2 3.21Å; K256-T260 PolarHBondContact O-N 2.95Å; K256-T260 PolarHBondContact O-OG1 3.22Å |
| 257 | I | 92.8 | Very high | 93.6 | Very high | 43 Ų | 43 | 80 Ų | 80 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.4 | -68.6 | 163.1 | 0 | 0 | 0 | 110.7 | I217 L239 L253 E254 N255 T260 N261 | I217-I257 HydrophobicContact CD1-CG1 3.84Å; L239-I257 HydrophobicContact CD1-CD1 4.23Å; L239-I257 HydrophobicContact CD2-CD1 4.33Å; L253-I257 VanDerWaalsContact O-CG1 3.25Å; L253-I257 WeakPolarHBondContact O-CG1 3.33Å; L253-I257 PolarHBondContact O-N 3.04Å; E254-I257 PolarHBondContact O-N 3.41Å; N255-I257 VanDerWaalsContact C-N 3.34Å; N255-I257 PolarHBondContact O-N 3.38Å; I257-T260 WeakPolarHBondContact CA-OG1 3.31Å; I257-T260 PolarHBondContact O-OG1 3.14Å; I257-T260 VanDerWaalsContact O-OG1 3.05Å; I257-N261 WeakPolarHBondContact O-CB 3.43Å; I257-N261 PolarHBondContact O-N 3.24Å |
| 258 | K | 93.3 | Very high | 93.5 | Very high | 115 Ų | 115 | 75.6 Ų | 75.6 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 178.1 | -71.1 | 168.3 | -172.6 | 169.5 | 0 | 111.4 | E254 N255 N261 M262 | E254-K258 WeakPolarHBondContact O-CB 3.49Å; E254-K258 VanDerWaalsContact O-CG 3.27Å; E254-K258 WeakPolarHBondContact O-CG 3.49Å; E254-K258 PolarHBondContact O-N 2.88Å; N255-K258 PolarHBondContact O-N 3.33Å; K258-N261 WeakPolarHBondContact O-CB 3.49Å; K258-N261 PolarHBondContact O-N 2.92Å; K258-M262 WeakPolarHBondContact O-CG 3.41Å; K258-M262 PolarHBondContact O-N 2.73Å |
| 259 | W | 94.3 | Very high | 93.5 | Very high | 178 Ų | 178 | 74.6 Ų | 74.6 | 67% | 0.674 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 179 | -74.5 | 115.3 | 0 | 0 | 0 | 112.7 | N255 N261 M262 L263 | N255-W259 WeakPolarHBondContact O-CB 3.38Å; N255-W259 PolarHBondContact O-N 3.21Å; W259-N261 VanDerWaalsContact C-N 3.33Å; W259-N261 PolarHBondContact O-N 3.21Å; W259-M262 HydrophobicContact CD2-CE 3.67Å; W259-M262 HydrophobicContact CE3-CE 3.19Å; W259-M262 HydrophobicContact CG-CE 4.42Å; W259-M262 HydrophobicContact CH2-CE 3.92Å; W259-M262 HydrophobicContact CZ2-CE 4.35Å; W259-M262 HydrophobicContact CZ3-CE 3.33Å; W259-M262 PolarHBondContact O-N 3.29Å; W259-L263 PolarHBondContact O-N 3.29Å |
| 260 | T | 93.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 77.7 Ų | 77.7 | 8% | 0.08 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | I217 K256 I257 L263 Y264 | I217-T260 HydrophobicContact CD1-CG2 4.02Å; I217-T260 WeakPolarHBondContact CD1-OG1 3.32Å; K256-T260 WeakPolarHBondContact O-CB 3.44Å; K256-T260 VanDerWaalsContact O-CG2 3.3Å; K256-T260 WeakPolarHBondContact O-CG2 3.21Å; K256-T260 PolarHBondContact O-N 2.95Å; K256-T260 PolarHBondContact O-OG1 3.22Å; I257-T260 WeakPolarHBondContact CA-OG1 3.31Å; I257-T260 PolarHBondContact O-OG1 3.14Å; I257-T260 VanDerWaalsContact O-OG1 3.05Å; T260-L263 PolarHBondContact O-N 3.08Å; T260-Y264 WeakPolarHBondContact O-CD2 3.35Å; T260-Y264 PolarHBondContact O-N 3.27Å |
| 261 | N | 93.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.1 | -168.7 | -7.6 | 0 | 0 | 0 | 111.4 | I257 K258 W259 L263 Y264 K265 I271 D273 | I257-N261 WeakPolarHBondContact O-CB 3.43Å; I257-N261 PolarHBondContact O-N 3.24Å; K258-N261 WeakPolarHBondContact O-CB 3.49Å; K258-N261 PolarHBondContact O-N 2.92Å; W259-N261 VanDerWaalsContact C-N 3.33Å; W259-N261 PolarHBondContact O-N 3.21Å; N261-L263 VanDerWaalsContact C-N 3.34Å; N261-L263 PolarHBondContact O-N 3.17Å; N261-Y264 PolarHBondContact O-N 3.16Å; N261-K265 WeakPolarHBondContact O-CB 3.47Å; N261-K265 WeakPolarHBondContact O-CG 3.44Å; N261-K265 PolarHBondContact O-N 3.03Å; N261-K265 WeakPolarHBondContact OD1-CE 3.3Å; N261-I271 HydrophobicContact CB-CD1 4.32Å; N261-I271 WeakPolarHBondContact OD1-CB 3.33Å; N261-I271 WeakPolarHBondContact OD1-CD1 3.35Å; N261-I271 WeakPolarHBondContact OD1-CG2 3.42Å; N261-D273 PolarHBondContact ND2-OD2 2.84Å |
| 262 | M | 94.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 79.6 Ų | 79.6 | 46% | 0.458 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 174.7 | -71.4 | -165.2 | -69 | 0 | 0 | 112.2 | K258 W259 Y264 K265 A266 | K258-M262 WeakPolarHBondContact O-CG 3.41Å; K258-M262 PolarHBondContact O-N 2.73Å; W259-M262 HydrophobicContact CD2-CE 3.67Å; W259-M262 HydrophobicContact CE3-CE 3.19Å; W259-M262 HydrophobicContact CG-CE 4.42Å; W259-M262 HydrophobicContact CH2-CE 3.92Å; W259-M262 HydrophobicContact CZ2-CE 4.35Å; W259-M262 HydrophobicContact CZ3-CE 3.33Å; W259-M262 PolarHBondContact O-N 3.29Å; M262-Y264 VanDerWaalsContact C-N 3.34Å; M262-Y264 PolarHBondContact O-N 3.08Å; M262-K265 PolarHBondContact O-N 2.99Å; M262-A266 WeakPolarHBondContact O-CB 3.4Å; M262-A266 PolarHBondContact O-N 3.27Å |
| 263 | L | 94.4 | Very high | 93.3 | Very high | 90 Ų | 90 | 75 Ų | 75 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 178.6 | -173.2 | 61.6 | 0 | 0 | 0 | 112.7 | K214 W259 T260 N261 E267 | K214-L263 HydrophobicContact CB-CD2 4.31Å; K214-L263 HydrophobicContact CD-CD2 3.59Å; K214-L263 HydrophobicContact CD-CG 3.81Å; K214-L263 HydrophobicContact CG-CD2 4.13Å; W259-L263 PolarHBondContact O-N 3.29Å; T260-L263 PolarHBondContact O-N 3.08Å; N261-L263 VanDerWaalsContact C-N 3.34Å; N261-L263 PolarHBondContact O-N 3.17Å; L263-E267 PolarHBondContact O-N 3.23Å; L263-E267 VanDerWaalsContact O-N 3.13Å |
| 264 | Y | 94.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 76 Ų | 76 | 3% | 0.027 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 173.8 | -75.8 | -53.6 | 0 | 0 | 0 | 112.8 | E213 K214 I217 P219 T260 N261 M262 A266 E267 G268 I269 I271 | E213-Y264 WeakPolarHBondContact CA-OH 3.44Å; K214-Y264 HydrophobicContact CB-CE1 4.02Å; K214-Y264 HydrophobicContact CB-CE2 4.27Å; K214-Y264 HydrophobicContact CD-CD1 3.8Å; K214-Y264 HydrophobicContact CD-CE1 3.61Å; K214-Y264 HydrophobicContact CG-CE1 4.03Å; K214-Y264 PolarHBondContact N-OH 2.97Å; K214-Y264 PolarHBondContact O-OH 3.01Å; I217-Y264 WeakPolarHBondContact O-CE2 3.47Å; I217-Y264 PolarHBondContact O-OH 2.86Å; P219-Y264 HydrophobicContact CB-CD1 4.35Å; P219-Y264 HydrophobicContact CB-CD2 4.02Å; P219-Y264 HydrophobicContact CB-CE1 4.34Å; P219-Y264 HydrophobicContact CB-CE2 4.05Å; P219-Y264 HydrophobicContact CB-CG 4.17Å; P219-Y264 HydrophobicContact CG-CE1 4.16Å; P219-Y264 HydrophobicContact CG-CE2 4.45Å; T260-Y264 WeakPolarHBondContact O-CD2 3.35Å; T260-Y264 PolarHBondContact O-N 3.27Å; N261-Y264 PolarHBondContact O-N 3.16Å; M262-Y264 VanDerWaalsContact C-N 3.34Å; M262-Y264 PolarHBondContact O-N 3.08Å; Y264-A266 VanDerWaalsContact C-N 3.31Å; Y264-E267 WeakPolarHBondContact O-CB 3.35Å; Y264-E267 PolarHBondContact O-N 3.11Å; Y264-G268 PolarHBondContact O-N 3.43Å; Y264-I269 HydrophobicContact CD1-CD1 3.82Å; Y264-I269 HydrophobicContact CE1-CD1 4.41Å; Y264-I269 WeakPolarHBondContact O-CB 3.32Å; Y264-I269 PolarHBondContact O-N 3.44Å; Y264-I271 HydrophobicContact CD2-CD1 3.94Å; Y264-I271 HydrophobicContact CG-CD1 4.04Å |
| 265 | K | 94.1 | Very high | 93.4 | Very high | 122 Ų | 122 | 76 Ų | 76 | 53% | 0.53 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63 | -40 | 173.4 | -77 | 172.5 | 175.3 | 172.1 | 0 | 111 | N261 M262 E267 G268 | N261-K265 WeakPolarHBondContact O-CB 3.47Å; N261-K265 WeakPolarHBondContact O-CG 3.44Å; N261-K265 PolarHBondContact O-N 3.03Å; N261-K265 WeakPolarHBondContact OD1-CE 3.3Å; M262-K265 PolarHBondContact O-N 2.99Å; K265-E267 VanDerWaalsContact C-N 3.34Å; K265-G268 WeakPolarHBondContact O-CA 3.22Å; K265-G268 PolarHBondContact O-N 3.35Å |
| 266 | A | 95.1 | Very high | 93.4 | Very high | 88 Ų | 88 | 78.2 Ų | 78.2 | 73% | 0.727 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.7 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M262 Y264 G268 | M262-A266 WeakPolarHBondContact O-CB 3.4Å; M262-A266 PolarHBondContact O-N 3.27Å; Y264-A266 VanDerWaalsContact C-N 3.31Å; A266-G268 PolarHBondContact O-N 2.96Å |
| 267 | E | 92 | Very high | 93.5 | Very high | 114 Ų | 114 | 79.2 Ų | 79.2 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -10.6 | 170.5 | -170.9 | 179.6 | -177.3 | 0 | 0 | 112.9 | K214 L263 Y264 K265 I269 | K214-E267 WeakPolarHBondContact CE-OE2 3.04Å; K214-E267 IonicContact NZ-OE2 2.62Å; K214-E267 PolarHBondContact NZ-OE2 2.99Å; L263-E267 PolarHBondContact O-N 3.23Å; L263-E267 VanDerWaalsContact O-N 3.13Å; Y264-E267 WeakPolarHBondContact O-CB 3.35Å; Y264-E267 PolarHBondContact O-N 3.11Å; K265-E267 VanDerWaalsContact C-N 3.34Å; E267-I269 HydrophobicContact CB-CG1 4.42Å; E267-I269 HydrophobicContact CG-CD1 4.43Å; E267-I269 HydrophobicContact CG-CG1 4.31Å |
| 268 | G | 92.9 | Very high | 93.6 | Very high | 56 Ų | 56 | 77.4 Ų | 77.4 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | 8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y264 K265 A266 K270 | Y264-G268 PolarHBondContact O-N 3.43Å; K265-G268 WeakPolarHBondContact O-CA 3.22Å; K265-G268 PolarHBondContact O-N 3.35Å; A266-G268 PolarHBondContact O-N 2.96Å; G268-K270 PolarHBondContact O-N 3.08Å |
| 269 | I | 91.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 77.3 Ų | 77.3 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | trans | -76.7 | 119.2 | 177.4 | -58 | -174.4 | 0 | 0 | 0 | 109.8 | P219 T221 Y264 E267 I271 | P219-I269 HydrophobicContact CB-CG2 4.18Å; T221-I269 HydrophobicContact CG2-CG2 3.27Å; Y264-I269 HydrophobicContact CD1-CD1 3.82Å; Y264-I269 HydrophobicContact CE1-CD1 4.41Å; Y264-I269 WeakPolarHBondContact O-CB 3.32Å; Y264-I269 PolarHBondContact O-N 3.44Å; E267-I269 HydrophobicContact CB-CG1 4.42Å; E267-I269 HydrophobicContact CG-CD1 4.43Å; E267-I269 HydrophobicContact CG-CG1 4.31Å; I269-I271 HydrophobicContact CG2-CG1 4.34Å; I269-I271 PolarHBondContact O-N 2.92Å | ||
| 270 | K | 93.1 | Very high | 93.9 | Very high | 178 Ų | 178 | 70.4 Ų | 70.4 | 77% | 0.774 | 37% | 0.369 | S | S | * | . | trans | -75.8 | 94.6 | 177.8 | -63.5 | -175.6 | -177.8 | -175.9 | 0 | 111.5 | G268 | G268-K270 PolarHBondContact O-N 3.08Š| ||
| 271 | I | 93.6 | Very high | 94 | Very high | 28 Ų | 28 | 71 Ų | 71 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | trans | -81 | 137.7 | 177 | -66.9 | 176.9 | 0 | 0 | 0 | 110.9 | P219 L220 N261 Y264 I269 D273 | P219-I271 HydrophobicContact CB-CD1 4.41Å; P219-I271 HydrophobicContact CB-CG1 4.38Å; L220-I271 HydrophobicContact CB-CG2 4.4Å; N261-I271 HydrophobicContact CB-CD1 4.32Å; N261-I271 WeakPolarHBondContact OD1-CB 3.33Å; N261-I271 WeakPolarHBondContact OD1-CD1 3.35Å; N261-I271 WeakPolarHBondContact OD1-CG2 3.42Å; Y264-I271 HydrophobicContact CD2-CD1 3.94Å; Y264-I271 HydrophobicContact CG-CD1 4.04Å; I269-I271 HydrophobicContact CG2-CG1 4.34Å; I269-I271 PolarHBondContact O-N 2.92Å; I271-D273 HydrophobicContact CG2-CB 4.41Å; I271-D273 WeakPolarHBondContact CG2-OD1 3.37Å; I271-D273 WeakPolarHBondContact CG2-OD2 3.32Å | ||
| 272 | K | 93.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 27% | 0.27 | 38% | 0.375 | S | S | . | . | trans | -126.8 | 82.2 | -178.3 | -64.7 | 179.6 | -178.7 | -179.4 | 0 | 110.2 | L220 G222 L228 L278 | L220-K272 PolarHBondContact O-N 3.32Å; G222-K272 PolarHBondContact O-NZ 3.43Å; L228-K272 HydrophobicContact CD2-CB 3.89Å; L228-K272 HydrophobicContact CD2-CD 4.21Å; K272-L278 HydrophobicContact CB-CD2 4.19Å | ||
| 273 | D | 90 | Very high | 94.2 | Very high | 37 Ų | 37 | 74.1 Ų | 74.1 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | trans | -99.3 | -11.3 | -176.3 | -62.6 | -23.7 | 0 | 0 | 0 | 113.2 | L220 N261 I271 E275 | L220-D273 WeakPolarHBondContact CB-OD1 3.21Å; L220-D273 VanDerWaalsContact CD2-OD1 3.29Å; L220-D273 WeakPolarHBondContact CD2-OD1 3.44Å; N261-D273 PolarHBondContact ND2-OD2 2.84Å; I271-D273 HydrophobicContact CG2-CB 4.41Å; I271-D273 WeakPolarHBondContact CG2-OD1 3.37Å; I271-D273 WeakPolarHBondContact CG2-OD2 3.32Å; D273-E275 PolarHBondContact O-N 2.97Å | ||
| 274 | D | 93 | Very high | 94.4 | Very high | 90 Ų | 90 | 77.7 Ų | 77.7 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | trans | -75.8 | 113.5 | -176.2 | -57.9 | -19.9 | 0 | 0 | 0 | 112.2 | D276 Q277 L278 | D274-D276 PolarHBondContact O-N 2.86Å; D274-Q277 HydrophobicContact CB-CB 3.93Å; D274-Q277 HydrophobicContact CB-CG 3.79Å; D274-Q277 PolarHBondContact O-N 3.19Å; D274-Q277 VanDerWaalsContact OD2-CD 3.26Å; D274-Q277 PolarHBondContact OD2-NE2 3.38Å; D274-Q277 PolarHBondContact OD2-OE1 3.21Å; D274-L278 WeakPolarHBondContact O-CB 3.38Å; D274-L278 VanDerWaalsContact O-CG 3.23Å; D274-L278 WeakPolarHBondContact O-CG 3.32Å; D274-L278 PolarHBondContact O-N 3.31Å | ||
| 275 | E | 93.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 80.6 Ų | 80.6 | 15% | 0.15 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | -178.7 | -67.2 | -176.2 | 172.9 | 0 | 0 | 113.1 | L229 V232 K236 D273 Q277 L278 R279 | L229-E275 HydrophobicContact CD1-CB 4.21Å; L229-E275 HydrophobicContact CD1-CG 4.31Å; V232-E275 HydrophobicContact CB-CG 4.11Å; V232-E275 HydrophobicContact CG1-CG 3.46Å; V232-E275 VanDerWaalsContact CG1-CG 3.46Å; V232-E275 WeakPolarHBondContact CG1-OE1 3.47Å; K236-E275 WeakPolarHBondContact CD-OE1 3.43Å; K236-E275 WeakPolarHBondContact CE-OE1 3.36Å; K236-E275 IonicContact NZ-OE1 2.71Å; K236-E275 PolarHBondContact NZ-OE1 3.35Å; K236-E275 IonicContact NZ-OE2 2.65Å; K236-E275 PolarHBondContact NZ-OE2 3.25Å; D273-E275 PolarHBondContact O-N 2.97Å; E275-Q277 VanDerWaalsContact C-N 3.34Å; E275-Q277 PolarHBondContact O-N 3.19Å; E275-L278 WeakPolarHBondContact O-CB 3.35Å; E275-L278 PolarHBondContact O-N 3.28Å; E275-R279 WeakPolarHBondContact O-CB 3.43Å; E275-R279 WeakPolarHBondContact O-CG 3.29Å; E275-R279 PolarHBondContact O-N 3.09Å |
| 276 | D | 95.3 | Very high | 94.6 | Very high | 123 Ų | 123 | 78.9 Ų | 78.9 | 66% | 0.658 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.3 | -40 | -178 | -67.6 | -35.9 | 0 | 0 | 0 | 111.7 | D274 R279 A280 | D274-D276 PolarHBondContact O-N 2.86Å; D276-R279 PolarHBondContact O-N 3.45Å; D276-A280 VanDerWaalsContact O-CB 3.25Å; D276-A280 WeakPolarHBondContact O-CB 3.45Å; D276-A280 PolarHBondContact O-N 3.23Å |
| 277 | Q | 94.6 | Very high | 94.8 | Very high | 121 Ų | 121 | 81.5 Ų | 81.5 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -68.1 | -36.5 | 175.2 | -61.5 | -167.2 | -1.2 | 0 | 0 | 111.9 | D274 E275 S281 | D274-Q277 HydrophobicContact CB-CB 3.93Å; D274-Q277 HydrophobicContact CB-CG 3.79Å; D274-Q277 PolarHBondContact O-N 3.19Å; D274-Q277 VanDerWaalsContact OD2-CD 3.26Å; D274-Q277 PolarHBondContact OD2-NE2 3.38Å; D274-Q277 PolarHBondContact OD2-OE1 3.21Å; E275-Q277 VanDerWaalsContact C-N 3.34Å; E275-Q277 PolarHBondContact O-N 3.19Å; Q277-S281 WeakPolarHBondContact O-CB 3.43Å; Q277-S281 PolarHBondContact O-N 2.86Å; Q277-S281 PolarHBondContact O-OG 3.04Å |
| 278 | L | 95.6 | Very high | 95 | Very high | 5 Ų | 5 | 83.5 Ų | 83.5 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 174.8 | -71.9 | 173.4 | 0 | 0 | 0 | 111.3 | Y225 L228 L229 V232 K272 D274 E275 S281 L282 | Y225-L278 HydrophobicContact CD1-CD2 3.85Å; L228-L278 HydrophobicContact CB-CD1 3.91Å; L228-L278 HydrophobicContact CB-CD2 3.85Å; L228-L278 HydrophobicContact CD2-CD2 3.78Å; L228-L278 HydrophobicContact CG-CD2 4.48Å; L229-L278 HydrophobicContact CD1-CB 4.35Å; V232-L278 HydrophobicContact CG2-CD1 3.79Å; K272-L278 HydrophobicContact CB-CD2 4.19Å; D274-L278 WeakPolarHBondContact O-CB 3.38Å; D274-L278 VanDerWaalsContact O-CG 3.23Å; D274-L278 WeakPolarHBondContact O-CG 3.32Å; D274-L278 PolarHBondContact O-N 3.31Å; E275-L278 WeakPolarHBondContact O-CB 3.35Å; E275-L278 PolarHBondContact O-N 3.28Å; L278-S281 PolarHBondContact O-N 3.08Å; L278-L282 WeakPolarHBondContact O-CB 3.44Å; L278-L282 PolarHBondContact O-N 2.63Å |
| 279 | R | 96.1 | Very high | 95.2 | Very high | 113 Ų | 113 | 88 Ų | 88 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.3 | -73 | 174.8 | 176.8 | -178.8 | 0.1 | 111.2 | L229 E233 E275 D276 S281 L282 K283 | L229-R279 HydrophobicContact CD1-CG 3.96Å; L229-R279 HydrophobicContact CD2-CG 4.07Å; E233-R279 IonicContact OE1-NH2 2.92Å; E275-R279 WeakPolarHBondContact O-CB 3.43Å; E275-R279 WeakPolarHBondContact O-CG 3.29Å; E275-R279 PolarHBondContact O-N 3.09Å; D276-R279 PolarHBondContact O-N 3.45Å; R279-S281 VanDerWaalsContact C-N 3.34Å; R279-S281 PolarHBondContact O-N 3.05Å; R279-L282 WeakPolarHBondContact O-CB 3.41Å; R279-L282 PolarHBondContact O-N 3.46Å; R279-K283 WeakPolarHBondContact O-CG 3.23Å; R279-K283 PolarHBondContact O-N 3.15Å |
| 280 | A | 96.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 88 Ų | 88 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D276 L282 K283 R284 | D276-A280 VanDerWaalsContact O-CB 3.25Å; D276-A280 WeakPolarHBondContact O-CB 3.45Å; D276-A280 PolarHBondContact O-N 3.23Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-L282 PolarHBondContact O-N 2.96Å; A280-K283 PolarHBondContact O-N 2.79Å; A280-R284 VanDerWaalsContact O-CG 3.3Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 2.79Å |
| 281 | S | 95.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 84.1 Ų | 84.1 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.9 | -38 | 176.9 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | Q277 L278 R279 K285 | Q277-S281 WeakPolarHBondContact O-CB 3.43Å; Q277-S281 PolarHBondContact O-N 2.86Å; Q277-S281 PolarHBondContact O-OG 3.04Å; L278-S281 PolarHBondContact O-N 3.08Å; R279-S281 VanDerWaalsContact C-N 3.34Å; R279-S281 PolarHBondContact O-N 3.05Å; S281-K285 WeakPolarHBondContact O-CB 3.25Å; S281-K285 PolarHBondContact O-N 3.02Å |
| 282 | L | 96.4 | Very high | 96 | Very high | 32 Ų | 32 | 90.9 Ų | 90.9 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 173.3 | -171.3 | 160.5 | 0 | 0 | 0 | 110.4 | K226 L278 R279 A280 R284 K285 E286 | K226-L282 HydrophobicContact CG-CD1 3.64Å; L278-L282 WeakPolarHBondContact O-CB 3.44Å; L278-L282 PolarHBondContact O-N 2.63Å; R279-L282 WeakPolarHBondContact O-CB 3.41Å; R279-L282 PolarHBondContact O-N 3.46Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-L282 PolarHBondContact O-N 2.96Å; L282-R284 VanDerWaalsContact C-N 3.34Å; L282-R284 PolarHBondContact O-N 3.02Å; L282-K285 WeakPolarHBondContact O-CA 3.36Å; L282-K285 WeakPolarHBondContact O-CB 3.37Å; L282-K285 PolarHBondContact O-N 3.41Å; L282-E286 HydrophobicContact CD2-CG 4.12Å; L282-E286 VanDerWaalsContact CD2-OE1 3.24Å; L282-E286 WeakPolarHBondContact CD2-OE1 3.43Å; L282-E286 WeakPolarHBondContact CD2-OE2 3.24Å; L282-E286 PolarHBondContact O-N 3.41Å |
| 283 | K | 97.1 | Very high | 96.3 | Very high | 152 Ų | 152 | 95.3 Ų | 95.3 | 66% | 0.661 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.8 | -44.9 | 175.5 | -72.1 | 178.5 | 179.8 | 179.6 | 0 | 112.1 | R279 A280 K285 E286 K287 | R279-K283 WeakPolarHBondContact O-CG 3.23Å; R279-K283 PolarHBondContact O-N 3.15Å; A280-K283 PolarHBondContact O-N 2.79Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K283-K285 PolarHBondContact O-N 3.37Å; K283-E286 PolarHBondContact O-N 3.4Å; K283-K287 WeakPolarHBondContact O-CB 3.37Å; K283-K287 PolarHBondContact O-N 3.35Å |
| 284 | R | 97.3 | Very high | 96.7 | Very high | 165 Ų | 165 | 100.2 Ų | 100.2 | 62% | 0.623 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 175.3 | -71.3 | 173.1 | -168 | 153.6 | 0.4 | 112.1 | A280 L282 R288 | A280-R284 VanDerWaalsContact O-CG 3.3Å; A280-R284 WeakPolarHBondContact O-CG 3.35Å; A280-R284 PolarHBondContact O-N 2.79Å; L282-R284 VanDerWaalsContact C-N 3.34Å; L282-R284 PolarHBondContact O-N 3.02Å; R284-R288 WeakPolarHBondContact O-CB 3.49Å; R284-R288 PolarHBondContact O-N 3.15Å |
| 285 | K | 96.7 | Very high | 96.9 | Very high | 67 Ų | 67 | 102 Ų | 102 | 29% | 0.291 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.8 | -168.7 | 175.2 | -173.8 | 174.8 | 0 | 111 | R223 Y225 S281 L282 K283 R288 R289 | R223-K285 PolarHBondContact O-NZ 2.94Å; Y225-K285 HydrophobicContact CD2-CD 3.95Å; Y225-K285 HydrophobicContact CE2-CD 4.09Å; S281-K285 WeakPolarHBondContact O-CB 3.25Å; S281-K285 PolarHBondContact O-N 3.02Å; L282-K285 WeakPolarHBondContact O-CA 3.36Å; L282-K285 WeakPolarHBondContact O-CB 3.37Å; L282-K285 PolarHBondContact O-N 3.41Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K283-K285 PolarHBondContact O-N 3.37Å; K285-R288 PolarHBondContact O-N 2.88Å; K285-R289 WeakPolarHBondContact O-CG 3.47Å; K285-R289 PolarHBondContact O-N 3.35Å; K285-R289 VanDerWaalsContact O-N 3.08Å |
| 286 | E | 96.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 109.1 Ų | 109.1 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 176.8 | -71 | 179.8 | 167.8 | 0 | 0 | 112.1 | L282 K283 R288 R289 A290 | L282-E286 HydrophobicContact CD2-CG 4.12Å; L282-E286 VanDerWaalsContact CD2-OE1 3.24Å; L282-E286 WeakPolarHBondContact CD2-OE1 3.43Å; L282-E286 WeakPolarHBondContact CD2-OE2 3.24Å; L282-E286 PolarHBondContact O-N 3.41Å; K283-E286 PolarHBondContact O-N 3.4Å; E286-R288 VanDerWaalsContact C-N 3.3Å; E286-R288 PolarHBondContact O-N 3.5Å; E286-R289 CarbonylContact O-C 3.56Å; E286-R289 WeakPolarHBondContact O-CB 3.49Å; E286-R289 PolarHBondContact O-N 2.92Å; E286-A290 WeakPolarHBondContact O-CB 3.35Å; E286-A290 PolarHBondContact O-N 3.19Å |
| 287 | K | 98.1 | Very high | 97.3 | Very high | 144 Ų | 144 | 105.4 Ų | 105.4 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -54.5 | -45.6 | 173.1 | -174.2 | 175 | -178.3 | 175.1 | 0 | 111.7 | K283 R289 A290 Q291 | K283-K287 WeakPolarHBondContact O-CB 3.37Å; K283-K287 PolarHBondContact O-N 3.35Å; K287-R289 PolarHBondContact O-N 2.99Å; K287-A290 PolarHBondContact O-N 2.72Å; K287-Q291 WeakPolarHBondContact O-CG 3.37Å; K287-Q291 PolarHBondContact O-N 3.35Å |
| 288 | R | 97.6 | Very high | 97.5 | Very high | 156 Ų | 156 | 104.2 Ų | 104.2 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 177.1 | -167.6 | -176 | -61.9 | 147.3 | 0.6 | 112.3 | R284 K285 E286 R292 | R284-R288 WeakPolarHBondContact O-CB 3.49Å; R284-R288 PolarHBondContact O-N 3.15Å; K285-R288 PolarHBondContact O-N 2.88Å; E286-R288 VanDerWaalsContact C-N 3.3Å; E286-R288 PolarHBondContact O-N 3.5Å; R288-R292 PolarHBondContact O-N 2.91Å |
| 289 | R | 97.5 | Very high | 97.6 | Very high | 150 Ų | 150 | 110.8 Ų | 110.8 | 57% | 0.566 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 175 | -75.7 | 176.2 | 173.4 | -173.7 | -4.6 | 111.5 | K285 E286 K287 Q291 R292 K293 | K285-R289 WeakPolarHBondContact O-CG 3.47Å; K285-R289 PolarHBondContact O-N 3.35Å; K285-R289 VanDerWaalsContact O-N 3.08Å; E286-R289 CarbonylContact O-C 3.56Å; E286-R289 WeakPolarHBondContact O-CB 3.49Å; E286-R289 PolarHBondContact O-N 2.92Å; K287-R289 PolarHBondContact O-N 2.99Å; R289-Q291 PolarHBondContact O-N 3.1Å; R289-R292 WeakPolarHBondContact O-CB 3.47Å; R289-R292 PolarHBondContact O-N 3.06Å; R289-K293 PolarHBondContact O-N 2.82Å |
| 290 | A | 98.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 107.9 Ų | 107.9 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E286 K287 R292 K293 K294 | E286-A290 WeakPolarHBondContact O-CB 3.35Å; E286-A290 PolarHBondContact O-N 3.19Å; K287-A290 PolarHBondContact O-N 2.72Å; A290-R292 VanDerWaalsContact C-N 3.33Å; A290-R292 PolarHBondContact O-N 3.14Å; A290-K293 WeakPolarHBondContact O-CB 3.41Å; A290-K293 PolarHBondContact O-N 3.36Å; A290-K294 WeakPolarHBondContact O-CG 3.41Å; A290-K294 PolarHBondContact O-N 3.47Å |
| 291 | Q | 98.3 | Very high | 97.8 | Very high | 95 Ų | 95 | 111.4 Ų | 111.4 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 174 | -74.8 | 177.7 | -9.5 | 0 | 0 | 112.2 | K287 R289 K294 K295 | K287-Q291 WeakPolarHBondContact O-CG 3.37Å; K287-Q291 PolarHBondContact O-N 3.35Å; R289-Q291 PolarHBondContact O-N 3.1Å; Q291-K294 PolarHBondContact O-N 3.11Å; Q291-K295 WeakPolarHBondContact O-CB 3.3Å; Q291-K295 VanDerWaalsContact O-CG 3.31Å; Q291-K295 WeakPolarHBondContact O-CG 3.49Å; Q291-K295 PolarHBondContact O-N 2.77Å |
| 292 | R | 98.4 | Very high | 98 | Very high | 171 Ų | 171 | 113.5 Ų | 113.5 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 176.2 | -170.8 | -175.5 | -61.6 | 165.2 | -2.9 | 111.6 | R288 R289 A290 K295 W296 | R288-R292 PolarHBondContact O-N 2.91Å; R289-R292 WeakPolarHBondContact O-CB 3.47Å; R289-R292 PolarHBondContact O-N 3.06Å; A290-R292 VanDerWaalsContact C-N 3.33Å; A290-R292 PolarHBondContact O-N 3.14Å; R292-K295 PolarHBondContact O-N 3.42Å; R292-W296 PolarHBondContact O-N 3.18Å |
| 293 | K | 98.4 | Very high | 98.1 | Very high | 154 Ų | 154 | 116.8 Ų | 116.8 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59 | -52.7 | 175.7 | -172.9 | 178.7 | 178.2 | -177.3 | 0 | 110.4 | R289 A290 K295 W296 T297 | R289-K293 PolarHBondContact O-N 2.82Å; A290-K293 WeakPolarHBondContact O-CB 3.41Å; A290-K293 PolarHBondContact O-N 3.36Å; K293-K295 PolarHBondContact O-N 3.47Å; K293-W296 WeakPolarHBondContact O-CA 3.26Å; K293-W296 WeakPolarHBondContact O-CB 3.42Å; K293-W296 PolarHBondContact O-N 3.33Å; K293-T297 HydrophobicContact CG-CG2 4.48Å; K293-T297 WeakPolarHBondContact O-CG2 3.44Å; K293-T297 PolarHBondContact O-N 3.21Å; K293-T297 PolarHBondContact O-OG1 3.44Å |
| 294 | K | 98.6 | Very high | 98.1 | Very high | 141 Ų | 141 | 113.6 Ų | 113.6 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.5 | -46.8 | 175.8 | -70.1 | -176.7 | 179.6 | -167.9 | 0 | 112.5 | A290 Q291 W296 T297 N298 | A290-K294 WeakPolarHBondContact O-CG 3.41Å; A290-K294 PolarHBondContact O-N 3.47Å; Q291-K294 PolarHBondContact O-N 3.11Å; K294-W296 PolarHBondContact O-N 3.1Å; K294-T297 WeakPolarHBondContact CA-OG1 3.44Å; K294-T297 PolarHBondContact O-N 2.93Å; K294-T297 PolarHBondContact O-OG1 2.99Å; K294-N298 WeakPolarHBondContact O-CB 3.19Å; K294-N298 PolarHBondContact O-N 3.04Å; K294-N298 PolarHBondContact O-OD1 3.37Å |
| 295 | K | 98.4 | Very high | 98.2 | Very high | 127 Ų | 127 | 110.3 Ų | 110.3 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -27.4 | 176.6 | -73.6 | -179.5 | -179 | -173.4 | 0 | 112.8 | Q291 R292 K293 R299 | Q291-K295 WeakPolarHBondContact O-CB 3.3Å; Q291-K295 VanDerWaalsContact O-CG 3.31Å; Q291-K295 WeakPolarHBondContact O-CG 3.49Å; Q291-K295 PolarHBondContact O-N 2.77Å; R292-K295 PolarHBondContact O-N 3.42Å; K293-K295 PolarHBondContact O-N 3.47Å; K295-R299 WeakPolarHBondContact O-CG 3.35Å; K295-R299 PolarHBondContact O-NH1 3.27Å |
| 296 | W | 98.4 | Very high | 98.3 | Very high | 181 Ų | 181 | 112.5 Ų | 112.5 | 69% | 0.686 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -81.4 | -43.9 | 176.9 | -168.2 | -99.7 | 0 | 0 | 0 | 111.6 | R292 K293 K294 N298 R299 S300 | R292-W296 PolarHBondContact O-N 3.18Å; K293-W296 WeakPolarHBondContact O-CA 3.26Å; K293-W296 WeakPolarHBondContact O-CB 3.42Å; K293-W296 PolarHBondContact O-N 3.33Å; K294-W296 PolarHBondContact O-N 3.1Å; W296-N298 PolarHBondContact O-N 3.1Å; W296-R299 WeakPolarHBondContact O-CB 3.48Å; W296-R299 PolarHBondContact O-N 3.4Å; W296-R299 VanDerWaalsContact O-N 3.11Å; W296-S300 PolarHBondContact O-N 3Å; W296-S300 PolarHBondContact O-OG 2.91Å |
| 297 | T | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 113.2 Ų | 113.2 | 28% | 0.282 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 176 | 56 | 0 | 0 | 0 | 0 | 111.1 | K293 K294 R299 S300 E301 | K293-T297 HydrophobicContact CG-CG2 4.48Å; K293-T297 WeakPolarHBondContact O-CG2 3.44Å; K293-T297 PolarHBondContact O-N 3.21Å; K293-T297 PolarHBondContact O-OG1 3.44Å; K294-T297 WeakPolarHBondContact CA-OG1 3.44Å; K294-T297 PolarHBondContact O-N 2.93Å; K294-T297 PolarHBondContact O-OG1 2.99Å; T297-R299 PolarHBondContact O-N 2.86Å; T297-S300 WeakPolarHBondContact CA-OG 3.47Å; T297-S300 PolarHBondContact O-N 3.17Å; T297-S300 VanDerWaalsContact O-N 3.08Å; T297-S300 PolarHBondContact O-OG 2.98Å; T297-E301 WeakPolarHBondContact O-CB 3.48Å; T297-E301 VanDerWaalsContact O-CG 3.3Å; T297-E301 WeakPolarHBondContact O-CG 3.43Å; T297-E301 PolarHBondContact O-N 3.25Å |
| 298 | N | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 111.2 Ų | 111.2 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -32.4 | 177.4 | -64.5 | 18 | 0 | 0 | 0 | 112.1 | K294 W296 N302 | K294-N298 WeakPolarHBondContact O-CB 3.19Å; K294-N298 PolarHBondContact O-N 3.04Å; K294-N298 PolarHBondContact O-OD1 3.37Å; W296-N298 PolarHBondContact O-N 3.1Å; N298-N302 WeakPolarHBondContact O-CB 3.45Å; N298-N302 PolarHBondContact O-N 3.49Å |
| 299 | R | 98.4 | Very high | 98.4 | Very high | 142 Ų | 142 | 108.7 Ų | 108.7 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -43.2 | 175 | -77 | 179.7 | -165.7 | 113.6 | -10.9 | 111.4 | K295 W296 T297 V303 | K295-R299 WeakPolarHBondContact O-CG 3.35Å; K295-R299 PolarHBondContact O-NH1 3.27Å; W296-R299 WeakPolarHBondContact O-CB 3.48Å; W296-R299 PolarHBondContact O-N 3.4Å; W296-R299 VanDerWaalsContact O-N 3.11Å; T297-R299 PolarHBondContact O-N 2.86Å; R299-V303 VanDerWaalsContact O-CG2 3.32Å; R299-V303 WeakPolarHBondContact O-CG2 3.48Å; R299-V303 PolarHBondContact O-N 3.37Å; R299-V303 VanDerWaalsContact O-N 3.16Å |
| 300 | S | 98.3 | Very high | 98.4 | Very high | 53 Ų | 53 | 111 Ų | 111 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 176 | 45 | 0 | 0 | 0 | 0 | 112 | W296 T297 V303 I304 | W296-S300 PolarHBondContact O-N 3Å; W296-S300 PolarHBondContact O-OG 2.91Å; T297-S300 WeakPolarHBondContact CA-OG 3.47Å; T297-S300 PolarHBondContact O-N 3.17Å; T297-S300 VanDerWaalsContact O-N 3.08Å; T297-S300 PolarHBondContact O-OG 2.98Å; S300-V303 PolarHBondContact O-N 2.98Å; S300-I304 WeakPolarHBondContact O-CG1 3.32Å; S300-I304 PolarHBondContact O-N 3.34Å |
| 301 | E | 98.4 | Very high | 98.4 | Very high | 107 Ų | 107 | 113.1 Ų | 113.1 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 177.3 | -73 | 159.8 | -161.2 | 0 | 0 | 110.9 | T297 V303 I304 E305 | T297-E301 WeakPolarHBondContact O-CB 3.48Å; T297-E301 VanDerWaalsContact O-CG 3.3Å; T297-E301 WeakPolarHBondContact O-CG 3.43Å; T297-E301 PolarHBondContact O-N 3.25Å; E301-V303 VanDerWaalsContact C-N 3.27Å; E301-V303 PolarHBondContact O-N 3.42Å; E301-I304 PolarHBondContact O-N 2.9Å; E301-I304 VanDerWaalsContact O-N 3.08Å; E301-E305 WeakPolarHBondContact O-CB 3.48Å; E301-E305 PolarHBondContact O-N 2.95Å |
| 302 | N | 98.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 112 Ų | 112 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 177.2 | -173 | -17.6 | 0 | 0 | 0 | 112.5 | N298 K306 | N298-N302 WeakPolarHBondContact O-CB 3.45Å; N298-N302 PolarHBondContact O-N 3.49Å; N302-K306 WeakPolarHBondContact O-CB 3.49Å; N302-K306 WeakPolarHBondContact O-CG 3.47Å; N302-K306 PolarHBondContact O-N 2.9Å; N302-K306 WeakPolarHBondContact OD1-CD 3.39Å; N302-K306 WeakPolarHBondContact OD1-CE 3.3Å; N302-K306 PolarHBondContact OD1-NZ 2.93Å |
| 303 | V | 98.6 | Very high | 98.4 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.1 | -44.3 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | R299 S300 E301 M307 | R299-V303 VanDerWaalsContact O-CG2 3.32Å; R299-V303 WeakPolarHBondContact O-CG2 3.48Å; R299-V303 PolarHBondContact O-N 3.37Å; R299-V303 VanDerWaalsContact O-N 3.16Å; S300-V303 PolarHBondContact O-N 2.98Å; E301-V303 VanDerWaalsContact C-N 3.27Å; E301-V303 PolarHBondContact O-N 3.42Å; V303-M307 WeakPolarHBondContact O-CB 3.36Å; V303-M307 PolarHBondContact O-N 2.95Å |
| 304 | I | 98.5 | Very high | 98.4 | Very high | 84 Ų | 84 | 112 Ų | 112 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 177.5 | -66.9 | 166 | 0 | 0 | 0 | 110.2 | S300 E301 K306 M307 Q308 | S300-I304 WeakPolarHBondContact O-CG1 3.32Å; S300-I304 PolarHBondContact O-N 3.34Å; E301-I304 PolarHBondContact O-N 2.9Å; E301-I304 VanDerWaalsContact O-N 3.08Å; I304-K306 PolarHBondContact O-N 2.97Å; I304-M307 WeakPolarHBondContact O-CA 3.42Å; I304-M307 WeakPolarHBondContact O-CB 3.49Å; I304-M307 PolarHBondContact O-N 3.28Å; I304-M307 VanDerWaalsContact O-N 3.09Å; I304-Q308 HydrophobicContact CG2-CG 4.39Å; I304-Q308 WeakPolarHBondContact O-CG 3.39Å; I304-Q308 PolarHBondContact O-N 3.23Å |
| 305 | E | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 113 Ų | 113 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 178.4 | -169.5 | -165.9 | 167.2 | 0 | 0 | 111 | E301 M307 Q308 Q309 | E301-E305 WeakPolarHBondContact O-CB 3.48Å; E301-E305 PolarHBondContact O-N 2.95Å; E305-M307 PolarHBondContact O-N 3.23Å; E305-Q308 PolarHBondContact O-N 2.84Å; E305-Q308 VanDerWaalsContact O-N 3.15Å; E305-Q309 HydrophobicContact CG-CG 4.43Å; E305-Q309 WeakPolarHBondContact O-CB 3.25Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.31Å; E305-Q309 PolarHBondContact O-N 2.94Å; E305-Q309 PolarHBondContact OE1-NE2 3.13Å |
| 306 | K | 98.4 | Very high | 98.4 | Very high | 114 Ų | 114 | 113.5 Ų | 113.5 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -34.5 | 175.8 | -78.3 | 174.9 | 175.5 | 163 | 0 | 112.7 | N302 I304 R310 | N302-K306 WeakPolarHBondContact O-CB 3.49Å; N302-K306 WeakPolarHBondContact O-CG 3.47Å; N302-K306 PolarHBondContact O-N 2.9Å; N302-K306 WeakPolarHBondContact OD1-CD 3.39Å; N302-K306 WeakPolarHBondContact OD1-CE 3.3Å; N302-K306 PolarHBondContact OD1-NZ 2.93Å; I304-K306 PolarHBondContact O-N 2.97Å; K306-R310 VanDerWaalsContact O-CG 3.25Å; K306-R310 WeakPolarHBondContact O-CG 3.37Å; K306-R310 PolarHBondContact O-N 3Å |
| 307 | M | 97.9 | Very high | 98.4 | Very high | 101 Ų | 101 | 109.1 Ų | 109.1 | 50% | 0.498 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 175 | -175.7 | 176 | 67.4 | 0 | 0 | 110.9 | V303 I304 E305 R310 Q311 | V303-M307 WeakPolarHBondContact O-CB 3.36Å; V303-M307 PolarHBondContact O-N 2.95Å; I304-M307 WeakPolarHBondContact O-CA 3.42Å; I304-M307 WeakPolarHBondContact O-CB 3.49Å; I304-M307 PolarHBondContact O-N 3.28Å; I304-M307 VanDerWaalsContact O-N 3.09Å; E305-M307 PolarHBondContact O-N 3.23Å; M307-R310 PolarHBondContact O-N 2.93Å; M307-Q311 WeakPolarHBondContact O-CG 3.49Å; M307-Q311 PolarHBondContact O-N 3.41Å |
| 308 | Q | 98.4 | Very high | 98.4 | Very high | 101 Ų | 101 | 110.8 Ų | 110.8 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 176.6 | -72.6 | 173 | -15.2 | 0 | 0 | 111.3 | I304 E305 R310 Q311 D312 | I304-Q308 HydrophobicContact CG2-CG 4.39Å; I304-Q308 WeakPolarHBondContact O-CG 3.39Å; I304-Q308 PolarHBondContact O-N 3.23Å; E305-Q308 PolarHBondContact O-N 2.84Å; E305-Q308 VanDerWaalsContact O-N 3.15Å; Q308-R310 PolarHBondContact O-N 3.4Å; Q308-R310 VanDerWaalsContact O-N 3.14Å; Q308-Q311 CarbonylContact O-C 3.58Å; Q308-Q311 WeakPolarHBondContact O-CA 3.44Å; Q308-Q311 WeakPolarHBondContact O-CB 3.33Å; Q308-Q311 PolarHBondContact O-N 2.83Å; Q308-D312 PolarHBondContact O-N 2.85Å |
| 309 | Q | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 111.5 Ų | 111.5 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -53.6 | -39.5 | 176.3 | -72.2 | 178.2 | 3.3 | 0 | 0 | 112.5 | E305 K313 | E305-Q309 HydrophobicContact CG-CG 4.43Å; E305-Q309 WeakPolarHBondContact O-CB 3.25Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.31Å; E305-Q309 PolarHBondContact O-N 2.94Å; E305-Q309 PolarHBondContact OE1-NE2 3.13Å; Q309-K313 VanDerWaalsContact O-CB 3.26Å; Q309-K313 WeakPolarHBondContact O-CB 3.44Å; Q309-K313 PolarHBondContact O-N 3.21Å |
| 310 | R | 98.4 | Very high | 98.3 | Very high | 200 Ų | 200 | 111.5 Ų | 111.5 | 76% | 0.755 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 175 | -75.6 | 173.8 | -178.3 | -127.6 | 0.8 | 112.2 | K306 M307 Q308 R314 | K306-R310 VanDerWaalsContact O-CG 3.25Å; K306-R310 WeakPolarHBondContact O-CG 3.37Å; K306-R310 PolarHBondContact O-N 3Å; M307-R310 PolarHBondContact O-N 2.93Å; Q308-R310 PolarHBondContact O-N 3.4Å; Q308-R310 VanDerWaalsContact O-N 3.14Å; R310-R314 PolarHBondContact O-N 3.02Å; R310-R314 VanDerWaalsContact O-N 3.11Å |
| 311 | Q | 98.5 | Very high | 98.3 | Very high | 92 Ų | 92 | 114 Ų | 114 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 176.2 | -68.9 | -176 | 17.8 | 0 | 0 | 111.1 | M307 Q308 K313 R314 R315 | M307-Q311 WeakPolarHBondContact O-CG 3.49Å; M307-Q311 PolarHBondContact O-N 3.41Å; Q308-Q311 CarbonylContact O-C 3.58Å; Q308-Q311 WeakPolarHBondContact O-CA 3.44Å; Q308-Q311 WeakPolarHBondContact O-CB 3.33Å; Q308-Q311 PolarHBondContact O-N 2.83Å; Q311-K313 PolarHBondContact O-N 2.81Å; Q311-R314 CarbonylContact O-C 3.58Å; Q311-R314 WeakPolarHBondContact O-CA 3.42Å; Q311-R314 WeakPolarHBondContact O-CB 3.46Å; Q311-R314 PolarHBondContact O-N 3.18Å; Q311-R314 VanDerWaalsContact O-N 3.1Å; Q311-R315 WeakPolarHBondContact O-CG 3.31Å; Q311-R315 PolarHBondContact O-N 2.84Å |
| 312 | D | 98.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 116 Ų | 116 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 179.2 | -66.7 | -24.5 | 0 | 0 | 0 | 111.8 | Q308 R314 R315 K316 | Q308-D312 PolarHBondContact O-N 2.85Å; D312-R314 VanDerWaalsContact C-N 3.27Å; D312-R314 PolarHBondContact O-N 2.95Å; D312-R315 PolarHBondContact O-N 3.44Å; D312-K316 WeakPolarHBondContact O-CB 3.42Å; D312-K316 WeakPolarHBondContact O-CG 3.26Å; D312-K316 PolarHBondContact O-N 2.98Å |
| 313 | K | 98.5 | Very high | 98.2 | Very high | 143 Ų | 143 | 117 Ų | 117 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.9 | -42.1 | 171.7 | -174.2 | 172 | -175.8 | 170.6 | 0 | 111.3 | Q309 Q311 N317 | Q309-K313 VanDerWaalsContact O-CB 3.26Å; Q309-K313 WeakPolarHBondContact O-CB 3.44Å; Q309-K313 PolarHBondContact O-N 3.21Å; Q311-K313 PolarHBondContact O-N 2.81Å; K313-N317 WeakPolarHBondContact O-CB 3.36Å; K313-N317 PolarHBondContact O-N 2.91Å; K313-N317 PolarHBondContact O-OD1 3.33Å |
| 314 | R | 98.2 | Very high | 98.1 | Very high | 182 Ų | 182 | 114.5 Ų | 114.5 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 175.6 | -175.2 | 177.7 | -179.8 | 179.8 | -1.4 | 111.7 | R310 Q311 D312 N317 L318 | R310-R314 PolarHBondContact O-N 3.02Å; R310-R314 VanDerWaalsContact O-N 3.11Å; Q311-R314 CarbonylContact O-C 3.58Å; Q311-R314 WeakPolarHBondContact O-CA 3.42Å; Q311-R314 WeakPolarHBondContact O-CB 3.46Å; Q311-R314 PolarHBondContact O-N 3.18Å; Q311-R314 VanDerWaalsContact O-N 3.1Å; D312-R314 VanDerWaalsContact C-N 3.27Å; D312-R314 PolarHBondContact O-N 2.95Å; R314-N317 PolarHBondContact O-N 3.36Å; R314-L318 HydrophobicContact CG-CD1 4.13Å; R314-L318 WeakPolarHBondContact O-CB 3.47Å; R314-L318 WeakPolarHBondContact O-CG 3.43Å; R314-L318 PolarHBondContact O-N 2.92Å |
| 315 | R | 98.3 | Very high | 98 | Very high | 162 Ų | 162 | 116.5 Ų | 116.5 | 61% | 0.611 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.1 | -49.6 | 177.2 | -70.4 | 176.8 | -174.1 | -157.5 | 3.7 | 111.1 | Q311 D312 N317 L318 Q319 | Q311-R315 WeakPolarHBondContact O-CG 3.31Å; Q311-R315 PolarHBondContact O-N 2.84Å; D312-R315 PolarHBondContact O-N 3.44Å; R315-N317 PolarHBondContact O-N 3.3Å; R315-L318 PolarHBondContact O-N 3.47Å; R315-Q319 WeakPolarHBondContact O-CB 3.2Å; R315-Q319 PolarHBondContact O-N 2.87Å |
| 316 | K | 98.4 | Very high | 97.9 | Very high | 136 Ų | 136 | 116.9 Ų | 116.9 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.6 | -44.5 | 176.3 | -71.2 | 179.5 | -178.6 | -177.1 | 0 | 111.9 | D312 Q319 K320 | D312-K316 WeakPolarHBondContact O-CB 3.42Å; D312-K316 WeakPolarHBondContact O-CG 3.26Å; D312-K316 PolarHBondContact O-N 2.98Å; K316-Q319 PolarHBondContact O-N 3.14Å; K316-K320 WeakPolarHBondContact O-CB 3.2Å; K316-K320 WeakPolarHBondContact O-CG 3.33Å; K316-K320 PolarHBondContact O-N 3.25Å |
| 317 | N | 98.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 115 Ų | 115 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.6 | -73.9 | -5.1 | 0 | 0 | 0 | 112.6 | K313 R314 R315 K320 Q321 | K313-N317 WeakPolarHBondContact O-CB 3.36Å; K313-N317 PolarHBondContact O-N 2.91Å; K313-N317 PolarHBondContact O-OD1 3.33Å; R314-N317 PolarHBondContact O-N 3.36Å; R315-N317 PolarHBondContact O-N 3.3Å; N317-K320 PolarHBondContact O-N 2.91Å; N317-Q321 WeakPolarHBondContact O-CB 3.34Å; N317-Q321 PolarHBondContact O-N 2.83Å |
| 318 | L | 97.8 | Very high | 97.5 | Very high | 80 Ų | 80 | 117.7 Ų | 117.7 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 175.5 | -74.2 | 171.2 | 0 | 0 | 0 | 111.6 | R314 R315 Q321 K322 | R314-L318 HydrophobicContact CG-CD1 4.13Å; R314-L318 WeakPolarHBondContact O-CB 3.47Å; R314-L318 WeakPolarHBondContact O-CG 3.43Å; R314-L318 PolarHBondContact O-N 2.92Å; R315-L318 PolarHBondContact O-N 3.47Å; L318-Q321 PolarHBondContact O-N 3.37Å; L318-K322 WeakPolarHBondContact O-CG 3.5Å; L318-K322 PolarHBondContact O-N 3.29Å |
| 319 | Q | 98.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 120.8 Ų | 120.8 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 176.1 | -172.8 | 176.7 | 5.8 | 0 | 0 | 111.3 | R315 K316 Q321 K322 Q323 | R315-Q319 WeakPolarHBondContact O-CB 3.2Å; R315-Q319 PolarHBondContact O-N 2.87Å; K316-Q319 PolarHBondContact O-N 3.14Å; Q319-Q321 VanDerWaalsContact C-N 3.29Å; Q319-Q321 PolarHBondContact O-N 2.85Å; Q319-K322 WeakPolarHBondContact O-CB 3.39Å; Q319-K322 PolarHBondContact O-N 3.47Å; Q319-K322 VanDerWaalsContact O-N 3.14Å; Q319-Q323 WeakPolarHBondContact O-CG 3.39Å; Q319-Q323 PolarHBondContact O-N 2.8Å |
| 320 | K | 97.9 | Very high | 97 | Very high | 141 Ų | 141 | 117.9 Ų | 117.9 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.5 | -41.4 | 173.5 | -74.2 | -176.8 | 179 | -168.7 | 0 | 111.9 | K316 N317 Q323 A324 | K316-K320 WeakPolarHBondContact O-CB 3.2Å; K316-K320 WeakPolarHBondContact O-CG 3.33Å; K316-K320 PolarHBondContact O-N 3.25Å; N317-K320 PolarHBondContact O-N 2.91Å; K320-Q323 PolarHBondContact O-N 3.11Å; K320-A324 VanDerWaalsContact O-CB 3.26Å; K320-A324 WeakPolarHBondContact O-CB 3.47Å; K320-A324 PolarHBondContact O-N 3.42Å |
| 321 | Q | 97.6 | Very high | 96.6 | Very high | 107 Ų | 107 | 111.9 Ų | 111.9 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 176.8 | -168.6 | -176.5 | 19.5 | 0 | 0 | 112.2 | N317 L318 Q319 K325 | N317-Q321 WeakPolarHBondContact O-CB 3.34Å; N317-Q321 PolarHBondContact O-N 2.83Å; L318-Q321 PolarHBondContact O-N 3.37Å; Q319-Q321 VanDerWaalsContact C-N 3.29Å; Q319-Q321 PolarHBondContact O-N 2.85Å; Q321-K325 WeakPolarHBondContact O-CG 3.4Å; Q321-K325 PolarHBondContact O-N 3.17Å |
| 322 | K | 97.8 | Very high | 96.4 | Very high | 148 Ų | 148 | 114.1 Ų | 114.1 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -49.3 | 174.8 | -73.8 | 179.7 | 179.1 | -172.5 | 0 | 110.8 | L318 Q319 K325 M326 | L318-K322 WeakPolarHBondContact O-CG 3.5Å; L318-K322 PolarHBondContact O-N 3.29Å; Q319-K322 WeakPolarHBondContact O-CB 3.39Å; Q319-K322 PolarHBondContact O-N 3.47Å; Q319-K322 VanDerWaalsContact O-N 3.14Å; K322-K325 WeakPolarHBondContact O-CB 3.39Å; K322-K325 PolarHBondContact O-N 2.84Å; K322-M326 WeakPolarHBondContact O-CG 3.39Å; K322-M326 PolarHBondContact O-N 3.48Å |
| 323 | Q | 96.9 | Very high | 96.1 | Very high | 91 Ų | 91 | 111.7 Ų | 111.7 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.1 | -50.2 | 176.2 | -72.8 | 172.4 | -19.9 | 0 | 0 | 111.3 | Q319 K320 K325 M326 E327 | Q319-Q323 WeakPolarHBondContact O-CG 3.39Å; Q319-Q323 PolarHBondContact O-N 2.8Å; K320-Q323 PolarHBondContact O-N 3.11Å; Q323-K325 VanDerWaalsContact C-N 3.25Å; Q323-K325 PolarHBondContact O-N 3.04Å; Q323-M326 HydrophobicContact CG-CE 4.26Å; Q323-M326 CarbonylContact O-C 3.55Å; Q323-M326 WeakPolarHBondContact O-CA 3.3Å; Q323-M326 WeakPolarHBondContact O-CB 3.42Å; Q323-M326 PolarHBondContact O-N 3.28Å; Q323-E327 WeakPolarHBondContact O-CG 3.44Å; Q323-E327 PolarHBondContact O-N 3.25Å |
| 324 | A | 97.2 | Very high | 95.7 | Very high | 48 Ų | 48 | 109 Ų | 109 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.2 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K320 K328 | K320-A324 VanDerWaalsContact O-CB 3.26Å; K320-A324 WeakPolarHBondContact O-CB 3.47Å; K320-A324 PolarHBondContact O-N 3.42Å; A324-K328 VanDerWaalsContact O-CB 3.31Å; A324-K328 WeakPolarHBondContact O-CB 3.43Å; A324-K328 WeakPolarHBondContact O-CG 3.35Å; A324-K328 PolarHBondContact O-N 2.63Å |
| 325 | K | 97.2 | Very high | 95.4 | Very high | 126 Ų | 126 | 109.4 Ų | 109.4 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 172.6 | -76.5 | 177.5 | 178.7 | -175.6 | 0 | 111.9 | Q321 K322 Q323 K329 | Q321-K325 WeakPolarHBondContact O-CG 3.4Å; Q321-K325 PolarHBondContact O-N 3.17Å; K322-K325 WeakPolarHBondContact O-CB 3.39Å; K322-K325 PolarHBondContact O-N 2.84Å; Q323-K325 VanDerWaalsContact C-N 3.25Å; Q323-K325 PolarHBondContact O-N 3.04Å; K325-K329 WeakPolarHBondContact O-CG 3.47Å; K325-K329 PolarHBondContact O-N 2.74Å; K325-K329 VanDerWaalsContact O-N 3.11Å |
| 326 | M | 94.9 | Very high | 95.1 | Very high | 105 Ų | 105 | 108.8 Ų | 108.8 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 175.5 | -64.3 | -169.6 | -54.8 | 0 | 0 | 110.8 | K322 Q323 K328 K329 K330 | K322-M326 WeakPolarHBondContact O-CG 3.39Å; K322-M326 PolarHBondContact O-N 3.48Å; Q323-M326 HydrophobicContact CG-CE 4.26Å; Q323-M326 CarbonylContact O-C 3.55Å; Q323-M326 WeakPolarHBondContact O-CA 3.3Å; Q323-M326 WeakPolarHBondContact O-CB 3.42Å; Q323-M326 PolarHBondContact O-N 3.28Å; M326-K328 PolarHBondContact O-N 2.87Å; M326-K329 WeakPolarHBondContact O-CA 3.49Å; M326-K329 WeakPolarHBondContact O-CB 3.44Å; M326-K329 PolarHBondContact O-N 2.67Å; M326-K330 WeakPolarHBondContact O-CG 3.49Å; M326-K330 PolarHBondContact O-N 3.03Å |
| 327 | E | 94 | Very high | 94.6 | Very high | 75 Ų | 75 | 105.5 Ų | 105.5 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 177.1 | -67.5 | -52.4 | 128.5 | 0 | 0 | 112.2 | Q323 K329 K330 N331 | Q323-E327 WeakPolarHBondContact O-CG 3.44Å; Q323-E327 PolarHBondContact O-N 3.25Å; E327-K329 VanDerWaalsContact C-N 3.31Å; E327-K329 PolarHBondContact O-N 3.32Å; E327-K330 PolarHBondContact O-N 3.27Å; E327-K330 IonicContact OE1-NZ 2.95Å; E327-K330 PolarHBondContact OE1-NZ 3.31Å; E327-N331 WeakPolarHBondContact O-CB 3.4Å; E327-N331 PolarHBondContact O-N 2.81Å; E327-N331 PolarHBondContact O-ND2 3.25Å |
| 328 | K | 95.4 | Very high | 94.1 | Very high | 157 Ų | 157 | 109.7 Ų | 109.7 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -39.4 | 172.5 | -78.9 | 178.3 | -179 | -169.2 | 0 | 112.5 | A324 M326 K332 | A324-K328 VanDerWaalsContact O-CB 3.31Å; A324-K328 WeakPolarHBondContact O-CB 3.43Å; A324-K328 WeakPolarHBondContact O-CG 3.35Å; A324-K328 PolarHBondContact O-N 2.63Å; M326-K328 PolarHBondContact O-N 2.87Å; K328-K332 WeakPolarHBondContact O-CB 3.39Å; K328-K332 PolarHBondContact O-N 2.88Å |
| 329 | K | 93 | Very high | 93.3 | Very high | 165 Ų | 165 | 110.8 Ų | 110.8 | 72% | 0.717 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -45.4 | 175.3 | -73.1 | -179.5 | 177.8 | -170.2 | 0 | 111.1 | K325 M326 E327 K332 A333 | K325-K329 WeakPolarHBondContact O-CG 3.47Å; K325-K329 PolarHBondContact O-N 2.74Å; K325-K329 VanDerWaalsContact O-N 3.11Å; M326-K329 WeakPolarHBondContact O-CA 3.49Å; M326-K329 WeakPolarHBondContact O-CB 3.44Å; M326-K329 PolarHBondContact O-N 2.67Å; E327-K329 VanDerWaalsContact C-N 3.31Å; E327-K329 PolarHBondContact O-N 3.32Å; K329-K332 PolarHBondContact O-N 3.38Å; K329-A333 PolarHBondContact O-N 3.11Å |
| 330 | K | 91.9 | Very high | 92.7 | Very high | 42 Ų | 42 | 107.1 Ų | 107.1 | 18% | 0.183 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -58.6 | -50 | 175.6 | -69 | -179.5 | -176.5 | 176.1 | 0 | 111.6 | M326 E327 K332 A333 R334 L340 E342 | M326-K330 WeakPolarHBondContact O-CG 3.49Å; M326-K330 PolarHBondContact O-N 3.03Å; E327-K330 PolarHBondContact O-N 3.27Å; E327-K330 IonicContact OE1-NZ 2.95Å; E327-K330 PolarHBondContact OE1-NZ 3.31Å; K330-K332 VanDerWaalsContact C-N 3.3Å; K330-K332 PolarHBondContact O-N 3.03Å; K330-A333 WeakPolarHBondContact O-CA 3.35Å; K330-A333 WeakPolarHBondContact O-CB 3.39Å; K330-A333 PolarHBondContact O-N 2.97Å; K330-R334 PolarHBondContact O-N 3Å; K330-L340 HydrophobicContact CB-CD1 3.54Å; K330-L340 HydrophobicContact CD-CD1 4.35Å; K330-L340 HydrophobicContact CG-CD1 3.78Å; K330-E342 WeakPolarHBondContact CE-OE1 3.39Å; K330-E342 WeakPolarHBondContact CE-OE2 3.5Å; K330-E342 IonicContact NZ-OE1 2.67Å; K330-E342 PolarHBondContact NZ-OE1 3.39Å; K330-E342 IonicContact NZ-OE2 2.74Å; K330-E342 PolarHBondContact NZ-OE2 3.16Å |
| 331 | N | 91 | Very high | 92 | Very high | 74 Ų | 74 | 104.7 Ų | 104.7 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -37 | 177.6 | -69.7 | -16 | 0 | 0 | 0 | 112.4 | E327 R334 K335 | E327-N331 WeakPolarHBondContact O-CB 3.4Å; E327-N331 PolarHBondContact O-N 2.81Å; E327-N331 PolarHBondContact O-ND2 3.25Å; N331-R334 PolarHBondContact O-N 2.77Å; N331-K335 WeakPolarHBondContact O-CB 3.41Å; N331-K335 WeakPolarHBondContact O-CG 3.45Å; N331-K335 PolarHBondContact O-N 3.03Å |
| 332 | K | 93.8 | Very high | 91.3 | Very high | 140 Ų | 140 | 103.7 Ų | 103.7 | 61% | 0.609 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -34.1 | 174.3 | -169.2 | 171.5 | -177.1 | 176 | 0 | 112.3 | K328 K329 K330 K336 | K328-K332 WeakPolarHBondContact O-CB 3.39Å; K328-K332 PolarHBondContact O-N 2.88Å; K329-K332 PolarHBondContact O-N 3.38Å; K330-K332 VanDerWaalsContact C-N 3.3Å; K330-K332 PolarHBondContact O-N 3.03Å; K332-K336 WeakPolarHBondContact O-CG 3.29Å; K332-K336 PolarHBondContact O-N 3.1Å |
| 333 | A | 91.8 | Very high | 90.3 | Very high | 21 Ų | 21 | 98.5 Ų | 98.5 | 17% | 0.174 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K329 K330 K335 K336 G337 R338 L340 | K329-A333 PolarHBondContact O-N 3.11Å; K330-A333 WeakPolarHBondContact O-CA 3.35Å; K330-A333 WeakPolarHBondContact O-CB 3.39Å; K330-A333 PolarHBondContact O-N 2.97Å; A333-K335 PolarHBondContact O-N 3.4Å; A333-K336 CarbonylContact O-C 3.51Å; A333-K336 WeakPolarHBondContact O-CA 3.47Å; A333-K336 WeakPolarHBondContact O-CB 3.38Å; A333-K336 PolarHBondContact O-N 2.93Å; A333-G337 PolarHBondContact O-N 2.9Å; A333-R338 HydrophobicContact CB-CB 4.24Å; A333-R338 WeakPolarHBondContact O-CB 3.42Å; A333-R338 PolarHBondContact O-N 3.24Å; A333-L340 HydrophobicContact CB-CD2 4.28Å |
| 334 | R | 89.3 | Confident | 89.5 | Confident | 86 Ų | 86 | 99.4 Ų | 99.4 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 174.6 | -69.5 | 179.5 | 179.7 | 171.7 | 3.9 | 112.4 | K330 N331 K336 G337 L340 D343 | K330-R334 PolarHBondContact O-N 3Å; N331-R334 PolarHBondContact O-N 2.77Å; R334-K336 PolarHBondContact O-N 3.5Å; R334-K336 VanDerWaalsContact O-N 3.16Å; R334-G337 PolarHBondContact O-N 3.47Å; R334-L340 HydrophobicContact CG-CD1 4.1Å; R334-D343 IonicContact CZ-OD1 3.1Å; R334-D343 IonicContact CZ-OD2 3.49Å; R334-D343 IonicContact NE-OD1 3.31Å; R334-D343 PolarHBondContact NE-OD1 3.39Å; R334-D343 IonicContact NE-OD2 2.84Å; R334-D343 PolarHBondContact NE-OD2 2.91Å; R334-D343 IonicContact NH2-OD1 2.63Å; R334-D343 PolarHBondContact NH2-OD1 3.05Å; R334-D343 IonicContact NH2-OD2 3.48Å; R334-D343 PolarHBondContact NH2-OD2 3.41Å |
| 335 | K | 91.9 | Very high | 88.8 | Confident | 192 Ų | 192 | 104.7 Ų | 104.7 | 84% | 0.835 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -22.3 | 174.9 | -75.3 | -174.9 | 178.9 | -163.7 | 0 | 114 | N331 A333 G337 | N331-K335 WeakPolarHBondContact O-CB 3.41Å; N331-K335 WeakPolarHBondContact O-CG 3.45Å; N331-K335 PolarHBondContact O-N 3.03Å; A333-K335 PolarHBondContact O-N 3.4Å; K335-G337 VanDerWaalsContact C-N 3.32Å |
| 336 | K | 92.9 | Very high | 88 | Confident | 149 Ų | 149 | 105.5 Ų | 105.5 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 10.6 | 174.5 | -70.9 | -176.6 | 171.7 | -156.2 | 0 | 112.7 | K332 A333 R334 R338 | K332-K336 WeakPolarHBondContact O-CG 3.29Å; K332-K336 PolarHBondContact O-N 3.1Å; A333-K336 CarbonylContact O-C 3.51Å; A333-K336 WeakPolarHBondContact O-CA 3.47Å; A333-K336 WeakPolarHBondContact O-CB 3.38Å; A333-K336 PolarHBondContact O-N 2.93Å; R334-K336 PolarHBondContact O-N 3.5Å; R334-K336 VanDerWaalsContact O-N 3.16Å; K336-R338 VanDerWaalsContact C-N 3.3Å; K336-R338 PolarHBondContact O-N 3.41Å |
| 337 | G | 87.8 | Confident | 87.1 | Confident | 66 Ų | 66 | 104.6 Ų | 104.6 | 68% | 0.68 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 9.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | A333 R334 K335 | A333-G337 PolarHBondContact O-N 2.9Å; R334-G337 PolarHBondContact O-N 3.47Å; K335-G337 VanDerWaalsContact C-N 3.32Å |
| 338 | R | 88.1 | Confident | 86.2 | Confident | 179 Ų | 179 | 105.3 Ų | 105.3 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 122 | 176.7 | -65.4 | -178.3 | 178.4 | -166.8 | -4 | 110.2 | A333 K336 | A333-R338 HydrophobicContact CB-CB 4.24Å; A333-R338 WeakPolarHBondContact O-CB 3.42Å; A333-R338 PolarHBondContact O-N 3.24Å; K336-R338 VanDerWaalsContact C-N 3.3Å; K336-R338 PolarHBondContact O-N 3.41Å |
| 339 | V | 81.8 | Confident | 84.5 | Confident | 103 Ų | 103 | 106.2 Ų | 106.2 | 62% | 0.624 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 127.6 | 174.2 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | D343 L344 | V339-D343 HydrophobicContact CG1-CB 4.41Å; V339-L344 HydrophobicContact CG1-CD2 3.76Å; V339-L344 HydrophobicContact CG1-CG 3.89Å |
| 340 | L | 84 | Confident | 84.1 | Confident | 34 Ų | 34 | 103.3 Ų | 103.3 | 18% | 0.178 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 151.9 | 177.6 | -64.9 | 170.8 | 0 | 0 | 0 | 110.7 | K330 A333 R334 E342 D343 L344 | K330-L340 HydrophobicContact CB-CD1 3.54Å; K330-L340 HydrophobicContact CD-CD1 4.35Å; K330-L340 HydrophobicContact CG-CD1 3.78Å; A333-L340 HydrophobicContact CB-CD2 4.28Å; R334-L340 HydrophobicContact CG-CD1 4.1Å; L340-E342 PolarHBondContact O-N 3.07Å; L340-E342 VanDerWaalsContact O-N 3.08Å; L340-D343 WeakPolarHBondContact O-CB 3.47Å; L340-D343 PolarHBondContact O-N 3.3Å; L340-L344 PolarHBondContact O-N 3.16Å |
| 341 | P | 83.1 | Confident | 83.7 | Confident | 91 Ų | 91 | 106.5 Ų | 106.5 | 59% | 0.591 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -56.3 | -28.1 | 176.6 | -26.8 | 34.7 | 0 | 0 | 0 | 114.3 | D343 K345 | P341-D343 VanDerWaalsContact C-N 3.33Å; P341-K345 WeakPolarHBondContact O-CG 3.26Å; P341-K345 PolarHBondContact O-N 3.48Å; P341-K345 VanDerWaalsContact O-N 3.16Å |
| 342 | E | 82.6 | Confident | 83.3 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.6 | -29.5 | 174.9 | -67.3 | 177.7 | 178.7 | 0 | 0 | 113 | K330 L340 K346 | K330-E342 WeakPolarHBondContact CE-OE1 3.39Å; K330-E342 WeakPolarHBondContact CE-OE2 3.5Å; K330-E342 IonicContact NZ-OE1 2.67Å; K330-E342 PolarHBondContact NZ-OE1 3.39Å; K330-E342 IonicContact NZ-OE2 2.74Å; K330-E342 PolarHBondContact NZ-OE2 3.16Å; L340-E342 PolarHBondContact O-N 3.07Å; L340-E342 VanDerWaalsContact O-N 3.08Å; E342-K346 WeakPolarHBondContact O-CG 3.45Å; E342-K346 PolarHBondContact O-N 2.92Å |
| 343 | D | 78.1 | Confident | 82.7 | Confident | 39 Ų | 39 | 106.4 Ų | 106.4 | 21% | 0.209 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -77.8 | -35.4 | 178.8 | -61.7 | -38.5 | 0 | 0 | 0 | 110.4 | R334 V339 L340 P341 K346 A347 | R334-D343 IonicContact CZ-OD1 3.1Å; R334-D343 IonicContact CZ-OD2 3.49Å; R334-D343 IonicContact NE-OD1 3.31Å; R334-D343 PolarHBondContact NE-OD1 3.39Å; R334-D343 IonicContact NE-OD2 2.84Å; R334-D343 PolarHBondContact NE-OD2 2.91Å; R334-D343 IonicContact NH2-OD1 2.63Å; R334-D343 PolarHBondContact NH2-OD1 3.05Å; R334-D343 IonicContact NH2-OD2 3.48Å; R334-D343 PolarHBondContact NH2-OD2 3.41Å; V339-D343 HydrophobicContact CG1-CB 4.41Å; L340-D343 WeakPolarHBondContact O-CB 3.47Å; L340-D343 PolarHBondContact O-N 3.3Å; P341-D343 VanDerWaalsContact C-N 3.33Å; D343-K346 PolarHBondContact O-N 3.08Å; D343-A347 PolarHBondContact O-N 3.46Å |
| 344 | L | 79.9 | Confident | 82.1 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.2 | -41.8 | 171.2 | -63.7 | 175.1 | 0 | 0 | 0 | 112 | V339 L340 K346 A347 A348 | V339-L344 HydrophobicContact CG1-CD2 3.76Å; V339-L344 HydrophobicContact CG1-CG 3.89Å; L340-L344 PolarHBondContact O-N 3.16Å; L344-K346 VanDerWaalsContact C-N 3.29Å; L344-K346 PolarHBondContact O-N 3.02Å; L344-A347 PolarHBondContact O-N 3.35Å; L344-A348 WeakPolarHBondContact O-CB 3.37Å; L344-A348 PolarHBondContact O-N 3.01Å; L344-A348 VanDerWaalsContact O-N 3.11Å |
| 345 | K | 82.8 | Confident | 81.6 | Confident | 158 Ų | 158 | 113.5 Ų | 113.5 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.5 | -29.1 | 175.3 | -72.4 | -179.1 | -179 | -170.3 | 0 | 113.4 | P341 | P341-K345 WeakPolarHBondContact O-CG 3.26Å; P341-K345 PolarHBondContact O-N 3.48Å; P341-K345 VanDerWaalsContact O-N 3.16Å |
| 346 | K | 80.2 | Confident | 80.9 | Confident | 144 Ų | 144 | 107.9 Ų | 107.9 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.2 | -23.8 | 175.2 | -78.3 | 179.6 | 178.8 | -173.9 | 0 | 113.7 | E342 D343 L344 | E342-K346 WeakPolarHBondContact O-CG 3.45Å; E342-K346 PolarHBondContact O-N 2.92Å; D343-K346 PolarHBondContact O-N 3.08Å; L344-K346 VanDerWaalsContact C-N 3.29Å; L344-K346 PolarHBondContact O-N 3.02Å |
| 347 | A | 76.1 | Confident | 80 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -88.8 | -16.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D343 L344 | D343-A347 PolarHBondContact O-N 3.46Å; L344-A347 PolarHBondContact O-N 3.35Å |
| 348 | A | 75.7 | Confident | 79.3 | Confident | 91 Ų | 91 | 107.9 Ų | 107.9 | 75% | 0.752 | 59% | 0.59 | S | S | * | * | trans | -88.1 | -4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L344 | L344-A348 WeakPolarHBondContact O-CB 3.37Å; L344-A348 PolarHBondContact O-N 3.01Å; L344-A348 VanDerWaalsContact O-N 3.11Å | ||
| 349 | V | 59.5 | Low | 78.5 | Confident | 175 Ų | 175 | 101.5 Ų | 101.5 | 100% | 1.061 | 58% | 0.583 | S | S | * | * | trans | -106.9 | 0 | 167 | -179.8 | 0 | 0 | 0 | 0 | 106.5 |
Retrieved 349 of 349 residues in 202.1 ms
(Link to these results)