| 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 | 36.6 | Very low | 32.9 | Very low | 163 Ų | 163 | 104.3 Ų | 104.3 | 80% | 0.803 | 53% | 0.532 | S | S | * | . | 0 | -13.9 | 0 | 67.1 | -69.8 | -162.9 | 0 | 0 | 114.3 | S7 T9 | M1-S7 PolarHBondContact N-O 2.8Å; M1-S7 VanDerWaalsContact SD-O 3.35Å; M1-T9 HydrophobicContact CG-CG2 4.18Å; M1-T9 VanDerWaalsContact O-CB 3.31Å; M1-T9 WeakPolarHBondContact O-CB 3.34Å; M1-T9 PolarHBondContact O-OG1 2.83Å | |||
| 2 | R | 31.4 | Very low | 33.1 | Very low | 71 Ų | 71 | 99.5 Ų | 99.5 | 27% | 0.268 | 50% | 0.502 | S | S | . | . | trans | -57 | 163.7 | 159 | -152.2 | -169.4 | -79.2 | 165.2 | -16.7 | 110.2 | Q4 D5 S7 G8 | R2-Q4 HydrophobicContact CB-CG 4.02Å; R2-Q4 PolarHBondContact O-N 3.15Å; R2-D5 IonicContact CZ-OD2 3.83Å; R2-D5 PolarHBondContact NH1-O 3.43Å; R2-D5 IonicContact NH1-OD2 2.8Å; R2-D5 PolarHBondContact NH1-OD2 2.71Å; R2-S7 PolarHBondContact N-O 2.71Å; R2-G8 VanDerWaalsContact CB-O 3.23Å; R2-G8 WeakPolarHBondContact CB-O 2.93Å; R2-G8 WeakPolarHBondContact CG-O 3.31Å; R2-G8 PolarHBondContact NE-O 2.81Å | ||
| 3 | V | 25 | Very low | 33.1 | Very low | 120 Ų | 120 | 104.7 Ų | 104.7 | 73% | 0.727 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -59.9 | 96.7 | 136.5 | 169.5 | 0 | 0 | 0 | 0 | 105.3 | ||
| 4 | Q | 27.1 | Very low | 33 | Very low | 116 Ų | 116 | 102.1 Ų | 102.1 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -66.4 | 143.2 | -169.3 | -78.3 | -170.5 | -12.5 | 0 | 0 | 110.4 | R2 T6 S7 | R2-Q4 HydrophobicContact CB-CG 4.02Å; R2-Q4 PolarHBondContact O-N 3.15Å; Q4-T6 PolarHBondContact NE2-O 3.1Å; Q4-S7 PolarHBondContact NE2-O 2.78Å |
| 5 | D | 38.6 | Very low | 33.2 | Very low | 103 Ų | 103 | 102.1 Ų | 102.1 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | S | Bend | cis | -40.7 | 121.8 | 46.8 | 172.7 | 46.2 | 0 | 0 | 0 | 119.4 | R2 S7 | R2-D5 IonicContact CZ-OD2 3.83Å; R2-D5 PolarHBondContact NH1-O 3.43Å; R2-D5 IonicContact NH1-OD2 2.8Å; R2-D5 PolarHBondContact NH1-OD2 2.71Å; D5-S7 VanDerWaalsContact C-N 3.29Å; D5-S7 PolarHBondContact O-N 3.07Å |
| 6 | T | 35.7 | Very low | 33.6 | Very low | 109 Ų | 109 | 102.9 Ų | 102.9 | 67% | 0.669 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 18.8 | -17.2 | 169.3 | 59.2 | 0 | 0 | 0 | 0 | 124.3 | Q4 | Q4-T6 PolarHBondContact NE2-O 3.1Š|
| 7 | S | 35.1 | Very low | 34.1 | Very low | 60 Ų | 60 | 101.8 Ų | 101.8 | 42% | 0.42 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -142.3 | -110.3 | -170.6 | 61.2 | 0 | 0 | 0 | 0 | 117.1 | M1 R2 Q4 D5 | M1-S7 PolarHBondContact N-O 2.8Å; M1-S7 VanDerWaalsContact SD-O 3.35Å; R2-S7 PolarHBondContact N-O 2.71Å; Q4-S7 PolarHBondContact NE2-O 2.78Å; D5-S7 VanDerWaalsContact C-N 3.29Å; D5-S7 PolarHBondContact O-N 3.07Å |
| 8 | G | 29.8 | Very low | 34.2 | Very low | 16 Ų | 16 | 102.4 Ų | 102.4 | 17% | 0.165 | 56% | 0.56 | C | S | . | * | trans | -111.3 | 158.3 | -155.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | R2 | R2-G8 VanDerWaalsContact CB-O 3.23Å; R2-G8 WeakPolarHBondContact CB-O 2.93Å; R2-G8 WeakPolarHBondContact CG-O 3.31Å; R2-G8 PolarHBondContact NE-O 2.81Å | ||
| 9 | T | 31.5 | Very low | 34.5 | Very low | 81 Ų | 81 | 101.2 Ų | 101.2 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | trans | -121.2 | 168.9 | -155.1 | -154 | 0 | 0 | 0 | 0 | 116 | M1 | M1-T9 HydrophobicContact CG-CG2 4.18Å; M1-T9 VanDerWaalsContact O-CB 3.31Å; M1-T9 WeakPolarHBondContact O-CB 3.34Å; M1-T9 PolarHBondContact O-OG1 2.83Å | ||
| 10 | Y | 32.8 | Very low | 34.7 | Very low | 171 Ų | 171 | 103.3 Ų | 103.3 | 67% | 0.671 | 56% | 0.562 | S | S | * | * | trans | -142.8 | 135.3 | -168.9 | -50.8 | -61.5 | 0 | 0 | 0 | 115.2 | ||||
| 11 | Y | 38.5 | Very low | 35 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | trans | -149.7 | 120.8 | 155.4 | -74.7 | -39.6 | 0 | 0 | 0 | 111.2 | V355 | Y11-V355 HydrophobicContact CD1-CB 3.9Å; Y11-V355 HydrophobicContact CD1-CG2 4.22Å; Y11-V355 HydrophobicContact CE1-CB 3.42Å; Y11-V355 VanDerWaalsContact CE1-CB 3.42Å; Y11-V355 HydrophobicContact CE1-CG1 3.62Å; Y11-V355 HydrophobicContact CE1-CG2 3.82Å; Y11-V355 WeakPolarHBondContact OH-CG1 3.15Å | ||
| 12 | W | 34.8 | Very low | 35.1 | Very low | 47 Ų | 47 | 108.7 Ų | 108.7 | 18% | 0.178 | 57% | 0.572 | C | S | . | * | trans | 62.7 | 129.7 | 144.2 | -67.7 | 98.6 | 0 | 0 | 0 | 124.2 | L353 A354 F362 S388 Q392 | W12-L353 HydrophobicContact CD2-CD1 4.28Å; W12-L353 HydrophobicContact CD2-CG 4.29Å; W12-L353 HydrophobicContact CE3-CD1 4.11Å; W12-L353 HydrophobicContact CE3-CD2 4.32Å; W12-L353 HydrophobicContact CE3-CG 3.71Å; W12-L353 HydrophobicContact CH2-CD1 3.28Å; W12-L353 HydrophobicContact CH2-CD2 3.73Å; W12-L353 HydrophobicContact CH2-CG 3.54Å; W12-L353 HydrophobicContact CZ2-CD1 3.52Å; W12-L353 HydrophobicContact CZ2-CG 4.17Å; W12-L353 HydrophobicContact CZ3-CD1 3.63Å; W12-L353 HydrophobicContact CZ3-CD2 3.49Å; W12-L353 VanDerWaalsContact CZ3-CD2 3.49Å; W12-L353 HydrophobicContact CZ3-CG 3.29Å; W12-A354 HydrophobicContact CG-CB 4.44Å; W12-F362 HydrophobicContact CZ2-CE2 4.49Å; W12-S388 VanDerWaalsContact CH2-O 3.25Å; W12-S388 WeakPolarHBondContact CH2-O 3.36Å; W12-S388 WeakPolarHBondContact CZ2-O 3.44Å; W12-Q392 HydrophobicContact CH2-CB 3.5Å; W12-Q392 HydrophobicContact CH2-CG 3.77Å; W12-Q392 HydrophobicContact CZ2-CB 4.47Å; W12-Q392 HydrophobicContact CZ3-CB 3.92Å; W12-Q392 HydrophobicContact CZ3-CG 3.66Å | ||
| 13 | H | 33 | Very low | 35.2 | Very low | 167 Ų | 167 | 110.7 Ų | 110.7 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | trans | -131 | 120.9 | 170.2 | -86 | -82.1 | 0 | 0 | 0 | 111.3 | ||||
| 14 | I | 32.8 | Very low | 35.8 | Very low | 69 Ų | 69 | 110.3 Ų | 110.3 | 35% | 0.354 | 59% | 0.594 | S | S | . | * | trans | -144.1 | 176.8 | 155 | -6.8 | -163.3 | 0 | 0 | 0 | 110.6 | F352 L353 | I14-F352 HydrophobicContact CD1-CD2 4.36Å; I14-F352 HydrophobicContact CG1-CD2 3.97Å; I14-F352 HydrophobicContact CG1-CE2 4.28Å; I14-L353 HydrophobicContact CD1-CB 3.92Å; I14-L353 HydrophobicContact CD1-CD2 4.17Å; I14-L353 HydrophobicContact CD1-CG 4.16Å | ||
| 15 | P | 36.1 | Very low | 36.3 | Very low | 101 Ų | 101 | 108.2 Ų | 108.2 | 66% | 0.656 | 60% | 0.604 | S | S | * | * | S | Bend | -119.9 | 117.1 | -109.6 | 37.9 | -21.4 | 0 | 0 | 0 | 115.9 | |||
| 16 | T | 38.9 | Very low | 36.2 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | trans | -131.2 | -6.6 | 167.4 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | T18 | T16-T18 PolarHBondContact O-N 3.03Å; T16-T18 PolarHBondContact OG1-OG1 2.66Å | ||
| 17 | G | 41.8 | Very low | 36.1 | Very low | 85 Ų | 85 | 114.9 Ų | 114.9 | 88% | 0.876 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 74.1 | -2.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 18 | T | 36.8 | Very low | 35.8 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | trans | -101.6 | 108.5 | 174.2 | 32.9 | 0 | 0 | 0 | 0 | 110.6 | T16 Q20 | T16-T18 PolarHBondContact O-N 3.03Å; T16-T18 PolarHBondContact OG1-OG1 2.66Å; T18-Q20 PolarHBondContact O-N 2.93Å | ||
| 19 | T | 39.7 | Very low | 36.4 | Very low | 80 Ų | 80 | 121.9 Ų | 121.9 | 49% | 0.491 | 67% | 0.673 | S | S | . | * | trans | -82.7 | 114.3 | 173.3 | -44.2 | 0 | 0 | 0 | 0 | 110 | W21 | T19-W21 HydrophobicContact CG2-CD2 3.67Å; T19-W21 VanDerWaalsContact CG2-CE2 3.46Å; T19-W21 HydrophobicContact CG2-CE3 3.87Å; T19-W21 HydrophobicContact CG2-CG 4.38Å; T19-W21 HydrophobicContact CG2-CH2 3.76Å; T19-W21 HydrophobicContact CG2-CZ2 3.53Å; T19-W21 HydrophobicContact CG2-CZ3 3.91Å | ||
| 20 | Q | 37.2 | Very low | 36.4 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | trans | -88.7 | 115.1 | 167.1 | -179.6 | 173.2 | -15.3 | 0 | 0 | 108.8 | T18 E22 | T18-Q20 PolarHBondContact O-N 2.93Å; Q20-E22 WeakPolarHBondContact CG-O 3.07Å; Q20-E22 PolarHBondContact NE2-O 2.88Å | ||
| 21 | W | 42.8 | Very low | 36.4 | Very low | 226 Ų | 226 | 124.2 Ų | 124.2 | 86% | 0.856 | 70% | 0.697 | S | S | * | * | trans | -90.8 | -9.3 | -175.3 | -57.3 | 102.6 | 0 | 0 | 0 | 114.1 | T19 | T19-W21 HydrophobicContact CG2-CD2 3.67Å; T19-W21 VanDerWaalsContact CG2-CE2 3.46Å; T19-W21 HydrophobicContact CG2-CE3 3.87Å; T19-W21 HydrophobicContact CG2-CG 4.38Å; T19-W21 HydrophobicContact CG2-CH2 3.76Å; T19-W21 HydrophobicContact CG2-CZ2 3.53Å; T19-W21 HydrophobicContact CG2-CZ3 3.91Å | ||
| 22 | E | 37.3 | Very low | 36 | Very low | 154 Ų | 154 | 121 Ų | 121 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -123.4 | 142.9 | -173.7 | -63.4 | -175.2 | 161 | 0 | 0 | 111.5 | Q20 | Q20-E22 WeakPolarHBondContact CG-O 3.07Å; Q20-E22 PolarHBondContact NE2-O 2.88Å |
| 23 | P | 33.4 | Very low | 35.7 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.3 | -179.5 | 28.1 | -35.3 | 0 | 0 | 0 | 111.5 | G25 | P23-G25 PolarHBondContact O-N 3.49Å; P23-G25 VanDerWaalsContact O-N 3.1Å |
| 24 | P | 39.1 | Very low | 35.4 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 119.7 | 170.7 | -25.6 | 34.8 | 0 | 0 | 0 | 110.8 | R26 | P24-R26 PolarHBondContact O-N 3.31Š|
| 25 | G | 37.7 | Very low | 36 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 135.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P23 A27 | P23-G25 PolarHBondContact O-N 3.49Å; P23-G25 VanDerWaalsContact O-N 3.1Å; G25-A27 PolarHBondContact O-N 3.25Å |
| 26 | R | 35.1 | Very low | 35.5 | Very low | 255 Ų | 255 | 128.7 Ų | 128.7 | 96% | 0.962 | 77% | 0.771 | S | S | * | * | trans | -62.6 | 100.9 | 173.5 | -98.3 | -174.8 | 167.8 | -173.9 | -3 | 110 | P24 S28 | P24-R26 PolarHBondContact O-N 3.31Å; R26-S28 PolarHBondContact O-N 2.97Å | ||
| 27 | A | 34.1 | Very low | 34.9 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -74.2 | 105.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G25 | G25-A27 PolarHBondContact O-N 3.25Š| ||
| 28 | S | 29.6 | Very low | 34.2 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 176.5 | 144.6 | 156.1 | -82.3 | 0 | 0 | 0 | 0 | 111.2 | R26 | R26-S28 PolarHBondContact O-N 2.97Š| ||
| 29 | P | 40.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -134.1 | 161 | -43.1 | 37.2 | -22.3 | 0 | 0 | 0 | 113 | ||||
| 30 | S | 33.4 | Very low | 32.9 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 68.9 | 152.5 | 174.1 | 85.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 31 | Q | 31.6 | Very low | 32.4 | Very low | 188 Ų | 188 | 138.4 Ų | 138.4 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | cis | -122.3 | -174.9 | 1.2 | -69.1 | -177.7 | -4.6 | 0 | 0 | 111.5 | ||||
| 32 | G | 29.3 | Very low | 31.4 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -67.6 | 171.3 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 33 | S | 28.8 | Very low | 30.9 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | -152.2 | -172.6 | 57.2 | -60.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 34 | S | 28.2 | Very low | 30.6 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -80.7 | 169.5 | -165.1 | 46.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 35 | P | 43.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -112.6 | 165.9 | -157.2 | 42.2 | -35.2 | 0 | 0 | 0 | 117.2 | ||||
| 36 | Q | 25.6 | Very low | 29.1 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -166.1 | 155.5 | 160.1 | -104 | 178.2 | -71.9 | 0 | 0 | 107.4 | ||||
| 37 | E | 27.3 | Very low | 28.6 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | cis | -153.5 | 167.2 | -14 | -160.3 | 168.1 | 141.6 | 0 | 0 | 108.7 | ||||
| 38 | E | 26.9 | Very low | 28.1 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -88.7 | 134.8 | 174.6 | -179.2 | -170.6 | 155.5 | 0 | 0 | 111.3 | ||||
| 39 | S | 24.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -168.3 | 163.1 | 148.1 | 22.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 40 | Q | 24.1 | Very low | 27.2 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | trans | -99.7 | 159.8 | -162.5 | -57.4 | 171.8 | 6.8 | 0 | 0 | 113.5 | ||||
| 41 | L | 27.7 | Very low | 26.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | 40.1 | 124 | 140.2 | -62.4 | 166.4 | 0 | 0 | 0 | 119.7 | ||||
| 42 | T | 22.7 | Very low | 26.4 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -169.3 | 174.7 | 113.2 | 16.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 43 | W | 25.2 | Very low | 26.3 | Very low | 236 Ų | 236 | 148.1 Ų | 148.1 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | -106 | 177.6 | -172.9 | -114.4 | 68.7 | 0 | 0 | 0 | 112.6 | ||||
| 44 | T | 26.8 | Very low | 26.1 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | 88.4 | 144.8 | 165 | 76.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 45 | G | 22.2 | Very low | 26 | Very low | 76 Ų | 76 | 148.4 Ų | 148.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 147.1 | 100.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 46 | F | 23.3 | Very low | 25.2 | Very low | 222 Ų | 222 | 151.6 Ų | 151.6 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | trans | -102.3 | 142 | 172.6 | -80.1 | -99.7 | 0 | 0 | 0 | 110.9 | ||||
| 47 | A | 24.6 | Very low | 25.3 | Very low | 102 Ų | 102 | 152.1 Ų | 152.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -161.7 | 155.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 48 | H | 24 | Very low | 25.4 | Very low | 175 Ų | 175 | 154.4 Ų | 154.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -71.6 | -178.4 | 176.1 | -69.7 | -102.4 | 0 | 0 | 0 | 113.1 | ||||
| 49 | Q | 25.3 | Very low | 25.2 | Very low | 154 Ų | 154 | 154.3 Ų | 154.3 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | cis | -158.1 | -172.5 | 18.4 | -140.9 | 150 | -59.4 | 0 | 0 | 108.5 | ||||
| 50 | E | 26.2 | Very low | 25.3 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -161.6 | 162.1 | 10.4 | -178 | 55.4 | -72.5 | 0 | 0 | 110.7 | ||||
| 51 | G | 24.7 | Very low | 25.4 | Very low | 56 Ų | 56 | 154.2 Ų | 154.2 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | trans | 92.1 | 121.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 52 | F | 23.7 | Very low | 25.8 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | cis | 66 | 128.7 | 47.2 | -120.9 | -106.6 | 0 | 0 | 0 | 112.3 | E54 | F52-E54 HydrophobicContact CD1-CG 4.44Å; F52-E54 HydrophobicContact CE1-CG 3.56Å; F52-E54 HydrophobicContact CZ-CG 3.71Å | ||
| 53 | E | 26.9 | Very low | 26 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | -127.7 | -170.3 | 52.2 | -60.7 | -179.7 | 119 | 0 | 0 | 117 | |||||
| 54 | E | 25.2 | Very low | 26 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -95.5 | 173.6 | -165.4 | -57.9 | 171 | 121.8 | 0 | 0 | 115.5 | F52 | F52-E54 HydrophobicContact CD1-CG 4.44Å; F52-E54 HydrophobicContact CE1-CG 3.56Å; F52-E54 HydrophobicContact CZ-CG 3.71Å | ||
| 55 | G | 26.2 | Very low | 26 | Very low | 79 Ų | 79 | 151.7 Ų | 151.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 173.2 | 74.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 56 | E | 27.2 | Very low | 26.3 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -80.7 | 143.5 | -178.8 | -57.3 | -171.2 | 126.3 | 0 | 0 | 114.3 | ||||
| 57 | F | 25.8 | Very low | 26.9 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -155.4 | 87.5 | 158.2 | -150.6 | -107.9 | 0 | 0 | 0 | 113.6 | ||||
| 58 | W | 29.9 | Very low | 26.8 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | 62 | 96.9 | 153.1 | -54.1 | 114.5 | 0 | 0 | 0 | 121.7 | ||||
| 59 | K | 23.6 | Very low | 26.9 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 68% | 0.683 | 78% | 0.784 | S | S | * | * | -7.1 | 158.1 | 105.8 | -79.5 | -174.6 | 137.7 | -71.1 | 0 | 116.7 | |||||
| 60 | D | 25.3 | Very low | 27 | Very low | 111 Ų | 111 | 152.2 Ų | 152.2 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | cis | -166.6 | 171.5 | 10.4 | -96.3 | -13.1 | 0 | 0 | 0 | 106 | ||||
| 61 | E | 26.6 | Very low | 26.9 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | cis | -163.6 | 171.8 | -12.8 | -99.1 | -81.5 | 74.6 | 0 | 0 | 106.5 | ||||
| 62 | P | 36.9 | Very low | 27.1 | Very low | 112 Ų | 112 | 153.9 Ų | 153.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -91.3 | 176.9 | -169.2 | 37.5 | -39.5 | 0 | 0 | 0 | 115.7 | ||||
| 63 | S | 25.4 | Very low | 27.2 | Very low | 119 Ų | 119 | 155.2 Ų | 155.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -140.9 | 138.5 | 164.2 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 64 | E | 27 | Very low | 27.2 | Very low | 185 Ų | 185 | 153 Ų | 153 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -78 | 164.5 | 172.8 | -56.4 | 179.1 | 106.8 | 0 | 0 | 111.8 | ||||
| 65 | E | 26 | Very low | 27.8 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | -176.4 | 166.7 | 112.4 | -100.4 | -179 | -161.8 | 0 | 0 | 112.3 | |||||
| 66 | A | 28.5 | Very low | 27.9 | Very low | 88 Ų | 88 | 155 Ų | 155 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -114.6 | 165.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 67 | P | 35.1 | Very low | 27.9 | Very low | 130 Ų | 130 | 155.6 Ų | 155.6 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | trans | -81.6 | 156.8 | -158.8 | 32.6 | -36.4 | 0 | 0 | 0 | 115.1 | ||||
| 68 | M | 24 | Very low | 28 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 95% | 0.946 | 81% | 0.81 | S | S | * | * | trans | -121.5 | 159.7 | 165.1 | -107.4 | -175.3 | -74.6 | 0 | 0 | 111.3 | ||||
| 69 | E | 26.5 | Very low | 27.9 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | trans | -129.3 | 174.7 | -165.9 | -115.2 | -84.8 | -171.1 | 0 | 0 | 111.2 | ||||
| 70 | L | 25.5 | Very low | 28 | Very low | 163 Ų | 163 | 148.4 Ų | 148.4 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 76.2 | 125.1 | 175 | -50.3 | 177 | 0 | 0 | 0 | 118.3 | ||||
| 71 | G | 24 | Very low | 28.1 | Very low | 80 Ų | 80 | 148.1 Ų | 148.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 174.4 | 64.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 72 | L | 28.7 | Very low | 28.1 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | trans | -76.6 | 143.8 | -178.2 | -69.7 | 167.4 | 0 | 0 | 0 | 114.4 | ||||
| 73 | K | 26 | Very low | 27.8 | Very low | 202 Ų | 202 | 150.9 Ų | 150.9 | 88% | 0.878 | 84% | 0.838 | S | S | * | * | trans | -175.8 | 123 | 137.7 | -109.6 | 173.1 | -179.3 | -176.8 | 0 | 114.9 | ||||
| 74 | D | 27.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 78% | 0.775 | 84% | 0.837 | S | S | * | * | trans | -81 | 166.2 | 156.3 | -47.9 | -84.2 | 0 | 0 | 0 | 110.5 | ||||
| 75 | P | 39 | Very low | 27.7 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 71% | 0.708 | 84% | 0.841 | S | S | * | * | -138.5 | -179.6 | 79.3 | 21 | 3.1 | 0 | 0 | 0 | 112.8 | |||||
| 76 | E | 28.3 | Very low | 27.9 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | cis | -165.2 | 138.9 | -11.1 | -111.7 | 166.4 | 142.6 | 0 | 0 | 107.1 | ||||
| 77 | E | 27.6 | Very low | 27.7 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 95% | 0.949 | 84% | 0.842 | S | S | * | * | trans | -158.7 | 159 | 141.1 | -134 | -179.6 | 170.1 | 0 | 0 | 111.7 | ||||
| 78 | A | 27.8 | Very low | 27.4 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -103.8 | 147.5 | -150.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 79 | T | 27.1 | Very low | 28 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -78.4 | 138.5 | 172.5 | -50.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 80 | L | 26.5 | Very low | 28 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | trans | -137.5 | 144.6 | 153.2 | -78.2 | -178.3 | 0 | 0 | 0 | 111.2 | ||||
| 81 | S | 25.5 | Very low | 28.5 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -102.6 | 156.1 | -167.9 | -58.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 82 | F | 26.7 | Very low | 28.6 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -60.3 | 156.5 | 164.6 | -61.8 | -87.4 | 0 | 0 | 0 | 112.4 | ||||
| 83 | P | 30.5 | Very low | 28.7 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -121.7 | 144.6 | 126.5 | 35.2 | -31 | 0 | 0 | 0 | 111.5 | |||||
| 84 | A | 26 | Very low | 28.8 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -104.3 | 143.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 85 | Q | 25.5 | Very low | 29.1 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -131.6 | 140.6 | 157 | -71.8 | -166.7 | -7.3 | 0 | 0 | 109.1 | ||||
| 86 | S | 29 | Very low | 28.7 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -83.7 | 152.9 | -173.2 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 87 | L | 25.6 | Very low | 29 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -159.7 | 146.6 | 135.9 | -105.6 | 167 | 0 | 0 | 0 | 110.2 | ||||
| 88 | S | 28.3 | Very low | 29.1 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -147.6 | 148.6 | 172.6 | -50.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 89 | P | 36.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | -152.7 | 143.3 | 72.2 | 39 | -18.5 | 0 | 0 | 0 | 118 | |||||
| 90 | E | 27.3 | Very low | 29.4 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 65.7 | 173.2 | 136.7 | -112.6 | 179.3 | 119.8 | 0 | 0 | 120 | ||||
| 91 | P | 35.1 | Very low | 29.8 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | -125.5 | 162.8 | -104 | 42.2 | -28.1 | 0 | 0 | 0 | 115.8 | |||||
| 92 | V | 26.7 | Very low | 30.3 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -132.1 | 133.2 | 163.9 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | Q94 | V92-Q94 PolarHBondContact O-N 2.72Å; V92-Q94 VanDerWaalsContact O-N 3.15Å | ||
| 93 | P | 29.8 | Very low | 30.6 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -69.3 | 115.3 | -168.1 | 26.6 | -34.8 | 0 | 0 | 0 | 111.6 | E95 | P93-E95 PolarHBondContact O-N 2.8Š| ||
| 94 | Q | 29.5 | Very low | 31 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -74.7 | 117.5 | 161.6 | -169.9 | 168.2 | 8.1 | 0 | 0 | 107.5 | V92 E96 | V92-Q94 PolarHBondContact O-N 2.72Å; V92-Q94 VanDerWaalsContact O-N 3.15Å; Q94-E96 PolarHBondContact O-N 2.82Å; Q94-E96 VanDerWaalsContact O-N 3.07Å | ||
| 95 | E | 33.2 | Very low | 31.8 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -64.5 | 110.5 | 178 | -64.9 | -176.5 | 128.3 | 0 | 0 | 109.1 | P93 E97 | P93-E95 PolarHBondContact O-N 2.8Å; E95-E97 PolarHBondContact O-N 3.14Å; E95-E97 VanDerWaalsContact O-N 3.1Å | ||
| 96 | E | 31.6 | Very low | 33.3 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -58.3 | 114.1 | 159.7 | -70.9 | -173.6 | 127.4 | 0 | 0 | 107.1 | Q94 K98 | Q94-E96 PolarHBondContact O-N 2.82Å; Q94-E96 VanDerWaalsContact O-N 3.07Å; E96-K98 HydrophobicContact CB-CG 4.16Å; E96-K98 PolarHBondContact O-N 3.16Å; E96-K98 WeakPolarHBondContact OE2-CE 3.33Å; E96-K98 IonicContact OE2-NZ 3.52Å | ||
| 97 | E | 33.8 | Very low | 35.1 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -65.1 | 80 | 160.4 | -80 | -160.8 | 104 | 0 | 0 | 108.5 | E95 L99 | E95-E97 PolarHBondContact O-N 3.14Å; E95-E97 VanDerWaalsContact O-N 3.1Å; E97-L99 PolarHBondContact O-N 2.89Å | ||
| 98 | K | 28.9 | Very low | 38 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | trans | -63.8 | 87.8 | 166.4 | -75.9 | -176.8 | -179.1 | 172.2 | 0 | 107.6 | E96 S100 | E96-K98 HydrophobicContact CB-CG 4.16Å; E96-K98 PolarHBondContact O-N 3.16Å; E96-K98 WeakPolarHBondContact OE2-CE 3.33Å; E96-K98 IonicContact OE2-NZ 3.52Å; K98-S100 PolarHBondContact O-N 3.1Å | ||
| 99 | L | 29.3 | Very low | 41 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | trans | -63 | 75.2 | 159.3 | -88.5 | 168.8 | 0 | 0 | 0 | 109.4 | E97 | E97-L99 PolarHBondContact O-N 2.89Š| ||
| 100 | S | 32.3 | Very low | 43.8 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | trans | 49.6 | 77.8 | 154 | -68.8 | 0 | 0 | 0 | 0 | 115.6 | K98 R102 | K98-S100 PolarHBondContact O-N 3.1Å; S100-R102 PolarHBondContact O-N 2.86Å | ||
| 101 | Q | 34.7 | Very low | 47.1 | Very low | 192 Ų | 192 | 122.9 Ų | 122.9 | 90% | 0.897 | 66% | 0.662 | S | S | * | * | trans | -66.1 | 57 | 141 | -71.9 | -174.9 | -13.4 | 0 | 0 | 109.7 | ||||
| 102 | R | 36.5 | Very low | 50 | Low | 199 Ų | 199 | 119.4 Ų | 119.4 | 75% | 0.751 | 64% | 0.643 | S | S | * | * | trans | -104.9 | 113.8 | -173.1 | -168.9 | 174.7 | -173.7 | 173.9 | 1.5 | 107.5 | S100 | S100-R102 PolarHBondContact O-N 2.86Š| ||
| 103 | N | 33.6 | Very low | 53.3 | Low | 135 Ų | 135 | 113.2 Ų | 113.2 | 72% | 0.722 | 61% | 0.605 | S | S | * | * | trans | 63.8 | 55.4 | -176.3 | -49.7 | -12 | 0 | 0 | 0 | 113.4 | N105 | N103-N105 PolarHBondContact O-N 2.84Š| ||
| 104 | A | 37.6 | Very low | 56.4 | Low | 87 Ų | 87 | 113.2 Ų | 113.2 | 72% | 0.719 | 59% | 0.589 | S | S | * | * | trans | -68.1 | 73.1 | 162 | 0 | 0 | 0 | 0 | 0 | 110.6 | P106 | A104-P106 VanDerWaalsContact O-CD 3.31Å; A104-P106 WeakPolarHBondContact O-CD 3.18Å | ||
| 105 | N | 44.1 | Very low | 59.5 | Low | 94 Ų | 94 | 104.4 Ų | 104.4 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | trans | -54.7 | 119.7 | 164.9 | -82.7 | -12.3 | 0 | 0 | 0 | 107.8 | N103 G107 I108 | N103-N105 PolarHBondContact O-N 2.84Å; N105-G107 PolarHBondContact O-N 2.86Å; N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.8Å; N105-I108 PolarHBondContact O-N 2.91Å | ||
| 106 | P | 56.9 | Low | 62.3 | Low | 145 Ų | 145 | 96.4 Ų | 96.4 | 94% | 0.942 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -4.3 | -171.6 | -27.3 | 36.3 | 0 | 0 | 0 | 116.4 | A104 | A104-P106 VanDerWaalsContact O-CD 3.31Å; A104-P106 WeakPolarHBondContact O-CD 3.18Å |
| 107 | G | 67.1 | Low | 65.2 | Low | 62 Ų | 62 | 89.6 Ų | 89.6 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -12.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | N105 | N105-G107 PolarHBondContact O-N 2.86Š|
| 108 | I | 84.8 | Confident | 68 | Low | 55 Ų | 55 | 84.1 Ų | 84.1 | 28% | 0.282 | 45% | 0.453 | S | S | . | . | trans | -83.7 | 125.5 | -178.7 | -54.4 | 175.9 | 0 | 0 | 0 | 109.7 | N105 E168 | N105-I108 HydrophobicContact CB-CD1 3.7Å; N105-I108 HydrophobicContact CB-CG1 3.8Å; N105-I108 PolarHBondContact O-N 2.91Å; I108-E168 HydrophobicContact CD1-CG 4.45Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.4Å; I108-E168 HydrophobicContact CG1-CB 4.33Å; I108-E168 HydrophobicContact CG1-CG 3.9Å; I108-E168 WeakPolarHBondContact CG1-OE1 2.84Å; I108-E168 HydrophobicContact CG2-CB 4.49Å | ||
| 109 | K | 92.3 | Very high | 71.1 | Confident | 60 Ų | 60 | 78 Ų | 78 | 26% | 0.261 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 115.3 | 169.6 | -64.3 | -178.2 | 174.3 | -177.1 | 0 | 109.8 | F111 Q166 L167 S235 E238 | K109-F111 HydrophobicContact CB-CE2 3.86Å; K109-F111 HydrophobicContact CB-CZ 4.07Å; K109-Q166 CarbonylContact O-C 3.58Å; K109-Q166 WeakPolarHBondContact O-CA 3.1Å; K109-L167 HydrophobicContact CB-CB 4.37Å; K109-L167 PolarHBondContact N-O 3.43Å; K109-L167 VanDerWaalsContact N-O 3.14Å; K109-L167 PolarHBondContact O-N 2.86Å; K109-S235 VanDerWaalsContact CD-OG 3.3Å; K109-S235 WeakPolarHBondContact CD-OG 3.3Å; K109-S235 PolarHBondContact NZ-OG 2.94Å; K109-S235 VanDerWaalsContact NZ-OG 3.09Å; K109-E238 VanDerWaalsContact NZ-CD 3.27Å; K109-E238 IonicContact NZ-OE1 3.29Å; K109-E238 PolarHBondContact NZ-OE1 3.2Å; K109-E238 IonicContact NZ-OE2 3.04Å; K109-E238 PolarHBondContact NZ-OE2 3.24Å |
| 110 | C | 94.5 | Very high | 74.2 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 45% | 0.446 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 138.1 | -177.6 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | Q166 | C110-Q166 HydrophobicContact CB-CG 4.07Å |
| 111 | F | 96.3 | Very high | 77 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 128.3 | -178.8 | -53.7 | -86.1 | 0 | 0 | 0 | 110.2 | K109 V113 L165 L167 N231 I232 | K109-F111 HydrophobicContact CB-CE2 3.86Å; K109-F111 HydrophobicContact CB-CZ 4.07Å; F111-V113 HydrophobicContact CB-CG1 4.28Å; F111-L165 HydrophobicContact CD2-CD2 4.08Å; F111-L165 PolarHBondContact N-O 3.06Å; F111-L165 PolarHBondContact O-N 3.3Å; F111-L167 HydrophobicContact CE2-CD1 3.97Å; F111-L167 HydrophobicContact CE2-CG 4.26Å; F111-N231 HydrophobicContact CE1-CB 4.01Å; F111-I232 HydrophobicContact CB-CD1 3.9Å; F111-I232 HydrophobicContact CB-CG1 4.18Å; F111-I232 HydrophobicContact CD1-CD1 4.41Å; F111-I232 HydrophobicContact CD1-CG1 3.77Å; F111-I232 HydrophobicContact CD2-CD1 4.29Å; F111-I232 HydrophobicContact CD2-CG1 3.89Å; F111-I232 HydrophobicContact CE1-CG1 4.07Å; F111-I232 HydrophobicContact CE2-CG1 4.18Å; F111-I232 HydrophobicContact CG-CD1 3.96Å; F111-I232 HydrophobicContact CG-CG1 3.67Å; F111-I232 HydrophobicContact CZ-CG1 4.26Å |
| 112 | A | 96.1 | Very high | 79.8 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E226 | A112-E226 HydrophobicContact CB-CB 4.27Å; A112-E226 HydrophobicContact CB-CG 3.96Å; A112-E226 VanDerWaalsContact CB-OE2 3.24Å; A112-E226 WeakPolarHBondContact CB-OE2 3.43Å; A112-E226 PolarHBondContact O-N 2.85Å; A112-E226 VanDerWaalsContact O-N 3.12Å |
| 113 | V | 96.2 | Very high | 82.3 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 149.9 | -176.7 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | F111 L163 L165 F223 R224 C225 I232 | F111-V113 HydrophobicContact CB-CG1 4.28Å; V113-L163 HydrophobicContact CG2-CB 4.1Å; V113-L163 PolarHBondContact N-O 2.98Å; V113-L163 PolarHBondContact O-N 3.14Å; V113-L163 VanDerWaalsContact O-O 3.06Å; V113-L165 HydrophobicContact CG1-CB 4.15Å; V113-L165 HydrophobicContact CG2-CB 3.87Å; V113-F223 HydrophobicContact CB-CB 4.09Å; V113-F223 HydrophobicContact CG2-CB 4.2Å; V113-F223 HydrophobicContact CG2-CD1 3.88Å; V113-F223 HydrophobicContact CG2-CG 4.34Å; V113-R224 CarbonylContact C-O 3.57Å; V113-R224 VanDerWaalsContact CA-O 3.28Å; V113-R224 WeakPolarHBondContact CA-O 3.32Å; V113-C225 HydrophobicContact CG1-CB 4.21Å; V113-I232 HydrophobicContact CG1-CD1 3.98Å |
| 114 | R | 94.4 | Very high | 84.9 | Confident | 119 Ų | 119 | 59.8 Ų | 59.8 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.8 | 169 | -176.1 | 167.5 | -67.9 | 166 | 0 | 110 | L116 K161 D162 F223 R224 | R114-L116 PolarHBondContact O-N 3.23Å; R114-K161 CarbonylContact C-O 3.56Å; R114-K161 WeakPolarHBondContact CA-O 3.39Å; R114-D162 WeakPolarHBondContact CB-OD1 3.24Å; R114-D162 IonicContact CZ-OD1 3.51Å; R114-D162 VanDerWaalsContact CZ-OD1 3.24Å; R114-D162 IonicContact CZ-OD2 2.8Å; R114-D162 IonicContact NE-OD1 2.79Å; R114-D162 PolarHBondContact NE-OD1 3.42Å; R114-D162 IonicContact NE-OD2 3.52Å; R114-D162 VanDerWaalsContact NH2-CG 3.27Å; R114-D162 IonicContact NH2-OD1 3.35Å; R114-D162 PolarHBondContact NH2-OD1 2.84Å; R114-D162 IonicContact NH2-OD2 2.68Å; R114-D162 PolarHBondContact NH2-OD2 2.82Å; R114-F223 CarbonylContact O-C 3.58Å; R114-F223 VanDerWaalsContact O-CA 3.31Å; R114-F223 WeakPolarHBondContact O-CA 3.44Å; R114-R224 PolarHBondContact N-O 2.91Å; R114-R224 PolarHBondContact O-N 3.16Å |
| 115 | S | 94.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 129.4 | 173.3 | -175 | 0 | 0 | 0 | 0 | 110.4 | G117 W157 G158 G160 K161 | S115-G117 PolarHBondContact OG-N 3.11Å; S115-W157 VanDerWaalsContact CB-O 3.31Å; S115-W157 WeakPolarHBondContact CB-O 2.94Å; S115-W157 PolarHBondContact OG-O 3.14Å; S115-G158 VanDerWaalsContact CB-O 3.25Å; S115-G158 WeakPolarHBondContact CB-O 3.22Å; S115-G158 PolarHBondContact OG-O 3.5Å; S115-G160 PolarHBondContact O-N 2.76Å; S115-K161 PolarHBondContact N-O 2.8Å |
| 116 | L | 92.4 | Very high | 89.4 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 13.2 | 170.8 | -54.4 | -171.6 | 0 | 0 | 0 | 111.6 | R114 L142 V222 R224 | R114-L116 PolarHBondContact O-N 3.23Å; L116-L142 HydrophobicContact CB-CB 4.1Å; L116-V222 HydrophobicContact CB-CB 4.3Å; L116-V222 HydrophobicContact CB-CG1 4.28Å; L116-V222 HydrophobicContact CD1-CG1 3.99Å; L116-V222 HydrophobicContact CG-CG1 4.46Å; L116-V222 PolarHBondContact N-O 3.43Å; L116-R224 HydrophobicContact CD1-CB 4.23Å; L116-R224 HydrophobicContact CD2-CB 4.06Å; L116-R224 HydrophobicContact CG-CB 4.23Å |
| 117 | G | 92.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.7 | -153 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S115 V222 | S115-G117 PolarHBondContact OG-N 3.11Å; G117-V222 PolarHBondContact O-N 2.85Å; G117-V222 VanDerWaalsContact O-N 3.16Å |
| 118 | W | 93.5 | Very high | 91.5 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.7 | -173.9 | 61.9 | -86.2 | 0 | 0 | 0 | 113 | E120 D151 M217 K219 C220 H221 | W118-E120 HydrophobicContact CZ3-CB 4.31Å; W118-D151 PolarHBondContact NE1-OD2 2.97Å; W118-M217 HydrophobicContact CH2-CE 4.39Å; W118-M217 HydrophobicContact CZ3-CE 4.42Å; W118-K219 HydrophobicContact CD2-CD 4Å; W118-K219 HydrophobicContact CD2-CG 4.31Å; W118-K219 HydrophobicContact CE3-CB 4.16Å; W118-K219 HydrophobicContact CE3-CD 3.77Å; W118-K219 HydrophobicContact CE3-CG 3.65Å; W118-K219 HydrophobicContact CH2-CD 4.43Å; W118-K219 HydrophobicContact CZ3-CD 4.01Å; W118-K219 HydrophobicContact CZ3-CG 3.92Å; W118-C220 CarbonylContact C-O 3.49Å; W118-C220 WeakPolarHBondContact CA-O 3.28Å; W118-H221 WeakPolarHBondContact CB-ND1 3.41Å |
| 119 | V | 93.4 | Very high | 91.4 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.6 | 172.9 | -165.3 | 0 | 0 | 0 | 0 | 109 | M121 C138 L142 K219 C220 | V119-M121 HydrophobicContact CB-SD 4.43Å; V119-C138 HydrophobicContact CG2-CB 4.16Å; V119-L142 HydrophobicContact CG2-CD1 3.66Å; V119-L142 HydrophobicContact CG2-CD2 4.17Å; V119-L142 HydrophobicContact CG2-CG 3.79Å; V119-K219 WeakPolarHBondContact O-CA 3.25Å; V119-C220 PolarHBondContact N-O 3.22Å; V119-C220 PolarHBondContact O-N 2.8Å |
| 120 | E | 94.1 | Very high | 91.2 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 140 | 168.7 | 179.6 | 166.3 | -152.9 | 0 | 0 | 110.6 | W118 M217 L218 | W118-E120 HydrophobicContact CZ3-CB 4.31Å; E120-M217 HydrophobicContact CB-CE 4.4Å; E120-M217 HydrophobicContact CG-CE 4.12Å; E120-M217 WeakPolarHBondContact OE1-CE 3.34Å; E120-M217 WeakPolarHBondContact OE2-CE 3.46Å; E120-L218 WeakPolarHBondContact CA-O 3.12Å |
| 121 | M | 92.1 | Very high | 91 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150 | 179.5 | -50.6 | -53.9 | -55.2 | 0 | 0 | 110.8 | V119 E125 L126 A134 C138 V209 L218 C220 | V119-M121 HydrophobicContact CB-SD 4.43Å; M121-E125 WeakPolarHBondContact CA-OE2 3.31Å; M121-E125 HydrophobicContact CE-CB 4.26Å; M121-E125 WeakPolarHBondContact CE-OE2 3.37Å; M121-L126 HydrophobicContact CB-CD2 4.41Å; M121-A134 HydrophobicContact CE-CB 3.87Å; M121-C138 PolarHBondContact SD-SG 3.08Å; M121-V209 HydrophobicContact CG-CG1 4.14Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.97Å; M121-L218 WeakPolarHBondContact O-CB 3.19Å; M121-C220 HydrophobicContact CG-CB 3.66Å; M121-C220 HydrophobicContact SD-CB 3.54Å; M121-C220 VanDerWaalsContact SD-CB 3.54Å |
| 122 | T | 92.4 | Very high | 90.7 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | trans | -92.6 | 163 | 167.3 | 94.4 | 0 | 0 | 0 | 0 | 111.9 | E124 E125 L126 | T122-E124 VanDerWaalsContact C-N 3.26Å; T122-E124 WeakPolarHBondContact CB-OE2 3.33Å; T122-E124 PolarHBondContact O-N 3.17Å; T122-E124 PolarHBondContact OG1-N 3.41Å; T122-E124 PolarHBondContact OG1-OE2 3.34Å; T122-E125 PolarHBondContact N-OE2 3.48Å; T122-E125 PolarHBondContact O-N 3.31Å; T122-E125 PolarHBondContact OG1-N 3.38Å; T122-L126 PolarHBondContact O-N 3.24Å | ||
| 123 | E | 88.8 | Confident | 90.4 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -29.8 | 178.5 | -172.4 | 68.6 | -137.6 | 0 | 0 | 111.2 | L126 A127 R192 R211 L218 | E123-L126 PolarHBondContact O-N 2.89Å; E123-A127 PolarHBondContact O-N 2.83Å; E123-R192 VanDerWaalsContact CD-NH1 3.29Å; E123-R192 IonicContact OE1-CZ 4Å; E123-R192 VanDerWaalsContact OE1-CZ 3.24Å; E123-R192 IonicContact OE1-NH1 3.62Å; E123-R192 PolarHBondContact OE1-NH1 2.85Å; E123-R192 IonicContact OE1-NH2 2.97Å; E123-R192 PolarHBondContact OE1-NH2 2.93Å; E123-R192 IonicContact OE2-CZ 3.16Å; E123-R192 IonicContact OE2-NH1 2.76Å; E123-R192 PolarHBondContact OE2-NH1 2.91Å; E123-R192 IonicContact OE2-NH2 2.69Å; E123-R211 IonicContact OE2-NH2 2.71Å; E123-L218 HydrophobicContact CB-CD1 4.35Å |
| 124 | E | 88.2 | Confident | 90.3 | Very high | 118 Ų | 118 | 60.6 Ų | 60.6 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -26.4 | 178.4 | -57.4 | 69.1 | -148.9 | 0 | 0 | 113.2 | T122 A127 R130 | T122-E124 VanDerWaalsContact C-N 3.26Å; T122-E124 WeakPolarHBondContact CB-OE2 3.33Å; T122-E124 PolarHBondContact O-N 3.17Å; T122-E124 PolarHBondContact OG1-N 3.41Å; T122-E124 PolarHBondContact OG1-OE2 3.34Å; E124-A127 WeakPolarHBondContact O-CB 3.25Å; E124-R130 WeakPolarHBondContact O-CD 3.28Å |
| 125 | E | 87.1 | Confident | 90.3 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -32.7 | 173.2 | -65.7 | -178.5 | 116.5 | 0 | 0 | 111.7 | M121 T122 A127 R130 S131 A134 | M121-E125 WeakPolarHBondContact CA-OE2 3.31Å; M121-E125 HydrophobicContact CE-CB 4.26Å; M121-E125 WeakPolarHBondContact CE-OE2 3.37Å; T122-E125 PolarHBondContact N-OE2 3.48Å; T122-E125 PolarHBondContact O-N 3.31Å; T122-E125 PolarHBondContact OG1-N 3.38Å; E125-A127 PolarHBondContact O-N 3.33Å; E125-R130 CarbonylContact O-C 3.54Å; E125-R130 WeakPolarHBondContact O-CB 3.48Å; E125-S131 VanDerWaalsContact O-CA 3.24Å; E125-S131 WeakPolarHBondContact O-CA 3.3Å; E125-S131 PolarHBondContact O-N 2.76Å; E125-S131 VanDerWaalsContact O-N 3.13Å; E125-A134 HydrophobicContact CB-CB 4.09Å |
| 126 | L | 89.3 | Confident | 90.2 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -79.8 | 0.6 | 175.8 | -56.4 | -172.4 | 0 | 0 | 0 | 113.6 | M121 T122 E123 R192 V193 V209 L218 | M121-L126 HydrophobicContact CB-CD2 4.41Å; T122-L126 PolarHBondContact O-N 3.24Å; E123-L126 PolarHBondContact O-N 2.89Å; L126-R192 HydrophobicContact CD1-CB 4.19Å; L126-R192 HydrophobicContact CD1-CG 4.44Å; L126-V193 HydrophobicContact CD2-CG2 4.2Å; L126-V209 HydrophobicContact CD1-CG1 3.71Å; L126-V209 HydrophobicContact CD2-CB 4.37Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.11Å; L126-V209 HydrophobicContact CG-CG1 4.49Å; L126-L218 HydrophobicContact CD1-CB 4.42Å; L126-L218 HydrophobicContact CD1-CD1 3.76Å; L126-L218 HydrophobicContact CD1-CD2 3.92Å; L126-L218 HydrophobicContact CD1-CG 4.25Å |
| 127 | A | 85.2 | Confident | 90.2 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -58 | 147.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E123 E124 E125 G129 R130 S131 | E123-A127 PolarHBondContact O-N 2.83Å; E124-A127 WeakPolarHBondContact O-CB 3.25Å; E125-A127 PolarHBondContact O-N 3.33Å; A127-G129 PolarHBondContact O-N 3.15Å; A127-R130 PolarHBondContact O-N 2.78Å; A127-S131 PolarHBondContact O-N 3.09Å; A127-S131 VanDerWaalsContact O-N 3.1Å |
| 128 | P | 83.3 | Confident | 90.2 | Very high | 131 Ų | 131 | 58.5 Ų | 58.5 | 85% | 0.851 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 131.7 | 175.8 | -27.3 | 35.7 | 0 | 0 | 0 | 112.3 | R130 | P128-R130 VanDerWaalsContact C-N 3.27Å; P128-R130 PolarHBondContact O-N 3.16Å |
| 129 | G | 82.9 | Confident | 90.2 | Very high | 71 Ų | 71 | 55 Ų | 55 | 73% | 0.732 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -18.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A127 | A127-G129 PolarHBondContact O-N 3.15Š|
| 130 | R | 87.1 | Confident | 90.1 | Very high | 158 Ų | 158 | 58.3 Ų | 58.3 | 60% | 0.596 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -37.7 | 174.2 | -66.2 | -177.6 | 175.5 | 179.8 | -3 | 113.1 | E124 E125 A127 P128 S132 V133 A134 | E124-R130 WeakPolarHBondContact O-CD 3.28Å; E125-R130 CarbonylContact O-C 3.54Å; E125-R130 WeakPolarHBondContact O-CB 3.48Å; A127-R130 PolarHBondContact O-N 2.78Å; P128-R130 VanDerWaalsContact C-N 3.27Å; P128-R130 PolarHBondContact O-N 3.16Å; R130-S132 VanDerWaalsContact C-N 3.27Å; R130-S132 PolarHBondContact O-N 2.96Å; R130-S132 VanDerWaalsContact O-N 3.1Å; R130-V133 WeakPolarHBondContact O-CB 3.44Å; R130-V133 PolarHBondContact O-N 3.47Å; R130-A134 PolarHBondContact O-N 2.99Å |
| 131 | S | 90.8 | Very high | 89.9 | Confident | 24 Ų | 24 | 58 Ų | 58 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54 | -35.2 | -172.2 | 58.9 | 0 | 0 | 0 | 0 | 115.5 | E125 A127 V135 | E125-S131 VanDerWaalsContact O-CA 3.24Å; E125-S131 WeakPolarHBondContact O-CA 3.3Å; E125-S131 PolarHBondContact O-N 2.76Å; E125-S131 VanDerWaalsContact O-N 3.13Å; A127-S131 PolarHBondContact O-N 3.09Å; A127-S131 VanDerWaalsContact O-N 3.1Å; S131-V135 WeakPolarHBondContact O-CB 3.45Å; S131-V135 WeakPolarHBondContact O-CG2 3.44Å; S131-V135 PolarHBondContact O-N 2.78Å |
| 132 | S | 89.9 | Confident | 89.7 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.5 | -27.6 | 178 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | R130 N136 | R130-S132 VanDerWaalsContact C-N 3.27Å; R130-S132 PolarHBondContact O-N 2.96Å; R130-S132 VanDerWaalsContact O-N 3.1Å; S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 3.37Å |
| 133 | V | 91.3 | Very high | 89.3 | Confident | 84 Ų | 84 | 56 Ų | 56 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -77.4 | -46.7 | 173 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | R130 N136 N137 | R130-V133 WeakPolarHBondContact O-CB 3.44Å; R130-V133 PolarHBondContact O-N 3.47Å; V133-N136 PolarHBondContact O-N 3.27Å; V133-N137 WeakPolarHBondContact O-CB 3.46Å; V133-N137 VanDerWaalsContact O-CG 3.31Å; V133-N137 PolarHBondContact O-N 3.12Å |
| 134 | A | 93.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.6 | -55.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M121 E125 R130 N136 N137 C138 | M121-A134 HydrophobicContact CE-CB 3.87Å; E125-A134 HydrophobicContact CB-CB 4.09Å; R130-A134 PolarHBondContact O-N 2.99Å; A134-N136 VanDerWaalsContact C-N 3.34Å; A134-N136 PolarHBondContact O-N 2.62Å; A134-N137 WeakPolarHBondContact O-CA 3.35Å; A134-N137 WeakPolarHBondContact O-CB 3.5Å; A134-N137 PolarHBondContact O-N 2.81Å; A134-C138 PolarHBondContact O-N 3.29Å; A134-C138 PolarHBondContact O-SG 3.24Å |
| 135 | V | 94.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 179.3 | 172 | 0 | 0 | 0 | 0 | 112.3 | S131 N137 C138 I139 V193 A207 V209 | S131-V135 WeakPolarHBondContact O-CB 3.45Å; S131-V135 WeakPolarHBondContact O-CG2 3.44Å; S131-V135 PolarHBondContact O-N 2.78Å; V135-N137 VanDerWaalsContact C-N 3.32Å; V135-N137 PolarHBondContact O-N 3.4Å; V135-C138 PolarHBondContact O-N 3.41Å; V135-I139 HydrophobicContact CG1-CD1 4.37Å; V135-I139 WeakPolarHBondContact O-CG1 3.31Å; V135-I139 PolarHBondContact O-N 3.02Å; V135-I139 VanDerWaalsContact O-N 3.12Å; V135-V193 HydrophobicContact CG2-CB 4.42Å; V135-V193 HydrophobicContact CG2-CG1 3.94Å; V135-A207 HydrophobicContact CG1-CB 3.75Å; V135-V209 HydrophobicContact CG2-CG2 3.67Å |
| 136 | N | 92.4 | Very high | 86.4 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 176.3 | -167.9 | 65 | 0 | 0 | 0 | 111.4 | S132 V133 A134 I139 R140 R198 | S132-N136 WeakPolarHBondContact O-CB 3.39Å; S132-N136 PolarHBondContact O-N 3.37Å; V133-N136 PolarHBondContact O-N 3.27Å; A134-N136 VanDerWaalsContact C-N 3.34Å; A134-N136 PolarHBondContact O-N 2.62Å; N136-I139 WeakPolarHBondContact O-CB 3.17Å; N136-I139 PolarHBondContact O-N 3.49Å; N136-R140 VanDerWaalsContact ND2-CZ 3.3Å; N136-R140 PolarHBondContact ND2-NH2 2.83Å; N136-R140 VanDerWaalsContact O-CG 3.29Å; N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.09Å; N136-R198 PolarHBondContact OD1-N 2.72Å |
| 137 | N | 92.6 | Very high | 84.8 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 174.4 | -73.5 | -12.1 | 0 | 0 | 0 | 112.7 | V133 A134 V135 I139 R140 Q141 | V133-N137 WeakPolarHBondContact O-CB 3.46Å; V133-N137 VanDerWaalsContact O-CG 3.31Å; V133-N137 PolarHBondContact O-N 3.12Å; A134-N137 WeakPolarHBondContact O-CA 3.35Å; A134-N137 WeakPolarHBondContact O-CB 3.5Å; A134-N137 PolarHBondContact O-N 2.81Å; V135-N137 VanDerWaalsContact C-N 3.32Å; V135-N137 PolarHBondContact O-N 3.4Å; N137-I139 VanDerWaalsContact C-N 3.28Å; N137-I139 PolarHBondContact O-N 3.31Å; N137-R140 WeakPolarHBondContact O-CB 3.27Å; N137-R140 PolarHBondContact O-N 3.47Å; N137-R140 VanDerWaalsContact O-N 3.08Å; N137-R140 PolarHBondContact OD1-NH1 3.14Å; N137-Q141 WeakPolarHBondContact O-CB 3.09Å; N137-Q141 PolarHBondContact O-N 2.83Å |
| 138 | C | 93.2 | Very high | 83.1 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 170.9 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | V119 M121 A134 V135 R140 Q141 L142 C220 V222 | V119-C138 HydrophobicContact CG2-CB 4.16Å; M121-C138 PolarHBondContact SD-SG 3.08Å; A134-C138 PolarHBondContact O-N 3.29Å; A134-C138 PolarHBondContact O-SG 3.24Å; V135-C138 PolarHBondContact O-N 3.41Å; C138-R140 VanDerWaalsContact C-N 3.34Å; C138-R140 PolarHBondContact O-N 2.68Å; C138-Q141 PolarHBondContact O-N 3.32Å; C138-L142 PolarHBondContact O-N 3.08Å; C138-C220 HydrophobicContact CB-CB 4.23Å; C138-C220 VanDerWaalsContact CB-SG 3.53Å; C138-C220 VanDerWaalsContact SG-SG 3.62Å; C138-V222 HydrophobicContact CB-CG2 4.28Å |
| 139 | I | 92.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 174.1 | -67.3 | 169.8 | 0 | 0 | 0 | 110.8 | V135 N136 N137 S143 D205 A207 V222 | V135-I139 HydrophobicContact CG1-CD1 4.37Å; V135-I139 WeakPolarHBondContact O-CG1 3.31Å; V135-I139 PolarHBondContact O-N 3.02Å; V135-I139 VanDerWaalsContact O-N 3.12Å; N136-I139 WeakPolarHBondContact O-CB 3.17Å; N136-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact C-N 3.28Å; N137-I139 PolarHBondContact O-N 3.31Å; I139-S143 WeakPolarHBondContact O-CB 3.35Å; I139-S143 PolarHBondContact O-N 2.81Å; I139-S143 PolarHBondContact O-OG 2.86Å; I139-D205 HydrophobicContact CG2-CB 3.6Å; I139-A207 HydrophobicContact CD1-CB 3.81Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; I139-V222 HydrophobicContact CG1-CG1 4Å; I139-V222 HydrophobicContact CG1-CG2 4.32Å |
| 140 | R | 90.9 | Very high | 80.1 | Confident | 96 Ų | 96 | 79 Ų | 79 | 36% | 0.362 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.4 | -50.5 | 174.1 | -57.6 | -160.3 | 168.4 | 120.2 | -7.6 | 111.4 | N136 N137 C138 S143 Y144 D199 | N136-R140 VanDerWaalsContact ND2-CZ 3.3Å; N136-R140 PolarHBondContact ND2-NH2 2.83Å; N136-R140 VanDerWaalsContact O-CG 3.29Å; N136-R140 WeakPolarHBondContact O-CG 3.44Å; N136-R140 PolarHBondContact O-N 3.09Å; N137-R140 WeakPolarHBondContact O-CB 3.27Å; N137-R140 PolarHBondContact O-N 3.47Å; N137-R140 VanDerWaalsContact O-N 3.08Å; N137-R140 PolarHBondContact OD1-NH1 3.14Å; C138-R140 VanDerWaalsContact C-N 3.34Å; C138-R140 PolarHBondContact O-N 2.68Å; R140-S143 PolarHBondContact O-N 3.12Å; R140-Y144 VanDerWaalsContact O-CD2 3.26Å; R140-Y144 WeakPolarHBondContact O-CD2 3.32Å; R140-Y144 PolarHBondContact O-N 3.33Å; R140-D199 IonicContact CZ-OD1 3.97Å; R140-D199 IonicContact CZ-OD2 3.75Å; R140-D199 IonicContact NE-OD1 2.8Å; R140-D199 IonicContact NE-OD2 3.86Å; R140-D199 PolarHBondContact NE-OD2 2.88Å; R140-D199 IonicContact NH2-OD1 3.73Å; R140-D199 PolarHBondContact NH2-OD1 3.38Å; R140-D199 IonicContact NH2-OD2 3.24Å; R140-D199 PolarHBondContact NH2-OD2 2.96Å |
| 141 | Q | 90.6 | Very high | 78.8 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59 | -58.1 | -175.3 | -175.9 | 176.9 | 0.6 | 0 | 0 | 111.7 | N137 C138 S143 Y144 H145 | N137-Q141 WeakPolarHBondContact O-CB 3.09Å; N137-Q141 PolarHBondContact O-N 2.83Å; C138-Q141 PolarHBondContact O-N 3.32Å; Q141-S143 PolarHBondContact O-N 2.82Å; Q141-Y144 PolarHBondContact O-N 2.8Å; Q141-H145 PolarHBondContact O-N 2.84Å |
| 142 | L | 88.8 | Confident | 77.1 | Confident | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.2 | -4.8 | -177.7 | -63.1 | 179.6 | 0 | 0 | 0 | 114.1 | L116 V119 C138 V222 | L116-L142 HydrophobicContact CB-CB 4.1Å; V119-L142 HydrophobicContact CG2-CD1 3.66Å; V119-L142 HydrophobicContact CG2-CD2 4.17Å; V119-L142 HydrophobicContact CG2-CG 3.79Å; C138-L142 PolarHBondContact O-N 3.08Å; L142-V222 HydrophobicContact CB-CB 4.47Å; L142-V222 HydrophobicContact CD1-CB 3.93Å; L142-V222 HydrophobicContact CD1-CG2 3.75Å |
| 143 | S | 83.9 | Confident | 75.6 | Confident | 21 Ų | 21 | 82.2 Ų | 82.2 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -86.4 | -25.5 | 172.3 | -69.2 | 0 | 0 | 0 | 0 | 114.2 | I139 R140 Q141 R202 D205 R224 | I139-S143 WeakPolarHBondContact O-CB 3.35Å; I139-S143 PolarHBondContact O-N 2.81Å; I139-S143 PolarHBondContact O-OG 2.86Å; R140-S143 PolarHBondContact O-N 3.12Å; Q141-S143 PolarHBondContact O-N 2.82Å; S143-R202 VanDerWaalsContact CB-CD 3.46Å; S143-R202 VanDerWaalsContact OG-CD 3.26Å; S143-R202 WeakPolarHBondContact OG-CD 3.46Å; S143-D205 PolarHBondContact OG-OD2 3.16Å; S143-R224 PolarHBondContact OG-NH2 2.9Å |
| 144 | Y | 74.4 | Confident | 74.2 | Confident | 176 Ų | 176 | 78.8 Ų | 78.8 | 69% | 0.69 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -108.8 | -29.4 | 179.9 | -64.3 | -64.5 | 0 | 0 | 0 | 113.1 | R140 Q141 R202 | R140-Y144 VanDerWaalsContact O-CD2 3.26Å; R140-Y144 WeakPolarHBondContact O-CD2 3.32Å; R140-Y144 PolarHBondContact O-N 3.33Å; Q141-Y144 PolarHBondContact O-N 2.8Å; Y144-R202 PolarHBondContact OH-NH2 3.19Å |
| 145 | H | 68.6 | Low | 72.6 | Confident | 112 Ų | 112 | 80.8 Ų | 80.8 | 52% | 0.519 | 41% | 0.412 | S | S | . | . | trans | -74.4 | 128.6 | 167.2 | -89.9 | 38.5 | 0 | 0 | 0 | 110.4 | Q141 | Q141-H145 PolarHBondContact O-N 2.84Š| ||
| 146 | K | 59.3 | Low | 71.3 | Confident | 157 Ų | 157 | 82.5 Ų | 82.5 | 68% | 0.683 | 43% | 0.43 | S | S | * | . | trans | -110.7 | 96.5 | 158.6 | -179.9 | -176.7 | 176.1 | -177.8 | 0 | 106.6 | N148 E159 | K146-N148 PolarHBondContact O-N 2.79Å; K146-E159 VanDerWaalsContact CA-OE1 3.27Å; K146-E159 WeakPolarHBondContact CA-OE1 3.4Å | ||
| 147 | N | 55.2 | Low | 70.5 | Confident | 86 Ų | 86 | 83 Ų | 83 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | trans | -85.1 | 106.7 | -175.7 | -99.2 | -11 | 0 | 0 | 0 | 109.4 | L149 E159 | N147-L149 PolarHBondContact O-N 2.84Å; N147-E159 WeakPolarHBondContact CB-OE2 3.11Å; N147-E159 PolarHBondContact N-OE1 3.01Å; N147-E159 PolarHBondContact N-OE2 3.37Å | ||
| 148 | N | 49.1 | Very low | 69.6 | Low | 141 Ų | 141 | 80.2 Ų | 80.2 | 75% | 0.754 | 42% | 0.42 | S | S | * | . | trans | -71.1 | 12.1 | 176.4 | -54.6 | -66.3 | 0 | 0 | 0 | 113.6 | K146 | K146-N148 PolarHBondContact O-N 2.79Š| ||
| 149 | L | 50.3 | Low | 69 | Low | 152 Ų | 152 | 83.4 Ų | 83.4 | 80% | 0.796 | 43% | 0.434 | S | S | * | . | trans | -88.8 | 108.1 | 170.2 | -93 | 70.6 | 0 | 0 | 0 | 109.1 | N147 D151 | N147-L149 PolarHBondContact O-N 2.84Å; L149-D151 PolarHBondContact O-N 3.36Å; L149-D151 VanDerWaalsContact O-N 3.1Å | ||
| 150 | H | 53.4 | Low | 68.4 | Low | 174 Ų | 174 | 85.6 Ų | 85.6 | 81% | 0.806 | 46% | 0.457 | S | S | * | . | trans | -68.3 | 106.1 | 174.4 | -165.3 | -40.2 | 0 | 0 | 0 | 110 | P152 | H150-P152 VanDerWaalsContact O-CD 3.22Å; H150-P152 WeakPolarHBondContact O-CD 3.25Å | ||
| 151 | D | 60 | Low | 68.2 | Low | 47 Ų | 47 | 84.9 Ų | 84.9 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | trans | -59.6 | 117.4 | 174.4 | 176.4 | 8.7 | 0 | 0 | 0 | 110.1 | W118 L149 M153 A154 | W118-D151 PolarHBondContact NE1-OD2 2.97Å; L149-D151 PolarHBondContact O-N 3.36Å; L149-D151 VanDerWaalsContact O-N 3.1Å; D151-M153 VanDerWaalsContact C-N 3.25Å; D151-M153 PolarHBondContact O-N 3.38Å; D151-M153 WeakPolarHBondContact OD1-CA 3.38Å; D151-M153 WeakPolarHBondContact OD1-CB 3.38Å; D151-M153 PolarHBondContact OD1-N 2.69Å; D151-A154 HydrophobicContact CB-CB 3.9Å; D151-A154 WeakPolarHBondContact OD2-CB 3.28Å; D151-A154 PolarHBondContact OD2-N 2.9Å | ||
| 152 | P | 55.5 | Low | 68.2 | Low | 125 Ų | 125 | 83.6 Ų | 83.6 | 81% | 0.812 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21.7 | 177.6 | -17.6 | 32.7 | 0 | 0 | 0 | 113.2 | H150 | H150-P152 VanDerWaalsContact O-CD 3.22Å; H150-P152 WeakPolarHBondContact O-CD 3.25Å |
| 153 | M | 58.1 | Low | 68.5 | Low | 133 Ų | 133 | 83 Ų | 83 | 66% | 0.655 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6.1 | -176.1 | -65.2 | -63.1 | -64.4 | 0 | 0 | 113.3 | D151 G155 | D151-M153 VanDerWaalsContact C-N 3.25Å; D151-M153 PolarHBondContact O-N 3.38Å; D151-M153 WeakPolarHBondContact OD1-CA 3.38Å; D151-M153 WeakPolarHBondContact OD1-CB 3.38Å; D151-M153 PolarHBondContact OD1-N 2.69Å; M153-G155 PolarHBondContact O-N 2.78Å |
| 154 | A | 61.8 | Low | 69.1 | Low | 11 Ų | 11 | 83.5 Ų | 83.5 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -71.4 | 13.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D151 G156 W157 | D151-A154 HydrophobicContact CB-CB 3.9Å; D151-A154 WeakPolarHBondContact OD2-CB 3.28Å; D151-A154 PolarHBondContact OD2-N 2.9Å; A154-G156 PolarHBondContact O-N 2.89Å; A154-W157 VanDerWaalsContact O-CD1 3.3Å; A154-W157 PolarHBondContact O-N 3.16Å; A154-W157 PolarHBondContact O-NE1 2.85Å |
| 155 | G | 59.6 | Low | 70.2 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 19 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | M153 | M153-G155 PolarHBondContact O-N 2.78Š|
| 156 | G | 67 | Low | 71.5 | Confident | 40 Ų | 40 | 71.1 Ų | 71.1 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 14.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | A154 K161 | A154-G156 PolarHBondContact O-N 2.89Å; G156-K161 WeakPolarHBondContact O-CD 3.45Å; G156-K161 WeakPolarHBondContact O-CE 3.18Å; G156-K161 PolarHBondContact O-NZ 2.73Å |
| 157 | W | 76.1 | Confident | 73.3 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | trans | -132.3 | 21.3 | 178 | 56 | -87 | 0 | 0 | 0 | 114.2 | S115 A154 L163 L174 L183 H184 H221 F223 | S115-W157 VanDerWaalsContact CB-O 3.31Å; S115-W157 WeakPolarHBondContact CB-O 2.94Å; S115-W157 PolarHBondContact OG-O 3.14Å; A154-W157 VanDerWaalsContact O-CD1 3.3Å; A154-W157 PolarHBondContact O-N 3.16Å; A154-W157 PolarHBondContact O-NE1 2.85Å; W157-L163 HydrophobicContact CB-CD1 4.02Å; W157-L163 HydrophobicContact CB-CD2 4.17Å; W157-L174 HydrophobicContact CD2-CD1 3.88Å; W157-L174 HydrophobicContact CE3-CD1 3.44Å; W157-L174 VanDerWaalsContact CE3-CD1 3.44Å; W157-L174 HydrophobicContact CG-CD1 4.44Å; W157-L174 HydrophobicContact CH2-CD1 4.41Å; W157-L174 HydrophobicContact CZ3-CD1 3.73Å; W157-L183 HydrophobicContact CB-CB 4.27Å; W157-L183 HydrophobicContact CB-CD1 4.01Å; W157-L183 HydrophobicContact CG-CB 4.42Å; W157-H184 HydrophobicContact CD2-CB 4.35Å; W157-H184 AromaticContact CE2-CG 3.92Å; W157-H184 AromaticContact CE2-ND1 3.95Å; W157-H184 HydrophobicContact CZ2-CB 4.09Å; W157-H184 AromaticContact CZ2-CE1 3.85Å; W157-H184 AromaticContact CZ2-CG 3.64Å; W157-H184 AromaticContact CZ2-ND1 3.45Å; W157-H184 WeakPolarHBondContact CZ2-ND1 3.29Å; W157-H221 AromaticContact CH2-CE1 3.39Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.39Å; W157-H221 AromaticContact CH2-ND1 3.47Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.44Å; W157-H221 AromaticContact CH2-NE2 3.96Å; W157-H221 AromaticContact CZ3-CE1 3.88Å; W157-H221 AromaticContact CZ3-ND1 3.46Å; W157-H221 WeakPolarHBondContact CZ3-ND1 3.31Å; W157-F223 HydrophobicContact CZ3-CZ 4.3Å | ||
| 158 | G | 72.5 | Confident | 75.1 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | -67.9 | -171.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S115 K161 | S115-G158 VanDerWaalsContact CB-O 3.25Å; S115-G158 WeakPolarHBondContact CB-O 3.22Å; S115-G158 PolarHBondContact OG-O 3.5Å; G158-K161 PolarHBondContact O-N 2.97Å | ||
| 159 | E | 80.8 | Confident | 76.9 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 33% | 0.327 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 136.4 | -174.6 | -170.7 | -174 | 138.9 | 0 | 0 | 113.2 | K146 N147 K161 | K146-E159 VanDerWaalsContact CA-OE1 3.27Å; K146-E159 WeakPolarHBondContact CA-OE1 3.4Å; N147-E159 WeakPolarHBondContact CB-OE2 3.11Å; N147-E159 PolarHBondContact N-OE1 3.01Å; N147-E159 PolarHBondContact N-OE2 3.37Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 2.89Å |
| 160 | G | 80.8 | Confident | 78.9 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -13.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S115 | S115-G160 PolarHBondContact O-N 2.76Š|
| 161 | K | 86.1 | Confident | 80.9 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | trans | -76.3 | 135 | 179.3 | -82 | -168.2 | 152.3 | -139.2 | 0 | 113.4 | R114 S115 G156 G158 E159 E176 | R114-K161 CarbonylContact C-O 3.56Å; R114-K161 WeakPolarHBondContact CA-O 3.39Å; S115-K161 PolarHBondContact N-O 2.8Å; G156-K161 WeakPolarHBondContact O-CD 3.45Å; G156-K161 WeakPolarHBondContact O-CE 3.18Å; G156-K161 PolarHBondContact O-NZ 2.73Å; G158-K161 PolarHBondContact O-N 2.97Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 2.89Å; K161-E176 IonicContact NZ-OE1 2.74Å; K161-E176 PolarHBondContact NZ-OE1 3.49Å; K161-E176 VanDerWaalsContact NZ-OE1 3.11Å | ||
| 162 | D | 91.9 | Very high | 82.7 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135 | 168.4 | -67.1 | -42.6 | 0 | 0 | 0 | 111 | R114 P177 | R114-D162 WeakPolarHBondContact CB-OD1 3.24Å; R114-D162 IonicContact CZ-OD1 3.51Å; R114-D162 VanDerWaalsContact CZ-OD1 3.24Å; R114-D162 IonicContact CZ-OD2 2.8Å; R114-D162 IonicContact NE-OD1 2.79Å; R114-D162 PolarHBondContact NE-OD1 3.42Å; R114-D162 IonicContact NE-OD2 3.52Å; R114-D162 VanDerWaalsContact NH2-CG 3.27Å; R114-D162 IonicContact NH2-OD1 3.35Å; R114-D162 PolarHBondContact NH2-OD1 2.84Å; R114-D162 IonicContact NH2-OD2 2.68Å; R114-D162 PolarHBondContact NH2-OD2 2.82Å; D162-P177 WeakPolarHBondContact O-CD 3.29Å |
| 163 | L | 95.2 | Very high | 84.6 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.6 | -166.9 | -62.9 | 173.7 | 0 | 0 | 0 | 110.8 | V113 W157 L174 L183 F223 | V113-L163 HydrophobicContact CG2-CB 4.1Å; V113-L163 PolarHBondContact N-O 2.98Å; V113-L163 PolarHBondContact O-N 3.14Å; V113-L163 VanDerWaalsContact O-O 3.06Å; W157-L163 HydrophobicContact CB-CD1 4.02Å; W157-L163 HydrophobicContact CB-CD2 4.17Å; L163-L174 HydrophobicContact CD1-CD1 4.37Å; L163-L183 HydrophobicContact CD2-CD1 3.68Å; L163-F223 HydrophobicContact CD1-CE1 4.2Å |
| 164 | L | 95.8 | Very high | 86.4 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.7 | 162.8 | -60.7 | -179.9 | 0 | 0 | 0 | 108.8 | Q166 V175 P177 Q180 | L164-Q166 HydrophobicContact CB-CG 4.47Å; L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.27Å; L164-V175 PolarHBondContact O-N 3.06Å; L164-P177 HydrophobicContact CG-CB 4.24Å; L164-P177 HydrophobicContact CG-CG 4.2Å; L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å |
| 165 | L | 97.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 111.7 | 168.8 | -172 | 159.8 | 0 | 0 | 0 | 107.8 | F111 V113 L167 L172 L174 F206 I232 | F111-L165 HydrophobicContact CD2-CD2 4.08Å; F111-L165 PolarHBondContact N-O 3.06Å; F111-L165 PolarHBondContact O-N 3.3Å; V113-L165 HydrophobicContact CG1-CB 4.15Å; V113-L165 HydrophobicContact CG2-CB 3.87Å; L165-L167 HydrophobicContact CD2-CD2 3.82Å; L165-L167 HydrophobicContact CD2-CG 4.12Å; L165-L172 HydrophobicContact CD1-CD1 4.34Å; L165-L172 HydrophobicContact CD1-CD2 4.36Å; L165-L172 HydrophobicContact CD1-CG 4.49Å; L165-L172 HydrophobicContact CD2-CD1 4.39Å; L165-L172 HydrophobicContact CD2-CG 4.11Å; L165-L172 HydrophobicContact CG-CD2 4.1Å; L165-L172 HydrophobicContact CG-CG 4.17Å; L165-L174 HydrophobicContact CB-CD2 4.08Å; L165-L174 HydrophobicContact CD1-CD2 4.23Å; L165-L174 HydrophobicContact CG-CD2 4.01Å; L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.17Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; L165-I232 HydrophobicContact CD2-CG2 4Å |
| 166 | Q | 96.4 | Very high | 89.5 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.9 | -178.4 | -68 | 173 | -0.8 | 0 | 0 | 110 | K109 C110 L164 K173 | K109-Q166 CarbonylContact O-C 3.58Å; K109-Q166 WeakPolarHBondContact O-CA 3.1Å; C110-Q166 HydrophobicContact CB-CG 4.07Å; L164-Q166 HydrophobicContact CB-CG 4.47Å; Q166-K173 HydrophobicContact CB-CB 4.24Å; Q166-K173 PolarHBondContact N-O 2.84Å; Q166-K173 PolarHBondContact O-N 3.44Å |
| 167 | L | 95.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110.5 | 171.3 | -54.6 | 179.7 | 0 | 0 | 0 | 108.1 | K109 F111 L165 L172 I188 L236 I239 | K109-L167 HydrophobicContact CB-CB 4.37Å; K109-L167 PolarHBondContact N-O 3.43Å; K109-L167 VanDerWaalsContact N-O 3.14Å; K109-L167 PolarHBondContact O-N 2.86Å; F111-L167 HydrophobicContact CE2-CD1 3.97Å; F111-L167 HydrophobicContact CE2-CG 4.26Å; L165-L167 HydrophobicContact CD2-CD2 3.82Å; L165-L167 HydrophobicContact CD2-CG 4.12Å; L167-L172 HydrophobicContact CD2-CB 3.95Å; L167-L172 HydrophobicContact CD2-CD1 4.27Å; L167-L172 HydrophobicContact CD2-CG 3.89Å; L167-I188 HydrophobicContact CD2-CD1 4.37Å; L167-L236 HydrophobicContact CD1-CD2 4.07Å; L167-L236 HydrophobicContact CD1-CG 4Å; L167-L236 HydrophobicContact CD2-CD2 3.64Å; L167-L236 HydrophobicContact CD2-CG 4.25Å; L167-I239 HydrophobicContact CB-CD1 3.67Å; L167-I239 HydrophobicContact CD1-CD1 4.09Å; L167-I239 HydrophobicContact CG-CD1 4.45Å |
| 168 | E | 92.9 | Very high | 91.2 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 144.4 | -173.7 | -175.7 | -177.3 | -144.6 | 0 | 0 | 108.9 | I108 E170 T171 K173 | I108-E168 HydrophobicContact CD1-CG 4.45Å; I108-E168 WeakPolarHBondContact CD1-OE1 3.4Å; I108-E168 HydrophobicContact CG1-CB 4.33Å; I108-E168 HydrophobicContact CG1-CG 3.9Å; I108-E168 WeakPolarHBondContact CG1-OE1 2.84Å; I108-E168 HydrophobicContact CG2-CB 4.49Å; E168-E170 PolarHBondContact O-N 3.2Å; E168-T171 PolarHBondContact N-O 3.29Å; E168-T171 VanDerWaalsContact N-O 3.1Å; E168-T171 CarbonylContact O-C 3.56Å; E168-T171 WeakPolarHBondContact O-CA 3.18Å; E168-T171 WeakPolarHBondContact O-CB 3.4Å; E168-T171 PolarHBondContact O-N 3.41Å; E168-K173 HydrophobicContact CB-CD 4.43Å; E168-K173 IonicContact OE2-NZ 3.81Å; E168-K173 PolarHBondContact OE2-NZ 3.15Å |
| 169 | D | 88.5 | Confident | 92 | Very high | 119 Ų | 119 | 46.4 Ų | 46.4 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 52.1 | 176.1 | -48.5 | -39.8 | 0 | 0 | 0 | 114.8 | T171 K173 | D169-T171 PolarHBondContact O-N 2.93Å; D169-T171 PolarHBondContact O-OG1 2.84Å; D169-K173 IonicContact OD2-NZ 3.61Å; D169-K173 PolarHBondContact OD2-NZ 3.27Å; D169-K173 VanDerWaalsContact OD2-NZ 3.16Å |
| 170 | E | 92.1 | Very high | 92.4 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 20.4 | -175.7 | -55.6 | -169.6 | 179.4 | 0 | 0 | 114.3 | E168 I188 I243 | E168-E170 PolarHBondContact O-N 3.2Å; E170-I188 VanDerWaalsContact O-CB 3.24Å; E170-I188 WeakPolarHBondContact O-CB 3.44Å; E170-I188 WeakPolarHBondContact O-CG1 3.28Å; E170-I188 PolarHBondContact O-N 2.99Å; E170-I243 HydrophobicContact CB-CD1 4.01Å; E170-I243 HydrophobicContact CB-CG1 4.49Å; E170-I243 VanDerWaalsContact CD-CG1 3.48Å; E170-I243 HydrophobicContact CG-CD1 3.92Å; E170-I243 HydrophobicContact CG-CG1 3.85Å |
| 171 | T | 94.7 | Very high | 93 | Very high | 27 Ų | 27 | 49 Ų | 49 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.4 | -169.9 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | E168 D169 K173 A185 | E168-T171 PolarHBondContact N-O 3.29Å; E168-T171 VanDerWaalsContact N-O 3.1Å; E168-T171 CarbonylContact O-C 3.56Å; E168-T171 WeakPolarHBondContact O-CA 3.18Å; E168-T171 WeakPolarHBondContact O-CB 3.4Å; E168-T171 PolarHBondContact O-N 3.41Å; D169-T171 PolarHBondContact O-N 2.93Å; D169-T171 PolarHBondContact O-OG1 2.84Å; T171-K173 HydrophobicContact CG2-CG 3.94Å; T171-A185 HydrophobicContact CG2-CB 4.13Å |
| 172 | L | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 113.1 | 166.6 | -174.1 | 163.9 | 0 | 0 | 0 | 107.6 | L165 L167 L174 Q186 I188 I191 Y208 | L165-L172 HydrophobicContact CD1-CD1 4.34Å; L165-L172 HydrophobicContact CD1-CD2 4.36Å; L165-L172 HydrophobicContact CD1-CG 4.49Å; L165-L172 HydrophobicContact CD2-CD1 4.39Å; L165-L172 HydrophobicContact CD2-CG 4.11Å; L165-L172 HydrophobicContact CG-CD2 4.1Å; L165-L172 HydrophobicContact CG-CG 4.17Å; L167-L172 HydrophobicContact CD2-CB 3.95Å; L167-L172 HydrophobicContact CD2-CD1 4.27Å; L167-L172 HydrophobicContact CD2-CG 3.89Å; L172-L174 HydrophobicContact CD2-CD2 3.91Å; L172-L174 HydrophobicContact CD2-CG 4.18Å; L172-Q186 HydrophobicContact CB-CB 4.42Å; L172-Q186 PolarHBondContact N-O 3.03Å; L172-Q186 PolarHBondContact O-N 2.82Å; L172-I188 HydrophobicContact CB-CG1 4.36Å; L172-I191 HydrophobicContact CB-CD1 4.44Å; L172-I191 HydrophobicContact CD1-CD1 4.06Å; L172-Y208 HydrophobicContact CD1-CD1 3.89Å; L172-Y208 HydrophobicContact CD1-CE1 3.99Å; L172-Y208 HydrophobicContact CD1-CG 4.47Å; L172-Y208 HydrophobicContact CD2-CE1 4.04Å |
| 173 | K | 96.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 15% | 0.148 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.7 | 180 | -57.7 | 176.7 | -168.6 | 178 | 0 | 108.6 | Q166 E168 D169 T171 V175 L182 H184 | Q166-K173 HydrophobicContact CB-CB 4.24Å; Q166-K173 PolarHBondContact N-O 2.84Å; Q166-K173 PolarHBondContact O-N 3.44Å; E168-K173 HydrophobicContact CB-CD 4.43Å; E168-K173 IonicContact OE2-NZ 3.81Å; E168-K173 PolarHBondContact OE2-NZ 3.15Å; D169-K173 IonicContact OD2-NZ 3.61Å; D169-K173 PolarHBondContact OD2-NZ 3.27Å; D169-K173 VanDerWaalsContact OD2-NZ 3.16Å; T171-K173 HydrophobicContact CG2-CG 3.94Å; K173-V175 HydrophobicContact CB-CG2 4.41Å; K173-L182 HydrophobicContact CB-CD1 3.76Å; K173-L182 HydrophobicContact CD-CD1 4.48Å; K173-L182 HydrophobicContact CG-CD1 4.16Å; K173-H184 CarbonylContact C-O 3.45Å; K173-H184 WeakPolarHBondContact CA-O 3.24Å |
| 174 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.6 | 168.1 | -58 | 178.2 | 0 | 0 | 0 | 108.2 | W157 L163 L165 L172 L183 H184 F223 | W157-L174 HydrophobicContact CD2-CD1 3.88Å; W157-L174 HydrophobicContact CE3-CD1 3.44Å; W157-L174 VanDerWaalsContact CE3-CD1 3.44Å; W157-L174 HydrophobicContact CG-CD1 4.44Å; W157-L174 HydrophobicContact CH2-CD1 4.41Å; W157-L174 HydrophobicContact CZ3-CD1 3.73Å; L163-L174 HydrophobicContact CD1-CD1 4.37Å; L165-L174 HydrophobicContact CB-CD2 4.08Å; L165-L174 HydrophobicContact CD1-CD2 4.23Å; L165-L174 HydrophobicContact CG-CD2 4.01Å; L172-L174 HydrophobicContact CD2-CD2 3.91Å; L172-L174 HydrophobicContact CD2-CG 4.18Å; L174-L183 PolarHBondContact O-N 2.85Å; L174-H184 HydrophobicContact CB-CB 4.01Å; L174-H184 HydrophobicContact CD1-CB 4.01Å; L174-H184 HydrophobicContact CG-CB 4.17Å; L174-H184 PolarHBondContact N-O 3.45Å; L174-H184 PolarHBondContact O-N 3.07Å; L174-F223 HydrophobicContact CD1-CE1 3.89Å; L174-F223 HydrophobicContact CD1-CZ 3.86Å; L174-F223 HydrophobicContact CD2-CE1 4.06Å; L174-F223 HydrophobicContact CD2-CZ 4.27Å |
| 175 | V | 94.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.9 | -170.3 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | L164 K173 Q180 T181 L182 | L164-V175 HydrophobicContact CB-CB 4.25Å; L164-V175 PolarHBondContact N-O 3.27Å; L164-V175 PolarHBondContact O-N 3.06Å; K173-V175 HydrophobicContact CB-CG2 4.41Å; V175-Q180 HydrophobicContact CG1-CB 4.26Å; V175-T181 CarbonylContact C-O 3.59Å; V175-T181 WeakPolarHBondContact CA-O 3.41Å; V175-L182 HydrophobicContact CG2-CD1 4.05Å |
| 176 | E | 92.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 51.3 Ų | 51.3 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | trans | -74.5 | 123.8 | 177 | -169.4 | 159.2 | -105.9 | 0 | 0 | 110.5 | K161 Q178 N179 Q180 T181 L183 | K161-E176 IonicContact NZ-OE1 2.74Å; K161-E176 PolarHBondContact NZ-OE1 3.49Å; K161-E176 VanDerWaalsContact NZ-OE1 3.11Å; E176-Q178 PolarHBondContact O-N 3.29Å; E176-N179 PolarHBondContact OE2-ND2 2.96Å; E176-Q180 WeakPolarHBondContact O-CA 3.44Å; E176-Q180 PolarHBondContact O-N 3.3Å; E176-T181 PolarHBondContact N-O 3.47Å; E176-L183 HydrophobicContact CB-CD1 4.04Å; E176-L183 HydrophobicContact CB-CD2 4.42Å; E176-L183 HydrophobicContact CB-CG 4.25Å | ||
| 177 | P | 90.4 | Very high | 92.9 | Very high | 39 Ų | 39 | 52 Ų | 52 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -39.5 | -167.8 | -25.6 | 32.8 | 0 | 0 | 0 | 114.9 | D162 L164 Q180 | D162-P177 WeakPolarHBondContact O-CD 3.29Å; L164-P177 HydrophobicContact CG-CB 4.24Å; L164-P177 HydrophobicContact CG-CG 4.2Å; P177-Q180 PolarHBondContact O-NE2 2.79Å |
| 178 | Q | 88.6 | Confident | 92.7 | Very high | 159 Ų | 159 | 52.1 Ų | 52.1 | 74% | 0.743 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -33.9 | -167.6 | -64.1 | 78.2 | 6.3 | 0 | 0 | 113.7 | E176 | E176-Q178 PolarHBondContact O-N 3.29Š|
| 179 | N | 89.3 | Confident | 92.6 | Very high | 89 Ų | 89 | 53.3 Ų | 53.3 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -1.9 | -173.5 | 61.6 | 30 | 0 | 0 | 0 | 113.3 | E176 T181 | E176-N179 PolarHBondContact OE2-ND2 2.96Å; N179-T181 PolarHBondContact O-N 2.81Å; N179-T181 WeakPolarHBondContact OD1-CB 3.4Å; N179-T181 PolarHBondContact OD1-N 2.84Å; N179-T181 PolarHBondContact OD1-OG1 3.5Å |
| 180 | Q | 89.3 | Confident | 92.8 | Very high | 106 Ų | 106 | 50.8 Ų | 50.8 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | trans | 58.8 | 26.8 | -176.9 | -57.3 | -66.3 | -58.5 | 0 | 0 | 114.5 | L164 V175 E176 P177 L182 | L164-Q180 VanDerWaalsContact CD1-NE2 3.33Å; V175-Q180 HydrophobicContact CG1-CB 4.26Å; E176-Q180 WeakPolarHBondContact O-CA 3.44Å; E176-Q180 PolarHBondContact O-N 3.3Å; P177-Q180 PolarHBondContact O-NE2 2.79Å; Q180-L182 PolarHBondContact O-N 2.81Å | ||
| 181 | T | 91.8 | Very high | 92.9 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | trans | -71.1 | 128.5 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | V175 E176 N179 L183 | V175-T181 CarbonylContact C-O 3.59Å; V175-T181 WeakPolarHBondContact CA-O 3.41Å; E176-T181 PolarHBondContact N-O 3.47Å; N179-T181 PolarHBondContact O-N 2.81Å; N179-T181 WeakPolarHBondContact OD1-CB 3.4Å; N179-T181 PolarHBondContact OD1-N 2.84Å; N179-T181 PolarHBondContact OD1-OG1 3.5Å; T181-L183 HydrophobicContact CG2-CD2 4.17Å; T181-L183 PolarHBondContact O-N 3.2Å | ||
| 182 | L | 92.3 | Very high | 92.8 | Very high | 98 Ų | 98 | 51.4 Ų | 51.4 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 111.5 | 172.5 | -178.7 | 66.1 | 0 | 0 | 0 | 110.5 | K173 V175 Q180 H184 A185 | K173-L182 HydrophobicContact CB-CD1 3.76Å; K173-L182 HydrophobicContact CD-CD1 4.48Å; K173-L182 HydrophobicContact CG-CD1 4.16Å; V175-L182 HydrophobicContact CG2-CD1 4.05Å; Q180-L182 PolarHBondContact O-N 2.81Å; L182-H184 VanDerWaalsContact CD1-O 3.31Å; L182-H184 WeakPolarHBondContact CD1-O 3.44Å; L182-A185 HydrophobicContact CD2-CB 4.43Å |
| 183 | L | 92.2 | Very high | 92.7 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -32.6 | -180 | -56.6 | -177.5 | 0 | 0 | 0 | 112.6 | W157 L163 L174 E176 T181 | W157-L183 HydrophobicContact CB-CB 4.27Å; W157-L183 HydrophobicContact CB-CD1 4.01Å; W157-L183 HydrophobicContact CG-CB 4.42Å; L163-L183 HydrophobicContact CD2-CD1 3.68Å; L174-L183 PolarHBondContact O-N 2.85Å; E176-L183 HydrophobicContact CB-CD1 4.04Å; E176-L183 HydrophobicContact CB-CD2 4.42Å; E176-L183 HydrophobicContact CB-CG 4.25Å; T181-L183 HydrophobicContact CG2-CD2 4.17Å; T181-L183 PolarHBondContact O-N 3.2Å |
| 184 | H | 92.1 | Very high | 92.7 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 148.6 | 179.2 | -170.1 | 72.2 | 0 | 0 | 0 | 112.1 | W157 K173 L174 L182 | W157-H184 HydrophobicContact CD2-CB 4.35Å; W157-H184 AromaticContact CE2-CG 3.92Å; W157-H184 AromaticContact CE2-ND1 3.95Å; W157-H184 HydrophobicContact CZ2-CB 4.09Å; W157-H184 AromaticContact CZ2-CE1 3.85Å; W157-H184 AromaticContact CZ2-CG 3.64Å; W157-H184 AromaticContact CZ2-ND1 3.45Å; W157-H184 WeakPolarHBondContact CZ2-ND1 3.29Å; K173-H184 CarbonylContact C-O 3.45Å; K173-H184 WeakPolarHBondContact CA-O 3.24Å; L174-H184 HydrophobicContact CB-CB 4.01Å; L174-H184 HydrophobicContact CD1-CB 4.01Å; L174-H184 HydrophobicContact CG-CB 4.17Å; L174-H184 PolarHBondContact N-O 3.45Å; L174-H184 PolarHBondContact O-N 3.07Å; L182-H184 VanDerWaalsContact CD1-O 3.31Å; L182-H184 WeakPolarHBondContact CD1-O 3.44Å |
| 185 | A | 94.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 111.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T171 L182 | T171-A185 HydrophobicContact CG2-CB 4.13Å; L182-A185 HydrophobicContact CD2-CB 4.43Å |
| 186 | Q | 95.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 109.8 | -177.5 | 174.2 | 53.5 | 54.9 | 0 | 0 | 109.9 | L172 I188 I191 Y208 A210 | L172-Q186 HydrophobicContact CB-CB 4.42Å; L172-Q186 PolarHBondContact N-O 3.03Å; L172-Q186 PolarHBondContact O-N 2.82Å; Q186-I188 PolarHBondContact O-N 3.43Å; Q186-I191 HydrophobicContact CG-CD1 4.18Å; Q186-I191 HydrophobicContact CG-CG1 3.73Å; Q186-Y208 HydrophobicContact CB-CE2 4.48Å; Q186-Y208 HydrophobicContact CG-CE2 3.88Å; Q186-A210 HydrophobicContact CG-CB 4.24Å |
| 187 | P | 94.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 26% | 0.26 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 128.6 | 173.2 | -24.7 | 34.7 | 0 | 0 | 0 | 110.7 | V189 S190 I191 | P187-V189 HydrophobicContact CB-CG2 3.88Å; P187-V189 PolarHBondContact O-N 2.99Å; P187-S190 PolarHBondContact O-N 2.93Å; P187-I191 PolarHBondContact O-N 3.45Å |
| 188 | I | 93.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -62.6 | -34.6 | -176.4 | -66.9 | 168.6 | 0 | 0 | 0 | 110.2 | L167 E170 L172 Q186 S190 I191 L236 I239 C240 I243 | L167-I188 HydrophobicContact CD2-CD1 4.37Å; E170-I188 VanDerWaalsContact O-CB 3.24Å; E170-I188 WeakPolarHBondContact O-CB 3.44Å; E170-I188 WeakPolarHBondContact O-CG1 3.28Å; E170-I188 PolarHBondContact O-N 2.99Å; L172-I188 HydrophobicContact CB-CG1 4.36Å; Q186-I188 PolarHBondContact O-N 3.43Å; I188-S190 PolarHBondContact O-N 3.36Å; I188-I191 HydrophobicContact CG1-CD1 4.42Å; I188-I191 WeakPolarHBondContact O-CB 3.48Å; I188-I191 PolarHBondContact O-N 2.99Å; I188-L236 HydrophobicContact CD1-CD2 3.75Å; I188-L236 HydrophobicContact CG1-CD2 3.82Å; I188-L236 HydrophobicContact CG2-CD2 4.08Å; I188-I239 HydrophobicContact CD1-CB 4.33Å; I188-I239 HydrophobicContact CD1-CD1 4.13Å; I188-I239 HydrophobicContact CD1-CG2 3.69Å; I188-C240 WeakPolarHBondContact CG2-SG 3.44Å; I188-I243 HydrophobicContact CG2-CD1 4.44Å |
| 189 | V | 90.4 | Very high | 92.1 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -61.3 | -10.9 | 173.7 | -58.2 | 0 | 0 | 0 | 0 | 114.9 | P187 I243 R247 | P187-V189 HydrophobicContact CB-CG2 3.88Å; P187-V189 PolarHBondContact O-N 2.99Å; V189-I243 HydrophobicContact CG1-CD1 3.94Å; V189-I243 HydrophobicContact CG1-CG2 4.1Å; V189-R247 VanDerWaalsContact CG1-NH2 3.3Å |
| 190 | S | 92.2 | Very high | 91.3 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -115.4 | 3.4 | 178.3 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | P187 I188 | P187-S190 PolarHBondContact O-N 2.93Å; I188-S190 PolarHBondContact O-N 3.36Å |
| 191 | I | 94.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.9 | 167.3 | -61.7 | 176.6 | 0 | 0 | 0 | 107.9 | L172 Q186 P187 I188 V193 W194 Y208 L236 | L172-I191 HydrophobicContact CB-CD1 4.44Å; L172-I191 HydrophobicContact CD1-CD1 4.06Å; Q186-I191 HydrophobicContact CG-CD1 4.18Å; Q186-I191 HydrophobicContact CG-CG1 3.73Å; P187-I191 PolarHBondContact O-N 3.45Å; I188-I191 HydrophobicContact CG1-CD1 4.42Å; I188-I191 WeakPolarHBondContact O-CB 3.48Å; I188-I191 PolarHBondContact O-N 2.99Å; I191-V193 WeakPolarHBondContact CG2-O 3.43Å; I191-W194 HydrophobicContact CG2-CE3 4.07Å; I191-Y208 HydrophobicContact CD1-CD2 4.41Å; I191-Y208 HydrophobicContact CG1-CD2 4.29Å; I191-Y208 HydrophobicContact CG2-CD2 4.46Å; I191-L236 HydrophobicContact CD1-CD2 4.49Å |
| 192 | R | 92.3 | Very high | 90.3 | Very high | 105 Ų | 105 | 53.7 Ų | 53.7 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -44.3 | -178.2 | -69.1 | -66.1 | -54.9 | -88.5 | -4.8 | 112.2 | E123 L126 V209 L218 | E123-R192 VanDerWaalsContact CD-NH1 3.29Å; E123-R192 IonicContact OE1-CZ 4Å; E123-R192 VanDerWaalsContact OE1-CZ 3.24Å; E123-R192 IonicContact OE1-NH1 3.62Å; E123-R192 PolarHBondContact OE1-NH1 2.85Å; E123-R192 IonicContact OE1-NH2 2.97Å; E123-R192 PolarHBondContact OE1-NH2 2.93Å; E123-R192 IonicContact OE2-CZ 3.16Å; E123-R192 IonicContact OE2-NH1 2.76Å; E123-R192 PolarHBondContact OE2-NH1 2.91Å; E123-R192 IonicContact OE2-NH2 2.69Å; L126-R192 HydrophobicContact CD1-CB 4.19Å; L126-R192 HydrophobicContact CD1-CG 4.44Å; R192-V209 HydrophobicContact CB-CB 4.49Å; R192-V209 PolarHBondContact N-O 2.98Å; R192-L218 HydrophobicContact CG-CD2 4.1Å |
| 193 | V | 95.2 | Very high | 90 | Very high | 27 Ų | 27 | 55.2 Ų | 55.2 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 148.1 | -174.9 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | L126 V135 I191 Y208 V209 | L126-V193 HydrophobicContact CD2-CG2 4.2Å; V135-V193 HydrophobicContact CG2-CB 4.42Å; V135-V193 HydrophobicContact CG2-CG1 3.94Å; I191-V193 WeakPolarHBondContact CG2-O 3.43Å; V193-Y208 WeakPolarHBondContact O-CA 3.46Å; V193-V209 HydrophobicContact CB-CB 4.38Å; V193-V209 HydrophobicContact CB-CG2 4.24Å; V193-V209 PolarHBondContact O-N 3.46Å |
| 194 | W | 96.3 | Very high | 90 | Very high | 75 Ų | 75 | 58.8 Ų | 58.8 | 28% | 0.284 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 161.8 | 162 | 66.6 | 87.5 | 0 | 0 | 0 | 111 | I191 F206 A207 A233 L236 H237 C240 | I191-W194 HydrophobicContact CG2-CE3 4.07Å; W194-F206 HydrophobicContact CB-CE2 4.02Å; W194-F206 HydrophobicContact CB-CZ 4.07Å; W194-F206 HydrophobicContact CG-CE2 4.39Å; W194-A207 CarbonylContact C-O 3.57Å; W194-A207 WeakPolarHBondContact CA-O 3.31Å; W194-A207 WeakPolarHBondContact CB-O 3.45Å; W194-A233 PolarHBondContact NE1-O 2.74Å; W194-L236 HydrophobicContact CD2-CB 4.4Å; W194-L236 HydrophobicContact CD2-CD1 4.4Å; W194-L236 HydrophobicContact CG-CD1 4.23Å; W194-L236 HydrophobicContact CZ2-CB 4.21Å; W194-H237 HydrophobicContact CZ2-CB 4.21Å; W194-C240 HydrophobicContact CH2-CB 4.12Å; W194-C240 VanDerWaalsContact CH2-SG 3.5Å |
| 195 | G | 94.9 | Very high | 90.2 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 170.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F206 A207 | G195-F206 VanDerWaalsContact O-CD2 3.29Å; G195-F206 WeakPolarHBondContact O-CD2 3.22Å; G195-A207 PolarHBondContact N-O 3.44Å; G195-A207 PolarHBondContact O-N 2.93Å |
| 196 | V | 94.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 22% | 0.218 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141 | 174.9 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | R198 D205 F206 A229 A233 | V196-R198 PolarHBondContact O-N 3.35Å; V196-D205 CarbonylContact C-O 3.51Å; V196-D205 WeakPolarHBondContact CA-O 3.39Å; V196-F206 HydrophobicContact CG2-CD2 4.4Å; V196-A229 HydrophobicContact CB-CB 4.47Å; V196-A229 HydrophobicContact CG1-CB 3.79Å; V196-A229 HydrophobicContact CG2-CB 4.01Å; V196-A233 HydrophobicContact CG2-CB 3.76Å |
| 197 | G | 90.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | trans | -59.6 | 130.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R202 D205 | G197-R202 VanDerWaalsContact CA-O 3.3Å; G197-R202 WeakPolarHBondContact CA-O 3.47Å; G197-D205 PolarHBondContact N-O 2.88Å | ||
| 198 | R | 85.1 | Confident | 90.6 | Very high | 195 Ų | 195 | 52.2 Ų | 52.2 | 74% | 0.736 | 28% | 0.276 | S | S | * | . | trans | -97.3 | -14.6 | -177.8 | -62.5 | -174.1 | -179.1 | -170 | -0.2 | 114.6 | N136 V196 | N136-R198 PolarHBondContact OD1-N 2.72Å; V196-R198 PolarHBondContact O-N 3.35Å | ||
| 199 | D | 84.1 | Confident | 90.7 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -79.4 | 151.2 | -179.5 | -52.6 | -22.8 | 0 | 0 | 0 | 110 | R140 G201 R202 | R140-D199 IonicContact CZ-OD1 3.97Å; R140-D199 IonicContact CZ-OD2 3.75Å; R140-D199 IonicContact NE-OD1 2.8Å; R140-D199 IonicContact NE-OD2 3.86Å; R140-D199 PolarHBondContact NE-OD2 2.88Å; R140-D199 IonicContact NH2-OD1 3.73Å; R140-D199 PolarHBondContact NH2-OD1 3.38Å; R140-D199 IonicContact NH2-OD2 3.24Å; R140-D199 PolarHBondContact NH2-OD2 2.96Å; D199-G201 PolarHBondContact O-N 2.78Å; D199-R202 PolarHBondContact O-N 2.81Å; D199-R202 IonicContact OD2-CZ 2.71Å; D199-R202 VanDerWaalsContact OD2-CZ 3.29Å; D199-R202 IonicContact OD2-NH1 3.65Å; D199-R202 PolarHBondContact OD2-NH1 2.84Å; D199-R202 IonicContact OD2-NH2 3.1Å; D199-R202 PolarHBondContact OD2-NH2 2.71Å |
| 200 | S | 73.1 | Confident | 91 | Very high | 117 Ų | 117 | 49 Ų | 49 | 82% | 0.818 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 131.1 | 177.2 | 39.8 | 0 | 0 | 0 | 0 | 111.6 | R202 | S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.02Å |
| 201 | G | 76.8 | Confident | 91 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -13 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D199 | D199-G201 PolarHBondContact O-N 2.78Š|
| 202 | R | 81.9 | Confident | 90.7 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | trans | -106.8 | 12.5 | -178.8 | -57.1 | -151.5 | -120.7 | 83.6 | 16.4 | 114.9 | S143 Y144 G197 D199 S200 R204 D205 | S143-R202 VanDerWaalsContact CB-CD 3.46Å; S143-R202 VanDerWaalsContact OG-CD 3.26Å; S143-R202 WeakPolarHBondContact OG-CD 3.46Å; Y144-R202 PolarHBondContact OH-NH2 3.19Å; G197-R202 VanDerWaalsContact CA-O 3.3Å; G197-R202 WeakPolarHBondContact CA-O 3.47Å; D199-R202 PolarHBondContact O-N 2.81Å; D199-R202 IonicContact OD2-CZ 2.71Å; D199-R202 VanDerWaalsContact OD2-CZ 3.29Å; D199-R202 IonicContact OD2-NH1 3.65Å; D199-R202 PolarHBondContact OD2-NH1 2.84Å; D199-R202 IonicContact OD2-NH2 3.1Å; D199-R202 PolarHBondContact OD2-NH2 2.71Å; S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.02Å; R202-R204 PolarHBondContact O-N 3.07Å; R202-D205 HydrophobicContact CB-CB 4.44Å; R202-D205 WeakPolarHBondContact CB-OD2 3.25Å; R202-D205 VanDerWaalsContact CD-OD2 3.31Å; R202-D205 WeakPolarHBondContact CD-OD2 3.36Å; R202-D205 WeakPolarHBondContact CG-OD2 3.43Å; R202-D205 PolarHBondContact O-N 2.82Å | ||
| 203 | E | 86.4 | Confident | 90.2 | Very high | 131 Ų | 131 | 54.5 Ų | 54.5 | 61% | 0.612 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -10.7 | 167.9 | -60.3 | 176.7 | -147.9 | 0 | 0 | 114.2 | A229 | E203-A229 WeakPolarHBondContact O-CB 3.22Å; E203-A229 PolarHBondContact O-N 2.94Å |
| 204 | R | 93.4 | Very high | 89.6 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -9.5 | 175.5 | -66.5 | -179.9 | 171.2 | -78.3 | 6.5 | 113.1 | R202 C225 E226 | R202-R204 PolarHBondContact O-N 3.07Å; R204-C225 PolarHBondContact NH1-O 2.74Å; R204-C225 VanDerWaalsContact O-CB 3.25Å; R204-C225 WeakPolarHBondContact O-CB 3.4Å; R204-C225 PolarHBondContact O-N 3.17Å; R204-C225 PolarHBondContact O-SG 2.65Å; R204-E226 PolarHBondContact NH1-O 2.79Å |
| 205 | D | 95.1 | Very high | 89 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.2 | -178.5 | -59.7 | -34.3 | 0 | 0 | 0 | 109.4 | I139 S143 V196 G197 R202 F223 R224 | I139-D205 HydrophobicContact CG2-CB 3.6Å; S143-D205 PolarHBondContact OG-OD2 3.16Å; V196-D205 CarbonylContact C-O 3.51Å; V196-D205 WeakPolarHBondContact CA-O 3.39Å; G197-D205 PolarHBondContact N-O 2.88Å; R202-D205 HydrophobicContact CB-CB 4.44Å; R202-D205 WeakPolarHBondContact CB-OD2 3.25Å; R202-D205 VanDerWaalsContact CD-OD2 3.31Å; R202-D205 WeakPolarHBondContact CD-OD2 3.36Å; R202-D205 WeakPolarHBondContact CG-OD2 3.43Å; R202-D205 PolarHBondContact O-N 2.82Å; D205-F223 CarbonylContact C-O 3.58Å; D205-F223 WeakPolarHBondContact CA-O 3.43Å; D205-R224 VanDerWaalsContact CG-NH2 3.27Å; D205-R224 WeakPolarHBondContact OD1-CB 3.31Å; D205-R224 WeakPolarHBondContact OD1-CG 3.27Å; D205-R224 IonicContact OD1-CZ 2.65Å; D205-R224 VanDerWaalsContact OD1-CZ 3.31Å; D205-R224 IonicContact OD1-NE 3.57Å; D205-R224 PolarHBondContact OD1-NE 3.15Å; D205-R224 IonicContact OD1-NH2 3.9Å; D205-R224 PolarHBondContact OD1-NH2 2.86Å; D205-R224 VanDerWaalsContact OD1-NH2 3.07Å; D205-R224 IonicContact OD2-CZ 3.62Å; D205-R224 IonicContact OD2-NE 3.42Å; D205-R224 IonicContact OD2-NH2 3.63Å; D205-R224 PolarHBondContact OD2-NH2 2.98Å |
| 206 | F | 97.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 147.3 | 174.9 | 175.4 | -110.9 | 0 | 0 | 0 | 109.7 | L165 W194 G195 V196 Y208 V222 F223 A229 I232 L236 | L165-F206 HydrophobicContact CD1-CD1 4.16Å; L165-F206 HydrophobicContact CD1-CE1 4.17Å; W194-F206 HydrophobicContact CB-CE2 4.02Å; W194-F206 HydrophobicContact CB-CZ 4.07Å; W194-F206 HydrophobicContact CG-CE2 4.39Å; G195-F206 VanDerWaalsContact O-CD2 3.29Å; G195-F206 WeakPolarHBondContact O-CD2 3.22Å; V196-F206 HydrophobicContact CG2-CD2 4.4Å; F206-Y208 HydrophobicContact CE1-CD1 4.04Å; F206-V222 WeakPolarHBondContact O-CA 3.37Å; F206-F223 HydrophobicContact CD1-CD2 4.22Å; F206-F223 PolarHBondContact N-O 3.22Å; F206-F223 PolarHBondContact O-N 2.93Å; F206-A229 HydrophobicContact CB-CB 3.81Å; F206-I232 HydrophobicContact CB-CD1 4.4Å; F206-I232 HydrophobicContact CD1-CD1 4.39Å; F206-I232 HydrophobicContact CD1-CG2 4.11Å; F206-I232 HydrophobicContact CD2-CB 4.2Å; F206-I232 HydrophobicContact CD2-CG2 4.18Å; F206-I232 HydrophobicContact CE1-CG2 3.94Å; F206-I232 HydrophobicContact CE2-CB 4.42Å; F206-I232 HydrophobicContact CE2-CG2 4.03Å; F206-I232 HydrophobicContact CG-CB 4.35Å; F206-I232 HydrophobicContact CG-CD1 4.34Å; F206-I232 HydrophobicContact CG-CG2 4.24Å; F206-I232 HydrophobicContact CZ-CG2 3.93Å; F206-L236 HydrophobicContact CE1-CD1 4.36Å; F206-L236 HydrophobicContact CE2-CD1 3.95Å; F206-L236 HydrophobicContact CZ-CD1 3.41Å; F206-L236 VanDerWaalsContact CZ-CD1 3.41Å |
| 207 | A | 97.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V135 I139 W194 G195 H221 V222 | V135-A207 HydrophobicContact CG1-CB 3.75Å; I139-A207 HydrophobicContact CD1-CB 3.81Å; I139-A207 HydrophobicContact CG1-CB 3.8Å; W194-A207 CarbonylContact C-O 3.57Å; W194-A207 WeakPolarHBondContact CA-O 3.31Å; W194-A207 WeakPolarHBondContact CB-O 3.45Å; G195-A207 PolarHBondContact N-O 3.44Å; G195-A207 PolarHBondContact O-N 2.93Å; A207-H221 VanDerWaalsContact CA-O 3.24Å; A207-H221 WeakPolarHBondContact CA-O 3.35Å; A207-V222 HydrophobicContact CB-CG2 3.95Å |
| 208 | Y | 97.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.5 | 167.9 | 78 | -96.9 | 0 | 0 | 0 | 111.4 | L172 Q186 I191 V193 F206 A210 C220 H221 F223 | L172-Y208 HydrophobicContact CD1-CD1 3.89Å; L172-Y208 HydrophobicContact CD1-CE1 3.99Å; L172-Y208 HydrophobicContact CD1-CG 4.47Å; L172-Y208 HydrophobicContact CD2-CE1 4.04Å; Q186-Y208 HydrophobicContact CB-CE2 4.48Å; Q186-Y208 HydrophobicContact CG-CE2 3.88Å; I191-Y208 HydrophobicContact CD1-CD2 4.41Å; I191-Y208 HydrophobicContact CG1-CD2 4.29Å; I191-Y208 HydrophobicContact CG2-CD2 4.46Å; V193-Y208 WeakPolarHBondContact O-CA 3.46Å; F206-Y208 HydrophobicContact CE1-CD1 4.04Å; Y208-A210 HydrophobicContact CD2-CB 4.12Å; Y208-A210 HydrophobicContact CE2-CB 3.93Å; Y208-C220 WeakPolarHBondContact O-CA 3.3Å; Y208-H221 HydrophobicContact CD1-CB 4.36Å; Y208-H221 HydrophobicContact CE1-CB 4.01Å; Y208-H221 HydrophobicContact CE2-CB 4.48Å; Y208-H221 AromaticContact CE2-CD2 3.74Å; Y208-H221 AromaticContact CZ-CD2 3.85Å; Y208-H221 PolarHBondContact N-O 2.62Å; Y208-H221 PolarHBondContact O-N 3.06Å; Y208-F223 AromaticContact CD1-CE2 3.77Å; Y208-F223 HydrophobicContact CD1-CE2 3.77Å; Y208-F223 AromaticContact CE1-CE2 3.47Å; Y208-F223 HydrophobicContact CE1-CE2 3.47Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.47Å; Y208-F223 AromaticContact CE1-CZ 3.9Å; Y208-F223 HydrophobicContact CE1-CZ 3.9Å |
| 209 | V | 97.2 | Very high | 89 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.6 | 175.1 | -168 | 0 | 0 | 0 | 0 | 109.5 | M121 L126 V135 R192 V193 L218 K219 C220 | M121-V209 HydrophobicContact CG-CG1 4.14Å; L126-V209 HydrophobicContact CD1-CG1 3.71Å; L126-V209 HydrophobicContact CD2-CB 4.37Å; L126-V209 HydrophobicContact CD2-CG1 4Å; L126-V209 HydrophobicContact CD2-CG2 4.11Å; L126-V209 HydrophobicContact CG-CG1 4.49Å; V135-V209 HydrophobicContact CG2-CG2 3.67Å; R192-V209 HydrophobicContact CB-CB 4.49Å; R192-V209 PolarHBondContact N-O 2.98Å; V193-V209 HydrophobicContact CB-CB 4.38Å; V193-V209 HydrophobicContact CB-CG2 4.24Å; V193-V209 PolarHBondContact O-N 3.46Å; V209-L218 HydrophobicContact CG1-CB 4.43Å; V209-K219 WeakPolarHBondContact CA-O 3.36Å; V209-C220 HydrophobicContact CG2-CB 3.95Å |
| 210 | A | 95.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 167.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q186 Y208 L218 K219 | Q186-A210 HydrophobicContact CG-CB 4.24Å; Y208-A210 HydrophobicContact CD2-CB 4.12Å; Y208-A210 HydrophobicContact CE2-CB 3.93Å; A210-L218 WeakPolarHBondContact O-CA 3.31Å; A210-K219 PolarHBondContact N-O 3.12Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 2.85Å |
| 211 | R | 92.1 | Very high | 90.7 | Very high | 113 Ų | 113 | 49.9 Ų | 49.9 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.2 | 171.2 | -171.5 | 174.1 | -73.1 | -172.1 | -1.7 | 110 | E123 Q216 M217 L218 | E123-R211 IonicContact OE2-NH2 2.71Å; R211-Q216 VanDerWaalsContact CD-O 3.23Å; R211-Q216 WeakPolarHBondContact CD-O 3.47Å; R211-Q216 VanDerWaalsContact CG-O 3.23Å; R211-Q216 WeakPolarHBondContact CG-O 3.32Å; R211-Q216 PolarHBondContact NE-O 2.81Å; R211-M217 WeakPolarHBondContact CA-O 3.35Å; R211-L218 HydrophobicContact CB-CD2 4.03Å |
| 212 | D | 88.5 | Confident | 91.6 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | trans | -62.4 | 131.8 | 173.6 | -169.7 | -63.8 | 0 | 0 | 0 | 110.4 | L214 T215 Q216 M217 K219 | D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.71Å; D212-L214 WeakPolarHBondContact OD1-CA 3.31Å; D212-L214 PolarHBondContact OD1-N 2.91Å; D212-T215 WeakPolarHBondContact CB-OG1 3.24Å; D212-T215 PolarHBondContact OD1-N 2.94Å; D212-Q216 VanDerWaalsContact O-CA 3.25Å; D212-Q216 WeakPolarHBondContact O-CA 3.46Å; D212-Q216 PolarHBondContact O-N 2.81Å; D212-M217 PolarHBondContact N-O 3Å; D212-K219 HydrophobicContact CB-CD 4.27Å; D212-K219 WeakPolarHBondContact OD2-CE 3.33Å; D212-K219 IonicContact OD2-NZ 2.68Å; D212-K219 PolarHBondContact OD2-NZ 3.27Å | ||
| 213 | K | 81.3 | Confident | 92.3 | Very high | 149 Ų | 149 | 45.8 Ų | 45.8 | 65% | 0.648 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -32.1 | -176.5 | -67.1 | 177.5 | -177.4 | 169 | 0 | 112.6 | Q216 | K213-Q216 PolarHBondContact O-NE2 2.81Å; K213-Q216 VanDerWaalsContact O-NE2 3.1Å |
| 214 | L | 82 | Confident | 92.6 | Very high | 154 Ų | 154 | 43.9 Ų | 43.9 | 81% | 0.806 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -49.2 | -175 | -60.2 | 177.3 | 0 | 0 | 0 | 111.2 | D212 | D212-L214 VanDerWaalsContact C-N 3.33Å; D212-L214 PolarHBondContact O-N 2.71Å; D212-L214 WeakPolarHBondContact OD1-CA 3.31Å; D212-L214 PolarHBondContact OD1-N 2.91Å |
| 215 | T | 84.5 | Confident | 92.7 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.4 | -174.9 | 70.3 | 0 | 0 | 0 | 0 | 114 | D212 M217 | D212-T215 WeakPolarHBondContact CB-OG1 3.24Å; D212-T215 PolarHBondContact OD1-N 2.94Å; T215-M217 VanDerWaalsContact CB-SD 3.55Å; T215-M217 HydrophobicContact CG2-SD 4.11Å; T215-M217 PolarHBondContact O-N 3.1Å; T215-M217 WeakPolarHBondContact OG1-CB 3.47Å; T215-M217 VanDerWaalsContact OG1-CG 3.24Å; T215-M217 WeakPolarHBondContact OG1-CG 3.43Å; T215-M217 PolarHBondContact OG1-N 3.26Å; T215-M217 PolarHBondContact OG1-SD 3.34Å |
| 216 | Q | 86.7 | Confident | 92.6 | Very high | 108 Ų | 108 | 46 Ų | 46 | 51% | 0.505 | 22% | 0.215 | S | C | . | . | trans | 58.5 | 5.1 | -172.9 | -61.1 | -65 | -53.9 | 0 | 0 | 115.3 | R211 D212 K213 | R211-Q216 VanDerWaalsContact CD-O 3.23Å; R211-Q216 WeakPolarHBondContact CD-O 3.47Å; R211-Q216 VanDerWaalsContact CG-O 3.23Å; R211-Q216 WeakPolarHBondContact CG-O 3.32Å; R211-Q216 PolarHBondContact NE-O 2.81Å; D212-Q216 VanDerWaalsContact O-CA 3.25Å; D212-Q216 WeakPolarHBondContact O-CA 3.46Å; D212-Q216 PolarHBondContact O-N 2.81Å; K213-Q216 PolarHBondContact O-NE2 2.81Å; K213-Q216 VanDerWaalsContact O-NE2 3.1Å | ||
| 217 | M | 89.7 | Confident | 92.4 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | trans | -66.5 | 146.9 | 173 | -58.8 | 159.1 | 83.6 | 0 | 0 | 110.3 | W118 E120 R211 D212 T215 | W118-M217 HydrophobicContact CH2-CE 4.39Å; W118-M217 HydrophobicContact CZ3-CE 4.42Å; E120-M217 HydrophobicContact CB-CE 4.4Å; E120-M217 HydrophobicContact CG-CE 4.12Å; E120-M217 WeakPolarHBondContact OE1-CE 3.34Å; E120-M217 WeakPolarHBondContact OE2-CE 3.46Å; R211-M217 WeakPolarHBondContact CA-O 3.35Å; D212-M217 PolarHBondContact N-O 3Å; T215-M217 VanDerWaalsContact CB-SD 3.55Å; T215-M217 HydrophobicContact CG2-SD 4.11Å; T215-M217 PolarHBondContact O-N 3.1Å; T215-M217 WeakPolarHBondContact OG1-CB 3.47Å; T215-M217 VanDerWaalsContact OG1-CG 3.24Å; T215-M217 WeakPolarHBondContact OG1-CG 3.43Å; T215-M217 PolarHBondContact OG1-N 3.26Å; T215-M217 PolarHBondContact OG1-SD 3.34Å | ||
| 218 | L | 93.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.6 | 167.7 | -66.2 | 157.2 | 0 | 0 | 0 | 108.2 | E120 M121 E123 L126 R192 V209 A210 R211 | E120-L218 WeakPolarHBondContact CA-O 3.12Å; M121-L218 HydrophobicContact CB-CB 4.04Å; M121-L218 PolarHBondContact N-O 2.97Å; M121-L218 WeakPolarHBondContact O-CB 3.19Å; E123-L218 HydrophobicContact CB-CD1 4.35Å; L126-L218 HydrophobicContact CD1-CB 4.42Å; L126-L218 HydrophobicContact CD1-CD1 3.76Å; L126-L218 HydrophobicContact CD1-CD2 3.92Å; L126-L218 HydrophobicContact CD1-CG 4.25Å; R192-L218 HydrophobicContact CG-CD2 4.1Å; V209-L218 HydrophobicContact CG1-CB 4.43Å; A210-L218 WeakPolarHBondContact O-CA 3.31Å; R211-L218 HydrophobicContact CB-CD2 4.03Å |
| 219 | K | 95.3 | Very high | 92 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.9 | -178.7 | -66.2 | -178 | 176.1 | 172.1 | 0 | 110 | W118 V119 V209 A210 D212 H221 | W118-K219 HydrophobicContact CD2-CD 4Å; W118-K219 HydrophobicContact CD2-CG 4.31Å; W118-K219 HydrophobicContact CE3-CB 4.16Å; W118-K219 HydrophobicContact CE3-CD 3.77Å; W118-K219 HydrophobicContact CE3-CG 3.65Å; W118-K219 HydrophobicContact CH2-CD 4.43Å; W118-K219 HydrophobicContact CZ3-CD 4.01Å; W118-K219 HydrophobicContact CZ3-CG 3.92Å; V119-K219 WeakPolarHBondContact O-CA 3.25Å; V209-K219 WeakPolarHBondContact CA-O 3.36Å; A210-K219 PolarHBondContact N-O 3.12Å; A210-K219 VanDerWaalsContact N-O 3.15Å; A210-K219 PolarHBondContact O-N 2.85Å; D212-K219 HydrophobicContact CB-CD 4.27Å; D212-K219 WeakPolarHBondContact OD2-CE 3.33Å; D212-K219 IonicContact OD2-NZ 2.68Å; D212-K219 PolarHBondContact OD2-NZ 3.27Å; K219-H221 VanDerWaalsContact CB-NE2 3.28Å; K219-H221 WeakPolarHBondContact CB-NE2 3.48Å |
| 220 | C | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 104 | 168.8 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | W118 V119 M121 C138 Y208 V209 | W118-C220 CarbonylContact C-O 3.49Å; W118-C220 WeakPolarHBondContact CA-O 3.28Å; V119-C220 PolarHBondContact N-O 3.22Å; V119-C220 PolarHBondContact O-N 2.8Å; M121-C220 HydrophobicContact CG-CB 3.66Å; M121-C220 HydrophobicContact SD-CB 3.54Å; M121-C220 VanDerWaalsContact SD-CB 3.54Å; C138-C220 HydrophobicContact CB-CB 4.23Å; C138-C220 VanDerWaalsContact CB-SG 3.53Å; C138-C220 VanDerWaalsContact SG-SG 3.62Å; Y208-C220 WeakPolarHBondContact O-CA 3.3Å; V209-C220 HydrophobicContact CG2-CB 3.95Å |
| 221 | H | 95.8 | Very high | 91.8 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130 | 178 | -61.7 | -77.9 | 0 | 0 | 0 | 109.6 | W118 W157 A207 Y208 K219 F223 | W118-H221 WeakPolarHBondContact CB-ND1 3.41Å; W157-H221 AromaticContact CH2-CE1 3.39Å; W157-H221 WeakPolarHBondContact CH2-CE1 3.39Å; W157-H221 AromaticContact CH2-ND1 3.47Å; W157-H221 WeakPolarHBondContact CH2-ND1 3.44Å; W157-H221 AromaticContact CH2-NE2 3.96Å; W157-H221 AromaticContact CZ3-CE1 3.88Å; W157-H221 AromaticContact CZ3-ND1 3.46Å; W157-H221 WeakPolarHBondContact CZ3-ND1 3.31Å; A207-H221 VanDerWaalsContact CA-O 3.24Å; A207-H221 WeakPolarHBondContact CA-O 3.35Å; Y208-H221 HydrophobicContact CD1-CB 4.36Å; Y208-H221 HydrophobicContact CE1-CB 4.01Å; Y208-H221 HydrophobicContact CE2-CB 4.48Å; Y208-H221 AromaticContact CE2-CD2 3.74Å; Y208-H221 AromaticContact CZ-CD2 3.85Å; Y208-H221 PolarHBondContact N-O 2.62Å; Y208-H221 PolarHBondContact O-N 3.06Å; K219-H221 VanDerWaalsContact CB-NE2 3.28Å; K219-H221 WeakPolarHBondContact CB-NE2 3.48Å; H221-F223 HydrophobicContact CB-CE2 3.57Å; H221-F223 HydrophobicContact CB-CZ 3.89Å |
| 222 | V | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.5 | -174.7 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | L116 G117 C138 I139 L142 F206 A207 | L116-V222 HydrophobicContact CB-CB 4.3Å; L116-V222 HydrophobicContact CB-CG1 4.28Å; L116-V222 HydrophobicContact CD1-CG1 3.99Å; L116-V222 HydrophobicContact CG-CG1 4.46Å; L116-V222 PolarHBondContact N-O 3.43Å; G117-V222 PolarHBondContact O-N 2.85Å; G117-V222 VanDerWaalsContact O-N 3.16Å; C138-V222 HydrophobicContact CB-CG2 4.28Å; I139-V222 HydrophobicContact CG1-CG1 4Å; I139-V222 HydrophobicContact CG1-CG2 4.32Å; L142-V222 HydrophobicContact CB-CB 4.47Å; L142-V222 HydrophobicContact CD1-CB 3.93Å; L142-V222 HydrophobicContact CD1-CG2 3.75Å; F206-V222 WeakPolarHBondContact O-CA 3.37Å; A207-V222 HydrophobicContact CB-CG2 3.95Å |
| 223 | F | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 132 | -173.8 | -55.6 | -91.9 | 0 | 0 | 0 | 111.4 | V113 R114 W157 L163 L174 D205 F206 Y208 H221 | V113-F223 HydrophobicContact CB-CB 4.09Å; V113-F223 HydrophobicContact CG2-CB 4.2Å; V113-F223 HydrophobicContact CG2-CD1 3.88Å; V113-F223 HydrophobicContact CG2-CG 4.34Å; R114-F223 CarbonylContact O-C 3.58Å; R114-F223 VanDerWaalsContact O-CA 3.31Å; R114-F223 WeakPolarHBondContact O-CA 3.44Å; W157-F223 HydrophobicContact CZ3-CZ 4.3Å; L163-F223 HydrophobicContact CD1-CE1 4.2Å; L174-F223 HydrophobicContact CD1-CE1 3.89Å; L174-F223 HydrophobicContact CD1-CZ 3.86Å; L174-F223 HydrophobicContact CD2-CE1 4.06Å; L174-F223 HydrophobicContact CD2-CZ 4.27Å; D205-F223 CarbonylContact C-O 3.58Å; D205-F223 WeakPolarHBondContact CA-O 3.43Å; F206-F223 HydrophobicContact CD1-CD2 4.22Å; F206-F223 PolarHBondContact N-O 3.22Å; F206-F223 PolarHBondContact O-N 2.93Å; Y208-F223 AromaticContact CD1-CE2 3.77Å; Y208-F223 HydrophobicContact CD1-CE2 3.77Å; Y208-F223 AromaticContact CE1-CE2 3.47Å; Y208-F223 HydrophobicContact CE1-CE2 3.47Å; Y208-F223 VanDerWaalsContact CE1-CE2 3.47Å; Y208-F223 AromaticContact CE1-CZ 3.9Å; Y208-F223 HydrophobicContact CE1-CZ 3.9Å; H221-F223 HydrophobicContact CB-CE2 3.57Å; H221-F223 HydrophobicContact CB-CZ 3.89Å |
| 224 | R | 94.3 | Very high | 92.8 | Very high | 90 Ų | 90 | 49 Ų | 49 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.4 | 173.3 | -177.6 | 155.2 | -70.1 | 139.2 | 5.6 | 110.3 | V113 R114 L116 S143 D205 | V113-R224 CarbonylContact C-O 3.57Å; V113-R224 VanDerWaalsContact CA-O 3.28Å; V113-R224 WeakPolarHBondContact CA-O 3.32Å; R114-R224 PolarHBondContact N-O 2.91Å; R114-R224 PolarHBondContact O-N 3.16Å; L116-R224 HydrophobicContact CD1-CB 4.23Å; L116-R224 HydrophobicContact CD2-CB 4.06Å; L116-R224 HydrophobicContact CG-CB 4.23Å; S143-R224 PolarHBondContact OG-NH2 2.9Å; D205-R224 VanDerWaalsContact CG-NH2 3.27Å; D205-R224 WeakPolarHBondContact OD1-CB 3.31Å; D205-R224 WeakPolarHBondContact OD1-CG 3.27Å; D205-R224 IonicContact OD1-CZ 2.65Å; D205-R224 VanDerWaalsContact OD1-CZ 3.31Å; D205-R224 IonicContact OD1-NE 3.57Å; D205-R224 PolarHBondContact OD1-NE 3.15Å; D205-R224 IonicContact OD1-NH2 3.9Å; D205-R224 PolarHBondContact OD1-NH2 2.86Å; D205-R224 VanDerWaalsContact OD1-NH2 3.07Å; D205-R224 IonicContact OD2-CZ 3.62Å; D205-R224 IonicContact OD2-NE 3.42Å; D205-R224 IonicContact OD2-NH2 3.63Å; D205-R224 PolarHBondContact OD2-NH2 2.98Å |
| 225 | C | 94.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.2 | -168 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | V113 R204 A227 I232 | V113-C225 HydrophobicContact CG1-CB 4.21Å; R204-C225 PolarHBondContact NH1-O 2.74Å; R204-C225 VanDerWaalsContact O-CB 3.25Å; R204-C225 WeakPolarHBondContact O-CB 3.4Å; R204-C225 PolarHBondContact O-N 3.17Å; R204-C225 PolarHBondContact O-SG 2.65Å; C225-A227 VanDerWaalsContact C-N 3.27Å; C225-A227 CarbonylContact C-O 3.55Å; C225-A227 WeakPolarHBondContact CB-O 3.47Å; C225-A227 PolarHBondContact O-N 2.95Å; C225-I232 VanDerWaalsContact SG-CD1 3.55Å |
| 226 | E | 93.2 | Very high | 93.8 | Very high | 153 Ų | 153 | 39.2 Ų | 39.2 | 72% | 0.715 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -69.8 | -26.7 | 173.1 | -64.2 | -167.8 | 158.4 | 0 | 0 | 112.6 | A112 R204 | A112-E226 HydrophobicContact CB-CB 4.27Å; A112-E226 HydrophobicContact CB-CG 3.96Å; A112-E226 VanDerWaalsContact CB-OE2 3.24Å; A112-E226 WeakPolarHBondContact CB-OE2 3.43Å; A112-E226 PolarHBondContact O-N 2.85Å; A112-E226 VanDerWaalsContact O-N 3.12Å; R204-E226 PolarHBondContact NH1-O 2.79Å |
| 227 | A | 92.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -96.4 | 163.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | C225 A229 | C225-A227 VanDerWaalsContact C-N 3.27Å; C225-A227 CarbonylContact C-O 3.55Å; C225-A227 WeakPolarHBondContact CB-O 3.47Å; C225-A227 PolarHBondContact O-N 2.95Å; A227-A229 PolarHBondContact O-N 2.8Å |
| 228 | P | 93.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | trans | -56.4 | 127.2 | 170.2 | -26.2 | 36.7 | 0 | 0 | 0 | 111.7 | K230 N231 | P228-K230 HydrophobicContact CB-CD 4.35Å; P228-K230 HydrophobicContact CB-CG 3.99Å; P228-K230 PolarHBondContact O-N 3.28Å; P228-K230 VanDerWaalsContact O-N 3.08Å; P228-N231 WeakPolarHBondContact O-CB 3.41Å; P228-N231 PolarHBondContact O-N 3.47Å | ||
| 229 | A | 94.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V196 E203 F206 A227 N231 I232 A233 | V196-A229 HydrophobicContact CB-CB 4.47Å; V196-A229 HydrophobicContact CG1-CB 3.79Å; V196-A229 HydrophobicContact CG2-CB 4.01Å; E203-A229 WeakPolarHBondContact O-CB 3.22Å; E203-A229 PolarHBondContact O-N 2.94Å; F206-A229 HydrophobicContact CB-CB 3.81Å; A227-A229 PolarHBondContact O-N 2.8Å; A229-N231 PolarHBondContact O-N 3.12Å; A229-N231 VanDerWaalsContact O-N 3.15Å; A229-I232 PolarHBondContact O-N 3.36Å; A229-I232 VanDerWaalsContact O-N 3.08Å; A229-A233 PolarHBondContact O-N 2.68Å |
| 230 | K | 93.4 | Very high | 93.8 | Very high | 131 Ų | 131 | 42.9 Ų | 42.9 | 57% | 0.57 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -51.8 | -32.2 | 168.3 | 72.4 | -173.7 | -177.5 | -174.9 | 0 | 112.7 | P228 I232 A233 T234 | P228-K230 HydrophobicContact CB-CD 4.35Å; P228-K230 HydrophobicContact CB-CG 3.99Å; P228-K230 PolarHBondContact O-N 3.28Å; P228-K230 VanDerWaalsContact O-N 3.08Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 3.33Å; K230-A233 PolarHBondContact O-N 3.33Å; K230-T234 WeakPolarHBondContact O-CB 3.37Å; K230-T234 PolarHBondContact O-N 3.04Å; K230-T234 PolarHBondContact O-OG1 3.48Å; K230-T234 VanDerWaalsContact O-OG1 3.06Å |
| 231 | N | 93.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -36.5 | -179.6 | -62.2 | 6.6 | 0 | 0 | 0 | 111.7 | F111 P228 A229 S235 | F111-N231 HydrophobicContact CE1-CB 4.01Å; P228-N231 WeakPolarHBondContact O-CB 3.41Å; P228-N231 PolarHBondContact O-N 3.47Å; A229-N231 PolarHBondContact O-N 3.12Å; A229-N231 VanDerWaalsContact O-N 3.15Å; N231-S235 VanDerWaalsContact O-CB 3.27Å; N231-S235 WeakPolarHBondContact O-CB 3.41Å; N231-S235 PolarHBondContact O-N 3Å; N231-S235 VanDerWaalsContact O-N 3.12Å; N231-S235 PolarHBondContact O-OG 2.89Å |
| 232 | I | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.1 | -47.5 | 174.7 | -51.1 | -173.5 | 0 | 0 | 0 | 109.6 | F111 V113 L165 F206 C225 A229 K230 T234 S235 L236 | F111-I232 HydrophobicContact CB-CD1 3.9Å; F111-I232 HydrophobicContact CB-CG1 4.18Å; F111-I232 HydrophobicContact CD1-CD1 4.41Å; F111-I232 HydrophobicContact CD1-CG1 3.77Å; F111-I232 HydrophobicContact CD2-CD1 4.29Å; F111-I232 HydrophobicContact CD2-CG1 3.89Å; F111-I232 HydrophobicContact CE1-CG1 4.07Å; F111-I232 HydrophobicContact CE2-CG1 4.18Å; F111-I232 HydrophobicContact CG-CD1 3.96Å; F111-I232 HydrophobicContact CG-CG1 3.67Å; F111-I232 HydrophobicContact CZ-CG1 4.26Å; V113-I232 HydrophobicContact CG1-CD1 3.98Å; L165-I232 HydrophobicContact CD1-CD1 4.33Å; L165-I232 HydrophobicContact CD2-CG2 4Å; F206-I232 HydrophobicContact CB-CD1 4.4Å; F206-I232 HydrophobicContact CD1-CD1 4.39Å; F206-I232 HydrophobicContact CD1-CG2 4.11Å; F206-I232 HydrophobicContact CD2-CB 4.2Å; F206-I232 HydrophobicContact CD2-CG2 4.18Å; F206-I232 HydrophobicContact CE1-CG2 3.94Å; F206-I232 HydrophobicContact CE2-CB 4.42Å; F206-I232 HydrophobicContact CE2-CG2 4.03Å; F206-I232 HydrophobicContact CG-CB 4.35Å; F206-I232 HydrophobicContact CG-CD1 4.34Å; F206-I232 HydrophobicContact CG-CG2 4.24Å; F206-I232 HydrophobicContact CZ-CG2 3.93Å; C225-I232 VanDerWaalsContact SG-CD1 3.55Å; A229-I232 PolarHBondContact O-N 3.36Å; A229-I232 VanDerWaalsContact O-N 3.08Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 3.33Å; I232-T234 PolarHBondContact O-N 3.08Å; I232-S235 PolarHBondContact O-N 3.3Å; I232-S235 VanDerWaalsContact O-N 3.14Å; I232-L236 HydrophobicContact CG2-CD1 4.2Å; I232-L236 PolarHBondContact O-N 2.83Å |
| 233 | A | 94.3 | Very high | 92.6 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | W194 V196 A229 K230 H237 | W194-A233 PolarHBondContact NE1-O 2.74Å; V196-A233 HydrophobicContact CG2-CB 3.76Å; A229-A233 PolarHBondContact O-N 2.68Å; K230-A233 PolarHBondContact O-N 3.33Å; A233-H237 WeakPolarHBondContact O-CB 3.11Å; A233-H237 PolarHBondContact O-N 3.41Å |
| 234 | T | 93.1 | Very high | 92 | Very high | 74 Ų | 74 | 56.5 Ų | 56.5 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 172.4 | -60.2 | 0 | 0 | 0 | 0 | 111 | K230 I232 H237 E238 | K230-T234 WeakPolarHBondContact O-CB 3.37Å; K230-T234 PolarHBondContact O-N 3.04Å; K230-T234 PolarHBondContact O-OG1 3.48Å; K230-T234 VanDerWaalsContact O-OG1 3.06Å; I232-T234 PolarHBondContact O-N 3.08Å; T234-H237 CarbonylContact O-C 3.43Å; T234-H237 WeakPolarHBondContact O-CB 3.32Å; T234-H237 PolarHBondContact O-N 3.01Å; T234-H237 VanDerWaalsContact O-N 3.14Å; T234-E238 WeakPolarHBondContact O-CG 3.44Å; T234-E238 PolarHBondContact O-N 3.31Å |
| 235 | S | 94.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 178.6 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | K109 N231 I232 E238 I239 | K109-S235 VanDerWaalsContact CD-OG 3.3Å; K109-S235 WeakPolarHBondContact CD-OG 3.3Å; K109-S235 PolarHBondContact NZ-OG 2.94Å; K109-S235 VanDerWaalsContact NZ-OG 3.09Å; N231-S235 VanDerWaalsContact O-CB 3.27Å; N231-S235 WeakPolarHBondContact O-CB 3.41Å; N231-S235 PolarHBondContact O-N 3Å; N231-S235 VanDerWaalsContact O-N 3.12Å; N231-S235 PolarHBondContact O-OG 2.89Å; I232-S235 PolarHBondContact O-N 3.3Å; I232-S235 VanDerWaalsContact O-N 3.14Å; S235-E238 PolarHBondContact O-N 3.4Å; S235-I239 VanDerWaalsContact O-CG1 3.31Å; S235-I239 WeakPolarHBondContact O-CG1 3.38Å; S235-I239 PolarHBondContact O-N 2.91Å |
| 236 | L | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 169.3 | -76.1 | 171.7 | 0 | 0 | 0 | 111.7 | L167 I188 I191 W194 F206 I232 I239 C240 | L167-L236 HydrophobicContact CD1-CD2 4.07Å; L167-L236 HydrophobicContact CD1-CG 4Å; L167-L236 HydrophobicContact CD2-CD2 3.64Å; L167-L236 HydrophobicContact CD2-CG 4.25Å; I188-L236 HydrophobicContact CD1-CD2 3.75Å; I188-L236 HydrophobicContact CG1-CD2 3.82Å; I188-L236 HydrophobicContact CG2-CD2 4.08Å; I191-L236 HydrophobicContact CD1-CD2 4.49Å; W194-L236 HydrophobicContact CD2-CB 4.4Å; W194-L236 HydrophobicContact CD2-CD1 4.4Å; W194-L236 HydrophobicContact CG-CD1 4.23Å; W194-L236 HydrophobicContact CZ2-CB 4.21Å; F206-L236 HydrophobicContact CE1-CD1 4.36Å; F206-L236 HydrophobicContact CE2-CD1 3.95Å; F206-L236 HydrophobicContact CZ-CD1 3.41Å; F206-L236 VanDerWaalsContact CZ-CD1 3.41Å; I232-L236 HydrophobicContact CG2-CD1 4.2Å; I232-L236 PolarHBondContact O-N 2.83Å; L236-I239 PolarHBondContact O-N 3.5Å; L236-C240 VanDerWaalsContact O-CB 3.29Å; L236-C240 WeakPolarHBondContact O-CB 3.26Å; L236-C240 PolarHBondContact O-N 3.1Å; L236-C240 PolarHBondContact O-SG 3.35Å |
| 237 | H | 92 | Very high | 89.2 | Confident | 111 Ų | 111 | 56.4 Ų | 56.4 | 51% | 0.514 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.2 | -175.4 | 80.4 | 0 | 0 | 0 | 112.3 | W194 A233 T234 C240 S241 | W194-H237 HydrophobicContact CZ2-CB 4.21Å; A233-H237 WeakPolarHBondContact O-CB 3.11Å; A233-H237 PolarHBondContact O-N 3.41Å; T234-H237 CarbonylContact O-C 3.43Å; T234-H237 WeakPolarHBondContact O-CB 3.32Å; T234-H237 PolarHBondContact O-N 3.01Å; T234-H237 VanDerWaalsContact O-N 3.14Å; H237-C240 PolarHBondContact O-N 3.44Å; H237-S241 WeakPolarHBondContact O-CB 3.48Å; H237-S241 PolarHBondContact O-N 2.99Å |
| 238 | E | 91.8 | Very high | 88 | Confident | 96 Ų | 96 | 63 Ų | 63 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 172.6 | -75 | 168.8 | -132.4 | 0 | 0 | 111.6 | K109 T234 S235 S241 K242 | K109-E238 VanDerWaalsContact NZ-CD 3.27Å; K109-E238 IonicContact NZ-OE1 3.29Å; K109-E238 PolarHBondContact NZ-OE1 3.2Å; K109-E238 IonicContact NZ-OE2 3.04Å; K109-E238 PolarHBondContact NZ-OE2 3.24Å; T234-E238 WeakPolarHBondContact O-CG 3.44Å; T234-E238 PolarHBondContact O-N 3.31Å; S235-E238 PolarHBondContact O-N 3.4Å; E238-S241 PolarHBondContact O-N 3.35Å; E238-K242 WeakPolarHBondContact O-CB 3.26Å; E238-K242 PolarHBondContact O-N 2.99Å |
| 239 | I | 92.1 | Very high | 86 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 179 | -66.3 | 164.2 | 0 | 0 | 0 | 110.7 | L167 I188 S235 L236 S241 K242 I243 | L167-I239 HydrophobicContact CB-CD1 3.67Å; L167-I239 HydrophobicContact CD1-CD1 4.09Å; L167-I239 HydrophobicContact CG-CD1 4.45Å; I188-I239 HydrophobicContact CD1-CB 4.33Å; I188-I239 HydrophobicContact CD1-CD1 4.13Å; I188-I239 HydrophobicContact CD1-CG2 3.69Å; S235-I239 VanDerWaalsContact O-CG1 3.31Å; S235-I239 WeakPolarHBondContact O-CG1 3.38Å; S235-I239 PolarHBondContact O-N 2.91Å; L236-I239 PolarHBondContact O-N 3.5Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.32Å; I239-K242 WeakPolarHBondContact O-CB 3.23Å; I239-K242 PolarHBondContact O-N 3.12Å; I239-I243 HydrophobicContact CG2-CD1 3.75Å; I239-I243 HydrophobicContact CG2-CG1 4.32Å; I239-I243 WeakPolarHBondContact O-CB 3.42Å; I239-I243 WeakPolarHBondContact O-CD1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.41Å; I239-I243 PolarHBondContact O-N 2.79Å |
| 240 | C | 88.4 | Confident | 84 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 172.6 | -74.9 | 0 | 0 | 0 | 0 | 112.4 | I188 W194 L236 H237 I243 M244 | I188-C240 WeakPolarHBondContact CG2-SG 3.44Å; W194-C240 HydrophobicContact CH2-CB 4.12Å; W194-C240 VanDerWaalsContact CH2-SG 3.5Å; L236-C240 VanDerWaalsContact O-CB 3.29Å; L236-C240 WeakPolarHBondContact O-CB 3.26Å; L236-C240 PolarHBondContact O-N 3.1Å; L236-C240 PolarHBondContact O-SG 3.35Å; H237-C240 PolarHBondContact O-N 3.44Å; C240-I243 PolarHBondContact O-N 3.43Å; C240-M244 HydrophobicContact CB-CE 4.48Å; C240-M244 WeakPolarHBondContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CE 3.48Å; C240-M244 VanDerWaalsContact O-CG 3.28Å; C240-M244 WeakPolarHBondContact O-CG 3.47Å; C240-M244 PolarHBondContact O-N 2.85Å |
| 241 | S | 89.5 | Confident | 81.6 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 175.5 | -170 | 0 | 0 | 0 | 0 | 111.7 | H237 E238 I239 M244 S245 | H237-S241 WeakPolarHBondContact O-CB 3.48Å; H237-S241 PolarHBondContact O-N 2.99Å; E238-S241 PolarHBondContact O-N 3.35Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.32Å; S241-M244 PolarHBondContact O-N 2.88Å; S241-S245 VanDerWaalsContact O-CB 3.31Å; S241-S245 WeakPolarHBondContact O-CB 3.47Å; S241-S245 PolarHBondContact O-N 2.8Å; S241-S245 PolarHBondContact O-OG 2.93Å; S241-S245 VanDerWaalsContact O-OG 3.09Å |
| 242 | K | 88.2 | Confident | 79.1 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 50% | 0.504 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.9 | -53.7 | 170.8 | -175.3 | -176.5 | 170.8 | -170.6 | 0 | 110.4 | E238 I239 M244 S245 E246 | E238-K242 WeakPolarHBondContact O-CB 3.26Å; E238-K242 PolarHBondContact O-N 2.99Å; I239-K242 WeakPolarHBondContact O-CB 3.23Å; I239-K242 PolarHBondContact O-N 3.12Å; K242-M244 VanDerWaalsContact C-N 3.31Å; K242-M244 PolarHBondContact O-N 3.35Å; K242-S245 WeakPolarHBondContact CA-OG 3.2Å; K242-S245 CarbonylContact O-C 3.47Å; K242-S245 PolarHBondContact O-N 2.88Å; K242-S245 PolarHBondContact O-OG 3.1Å; K242-E246 WeakPolarHBondContact CE-OE1 3.4Å; K242-E246 WeakPolarHBondContact CE-OE2 3.44Å; K242-E246 HydrophobicContact CG-CG 4.25Å; K242-E246 IonicContact NZ-OE1 2.95Å; K242-E246 IonicContact NZ-OE2 2.66Å; K242-E246 PolarHBondContact O-N 3.13Å |
| 243 | I | 85.7 | Confident | 76.6 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 4% | 0.041 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.4 | -46.8 | 176 | -68.5 | 164.1 | 0 | 0 | 0 | 111.3 | E170 I188 V189 I239 C240 S245 R247 | E170-I243 HydrophobicContact CB-CD1 4.01Å; E170-I243 HydrophobicContact CB-CG1 4.49Å; E170-I243 VanDerWaalsContact CD-CG1 3.48Å; E170-I243 HydrophobicContact CG-CD1 3.92Å; E170-I243 HydrophobicContact CG-CG1 3.85Å; I188-I243 HydrophobicContact CG2-CD1 4.44Å; V189-I243 HydrophobicContact CG1-CD1 3.94Å; V189-I243 HydrophobicContact CG1-CG2 4.1Å; I239-I243 HydrophobicContact CG2-CD1 3.75Å; I239-I243 HydrophobicContact CG2-CG1 4.32Å; I239-I243 WeakPolarHBondContact O-CB 3.42Å; I239-I243 WeakPolarHBondContact O-CD1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.41Å; I239-I243 PolarHBondContact O-N 2.79Å; C240-I243 PolarHBondContact O-N 3.43Å; I243-S245 PolarHBondContact O-N 2.82Å; I243-R247 WeakPolarHBondContact O-CB 3.36Å; I243-R247 WeakPolarHBondContact O-CD 3.48Å; I243-R247 WeakPolarHBondContact O-CG 3.44Å; I243-R247 PolarHBondContact O-N 3.34Å |
| 244 | M | 82.9 | Confident | 74 | Confident | 118 Ų | 118 | 80.7 Ų | 80.7 | 58% | 0.581 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.8 | -34.4 | 178.1 | -73.7 | -174.2 | -70 | 0 | 0 | 112.9 | C240 S241 K242 R248 | C240-M244 HydrophobicContact CB-CE 4.48Å; C240-M244 WeakPolarHBondContact O-CB 3.23Å; C240-M244 WeakPolarHBondContact O-CE 3.48Å; C240-M244 VanDerWaalsContact O-CG 3.28Å; C240-M244 WeakPolarHBondContact O-CG 3.47Å; C240-M244 PolarHBondContact O-N 2.85Å; S241-M244 PolarHBondContact O-N 2.88Å; K242-M244 VanDerWaalsContact C-N 3.31Å; K242-M244 PolarHBondContact O-N 3.35Å; M244-R248 WeakPolarHBondContact O-CB 3.24Å; M244-R248 PolarHBondContact O-N 3.4Å; M244-R248 VanDerWaalsContact O-N 3.16Å |
| 245 | S | 78.3 | Confident | 71.4 | Confident | 47 Ų | 47 | 83.8 Ų | 83.8 | 33% | 0.329 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -81 | -36.5 | 179.5 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | S241 K242 I243 R248 N249 | S241-S245 VanDerWaalsContact O-CB 3.31Å; S241-S245 WeakPolarHBondContact O-CB 3.47Å; S241-S245 PolarHBondContact O-N 2.8Å; S241-S245 PolarHBondContact O-OG 2.93Å; S241-S245 VanDerWaalsContact O-OG 3.09Å; K242-S245 WeakPolarHBondContact CA-OG 3.2Å; K242-S245 CarbonylContact O-C 3.47Å; K242-S245 PolarHBondContact O-N 2.88Å; K242-S245 PolarHBondContact O-OG 3.1Å; I243-S245 PolarHBondContact O-N 2.82Å; S245-R248 CarbonylContact O-C 3.44Å; S245-R248 WeakPolarHBondContact O-CA 3.45Å; S245-R248 VanDerWaalsContact O-CB 3.3Å; S245-R248 WeakPolarHBondContact O-CB 3.24Å; S245-R248 PolarHBondContact O-N 2.95Å; S245-N249 WeakPolarHBondContact O-CB 3.44Å; S245-N249 PolarHBondContact O-N 3.1Å; S245-N249 PolarHBondContact O-OD1 3.22Å |
| 246 | E | 76.6 | Confident | 68.6 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 39% | 0.393 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 172.8 | -72.3 | 178.3 | 152 | 0 | 0 | 110.9 | K242 R248 N249 A250 | K242-E246 WeakPolarHBondContact CE-OE1 3.4Å; K242-E246 WeakPolarHBondContact CE-OE2 3.44Å; K242-E246 HydrophobicContact CG-CG 4.25Å; K242-E246 IonicContact NZ-OE1 2.95Å; K242-E246 IonicContact NZ-OE2 2.66Å; K242-E246 PolarHBondContact O-N 3.13Å; E246-R248 PolarHBondContact O-N 2.97Å; E246-R248 VanDerWaalsContact O-N 3.16Å; E246-N249 PolarHBondContact O-N 3.04Å; E246-N249 VanDerWaalsContact O-N 3.15Å; E246-A250 VanDerWaalsContact O-CB 3.28Å; E246-A250 WeakPolarHBondContact O-CB 3.22Å; E246-A250 PolarHBondContact O-N 3.42Å |
| 247 | R | 69.8 | Low | 65.8 | Low | 116 Ų | 116 | 94.4 Ų | 94.4 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -23.7 | 165.7 | -71.5 | 171.7 | -175 | -167.1 | 1.2 | 112.5 | V189 I243 R251 | V189-R247 VanDerWaalsContact CG1-NH2 3.3Å; I243-R247 WeakPolarHBondContact O-CB 3.36Å; I243-R247 WeakPolarHBondContact O-CD 3.48Å; I243-R247 WeakPolarHBondContact O-CG 3.44Å; I243-R247 PolarHBondContact O-N 3.34Å; R247-R251 PolarHBondContact O-NE 2.73Å; R247-R251 PolarHBondContact O-NH2 2.92Å; R247-R251 VanDerWaalsContact O-NH2 3.14Å |
| 248 | R | 65.4 | Low | 63.5 | Low | 172 Ų | 172 | 94.8 Ų | 94.8 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -85.5 | -33.3 | 174.7 | -178.4 | -179.4 | 178.5 | 169.6 | -0.2 | 112.6 | M244 S245 E246 R251 | M244-R248 WeakPolarHBondContact O-CB 3.24Å; M244-R248 PolarHBondContact O-N 3.4Å; M244-R248 VanDerWaalsContact O-N 3.16Å; S245-R248 CarbonylContact O-C 3.44Å; S245-R248 WeakPolarHBondContact O-CA 3.45Å; S245-R248 VanDerWaalsContact O-CB 3.3Å; S245-R248 WeakPolarHBondContact O-CB 3.24Å; S245-R248 PolarHBondContact O-N 2.95Å; E246-R248 PolarHBondContact O-N 2.97Å; E246-R248 VanDerWaalsContact O-N 3.16Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å |
| 249 | N | 52 | Low | 60.7 | Low | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -85.6 | -35 | -176.8 | -64.9 | -7.7 | 0 | 0 | 0 | 112 | S245 E246 R251 C252 L253 | S245-N249 WeakPolarHBondContact O-CB 3.44Å; S245-N249 PolarHBondContact O-N 3.1Å; S245-N249 PolarHBondContact O-OD1 3.22Å; E246-N249 PolarHBondContact O-N 3.04Å; E246-N249 VanDerWaalsContact O-N 3.15Å; N249-R251 PolarHBondContact O-N 2.76Å; N249-C252 WeakPolarHBondContact O-CA 3.3Å; N249-C252 VanDerWaalsContact O-CB 3.25Å; N249-C252 WeakPolarHBondContact O-CB 3.49Å; N249-C252 PolarHBondContact O-N 2.84Å; N249-L253 PolarHBondContact O-N 2.91Å |
| 250 | A | 52 | Low | 57.9 | Low | 63 Ų | 63 | 103.9 Ų | 103.9 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.9 | -31.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | E246 C252 | E246-A250 VanDerWaalsContact O-CB 3.28Å; E246-A250 WeakPolarHBondContact O-CB 3.22Å; E246-A250 PolarHBondContact O-N 3.42Å; A250-C252 PolarHBondContact O-N 3.23Å |
| 251 | R | 44.4 | Very low | 55.6 | Low | 87 Ų | 87 | 111.8 Ų | 111.8 | 33% | 0.328 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.2 | -12.4 | 169.6 | -90.8 | -179.8 | -75.4 | 165.6 | -4.2 | 114.1 | R247 R248 N249 F273 | R247-R251 PolarHBondContact O-NE 2.73Å; R247-R251 PolarHBondContact O-NH2 2.92Å; R247-R251 VanDerWaalsContact O-NH2 3.14Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å; N249-R251 PolarHBondContact O-N 2.76Å; R251-F273 VanDerWaalsContact NH1-CE1 3.31Å |
| 252 | C | 39.8 | Very low | 53.1 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 68% | 0.676 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -97.4 | -38.2 | -178.9 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | N249 A250 V254 | N249-C252 WeakPolarHBondContact O-CA 3.3Å; N249-C252 VanDerWaalsContact O-CB 3.25Å; N249-C252 WeakPolarHBondContact O-CB 3.49Å; N249-C252 PolarHBondContact O-N 2.84Å; A250-C252 PolarHBondContact O-N 3.23Å; C252-V254 VanDerWaalsContact C-N 3.3Å; C252-V254 PolarHBondContact O-N 2.78Å |
| 253 | L | 43.2 | Very low | 50.5 | Low | 161 Ų | 161 | 117.8 Ų | 117.8 | 84% | 0.843 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.7 | -21.8 | -175.1 | -152.5 | 75.5 | 0 | 0 | 0 | 114.1 | N249 | N249-L253 PolarHBondContact O-N 2.91Å |
| 254 | V | 39.8 | Very low | 48.2 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -17 | -173.4 | 177.2 | 0 | 0 | 0 | 0 | 113.4 | C252 G256 | C252-V254 VanDerWaalsContact C-N 3.3Å; C252-V254 PolarHBondContact O-N 2.78Å; V254-G256 PolarHBondContact O-N 2.94Å |
| 255 | N | 38.5 | Very low | 45.8 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 10.6 | -172.4 | -69.9 | 16.5 | 0 | 0 | 0 | 114.4 | L257 | N255-L257 PolarHBondContact O-N 3.07Š|
| 256 | G | 36.8 | Very low | 43.5 | Very low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | trans | -86.9 | 74.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | V254 | V254-G256 PolarHBondContact O-N 2.94Š| ||
| 257 | L | 33.8 | Very low | 41.4 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 88% | 0.88 | 72% | 0.72 | S | S | * | * | trans | -134.5 | 93.7 | 163.1 | -78.2 | -178.8 | 0 | 0 | 0 | 113.3 | N255 | N255-L257 PolarHBondContact O-N 3.07Š| ||
| 258 | S | 44.2 | Very low | 40.3 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | 12.1 | 117.1 | 148.6 | -177.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 259 | L | 34.1 | Very low | 38.5 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | -142.1 | 160.7 | 145.8 | -161 | 57.9 | 0 | 0 | 0 | 110.5 | ||||
| 260 | D | 32.9 | Very low | 37.8 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -77.3 | 150.8 | -151.2 | -152.7 | -7.4 | 0 | 0 | 0 | 116.6 | S262 | D260-S262 PolarHBondContact O-N 2.82Š| ||
| 261 | H | 40 | Very low | 36.9 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -101.3 | 71.4 | -167.5 | -105.3 | -67.4 | 0 | 0 | 0 | 113.1 | ||||
| 262 | S | 37.5 | Very low | 36.4 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | trans | -150.1 | 64.8 | 174.9 | 72.8 | 0 | 0 | 0 | 0 | 117.2 | D260 | D260-S262 PolarHBondContact O-N 2.82Š| ||
| 263 | K | 33.4 | Very low | 36 | Very low | 211 Ų | 211 | 143.6 Ų | 143.6 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -174.6 | 144.5 | 137.3 | -97.5 | 143.5 | -165.1 | 171.2 | 0 | 113.3 | ||||
| 264 | L | 37.2 | Very low | 35.8 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -72.5 | 158.7 | 170.5 | -123.3 | 64.6 | 0 | 0 | 0 | 109.8 | ||||
| 265 | V | 33.2 | Very low | 35.7 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | cis | -145.2 | 164.8 | 12.9 | -162.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 266 | D | 29.1 | Very low | 35.6 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 92.6 | 136.8 | 148.3 | -144.1 | 17.7 | 0 | 0 | 0 | 120.1 | ||||
| 267 | V | 32.4 | Very low | 36 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -164.2 | 148.7 | -161.8 | 171.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 268 | P | 45.8 | Very low | 36.5 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | cis | -125.9 | 151.6 | -3.2 | 33.7 | -17.6 | 0 | 0 | 0 | 114.8 | ||||
| 269 | F | 29.4 | Very low | 36.9 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 90% | 0.899 | 74% | 0.737 | S | S | * | * | trans | -167.5 | 84.3 | 143 | -109.7 | -63.9 | 0 | 0 | 0 | 114 | ||||
| 270 | Q | 36 | Very low | 38.1 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -168.7 | 116.6 | 151.3 | -111.6 | 151.8 | 79.7 | 0 | 0 | 110.5 | ||||
| 271 | V | 34.2 | Very low | 40.2 | Very low | 112 Ų | 112 | 134 Ų | 134 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | trans | -136 | 89.2 | 168.8 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | F273 | V271-F273 HydrophobicContact CB-CD2 4.43Å; V271-F273 HydrophobicContact CB-CE2 4.45Å; V271-F273 HydrophobicContact CG1-CD2 3.59Å; V271-F273 HydrophobicContact CG1-CE2 3.54Å; V271-F273 HydrophobicContact CG1-CG 4.13Å; V271-F273 HydrophobicContact CG1-CZ 4.03Å; V271-F273 PolarHBondContact O-N 3.27Å | ||
| 272 | E | 34.2 | Very low | 42.5 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | trans | -72.5 | 105.6 | 168.2 | -164.1 | 85.9 | -96.5 | 0 | 0 | 107.1 | P274 R346 | E272-P274 WeakPolarHBondContact O-CD 3.48Å; E272-R346 IonicContact OE1-CZ 3.78Å; E272-R346 IonicContact OE1-NH2 3.97Å; E272-R346 PolarHBondContact OE1-NH2 2.65Å; E272-R346 IonicContact OE2-NH2 3.66Å; E272-R346 PolarHBondContact OE2-NH2 3.38Å | ||
| 273 | F | 29.8 | Very low | 45.2 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 53% | 0.531 | 68% | 0.68 | S | S | . | * | trans | -93.9 | 115.9 | -178 | -98 | -67.5 | 0 | 0 | 0 | 111.2 | R251 V271 A275 | R251-F273 VanDerWaalsContact NH1-CE1 3.31Å; V271-F273 HydrophobicContact CB-CD2 4.43Å; V271-F273 HydrophobicContact CB-CE2 4.45Å; V271-F273 HydrophobicContact CG1-CD2 3.59Å; V271-F273 HydrophobicContact CG1-CE2 3.54Å; V271-F273 HydrophobicContact CG1-CG 4.13Å; V271-F273 HydrophobicContact CG1-CZ 4.03Å; V271-F273 PolarHBondContact O-N 3.27Å; F273-A275 PolarHBondContact O-N 3.39Å; F273-A275 VanDerWaalsContact O-N 3.12Å | ||
| 274 | P | 38.7 | Very low | 48.1 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | trans | -70.2 | 106 | 160.4 | -13.7 | 30 | 0 | 0 | 0 | 108.7 | E272 | E272-P274 WeakPolarHBondContact O-CD 3.48Š| ||
| 275 | A | 38.6 | Very low | 50.8 | Low | 73 Ų | 73 | 120.3 Ų | 120.3 | 60% | 0.603 | 63% | 0.632 | S | S | * | * | trans | -82.8 | 147 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F273 K277 | F273-A275 PolarHBondContact O-N 3.39Å; F273-A275 VanDerWaalsContact O-N 3.12Å; A275-K277 PolarHBondContact O-N 3.48Å | ||
| 276 | P | 36.9 | Very low | 53.9 | Low | 85 Ų | 85 | 114.6 Ų | 114.6 | 55% | 0.552 | 60% | 0.597 | S | S | * | * | trans | -62.4 | 128.1 | 175.6 | -22.5 | 34.1 | 0 | 0 | 0 | 112 | N278 | P276-N278 PolarHBondContact O-N 3.31Š| ||
| 277 | K | 45.6 | Very low | 57.1 | Low | 169 Ų | 169 | 111.6 Ų | 111.6 | 74% | 0.735 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -74.9 | 89.9 | -175.2 | -63.1 | 177.5 | -177.1 | 177.3 | 0 | 111.8 | A275 | A275-K277 PolarHBondContact O-N 3.48Š|
| 278 | N | 42.7 | Very low | 60.1 | Low | 152 Ų | 152 | 106.4 Ų | 106.4 | 81% | 0.813 | 54% | 0.543 | S | S | * | . | trans | -128.8 | 35.1 | 152.9 | -164.1 | 28.1 | 0 | 0 | 0 | 111.1 | P276 | P276-N278 PolarHBondContact O-N 3.31Š| ||
| 279 | E | 53.8 | Low | 62.5 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -81.6 | 156 | 153 | -60.3 | -168 | 120.5 | 0 | 0 | 108 | V281 P328 | E279-V281 HydrophobicContact CB-CG2 4.12Å; E279-V281 PolarHBondContact O-N 2.96Å; E279-P328 HydrophobicContact CB-CG 4.24Å |
| 280 | L | 59.6 | Low | 65.5 | Low | 156 Ų | 156 | 93.7 Ų | 93.7 | 82% | 0.817 | 48% | 0.483 | S | S | * | . | trans | -73.2 | 72.1 | 174.4 | -72.4 | 167.1 | 0 | 0 | 0 | 110.4 | Q282 | L280-Q282 PolarHBondContact O-N 3.18Š| ||
| 281 | V | 77.2 | Confident | 68.3 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 27% | 0.267 | 46% | 0.461 | S | S | . | . | trans | -77.9 | 103.9 | -178.8 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | E279 S325 V326 A327 | E279-V281 HydrophobicContact CB-CG2 4.12Å; E279-V281 PolarHBondContact O-N 2.96Å; V281-S325 WeakPolarHBondContact CG1-OG 3.44Å; V281-V326 WeakPolarHBondContact CA-O 3.38Å; V281-A327 HydrophobicContact CG2-CB 4.03Å | ||
| 282 | Q | 87.9 | Confident | 71.1 | Confident | 96 Ų | 96 | 84.9 Ų | 84.9 | 45% | 0.449 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.4 | 178 | -63.3 | -179.6 | 73 | 0 | 0 | 109.6 | L280 F284 V326 | L280-Q282 PolarHBondContact O-N 3.18Å; Q282-F284 HydrophobicContact CB-CD2 4.39Å; Q282-F284 HydrophobicContact CB-CE2 3.46Å; Q282-F284 VanDerWaalsContact CB-CE2 3.46Å; Q282-F284 HydrophobicContact CB-CZ 3.73Å; Q282-V326 PolarHBondContact N-O 3.43Å; Q282-V326 PolarHBondContact O-N 3.09Å |
| 283 | K | 92.8 | Very high | 74 | Confident | 103 Ų | 103 | 83.6 Ų | 83.6 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.2 | 173.2 | -83.5 | -165.9 | 170.7 | -169.8 | 0 | 110.2 | V324 E339 | K283-V324 WeakPolarHBondContact CA-O 3.49Å; K283-E339 IonicContact NZ-OE1 3.52Å; K283-E339 PolarHBondContact NZ-OE1 2.91Å; K283-E339 IonicContact NZ-OE2 2.76Å; K283-E339 PolarHBondContact NZ-OE2 3.08Å |
| 284 | F | 94.3 | Very high | 77.1 | Confident | 32 Ų | 32 | 78.9 Ų | 78.9 | 14% | 0.14 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136 | 176.2 | -61.3 | -83.4 | 0 | 0 | 0 | 111 | Q282 H323 V324 V326 L387 A390 | Q282-F284 HydrophobicContact CB-CD2 4.39Å; Q282-F284 HydrophobicContact CB-CE2 3.46Å; Q282-F284 VanDerWaalsContact CB-CE2 3.46Å; Q282-F284 HydrophobicContact CB-CZ 3.73Å; F284-H323 CarbonylContact O-C 3.58Å; F284-H323 VanDerWaalsContact O-CA 3.25Å; F284-H323 WeakPolarHBondContact O-CA 3.12Å; F284-V324 PolarHBondContact N-O 3.31Å; F284-V324 PolarHBondContact O-N 3.36Å; F284-V326 HydrophobicContact CD2-CG2 3.84Å; F284-V326 HydrophobicContact CE2-CB 4.26Å; F284-V326 HydrophobicContact CE2-CG2 3.74Å; F284-L387 HydrophobicContact CB-CB 4.3Å; F284-L387 HydrophobicContact CB-CD1 4.18Å; F284-L387 HydrophobicContact CD1-CB 4.26Å; F284-L387 HydrophobicContact CD2-CB 4.39Å; F284-L387 HydrophobicContact CD2-CD1 3.58Å; F284-L387 HydrophobicContact CE2-CD1 4.23Å; F284-L387 HydrophobicContact CG-CB 4.04Å; F284-L387 HydrophobicContact CG-CD1 3.96Å; F284-A390 HydrophobicContact CE2-CB 3.45Å; F284-A390 VanDerWaalsContact CE2-CB 3.45Å; F284-A390 HydrophobicContact CZ-CB 3.4Å; F284-A390 VanDerWaalsContact CZ-CB 3.4Å |
| 285 | Q | 95.7 | Very high | 79.6 | Confident | 133 Ų | 133 | 78.3 Ų | 78.3 | 62% | 0.621 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.1 | 175.2 | -51.2 | -160.1 | -41.5 | 0 | 0 | 110 | H323 | Q285-H323 VanDerWaalsContact CG-CE1 3.47Å; Q285-H323 WeakPolarHBondContact CG-CE1 3.38Å; Q285-H323 PolarHBondContact NE2-CE1 2.88Å; Q285-H323 VanDerWaalsContact NE2-CE1 3.3Å |
| 286 | V | 96.3 | Very high | 82.1 | Confident | 7 Ų | 7 | 81.1 Ų | 81.1 | 4% | 0.042 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 166.4 | -175.9 | -63.3 | 0 | 0 | 0 | 0 | 110.5 | S322 V324 F378 W379 C380 L387 | V286-S322 PolarHBondContact N-O 2.86Å; V286-S322 CarbonylContact O-C 3.58Å; V286-S322 WeakPolarHBondContact O-CA 3.34Å; V286-S322 PolarHBondContact O-N 2.87Å; V286-V324 HydrophobicContact CG2-CG2 3.72Å; V286-F378 HydrophobicContact CG2-CD1 3.99Å; V286-W379 CarbonylContact C-O 3.57Å; V286-W379 WeakPolarHBondContact CA-O 3.37Å; V286-W379 WeakPolarHBondContact CB-O 3.34Å; V286-C380 HydrophobicContact CG1-CB 4.27Å; V286-C380 VanDerWaalsContact CG1-SG 3.52Å; V286-L387 HydrophobicContact CG1-CD2 3.85Å |
| 287 | Y | 96.4 | Very high | 84.5 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 34% | 0.337 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128 | 160.4 | -59.3 | -99.3 | 0 | 0 | 0 | 108.4 | W319 T320 P321 F378 W379 | Y287-W319 HydrophobicContact CD1-CB 4.35Å; Y287-W319 HydrophobicContact CG-CB 4.45Å; Y287-T320 WeakPolarHBondContact CA-O 3.34Å; Y287-P321 HydrophobicContact CD1-CB 4.38Å; Y287-P321 HydrophobicContact CD1-CG 4.23Å; Y287-P321 HydrophobicContact CE1-CB 4.27Å; Y287-P321 HydrophobicContact CE1-CG 4.09Å; Y287-F378 CarbonylContact O-C 3.52Å; Y287-F378 WeakPolarHBondContact O-CA 3.21Å; Y287-W379 PolarHBondContact N-O 2.99Å; Y287-W379 PolarHBondContact O-N 3.03Å |
| 288 | Y | 96.3 | Very high | 86.6 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 6% | 0.063 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.7 | 173.5 | -178.2 | -137.5 | 0 | 0 | 0 | 108.8 | G290 N291 T320 S322 I333 L342 H376 M377 F378 | Y288-G290 VanDerWaalsContact C-N 3.3Å; Y288-G290 WeakPolarHBondContact CE2-O 3.41Å; Y288-N291 PolarHBondContact OH-ND2 2.99Å; Y288-N291 VanDerWaalsContact OH-ND2 3.09Å; Y288-T320 PolarHBondContact N-O 3.42Å; Y288-T320 PolarHBondContact O-N 3.22Å; Y288-S322 VanDerWaalsContact CB-OG 3.31Å; Y288-S322 WeakPolarHBondContact CB-OG 3.38Å; Y288-I333 HydrophobicContact CD1-CG2 4.16Å; Y288-I333 HydrophobicContact CD2-CD1 4.25Å; Y288-I333 HydrophobicContact CD2-CG2 4.27Å; Y288-I333 HydrophobicContact CE1-CD1 4.46Å; Y288-I333 HydrophobicContact CE1-CG2 4.48Å; Y288-I333 HydrophobicContact CE2-CD1 3.68Å; Y288-I333 HydrophobicContact CG-CG2 4.02Å; Y288-L342 HydrophobicContact CD1-CB 4.24Å; Y288-L342 HydrophobicContact CD1-CD1 4.1Å; Y288-L342 HydrophobicContact CE1-CB 4.18Å; Y288-H376 HydrophobicContact CE2-CB 4.41Å; Y288-H376 AromaticContact CZ-ND1 3.9Å; Y288-H376 PolarHBondContact OH-ND1 3.03Å; Y288-M377 VanDerWaalsContact CD2-O 3.3Å; Y288-M377 WeakPolarHBondContact CD2-O 3.25Å; Y288-F378 AromaticContact CD2-CD1 3.81Å; Y288-F378 HydrophobicContact CD2-CD1 3.81Å; Y288-F378 AromaticContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CZ 4.13Å; Y288-F378 AromaticContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CZ 4.16Å; Y288-F378 HydrophobicContact CG-CE1 4.41Å |
| 289 | L | 95.2 | Very high | 88.7 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.094 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -3.6 | 179.7 | -55.1 | 176.9 | 0 | 0 | 0 | 111.6 | L307 V310 L311 W319 M377 W379 | L289-L307 HydrophobicContact CD1-CD2 4.07Å; L289-V310 HydrophobicContact CB-CG1 4.07Å; L289-L311 HydrophobicContact CD1-CD2 4.21Å; L289-W319 HydrophobicContact CD2-CB 4.02Å; L289-W319 HydrophobicContact CD2-CD2 3.3Å; L289-W319 HydrophobicContact CD2-CE3 3.73Å; L289-W319 HydrophobicContact CD2-CG 3.44Å; L289-W319 VanDerWaalsContact CD2-CG 3.44Å; L289-W319 HydrophobicContact CD2-CZ2 4.28Å; L289-W319 HydrophobicContact CD2-CZ3 4.37Å; L289-M377 HydrophobicContact CB-CB 3.9Å; L289-M377 WeakPolarHBondContact CB-O 3.4Å; L289-M377 HydrophobicContact CD1-CB 4.2Å; L289-M377 PolarHBondContact N-O 2.91Å; L289-W379 HydrophobicContact CD1-CB 4.48Å; L289-W379 HydrophobicContact CD2-CB 4.23Å |
| 290 | G | 93.2 | Very high | 90.5 | Very high | 20 Ų | 20 | 67 Ų | 67 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.4 | -159.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y288 M377 | Y288-G290 VanDerWaalsContact C-N 3.3Å; Y288-G290 WeakPolarHBondContact CE2-O 3.41Å; G290-M377 PolarHBondContact O-N 2.83Å |
| 291 | N | 94 | Very high | 91.9 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 43% | 0.428 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 153 | 178.7 | 66.3 | 88.1 | 0 | 0 | 0 | 111.6 | Y288 C374 C375 H376 | Y288-N291 PolarHBondContact OH-ND2 2.99Å; Y288-N291 VanDerWaalsContact OH-ND2 3.09Å; N291-C374 PolarHBondContact OD1-SG 3.45Å; N291-C375 CarbonylContact C-O 3.55Å; N291-C375 WeakPolarHBondContact CA-O 3.31Å; N291-C375 WeakPolarHBondContact CB-O 3.42Å; N291-H376 HydrophobicContact CB-CB 4.5Å |
| 292 | V | 94.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.6 | 178.8 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | V294 A306 V310 C374 C375 M377 | V292-V294 HydrophobicContact CG2-CG1 4.26Å; V292-A306 HydrophobicContact CG2-CB 3.69Å; V292-V310 HydrophobicContact CG1-CG2 4.36Å; V292-C374 WeakPolarHBondContact O-CA 3.35Å; V292-C375 HydrophobicContact CG2-CB 4.19Å; V292-C375 PolarHBondContact N-O 3.44Å; V292-C375 PolarHBondContact O-N 2.86Å; V292-M377 HydrophobicContact CB-CE 4.33Å; V292-M377 HydrophobicContact CG1-CE 3.93Å; V292-M377 HydrophobicContact CG2-CE 3.71Å |
| 293 | P | 94.6 | Very high | 93 | Very high | 116 Ų | 116 | 60.1 Ų | 60.1 | 75% | 0.753 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 141.8 | 171.7 | 29.5 | -34.7 | 0 | 0 | 0 | 110.7 | F373 | P293-F373 WeakPolarHBondContact CA-O 3.37Å |
| 294 | V | 95.4 | Very high | 93 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144 | 179.2 | -65 | 0 | 0 | 0 | 0 | 112 | V292 K296 V302 I365 F373 C375 | V292-V294 HydrophobicContact CG2-CG1 4.26Å; V294-K296 VanDerWaalsContact C-N 3.31Å; V294-K296 PolarHBondContact O-N 3.09Å; V294-V302 HydrophobicContact CB-CG1 3.72Å; V294-V302 HydrophobicContact CG1-CG1 3.95Å; V294-V302 HydrophobicContact CG2-CG1 4.2Å; V294-I365 HydrophobicContact CG2-CD1 4.11Å; V294-I365 HydrophobicContact CG2-CG1 4.23Å; V294-I365 HydrophobicContact CG2-CG2 3.71Å; V294-F373 HydrophobicContact CG2-CB 3.84Å; V294-F373 PolarHBondContact N-O 3.14Å; V294-C375 HydrophobicContact CG1-CB 3.66Å; V294-C375 HydrophobicContact CG2-CB 4.25Å |
| 295 | A | 89.7 | Confident | 93 | Very high | 100 Ų | 100 | 56 Ų | 56 | 83% | 0.826 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -79.4 | -5.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 296 | K | 91.4 | Very high | 93 | Very high | 131 Ų | 131 | 50.1 Ų | 50.1 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | trans | -137.9 | 145.4 | -177.7 | -66.5 | -178 | -179.4 | 178.4 | 0 | 110.6 | V294 V298 V302 | V294-K296 VanDerWaalsContact C-N 3.31Å; V294-K296 PolarHBondContact O-N 3.09Å; K296-V298 VanDerWaalsContact C-N 3.28Å; K296-V298 PolarHBondContact O-N 2.87Å; K296-V302 HydrophobicContact CB-CG2 4.22Å; K296-V302 HydrophobicContact CD-CG2 4.32Å | ||
| 297 | P | 87.8 | Confident | 92.9 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -72.5 | -20.6 | 175.7 | 28.1 | -33.5 | 0 | 0 | 0 | 113.5 | S351 F352 F373 | P297-S351 CarbonylContact O-C 3.56Å; P297-S351 WeakPolarHBondContact O-CB 3.35Å; P297-S351 PolarHBondContact O-OG 3.18Å; P297-F352 WeakPolarHBondContact O-CB 3.43Å; P297-F352 PolarHBondContact O-N 3.07Å; P297-F373 HydrophobicContact CB-CD1 3.87Å; P297-F373 HydrophobicContact CB-CE1 3.64Å; P297-F373 HydrophobicContact CB-CE2 4.36Å; P297-F373 HydrophobicContact CB-CG 4.35Å; P297-F373 HydrophobicContact CB-CZ 3.89Å; P297-F373 HydrophobicContact CG-CE1 4.32Å; P297-F373 HydrophobicContact CG-CE2 4.41Å; P297-F373 HydrophobicContact CG-CZ 4.08Å |
| 298 | V | 90.3 | Very high | 92.7 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | trans | -139.2 | 152.2 | -172.1 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | K296 F352 | K296-V298 VanDerWaalsContact C-N 3.28Å; K296-V298 PolarHBondContact O-N 2.87Å; V298-F352 HydrophobicContact CB-CB 4.18Å; V298-F352 HydrophobicContact CB-CD2 4.13Å; V298-F352 HydrophobicContact CB-CG 4.21Å; V298-F352 HydrophobicContact CG1-CB 4.07Å; V298-F352 HydrophobicContact CG1-CD2 4.25Å; V298-F352 HydrophobicContact CG1-CG 4.45Å | ||
| 299 | G | 87.4 | Confident | 92.5 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | trans | 134.9 | 128.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D301 V302 I303 F352 | G299-D301 VanDerWaalsContact C-N 3.28Å; G299-D301 PolarHBondContact O-N 3.43Å; G299-V302 WeakPolarHBondContact O-CB 3.48Å; G299-V302 PolarHBondContact O-N 2.83Å; G299-V302 VanDerWaalsContact O-N 3.16Å; G299-I303 PolarHBondContact O-N 2.98Å; G299-F352 VanDerWaalsContact C-CE1 3.44Å | ||
| 300 | V | 89.9 | Confident | 92.3 | Very high | 69 Ų | 69 | 52.4 Ų | 52.4 | 42% | 0.418 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | V302 I303 N304 F352 | V300-V302 VanDerWaalsContact C-N 3.28Å; V300-V302 PolarHBondContact O-N 2.89Å; V300-I303 PolarHBondContact O-N 3.23Å; V300-N304 VanDerWaalsContact CG1-ND2 3.28Å; V300-N304 WeakPolarHBondContact CG1-ND2 3.48Å; V300-N304 PolarHBondContact O-N 3.24Å; V300-N304 PolarHBondContact O-ND2 2.99Å; V300-F352 HydrophobicContact CG2-CE1 3.95Å; V300-F352 HydrophobicContact CG2-CZ 3.67Å |
| 301 | D | 90.7 | Very high | 92.2 | Very high | 119 Ų | 119 | 54.3 Ų | 54.3 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.6 | -27 | 176.7 | -49.7 | -68 | 0 | 0 | 0 | 112.9 | G299 G305 | G299-D301 VanDerWaalsContact C-N 3.28Å; G299-D301 PolarHBondContact O-N 3.43Å; D301-G305 PolarHBondContact O-N 3.39Å |
| 302 | V | 92.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.6 | -41.8 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | V294 K296 G299 V300 A306 I365 | V294-V302 HydrophobicContact CB-CG1 3.72Å; V294-V302 HydrophobicContact CG1-CG1 3.95Å; V294-V302 HydrophobicContact CG2-CG1 4.2Å; K296-V302 HydrophobicContact CB-CG2 4.22Å; K296-V302 HydrophobicContact CD-CG2 4.32Å; G299-V302 WeakPolarHBondContact O-CB 3.48Å; G299-V302 PolarHBondContact O-N 2.83Å; G299-V302 VanDerWaalsContact O-N 3.16Å; V300-V302 VanDerWaalsContact C-N 3.28Å; V300-V302 PolarHBondContact O-N 2.89Å; V302-A306 WeakPolarHBondContact O-CB 3.32Å; V302-A306 PolarHBondContact O-N 3.01Å; V302-I365 HydrophobicContact CB-CD1 4.2Å; V302-I365 HydrophobicContact CG1-CD1 3.87Å |
| 303 | I | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 172.5 | -83.9 | 176.6 | 0 | 0 | 0 | 111.1 | G299 V300 A306 L307 F352 A354 A363 I365 | G299-I303 PolarHBondContact O-N 2.98Å; V300-I303 PolarHBondContact O-N 3.23Å; I303-A306 PolarHBondContact O-N 2.9Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 WeakPolarHBondContact O-CG 3.38Å; I303-L307 PolarHBondContact O-N 3.49Å; I303-F352 HydrophobicContact CD1-CD1 3.63Å; I303-F352 HydrophobicContact CD1-CE1 3.94Å; I303-F352 HydrophobicContact CG1-CD1 4.36Å; I303-A354 HydrophobicContact CD1-CB 3.77Å; I303-A354 HydrophobicContact CG2-CB 4.41Å; I303-A363 HydrophobicContact CB-CB 4.5Å; I303-A363 HydrophobicContact CD1-CB 4.23Å; I303-A363 HydrophobicContact CG1-CB 4.13Å; I303-A363 HydrophobicContact CG2-CB 3.76Å; I303-I365 HydrophobicContact CD1-CG1 4.33Å; I303-I365 HydrophobicContact CG1-CD1 4.18Å; I303-I365 HydrophobicContact CG1-CG1 4.02Å |
| 304 | N | 94.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | -178.6 | -76.5 | -56.8 | 0 | 0 | 0 | 112.5 | V300 A306 L307 E308 G356 R357 | V300-N304 VanDerWaalsContact CG1-ND2 3.28Å; V300-N304 WeakPolarHBondContact CG1-ND2 3.48Å; V300-N304 PolarHBondContact O-N 3.24Å; V300-N304 PolarHBondContact O-ND2 2.99Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 2.85Å; N304-L307 PolarHBondContact O-N 3.41Å; N304-E308 WeakPolarHBondContact O-CB 3.43Å; N304-E308 WeakPolarHBondContact O-CG 3.36Å; N304-E308 PolarHBondContact O-N 2.94Å; N304-G356 VanDerWaalsContact OD1-CA 3.28Å; N304-G356 WeakPolarHBondContact OD1-CA 3.41Å; N304-R357 PolarHBondContact OD1-N 2.97Å |
| 305 | G | 94.2 | Very high | 90.1 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D301 S309 | D301-G305 PolarHBondContact O-N 3.39Å; G305-S309 WeakPolarHBondContact O-CB 3.3Å; G305-S309 PolarHBondContact O-N 2.92Å; G305-S309 VanDerWaalsContact O-N 3.08Å |
| 306 | A | 94.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | V292 V302 I303 N304 S309 V310 C375 M377 | V292-A306 HydrophobicContact CG2-CB 3.69Å; V302-A306 WeakPolarHBondContact O-CB 3.32Å; V302-A306 PolarHBondContact O-N 3.01Å; I303-A306 PolarHBondContact O-N 2.9Å; N304-A306 VanDerWaalsContact C-N 3.31Å; N304-A306 PolarHBondContact O-N 2.85Å; A306-S309 PolarHBondContact O-N 3.02Å; A306-V310 PolarHBondContact O-N 3.39Å; A306-C375 HydrophobicContact CB-CB 4.33Å; A306-M377 HydrophobicContact CB-SD 3.71Å |
| 307 | L | 94.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 177.6 | -76.1 | 167.1 | 0 | 0 | 0 | 111.8 | L289 I303 N304 S309 V310 L311 A363 M377 | L289-L307 HydrophobicContact CD1-CD2 4.07Å; I303-L307 HydrophobicContact CG2-CD1 3.75Å; I303-L307 WeakPolarHBondContact O-CG 3.38Å; I303-L307 PolarHBondContact O-N 3.49Å; N304-L307 PolarHBondContact O-N 3.41Å; L307-S309 VanDerWaalsContact C-N 3.3Å; L307-S309 PolarHBondContact O-N 2.58Å; L307-V310 PolarHBondContact O-N 2.87Å; L307-V310 VanDerWaalsContact O-N 3.13Å; L307-L311 HydrophobicContact CB-CD1 4.37Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 2.88Å; L307-A363 HydrophobicContact CD1-CB 4.31Å; L307-A363 HydrophobicContact CG-CB 4.44Å; L307-M377 HydrophobicContact CD2-CB 3.78Å; L307-M377 HydrophobicContact CD2-CG 3.71Å; L307-M377 HydrophobicContact CD2-SD 4.04Å; L307-M377 HydrophobicContact CG-CG 4.16Å; L307-M377 HydrophobicContact CG-SD 4.19Å |
| 308 | E | 93.3 | Very high | 88.5 | Confident | 86 Ų | 86 | 60.2 Ų | 60.2 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 178.9 | -73.8 | 172.7 | 176.8 | 0 | 0 | 111.7 | N304 V310 S312 R357 | N304-E308 WeakPolarHBondContact O-CB 3.43Å; N304-E308 WeakPolarHBondContact O-CG 3.36Å; N304-E308 PolarHBondContact O-N 2.94Å; E308-V310 VanDerWaalsContact C-N 3.33Å; E308-V310 PolarHBondContact O-N 2.58Å; E308-S312 VanDerWaalsContact O-CB 3.28Å; E308-S312 WeakPolarHBondContact O-CB 3.42Å; E308-S312 PolarHBondContact O-N 3.49Å; E308-S312 VanDerWaalsContact O-N 3.1Å; E308-S312 PolarHBondContact O-OG 3.18Å; E308-R357 VanDerWaalsContact CD-NH1 3.26Å; E308-R357 VanDerWaalsContact OE1-CD 3.24Å; E308-R357 WeakPolarHBondContact OE1-CD 3.11Å; E308-R357 IonicContact OE1-CZ 2.65Å; E308-R357 IonicContact OE1-NE 2.64Å; E308-R357 IonicContact OE1-NH1 3.24Å; E308-R357 PolarHBondContact OE1-NH1 3.06Å; E308-R357 IonicContact OE2-NH1 3.5Å; E308-R357 PolarHBondContact OE2-NH1 3.5Å; E308-R357 VanDerWaalsContact OE2-NH1 3.1Å |
| 309 | S | 91.5 | Very high | 88.5 | Confident | 73 Ų | 73 | 58 Ų | 58 | 51% | 0.51 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.6 | -31.7 | 174.4 | -172.5 | 0 | 0 | 0 | 0 | 113.5 | G305 A306 L307 S312 S313 | G305-S309 WeakPolarHBondContact O-CB 3.3Å; G305-S309 PolarHBondContact O-N 2.92Å; G305-S309 VanDerWaalsContact O-N 3.08Å; A306-S309 PolarHBondContact O-N 3.02Å; L307-S309 VanDerWaalsContact C-N 3.3Å; L307-S309 PolarHBondContact O-N 2.58Å; S309-S312 PolarHBondContact O-OG 3.09Å; S309-S313 WeakPolarHBondContact O-CB 3.32Å; S309-S313 PolarHBondContact O-OG 3.3Å; S309-S313 VanDerWaalsContact O-OG 3.06Å |
| 310 | V | 90.9 | Very high | 88.7 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -86.5 | -41.9 | 178.9 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | L289 V292 A306 L307 E308 S312 S313 S314 M377 | L289-V310 HydrophobicContact CB-CG1 4.07Å; V292-V310 HydrophobicContact CG1-CG2 4.36Å; A306-V310 PolarHBondContact O-N 3.39Å; L307-V310 PolarHBondContact O-N 2.87Å; L307-V310 VanDerWaalsContact O-N 3.13Å; E308-V310 VanDerWaalsContact C-N 3.33Å; E308-V310 PolarHBondContact O-N 2.58Å; V310-S312 PolarHBondContact O-N 3.33Å; V310-S313 PolarHBondContact O-N 2.68Å; V310-S313 PolarHBondContact O-OG 3.31Å; V310-S314 VanDerWaalsContact O-CB 3.29Å; V310-S314 WeakPolarHBondContact O-CB 3.37Å; V310-S314 PolarHBondContact O-N 3.21Å; V310-S314 PolarHBondContact O-OG 3.43Å; V310-M377 HydrophobicContact CG2-CE 3.63Å; V310-M377 HydrophobicContact CG2-SD 4.15Å |
| 311 | L | 90.3 | Very high | 89 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.5 | -22.9 | 180 | -65.6 | 169.1 | 0 | 0 | 0 | 112.9 | L289 L307 W319 T361 W379 | L289-L311 HydrophobicContact CD1-CD2 4.21Å; L307-L311 HydrophobicContact CB-CD1 4.37Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 VanDerWaalsContact O-CG 3.23Å; L307-L311 WeakPolarHBondContact O-CG 3.45Å; L307-L311 PolarHBondContact O-N 2.88Å; L311-W319 HydrophobicContact CD2-CH2 3.85Å; L311-W319 HydrophobicContact CD2-CZ2 3.49Å; L311-W319 VanDerWaalsContact CD2-CZ2 3.49Å; L311-T361 HydrophobicContact CD1-CG2 3.87Å; L311-W379 HydrophobicContact CD2-CE3 4.28Å; L311-W379 HydrophobicContact CD2-CZ3 4.44Å |
| 312 | S | 88.3 | Confident | 89.3 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 71% | 0.706 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -20.3 | 172.3 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | E308 S309 V310 | E308-S312 VanDerWaalsContact O-CB 3.28Å; E308-S312 WeakPolarHBondContact O-CB 3.42Å; E308-S312 PolarHBondContact O-N 3.49Å; E308-S312 VanDerWaalsContact O-N 3.1Å; E308-S312 PolarHBondContact O-OG 3.18Å; S309-S312 PolarHBondContact O-OG 3.09Å; V310-S312 PolarHBondContact O-N 3.33Å |
| 313 | S | 83.5 | Confident | 89.3 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 58% | 0.58 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -29.9 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | S309 V310 | S309-S313 WeakPolarHBondContact O-CB 3.32Å; S309-S313 PolarHBondContact O-OG 3.3Å; S309-S313 VanDerWaalsContact O-OG 3.06Å; V310-S313 PolarHBondContact O-N 2.68Å; V310-S313 PolarHBondContact O-OG 3.31Å |
| 314 | S | 81.1 | Confident | 89.4 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -118.2 | 112 | -165.9 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | V310 W319 | V310-S314 VanDerWaalsContact O-CB 3.29Å; V310-S314 WeakPolarHBondContact O-CB 3.37Å; V310-S314 PolarHBondContact O-N 3.21Å; V310-S314 PolarHBondContact O-OG 3.43Å; S314-W319 PolarHBondContact O-NE1 2.79Å |
| 315 | S | 81.6 | Confident | 89.5 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | trans | -67.6 | 156.9 | 177.4 | 77.7 | 0 | 0 | 0 | 0 | 111.6 | E317 Q318 W319 | S315-E317 WeakPolarHBondContact CB-OE2 3.35Å; S315-E317 PolarHBondContact O-N 3.2Å; S315-E317 VanDerWaalsContact O-N 3.09Å; S315-E317 PolarHBondContact OG-OE2 3.4Å; S315-Q318 WeakPolarHBondContact O-CB 3.25Å; S315-Q318 PolarHBondContact O-N 3.5Å; S315-Q318 PolarHBondContact OG-NE2 3.35Å; S315-W319 VanDerWaalsContact O-CD1 3.29Å; S315-W319 PolarHBondContact O-NE1 3.44Å | ||
| 316 | R | 77.9 | Confident | 89.5 | Confident | 112 Ų | 112 | 50 Ų | 50 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -63.6 | -21.2 | -168.6 | -175.5 | 160 | 177.9 | 158.4 | 2.1 | 113.7 | Q318 W319 E381 | R316-Q318 VanDerWaalsContact C-N 3.28Å; R316-Q318 PolarHBondContact O-N 3.15Å; R316-W319 HydrophobicContact CB-CD2 4.41Å; R316-W319 HydrophobicContact CB-CE3 4.43Å; R316-W319 HydrophobicContact CB-CH2 4.24Å; R316-W319 HydrophobicContact CB-CZ2 4.19Å; R316-W319 HydrophobicContact CB-CZ3 4.34Å; R316-W319 HydrophobicContact CG-CD2 4.21Å; R316-W319 HydrophobicContact CG-CE3 3.79Å; R316-W319 HydrophobicContact CG-CH2 4.03Å; R316-W319 HydrophobicContact CG-CZ2 4.41Å; R316-W319 HydrophobicContact CG-CZ3 3.68Å; R316-E381 IonicContact CZ-OE1 2.84Å; R316-E381 IonicContact NH1-OE1 3.77Å; R316-E381 IonicContact NH2-OE1 3.75Å; R316-E381 PolarHBondContact NH2-OE1 3.44Å |
| 317 | E | 76.8 | Confident | 89.2 | Confident | 154 Ų | 154 | 50.2 Ų | 50.2 | 72% | 0.72 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -76.1 | -15.5 | 176.8 | -49.6 | 69.7 | -146.3 | 0 | 0 | 112.7 | S315 | S315-E317 WeakPolarHBondContact CB-OE2 3.35Å; S315-E317 PolarHBondContact O-N 3.2Å; S315-E317 VanDerWaalsContact O-N 3.09Å; S315-E317 PolarHBondContact OG-OE2 3.4Å |
| 318 | Q | 80.8 | Confident | 88.6 | Confident | 124 Ų | 124 | 51.5 Ų | 51.5 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -93.4 | -11.5 | -179.4 | -56.4 | 175.2 | 46.9 | 0 | 0 | 112.6 | S315 R316 | S315-Q318 WeakPolarHBondContact O-CB 3.25Å; S315-Q318 PolarHBondContact O-N 3.5Å; S315-Q318 PolarHBondContact OG-NE2 3.35Å; R316-Q318 VanDerWaalsContact C-N 3.28Å; R316-Q318 PolarHBondContact O-N 3.15Å |
| 319 | W | 91.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -75.4 | 135.6 | -177.3 | -52.7 | -10.6 | 0 | 0 | 0 | 110.6 | Y287 L289 L311 S314 S315 R316 P321 W379 | Y287-W319 HydrophobicContact CD1-CB 4.35Å; Y287-W319 HydrophobicContact CG-CB 4.45Å; L289-W319 HydrophobicContact CD2-CB 4.02Å; L289-W319 HydrophobicContact CD2-CD2 3.3Å; L289-W319 HydrophobicContact CD2-CE3 3.73Å; L289-W319 HydrophobicContact CD2-CG 3.44Å; L289-W319 VanDerWaalsContact CD2-CG 3.44Å; L289-W319 HydrophobicContact CD2-CZ2 4.28Å; L289-W319 HydrophobicContact CD2-CZ3 4.37Å; L311-W319 HydrophobicContact CD2-CH2 3.85Å; L311-W319 HydrophobicContact CD2-CZ2 3.49Å; L311-W319 VanDerWaalsContact CD2-CZ2 3.49Å; S314-W319 PolarHBondContact O-NE1 2.79Å; S315-W319 VanDerWaalsContact O-CD1 3.29Å; S315-W319 PolarHBondContact O-NE1 3.44Å; R316-W319 HydrophobicContact CB-CD2 4.41Å; R316-W319 HydrophobicContact CB-CE3 4.43Å; R316-W319 HydrophobicContact CB-CH2 4.24Å; R316-W319 HydrophobicContact CB-CZ2 4.19Å; R316-W319 HydrophobicContact CB-CZ3 4.34Å; R316-W319 HydrophobicContact CG-CD2 4.21Å; R316-W319 HydrophobicContact CG-CE3 3.79Å; R316-W319 HydrophobicContact CG-CH2 4.03Å; R316-W319 HydrophobicContact CG-CZ2 4.41Å; R316-W319 HydrophobicContact CG-CZ3 3.68Å; W319-P321 VanDerWaalsContact O-CD 3.32Å; W319-P321 WeakPolarHBondContact O-CD 3.35Å; W319-W379 HydrophobicContact CE3-CB 3.95Å; W319-W379 HydrophobicContact CE3-CD2 4.45Å; W319-W379 HydrophobicContact CE3-CG 4.07Å; W319-W379 AromaticContact CH2-CD2 3.86Å; W319-W379 HydrophobicContact CH2-CD2 3.86Å; W319-W379 AromaticContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CG 4.34Å; W319-W379 HydrophobicContact CH2-CZ3 4.06Å; W319-W379 HydrophobicContact CZ3-CB 3.79Å; W319-W379 AromaticContact CZ3-CD2 3.43Å; W319-W379 HydrophobicContact CZ3-CD2 3.43Å; W319-W379 VanDerWaalsContact CZ3-CD2 3.43Å; W319-W379 AromaticContact CZ3-CE3 3.66Å; W319-W379 HydrophobicContact CZ3-CE3 3.66Å; W319-W379 AromaticContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CG 3.48Å; W319-W379 VanDerWaalsContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CZ3 4.47Å |
| 320 | T | 92.2 | Very high | 88.3 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 115.6 | -167.2 | -62 | 0 | 0 | 0 | 0 | 111.4 | Y287 Y288 S322 L342 | Y287-T320 WeakPolarHBondContact CA-O 3.34Å; Y288-T320 PolarHBondContact N-O 3.42Å; Y288-T320 PolarHBondContact O-N 3.22Å; T320-S322 WeakPolarHBondContact O-CB 3.33Å; T320-S322 PolarHBondContact O-N 2.85Å; T320-S322 PolarHBondContact O-OG 3.2Å; T320-L342 HydrophobicContact CG2-CD1 3.65Å |
| 321 | P | 94.9 | Very high | 88.4 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 121.9 | -179.6 | -20 | 33.5 | 0 | 0 | 0 | 110.5 | Y287 W319 H335 Q336 | Y287-P321 HydrophobicContact CD1-CB 4.38Å; Y287-P321 HydrophobicContact CD1-CG 4.23Å; Y287-P321 HydrophobicContact CE1-CB 4.27Å; Y287-P321 HydrophobicContact CE1-CG 4.09Å; W319-P321 VanDerWaalsContact O-CD 3.32Å; W319-P321 WeakPolarHBondContact O-CD 3.35Å; P321-H335 PolarHBondContact O-CD2 3.44Å; P321-Q336 HydrophobicContact CB-CB 4.17Å; P321-Q336 VanDerWaalsContact O-CB 3.3Å; P321-Q336 WeakPolarHBondContact O-CB 3.07Å; P321-Q336 PolarHBondContact O-N 2.85Å |
| 322 | S | 96.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 161.1 | -161.5 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | V286 Y288 T320 L334 L342 | V286-S322 PolarHBondContact N-O 2.86Å; V286-S322 CarbonylContact O-C 3.58Å; V286-S322 WeakPolarHBondContact O-CA 3.34Å; V286-S322 PolarHBondContact O-N 2.87Å; Y288-S322 VanDerWaalsContact CB-OG 3.31Å; Y288-S322 WeakPolarHBondContact CB-OG 3.38Å; T320-S322 WeakPolarHBondContact O-CB 3.33Å; T320-S322 PolarHBondContact O-N 2.85Å; T320-S322 PolarHBondContact O-OG 3.2Å; S322-L334 CarbonylContact C-O 3.59Å; S322-L334 WeakPolarHBondContact CA-O 3.41Å; S322-L334 WeakPolarHBondContact CB-O 3.41Å; S322-L342 WeakPolarHBondContact OG-CD1 3.45Å |
| 323 | H | 93.6 | Very high | 89.1 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.6 | 169.6 | -67.4 | -12.2 | 0 | 0 | 0 | 109.9 | F284 Q285 L334 | F284-H323 CarbonylContact O-C 3.58Å; F284-H323 VanDerWaalsContact O-CA 3.25Å; F284-H323 WeakPolarHBondContact O-CA 3.12Å; Q285-H323 VanDerWaalsContact CG-CE1 3.47Å; Q285-H323 WeakPolarHBondContact CG-CE1 3.38Å; Q285-H323 PolarHBondContact NE2-CE1 2.88Å; Q285-H323 VanDerWaalsContact NE2-CE1 3.3Å; H323-L334 PolarHBondContact N-O 2.98Å; H323-L334 PolarHBondContact O-N 3.24Å |
| 324 | V | 96.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.7 | 171.7 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | K283 F284 V286 V326 F378 L387 | K283-V324 WeakPolarHBondContact CA-O 3.49Å; F284-V324 PolarHBondContact N-O 3.31Å; F284-V324 PolarHBondContact O-N 3.36Å; V286-V324 HydrophobicContact CG2-CG2 3.72Å; V324-V326 HydrophobicContact CG1-CG2 4.02Å; V324-F378 HydrophobicContact CG2-CD1 3.8Å; V324-F378 HydrophobicContact CG2-CE1 3.52Å; V324-F378 HydrophobicContact CG2-CZ 4.27Å; V324-L387 HydrophobicContact CB-CD1 4.05Å; V324-L387 HydrophobicContact CB-CD2 4.46Å; V324-L387 HydrophobicContact CG1-CD1 3.76Å; V324-L387 HydrophobicContact CG2-CD2 4.42Å |
| 325 | S | 95.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 99.9 | 178.4 | 167.5 | 0 | 0 | 0 | 0 | 109 | V281 L331 T332 | V281-S325 WeakPolarHBondContact CG1-OG 3.44Å; S325-L331 WeakPolarHBondContact O-CA 3.34Å; S325-T332 PolarHBondContact N-O 2.65Å; S325-T332 PolarHBondContact O-N 2.98Å |
| 326 | V | 94.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 112.3 | -178.8 | -179 | 0 | 0 | 0 | 0 | 109.8 | V281 Q282 F284 V324 L331 L387 A390 V391 A394 | V281-V326 WeakPolarHBondContact CA-O 3.38Å; Q282-V326 PolarHBondContact N-O 3.43Å; Q282-V326 PolarHBondContact O-N 3.09Å; F284-V326 HydrophobicContact CD2-CG2 3.84Å; F284-V326 HydrophobicContact CE2-CB 4.26Å; F284-V326 HydrophobicContact CE2-CG2 3.74Å; V324-V326 HydrophobicContact CG1-CG2 4.02Å; V326-L331 HydrophobicContact CB-CD2 4.22Å; V326-L331 HydrophobicContact CG1-CD2 3.8Å; V326-L331 HydrophobicContact CG2-CD2 4.19Å; V326-L387 HydrophobicContact CG2-CD1 3.8Å; V326-A390 HydrophobicContact CG1-CB 4.21Å; V326-A390 HydrophobicContact CG2-CB 4.38Å; V326-V391 HydrophobicContact CG2-CG2 4.03Å; V326-A394 HydrophobicContact CG1-CB 4.1Å |
| 327 | A | 89.8 | Confident | 90.9 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | trans | -116.7 | 157.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V281 A329 T330 | V281-A327 HydrophobicContact CG2-CB 4.03Å; A327-A329 PolarHBondContact O-N 3.5Å; A327-T330 WeakPolarHBondContact CA-O 3.38Å; A327-T330 WeakPolarHBondContact CB-O 3.47Å; A327-T330 PolarHBondContact N-O 3.45Å; A327-T330 PolarHBondContact O-N 3.12Å; A327-T330 VanDerWaalsContact O-O 3.11Å | ||
| 328 | P | 81.8 | Confident | 91.4 | Very high | 30 Ų | 30 | 37 Ų | 37 | 20% | 0.195 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -56.4 | -20.4 | -176 | -27.6 | 35.2 | 0 | 0 | 0 | 116.3 | E279 | E279-P328 HydrophobicContact CB-CG 4.24Š|
| 329 | A | 85.4 | Confident | 91.6 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -112.2 | -22.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | A327 V347 R398 | A327-A329 PolarHBondContact O-N 3.5Å; A329-V347 WeakPolarHBondContact O-CB 3.12Å; A329-V347 PolarHBondContact O-N 3.35Å; A329-R398 PolarHBondContact O-NH1 3.14Å |
| 330 | T | 91.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 18% | 0.178 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 139.7 | -163.3 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | A327 E344 | A327-T330 WeakPolarHBondContact CA-O 3.38Å; A327-T330 WeakPolarHBondContact CB-O 3.47Å; A327-T330 PolarHBondContact N-O 3.45Å; A327-T330 PolarHBondContact O-N 3.12Å; A327-T330 VanDerWaalsContact O-O 3.11Å; T330-E344 HydrophobicContact CG2-CG 3.3Å |
| 331 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.2 | 164.3 | -41.9 | 179.8 | 0 | 0 | 0 | 108.3 | S325 V326 C345 V347 L350 F364 V391 | S325-L331 WeakPolarHBondContact O-CA 3.34Å; V326-L331 HydrophobicContact CB-CD2 4.22Å; V326-L331 HydrophobicContact CG1-CD2 3.8Å; V326-L331 HydrophobicContact CG2-CD2 4.19Å; L331-C345 HydrophobicContact CB-CB 4.25Å; L331-C345 PolarHBondContact N-O 3.2Å; L331-C345 PolarHBondContact O-N 2.94Å; L331-V347 HydrophobicContact CD2-CG2 4.07Å; L331-V347 HydrophobicContact CG-CG2 4.25Å; L331-L350 HydrophobicContact CD1-CD1 4.09Å; L331-L350 HydrophobicContact CD1-CD2 4.5Å; L331-F364 HydrophobicContact CD1-CD1 4.2Å; L331-F364 HydrophobicContact CD1-CE1 3.65Å; L331-F364 HydrophobicContact CD1-CZ 3.89Å; L331-V391 HydrophobicContact CD1-CG1 3.95Å; L331-V391 HydrophobicContact CD1-CG2 3.94Å; L331-V391 HydrophobicContact CD2-CG2 4.11Å |
| 332 | T | 95.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 17% | 0.172 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.6 | 174.6 | -46 | 0 | 0 | 0 | 0 | 109.8 | S325 L334 V341 | S325-T332 PolarHBondContact N-O 2.65Å; S325-T332 PolarHBondContact O-N 2.98Å; T332-L334 HydrophobicContact CG2-CD2 3.89Å; T332-L334 HydrophobicContact CG2-CG 4.13Å; T332-V341 HydrophobicContact CG2-CG1 4.05Å; T332-V341 HydrophobicContact CG2-CG2 4.3Å |
| 333 | I | 96.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.5 | 175.9 | -45 | 171.5 | 0 | 0 | 0 | 107.2 | Y288 L342 G343 F378 | Y288-I333 HydrophobicContact CD1-CG2 4.16Å; Y288-I333 HydrophobicContact CD2-CD1 4.25Å; Y288-I333 HydrophobicContact CD2-CG2 4.27Å; Y288-I333 HydrophobicContact CE1-CD1 4.46Å; Y288-I333 HydrophobicContact CE1-CG2 4.48Å; Y288-I333 HydrophobicContact CE2-CD1 3.68Å; Y288-I333 HydrophobicContact CG-CG2 4.02Å; I333-L342 HydrophobicContact CB-CB 4.25Å; I333-L342 HydrophobicContact CG2-CB 4.02Å; I333-L342 HydrophobicContact CG2-CD1 4.38Å; I333-L342 PolarHBondContact O-N 2.94Å; I333-G343 PolarHBondContact N-O 2.89Å; I333-G343 PolarHBondContact O-N 3.47Å; I333-F378 HydrophobicContact CD1-CE1 3.82Å; I333-F378 HydrophobicContact CD1-CZ 3.67Å; I333-F378 HydrophobicContact CG1-CE1 4.04Å; I333-F378 HydrophobicContact CG1-CZ 4.12Å; I333-F378 HydrophobicContact CG2-CE1 4.15Å |
| 334 | L | 93.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.5 | -174.7 | -61.7 | 165 | 0 | 0 | 0 | 109.8 | S322 H323 T332 E339 A340 V341 | S322-L334 CarbonylContact C-O 3.59Å; S322-L334 WeakPolarHBondContact CA-O 3.41Å; S322-L334 WeakPolarHBondContact CB-O 3.41Å; H323-L334 PolarHBondContact N-O 2.98Å; H323-L334 PolarHBondContact O-N 3.24Å; T332-L334 HydrophobicContact CG2-CD2 3.89Å; T332-L334 HydrophobicContact CG2-CG 4.13Å; L334-E339 WeakPolarHBondContact CD2-O 3.46Å; L334-A340 CarbonylContact C-O 3.59Å; L334-A340 WeakPolarHBondContact CA-O 3.34Å; L334-V341 HydrophobicContact CD2-CG2 3.84Å |
| 335 | H | 92.8 | Very high | 90.9 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 16% | 0.157 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129.9 | 171 | -179.3 | -118.4 | 0 | 0 | 0 | 110.5 | P321 Q337 T338 E339 A340 L342 | P321-H335 PolarHBondContact O-CD2 3.44Å; H335-Q337 VanDerWaalsContact C-N 3.28Å; H335-Q337 PolarHBondContact O-N 3.35Å; H335-Q337 VanDerWaalsContact O-N 3.16Å; H335-T338 PolarHBondContact ND1-OG1 3.25Å; H335-T338 PolarHBondContact O-N 3.41Å; H335-E339 VanDerWaalsContact O-CA 3.31Å; H335-E339 WeakPolarHBondContact O-CA 3.36Å; H335-E339 PolarHBondContact O-N 3.16Å; H335-A340 HydrophobicContact CB-CB 4.36Å; H335-A340 PolarHBondContact N-O 3.46Å; H335-L342 HydrophobicContact CB-CD1 4.03Å; H335-L342 HydrophobicContact CB-CD2 4.27Å; H335-L342 HydrophobicContact CB-CG 4.17Å |
| 336 | Q | 88.8 | Confident | 90.7 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.3 | -168.5 | 172.4 | 166.8 | 11 | 0 | 0 | 114.4 | P321 | P321-Q336 HydrophobicContact CB-CB 4.17Å; P321-Q336 VanDerWaalsContact O-CB 3.3Å; P321-Q336 WeakPolarHBondContact O-CB 3.07Å; P321-Q336 PolarHBondContact O-N 2.85Å |
| 337 | Q | 86.3 | Confident | 90.4 | Very high | 157 Ų | 157 | 47.6 Ų | 47.6 | 73% | 0.734 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -19.2 | -173 | -61.4 | 171.3 | -3.5 | 0 | 0 | 113.8 | H335 | H335-Q337 VanDerWaalsContact C-N 3.28Å; H335-Q337 PolarHBondContact O-N 3.35Å; H335-Q337 VanDerWaalsContact O-N 3.16Å |
| 338 | T | 86.9 | Confident | 90.3 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 58% | 0.577 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -5.6 | -174.2 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | H335 A340 | H335-T338 PolarHBondContact ND1-OG1 3.25Å; H335-T338 PolarHBondContact O-N 3.41Å; T338-A340 PolarHBondContact O-N 3.09Å; T338-A340 WeakPolarHBondContact OG1-CB 3.21Å |
| 339 | E | 86.8 | Confident | 90.6 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | trans | 48 | 22.9 | -168.6 | -66.5 | -96.7 | 127.2 | 0 | 0 | 113.4 | K283 L334 H335 | K283-E339 IonicContact NZ-OE1 3.52Å; K283-E339 PolarHBondContact NZ-OE1 2.91Å; K283-E339 IonicContact NZ-OE2 2.76Å; K283-E339 PolarHBondContact NZ-OE2 3.08Å; L334-E339 WeakPolarHBondContact CD2-O 3.46Å; H335-E339 VanDerWaalsContact O-CA 3.31Å; H335-E339 WeakPolarHBondContact O-CA 3.36Å; H335-E339 PolarHBondContact O-N 3.16Å | ||
| 340 | A | 88.9 | Confident | 90.9 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | trans | -68.9 | 134.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L334 H335 T338 L342 | L334-A340 CarbonylContact C-O 3.59Å; L334-A340 WeakPolarHBondContact CA-O 3.34Å; H335-A340 HydrophobicContact CB-CB 4.36Å; H335-A340 PolarHBondContact N-O 3.46Å; T338-A340 PolarHBondContact O-N 3.09Å; T338-A340 WeakPolarHBondContact OG1-CB 3.21Å; A340-L342 PolarHBondContact O-N 3.18Å | ||
| 341 | V | 91.3 | Very high | 90.7 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 112.6 | -178.6 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | T332 L334 | T332-V341 HydrophobicContact CG2-CG1 4.05Å; T332-V341 HydrophobicContact CG2-CG2 4.3Å; L334-V341 HydrophobicContact CD2-CG2 3.84Å |
| 342 | L | 91.9 | Very high | 90.6 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -15.1 | 174.9 | -58.3 | 177.7 | 0 | 0 | 0 | 112.4 | Y288 T320 S322 I333 H335 A340 | Y288-L342 HydrophobicContact CD1-CB 4.24Å; Y288-L342 HydrophobicContact CD1-CD1 4.1Å; Y288-L342 HydrophobicContact CE1-CB 4.18Å; T320-L342 HydrophobicContact CG2-CD1 3.65Å; S322-L342 WeakPolarHBondContact OG-CD1 3.45Å; I333-L342 HydrophobicContact CB-CB 4.25Å; I333-L342 HydrophobicContact CG2-CB 4.02Å; I333-L342 HydrophobicContact CG2-CD1 4.38Å; I333-L342 PolarHBondContact O-N 2.94Å; H335-L342 HydrophobicContact CB-CD1 4.03Å; H335-L342 HydrophobicContact CB-CD2 4.27Å; H335-L342 HydrophobicContact CB-CG 4.17Å; A340-L342 PolarHBondContact O-N 3.18Å |
| 343 | G | 91.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | 150.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I333 | I333-G343 PolarHBondContact N-O 2.89Å; I333-G343 PolarHBondContact O-N 3.47Å |
| 344 | E | 93.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.5 | 169.2 | -171.9 | -172.6 | 119.5 | 0 | 0 | 110 | T330 R346 | T330-E344 HydrophobicContact CG2-CG 3.3Å; E344-R346 WeakPolarHBondContact OE1-CG 3.47Å; E344-R346 IonicContact OE1-CZ 3.11Å; E344-R346 IonicContact OE1-NE 2.62Å; E344-R346 PolarHBondContact OE1-NE 3.01Å; E344-R346 IonicContact OE1-NH2 3.37Å; E344-R346 PolarHBondContact OE1-NH2 2.86Å |
| 345 | C | 92.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 96.7 | -176 | -51.6 | 0 | 0 | 0 | 0 | 109 | L331 V347 F364 M366 | L331-C345 HydrophobicContact CB-CB 4.25Å; L331-C345 PolarHBondContact N-O 3.2Å; L331-C345 PolarHBondContact O-N 2.94Å; C345-V347 PolarHBondContact O-N 2.79Å; C345-F364 HydrophobicContact CB-CE2 3.7Å; C345-F364 HydrophobicContact CB-CZ 3.78Å; C345-M366 HydrophobicContact CB-SD 3.7Å |
| 346 | R | 90.3 | Very high | 90.2 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.6 | -177.9 | -62.9 | 175.7 | -178.8 | 163.3 | -5 | 110.5 | E272 E344 R348 F349 | E272-R346 IonicContact OE1-CZ 3.78Å; E272-R346 IonicContact OE1-NH2 3.97Å; E272-R346 PolarHBondContact OE1-NH2 2.65Å; E272-R346 IonicContact OE2-NH2 3.66Å; E272-R346 PolarHBondContact OE2-NH2 3.38Å; E344-R346 WeakPolarHBondContact OE1-CG 3.47Å; E344-R346 IonicContact OE1-CZ 3.11Å; E344-R346 IonicContact OE1-NE 2.62Å; E344-R346 PolarHBondContact OE1-NE 3.01Å; E344-R346 IonicContact OE1-NH2 3.37Å; E344-R346 PolarHBondContact OE1-NH2 2.86Å; R346-R348 HydrophobicContact CB-CG 4.03Å; R346-R348 PolarHBondContact O-N 3.04Å; R346-F349 HydrophobicContact CB-CD2 4.03Å; R346-F349 HydrophobicContact CB-CE2 4.44Å; R346-F349 PolarHBondContact O-N 3.36Å |
| 347 | V | 89.2 | Confident | 90.3 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -57.8 | -25.7 | -170.3 | 174.5 | 0 | 0 | 0 | 0 | 113.1 | A329 L331 C345 F349 L350 A394 R398 | A329-V347 WeakPolarHBondContact O-CB 3.12Å; A329-V347 PolarHBondContact O-N 3.35Å; L331-V347 HydrophobicContact CD2-CG2 4.07Å; L331-V347 HydrophobicContact CG-CG2 4.25Å; C345-V347 PolarHBondContact O-N 2.79Å; V347-F349 PolarHBondContact O-N 2.88Å; V347-L350 HydrophobicContact CB-CD1 4.31Å; V347-L350 HydrophobicContact CG1-CD1 4.22Å; V347-L350 HydrophobicContact CG2-CD1 4.26Å; V347-L350 PolarHBondContact O-N 3.49Å; V347-A394 HydrophobicContact CG2-CB 4.27Å; V347-R398 HydrophobicContact CG1-CB 4.1Å |
| 348 | R | 86.6 | Confident | 90.4 | Very high | 159 Ų | 159 | 54.2 Ų | 54.2 | 60% | 0.6 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -61.4 | -16.9 | 172.2 | 51.8 | 176.5 | -72.3 | 171.5 | -2.3 | 115.5 | R346 | R346-R348 HydrophobicContact CB-CG 4.03Å; R346-R348 PolarHBondContact O-N 3.04Å |
| 349 | F | 88.3 | Confident | 90.7 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -111.8 | -1.9 | -176.2 | -60 | -53.7 | 0 | 0 | 0 | 113.3 | R346 V347 S351 M366 A367 | R346-F349 HydrophobicContact CB-CD2 4.03Å; R346-F349 HydrophobicContact CB-CE2 4.44Å; R346-F349 PolarHBondContact O-N 3.36Å; V347-F349 PolarHBondContact O-N 2.88Å; F349-S351 PolarHBondContact O-N 3.32Å; F349-M366 CarbonylContact O-C 3.54Å; F349-M366 WeakPolarHBondContact O-CA 3.35Å; F349-A367 PolarHBondContact O-N 3.48Å |
| 350 | L | 91.3 | Very high | 91 | Very high | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 123.2 | 168.8 | -67.1 | 168.6 | 0 | 0 | 0 | 108.9 | L331 V347 F364 V391 C395 | L331-L350 HydrophobicContact CD1-CD1 4.09Å; L331-L350 HydrophobicContact CD1-CD2 4.5Å; V347-L350 HydrophobicContact CB-CD1 4.31Å; V347-L350 HydrophobicContact CG1-CD1 4.22Å; V347-L350 HydrophobicContact CG2-CD1 4.26Å; V347-L350 PolarHBondContact O-N 3.49Å; L350-F364 HydrophobicContact CD2-CB 3.85Å; L350-F364 HydrophobicContact CD2-CD1 4.37Å; L350-F364 HydrophobicContact CD2-CD2 3.26Å; L350-F364 HydrophobicContact CD2-CE2 3.84Å; L350-F364 HydrophobicContact CD2-CG 3.58Å; L350-V391 HydrophobicContact CD1-CG1 4.16Å; L350-C395 VanDerWaalsContact CD1-SG 3.56Å |
| 351 | S | 88.9 | Confident | 91.2 | Very high | 27 Ų | 27 | 49 Ų | 49 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -33.6 | -178.5 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | P297 F349 I365 | P297-S351 CarbonylContact O-C 3.56Å; P297-S351 WeakPolarHBondContact O-CB 3.35Å; P297-S351 PolarHBondContact O-OG 3.18Å; F349-S351 PolarHBondContact O-N 3.32Å; S351-I365 PolarHBondContact N-O 3.41Å; S351-I365 PolarHBondContact OG-O 3.01Å |
| 352 | F | 92.4 | Very high | 91.5 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156.8 | 172.8 | -165.4 | -109.5 | 0 | 0 | 0 | 111.1 | I14 P297 V298 G299 V300 I303 A354 F364 I365 | I14-F352 HydrophobicContact CD1-CD2 4.36Å; I14-F352 HydrophobicContact CG1-CD2 3.97Å; I14-F352 HydrophobicContact CG1-CE2 4.28Å; P297-F352 WeakPolarHBondContact O-CB 3.43Å; P297-F352 PolarHBondContact O-N 3.07Å; V298-F352 HydrophobicContact CB-CB 4.18Å; V298-F352 HydrophobicContact CB-CD2 4.13Å; V298-F352 HydrophobicContact CB-CG 4.21Å; V298-F352 HydrophobicContact CG1-CB 4.07Å; V298-F352 HydrophobicContact CG1-CD2 4.25Å; V298-F352 HydrophobicContact CG1-CG 4.45Å; G299-F352 VanDerWaalsContact C-CE1 3.44Å; V300-F352 HydrophobicContact CG2-CE1 3.95Å; V300-F352 HydrophobicContact CG2-CZ 3.67Å; I303-F352 HydrophobicContact CD1-CD1 3.63Å; I303-F352 HydrophobicContact CD1-CE1 3.94Å; I303-F352 HydrophobicContact CG1-CD1 4.36Å; F352-A354 HydrophobicContact CE1-CB 4.05Å; F352-A354 HydrophobicContact CZ-CB 4.49Å; F352-F364 CarbonylContact O-C 3.58Å; F352-F364 WeakPolarHBondContact O-CA 3.37Å; F352-I365 HydrophobicContact CB-CB 4.28Å; F352-I365 HydrophobicContact CB-CD1 4.24Å; F352-I365 HydrophobicContact CB-CG1 4.44Å; F352-I365 HydrophobicContact CD1-CD1 4.43Å; F352-I365 PolarHBondContact N-O 3.43Å; F352-I365 PolarHBondContact O-N 3.5Å |
| 353 | L | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 131.7 | -167.5 | 120.7 | 74.6 | 0 | 0 | 0 | 108.3 | W12 I14 F362 F364 V391 | W12-L353 HydrophobicContact CD2-CD1 4.28Å; W12-L353 HydrophobicContact CD2-CG 4.29Å; W12-L353 HydrophobicContact CE3-CD1 4.11Å; W12-L353 HydrophobicContact CE3-CD2 4.32Å; W12-L353 HydrophobicContact CE3-CG 3.71Å; W12-L353 HydrophobicContact CH2-CD1 3.28Å; W12-L353 HydrophobicContact CH2-CD2 3.73Å; W12-L353 HydrophobicContact CH2-CG 3.54Å; W12-L353 HydrophobicContact CZ2-CD1 3.52Å; W12-L353 HydrophobicContact CZ2-CG 4.17Å; W12-L353 HydrophobicContact CZ3-CD1 3.63Å; W12-L353 HydrophobicContact CZ3-CD2 3.49Å; W12-L353 VanDerWaalsContact CZ3-CD2 3.49Å; W12-L353 HydrophobicContact CZ3-CG 3.29Å; I14-L353 HydrophobicContact CD1-CB 3.92Å; I14-L353 HydrophobicContact CD1-CD2 4.17Å; I14-L353 HydrophobicContact CD1-CG 4.16Å; L353-F362 HydrophobicContact CD1-CE2 3.31Å; L353-F362 HydrophobicContact CD1-CZ 3.42Å; L353-F362 VanDerWaalsContact CD1-CZ 3.42Å; L353-F364 HydrophobicContact CB-CB 3.83Å; L353-V391 HydrophobicContact CD1-CG1 4.28Å; L353-V391 HydrophobicContact CD2-CG1 3.71Å |
| 354 | A | 91.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 160 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W12 I303 F352 F362 A363 | W12-A354 HydrophobicContact CG-CB 4.44Å; I303-A354 HydrophobicContact CD1-CB 3.77Å; I303-A354 HydrophobicContact CG2-CB 4.41Å; F352-A354 HydrophobicContact CE1-CB 4.05Å; F352-A354 HydrophobicContact CZ-CB 4.49Å; A354-F362 WeakPolarHBondContact O-CD2 3.42Å; A354-A363 PolarHBondContact N-O 3.4Å; A354-A363 PolarHBondContact O-N 3.11Å; A354-A363 VanDerWaalsContact O-O 3.04Å |
| 355 | V | 94.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 144 | 157.4 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | Y11 T361 F362 A384 | Y11-V355 HydrophobicContact CD1-CB 3.9Å; Y11-V355 HydrophobicContact CD1-CG2 4.22Å; Y11-V355 HydrophobicContact CE1-CB 3.42Å; Y11-V355 VanDerWaalsContact CE1-CB 3.42Å; Y11-V355 HydrophobicContact CE1-CG1 3.62Å; Y11-V355 HydrophobicContact CE1-CG2 3.82Å; Y11-V355 WeakPolarHBondContact OH-CG1 3.15Å; V355-T361 CarbonylContact C-O 3.38Å; V355-T361 WeakPolarHBondContact CA-O 3.45Å; V355-T361 VanDerWaalsContact CG1-O 3.28Å; V355-T361 WeakPolarHBondContact CG1-O 3.29Å; V355-F362 HydrophobicContact CG2-CD2 4.21Å; V355-A384 HydrophobicContact CB-CB 4.46Å; V355-A384 HydrophobicContact CG1-CB 3.96Å; V355-A384 HydrophobicContact CG2-CB 3.73Å |
| 356 | G | 89.3 | Confident | 92.1 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | trans | -78.4 | -169.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N304 D358 T361 | N304-G356 VanDerWaalsContact OD1-CA 3.28Å; N304-G356 WeakPolarHBondContact OD1-CA 3.41Å; G356-D358 PolarHBondContact O-N 3.33Å; G356-T361 VanDerWaalsContact CA-OG1 3.32Å; G356-T361 WeakPolarHBondContact CA-OG1 3.43Å; G356-T361 PolarHBondContact N-O 3.33Å; G356-T361 PolarHBondContact N-OG1 2.81Å | ||
| 357 | R | 89.5 | Confident | 92 | Very high | 167 Ų | 167 | 34.8 Ų | 34.8 | 63% | 0.63 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -60 | -29.7 | 172.9 | -75.3 | 166.8 | -178.6 | 171.1 | 3.2 | 112.8 | N304 E308 | N304-R357 PolarHBondContact OD1-N 2.97Å; E308-R357 VanDerWaalsContact CD-NH1 3.26Å; E308-R357 VanDerWaalsContact OE1-CD 3.24Å; E308-R357 WeakPolarHBondContact OE1-CD 3.11Å; E308-R357 IonicContact OE1-CZ 2.65Å; E308-R357 IonicContact OE1-NE 2.64Å; E308-R357 IonicContact OE1-NH1 3.24Å; E308-R357 PolarHBondContact OE1-NH1 3.06Å; E308-R357 IonicContact OE2-NH1 3.5Å; E308-R357 PolarHBondContact OE2-NH1 3.5Å; E308-R357 VanDerWaalsContact OE2-NH1 3.1Å |
| 358 | D | 89.6 | Confident | 91.7 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 34% | 0.337 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -95.4 | 130.6 | 170.6 | -172.3 | -29.5 | 0 | 0 | 0 | 110 | G356 H360 T361 W379 | G356-D358 PolarHBondContact O-N 3.33Å; D358-H360 PolarHBondContact O-N 2.88Å; D358-H360 VanDerWaalsContact O-N 3.12Å; D358-H360 IonicContact OD1-CE1 2.74Å; D358-H360 IonicContact OD1-CG 3.07Å; D358-H360 PolarHBondContact OD1-N 3.39Å; D358-H360 IonicContact OD1-ND1 2.97Å; D358-H360 PolarHBondContact OD1-ND1 3.15Å; D358-H360 IonicContact OD2-ND1 2.71Å; D358-T361 HydrophobicContact CB-CG2 3.9Å; D358-T361 PolarHBondContact O-N 3.18Å; D358-T361 PolarHBondContact O-OG1 2.92Å; D358-W379 WeakPolarHBondContact OD2-CH2 3.49Å |
| 359 | V | 92 | Very high | 91.4 | Very high | 64 Ų | 64 | 31.6 Ų | 31.6 | 39% | 0.388 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.3 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | N383 A384 | V359-N383 HydrophobicContact CB-CB 4.43Å; V359-N383 HydrophobicContact CG2-CB 4.35Å; V359-N383 WeakPolarHBondContact O-CB 3.41Å; V359-A384 VanDerWaalsContact O-CB 3.27Å; V359-A384 WeakPolarHBondContact O-CB 3.44Å; V359-A384 PolarHBondContact O-N 3.43Å |
| 360 | H | 93.3 | Very high | 91 | Very high | 49 Ų | 49 | 34.6 Ų | 34.6 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.7 | 175.5 | -50.1 | 88.8 | 0 | 0 | 0 | 112.6 | D358 W379 C380 E381 P382 | D358-H360 PolarHBondContact O-N 2.88Å; D358-H360 VanDerWaalsContact O-N 3.12Å; D358-H360 IonicContact OD1-CE1 2.74Å; D358-H360 IonicContact OD1-CG 3.07Å; D358-H360 PolarHBondContact OD1-N 3.39Å; D358-H360 IonicContact OD1-ND1 2.97Å; D358-H360 PolarHBondContact OD1-ND1 3.15Å; D358-H360 IonicContact OD2-ND1 2.71Å; H360-W379 HydrophobicContact CB-CD2 3.88Å; H360-W379 VanDerWaalsContact CB-CE2 3.45Å; H360-W379 HydrophobicContact CB-CE3 4.23Å; H360-W379 HydrophobicContact CB-CH2 3.79Å; H360-W379 HydrophobicContact CB-CZ2 3.41Å; H360-W379 VanDerWaalsContact CB-CZ2 3.41Å; H360-W379 HydrophobicContact CB-CZ3 4.19Å; H360-W379 AromaticContact CG-CE2 3.98Å; H360-W379 AromaticContact CG-CZ2 3.55Å; H360-W379 AromaticContact ND1-CZ2 3.85Å; H360-C380 WeakPolarHBondContact CB-O 3.49Å; H360-C380 PolarHBondContact O-N 2.77Å; H360-E381 IonicContact CD2-OE2 3.31Å; H360-P382 PolarHBondContact CD2-O 2.88Å; H360-P382 PolarHBondContact NE2-O 3.38Å |
| 361 | T | 94.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.6 | -173.3 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | L311 V355 G356 D358 W379 | L311-T361 HydrophobicContact CD1-CG2 3.87Å; V355-T361 CarbonylContact C-O 3.38Å; V355-T361 WeakPolarHBondContact CA-O 3.45Å; V355-T361 VanDerWaalsContact CG1-O 3.28Å; V355-T361 WeakPolarHBondContact CG1-O 3.29Å; G356-T361 VanDerWaalsContact CA-OG1 3.32Å; G356-T361 WeakPolarHBondContact CA-OG1 3.43Å; G356-T361 PolarHBondContact N-O 3.33Å; G356-T361 PolarHBondContact N-OG1 2.81Å; D358-T361 HydrophobicContact CB-CG2 3.9Å; D358-T361 PolarHBondContact O-N 3.18Å; D358-T361 PolarHBondContact O-OG1 2.92Å; T361-W379 HydrophobicContact CG2-CE3 3.76Å; T361-W379 HydrophobicContact CG2-CZ3 3.76Å |
| 362 | F | 97.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.5 | 178 | -179.5 | -115.6 | 0 | 0 | 0 | 110.7 | W12 L353 A354 V355 F364 F378 A384 L387 S388 V391 | W12-F362 HydrophobicContact CZ2-CE2 4.49Å; L353-F362 HydrophobicContact CD1-CE2 3.31Å; L353-F362 HydrophobicContact CD1-CZ 3.42Å; L353-F362 VanDerWaalsContact CD1-CZ 3.42Å; A354-F362 WeakPolarHBondContact O-CD2 3.42Å; V355-F362 HydrophobicContact CG2-CD2 4.21Å; F362-F364 HydrophobicContact CE1-CD1 4.03Å; F362-F364 HydrophobicContact CZ-CD1 4.5Å; F362-F378 HydrophobicContact CB-CB 4.4Å; F362-F378 AromaticContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CE2 4.45Å; F362-F378 HydrophobicContact CD1-CG 4.46Å; F362-F378 HydrophobicContact CE1-CD2 4.46Å; F362-F378 PolarHBondContact N-O 2.76Å; F362-F378 PolarHBondContact O-N 2.84Å; F362-A384 HydrophobicContact CB-CB 3.92Å; F362-L387 HydrophobicContact CD1-CD2 3.56Å; F362-L387 HydrophobicContact CD1-CG 3.87Å; F362-L387 HydrophobicContact CE1-CD2 3.94Å; F362-L387 HydrophobicContact CE1-CG 3.83Å; F362-L387 HydrophobicContact CG-CD2 4.4Å; F362-S388 VanDerWaalsContact CE2-CA 3.49Å; F362-V391 HydrophobicContact CE1-CG2 4.2Å; F362-V391 HydrophobicContact CZ-CB 4.11Å; F362-V391 HydrophobicContact CZ-CG1 4.4Å; F362-V391 HydrophobicContact CZ-CG2 4.11Å |
| 363 | A | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I303 L307 A354 H376 M377 | I303-A363 HydrophobicContact CB-CB 4.5Å; I303-A363 HydrophobicContact CD1-CB 4.23Å; I303-A363 HydrophobicContact CG1-CB 4.13Å; I303-A363 HydrophobicContact CG2-CB 3.76Å; L307-A363 HydrophobicContact CD1-CB 4.31Å; L307-A363 HydrophobicContact CG-CB 4.44Å; A354-A363 PolarHBondContact N-O 3.4Å; A354-A363 PolarHBondContact O-N 3.11Å; A354-A363 VanDerWaalsContact O-O 3.04Å; A363-H376 CarbonylContact C-O 3.57Å; A363-H376 WeakPolarHBondContact CA-O 3.26Å; A363-H376 WeakPolarHBondContact CB-O 3.27Å; A363-M377 HydrophobicContact CB-CG 3.89Å |
| 364 | F | 96.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143.6 | 169.7 | 60.6 | -107.3 | 0 | 0 | 0 | 112.4 | L331 C345 L350 F352 L353 F362 M366 C375 H376 F378 | L331-F364 HydrophobicContact CD1-CD1 4.2Å; L331-F364 HydrophobicContact CD1-CE1 3.65Å; L331-F364 HydrophobicContact CD1-CZ 3.89Å; C345-F364 HydrophobicContact CB-CE2 3.7Å; C345-F364 HydrophobicContact CB-CZ 3.78Å; L350-F364 HydrophobicContact CD2-CB 3.85Å; L350-F364 HydrophobicContact CD2-CD1 4.37Å; L350-F364 HydrophobicContact CD2-CD2 3.26Å; L350-F364 HydrophobicContact CD2-CE2 3.84Å; L350-F364 HydrophobicContact CD2-CG 3.58Å; F352-F364 CarbonylContact O-C 3.58Å; F352-F364 WeakPolarHBondContact O-CA 3.37Å; L353-F364 HydrophobicContact CB-CB 3.83Å; F362-F364 HydrophobicContact CE1-CD1 4.03Å; F362-F364 HydrophobicContact CZ-CD1 4.5Å; F364-M366 HydrophobicContact CE2-SD 4.43Å; F364-C375 CarbonylContact O-C 3.56Å; F364-C375 VanDerWaalsContact O-CA 3.32Å; F364-C375 WeakPolarHBondContact O-CA 3.25Å; F364-H376 HydrophobicContact CD2-CB 4.11Å; F364-H376 HydrophobicContact CE1-CB 4.35Å; F364-H376 HydrophobicContact CE2-CB 3.65Å; F364-H376 AromaticContact CE2-CD2 3.72Å; F364-H376 AromaticContact CE2-CG 3.78Å; F364-H376 HydrophobicContact CZ-CB 3.78Å; F364-H376 PolarHBondContact N-O 3.32Å; F364-H376 PolarHBondContact O-N 3.36Å; F364-F378 AromaticContact CD1-CE2 3.89Å; F364-F378 HydrophobicContact CD1-CE2 3.89Å; F364-F378 AromaticContact CE1-CE2 3.41Å; F364-F378 HydrophobicContact CE1-CE2 3.41Å; F364-F378 VanDerWaalsContact CE1-CE2 3.41Å; F364-F378 AromaticContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CZ-CE2 4.05Å; F364-F378 HydrophobicContact CZ-CZ 4.03Å |
| 365 | I | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.8 | 172.9 | -54.1 | 179.7 | 0 | 0 | 0 | 108.2 | V294 V302 I303 S351 F352 F373 C374 C375 | V294-I365 HydrophobicContact CG2-CD1 4.11Å; V294-I365 HydrophobicContact CG2-CG1 4.23Å; V294-I365 HydrophobicContact CG2-CG2 3.71Å; V302-I365 HydrophobicContact CB-CD1 4.2Å; V302-I365 HydrophobicContact CG1-CD1 3.87Å; I303-I365 HydrophobicContact CD1-CG1 4.33Å; I303-I365 HydrophobicContact CG1-CD1 4.18Å; I303-I365 HydrophobicContact CG1-CG1 4.02Å; S351-I365 PolarHBondContact N-O 3.41Å; S351-I365 PolarHBondContact OG-O 3.01Å; F352-I365 HydrophobicContact CB-CB 4.28Å; F352-I365 HydrophobicContact CB-CD1 4.24Å; F352-I365 HydrophobicContact CB-CG1 4.44Å; F352-I365 HydrophobicContact CD1-CD1 4.43Å; F352-I365 PolarHBondContact N-O 3.43Å; F352-I365 PolarHBondContact O-N 3.5Å; I365-F373 HydrophobicContact CG2-CB 3.78Å; I365-C374 CarbonylContact C-O 3.59Å; I365-C374 WeakPolarHBondContact CA-O 3.46Å; I365-C375 HydrophobicContact CG1-CB 4.3Å |
| 366 | M | 92.4 | Very high | 91.2 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146.3 | 170.3 | 61.6 | 176.6 | -83.9 | 0 | 0 | 112.1 | C345 F349 F364 A368 F373 C374 H376 | C345-M366 HydrophobicContact CB-SD 3.7Å; F349-M366 CarbonylContact O-C 3.54Å; F349-M366 WeakPolarHBondContact O-CA 3.35Å; F364-M366 HydrophobicContact CE2-SD 4.43Å; M366-A368 PolarHBondContact O-N 3.44Å; M366-F373 CarbonylContact O-C 3.5Å; M366-F373 WeakPolarHBondContact O-CA 3.25Å; M366-C374 HydrophobicContact CG-CB 4.42Å; M366-C374 PolarHBondContact N-O 3.39Å; M366-C374 PolarHBondContact O-N 3.35Å; M366-H376 PolarHBondContact SD-NE2 3.06Å; M366-H376 VanDerWaalsContact SD-NE2 3.44Å |
| 367 | A | 87.1 | Confident | 91.5 | Very high | 29 Ų | 29 | 41 Ų | 41 | 24% | 0.24 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 116.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F349 F373 | F349-A367 PolarHBondContact O-N 3.48Å; A367-F373 HydrophobicContact CB-CD1 4.1Å; A367-F373 HydrophobicContact CB-CE1 4.23Å |
| 368 | A | 83.4 | Confident | 91.9 | Very high | 69 Ų | 69 | 33 Ų | 33 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90 | -23.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M366 S372 | M366-A368 PolarHBondContact O-N 3.44Å; A368-S372 PolarHBondContact N-O 2.85Å |
| 369 | G | 80.1 | Confident | 92.2 | Very high | 30 Ų | 30 | 31 Ų | 31 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | -173.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A371 S372 | G369-A371 PolarHBondContact O-N 2.81Å; G369-A371 VanDerWaalsContact O-N 3.13Å; G369-S372 PolarHBondContact N-O 2.99Å; G369-S372 PolarHBondContact O-N 2.91Å |
| 370 | P | 80.4 | Confident | 92.3 | Very high | 137 Ų | 137 | 28.1 Ų | 28.1 | 89% | 0.89 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 118.1 | 174.9 | -23.3 | 34.3 | 0 | 0 | 0 | 110.9 | S372 | P370-S372 PolarHBondContact O-N 2.97Š|
| 371 | A | 83.9 | Confident | 92.2 | Very high | 94 Ų | 94 | 30.2 Ų | 30.2 | 78% | 0.777 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 18.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | G369 | G369-A371 PolarHBondContact O-N 2.81Å; G369-A371 VanDerWaalsContact O-N 3.13Å |
| 372 | S | 91.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | A368 G369 P370 | A368-S372 PolarHBondContact N-O 2.85Å; G369-S372 PolarHBondContact N-O 2.99Å; G369-S372 PolarHBondContact O-N 2.91Å; P370-S372 PolarHBondContact O-N 2.97Å |
| 373 | F | 92.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.1 | -174.5 | -45.8 | -74.7 | 0 | 0 | 0 | 110.7 | P293 V294 P297 I365 M366 A367 | P293-F373 WeakPolarHBondContact CA-O 3.37Å; V294-F373 HydrophobicContact CG2-CB 3.84Å; V294-F373 PolarHBondContact N-O 3.14Å; P297-F373 HydrophobicContact CB-CD1 3.87Å; P297-F373 HydrophobicContact CB-CE1 3.64Å; P297-F373 HydrophobicContact CB-CE2 4.36Å; P297-F373 HydrophobicContact CB-CG 4.35Å; P297-F373 HydrophobicContact CB-CZ 3.89Å; P297-F373 HydrophobicContact CG-CE1 4.32Å; P297-F373 HydrophobicContact CG-CE2 4.41Å; P297-F373 HydrophobicContact CG-CZ 4.08Å; I365-F373 HydrophobicContact CG2-CB 3.78Å; M366-F373 CarbonylContact O-C 3.5Å; M366-F373 WeakPolarHBondContact O-CA 3.25Å; A367-F373 HydrophobicContact CB-CD1 4.1Å; A367-F373 HydrophobicContact CB-CE1 4.23Å |
| 374 | C | 95.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.3 | -177.6 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | N291 V292 I365 M366 | N291-C374 PolarHBondContact OD1-SG 3.45Å; V292-C374 WeakPolarHBondContact O-CA 3.35Å; I365-C374 CarbonylContact C-O 3.59Å; I365-C374 WeakPolarHBondContact CA-O 3.46Å; M366-C374 HydrophobicContact CG-CB 4.42Å; M366-C374 PolarHBondContact N-O 3.39Å; M366-C374 PolarHBondContact O-N 3.35Å |
| 375 | C | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.5 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | N291 V292 V294 A306 F364 I365 | N291-C375 CarbonylContact C-O 3.55Å; N291-C375 WeakPolarHBondContact CA-O 3.31Å; N291-C375 WeakPolarHBondContact CB-O 3.42Å; V292-C375 HydrophobicContact CG2-CB 4.19Å; V292-C375 PolarHBondContact N-O 3.44Å; V292-C375 PolarHBondContact O-N 2.86Å; V294-C375 HydrophobicContact CG1-CB 3.66Å; V294-C375 HydrophobicContact CG2-CB 4.25Å; A306-C375 HydrophobicContact CB-CB 4.33Å; F364-C375 CarbonylContact O-C 3.56Å; F364-C375 VanDerWaalsContact O-CA 3.32Å; F364-C375 WeakPolarHBondContact O-CA 3.25Å; I365-C375 HydrophobicContact CG1-CB 4.3Å |
| 376 | H | 97.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 7% | 0.069 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.5 | 171.7 | -68.8 | -102 | 0 | 0 | 0 | 109.9 | Y288 N291 A363 F364 M366 F378 | Y288-H376 HydrophobicContact CE2-CB 4.41Å; Y288-H376 AromaticContact CZ-ND1 3.9Å; Y288-H376 PolarHBondContact OH-ND1 3.03Å; N291-H376 HydrophobicContact CB-CB 4.5Å; A363-H376 CarbonylContact C-O 3.57Å; A363-H376 WeakPolarHBondContact CA-O 3.26Å; A363-H376 WeakPolarHBondContact CB-O 3.27Å; F364-H376 HydrophobicContact CD2-CB 4.11Å; F364-H376 HydrophobicContact CE1-CB 4.35Å; F364-H376 HydrophobicContact CE2-CB 3.65Å; F364-H376 AromaticContact CE2-CD2 3.72Å; F364-H376 AromaticContact CE2-CG 3.78Å; F364-H376 HydrophobicContact CZ-CB 3.78Å; F364-H376 PolarHBondContact N-O 3.32Å; F364-H376 PolarHBondContact O-N 3.36Å; M366-H376 PolarHBondContact SD-NE2 3.06Å; M366-H376 VanDerWaalsContact SD-NE2 3.44Å; H376-F378 HydrophobicContact CB-CE2 3.89Å; H376-F378 HydrophobicContact CB-CZ 4.01Å |
| 377 | M | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.7 | -168.6 | -67.1 | 166.7 | -70.4 | 0 | 0 | 112.2 | Y288 L289 G290 V292 A306 L307 V310 A363 | Y288-M377 VanDerWaalsContact CD2-O 3.3Å; Y288-M377 WeakPolarHBondContact CD2-O 3.25Å; L289-M377 HydrophobicContact CB-CB 3.9Å; L289-M377 WeakPolarHBondContact CB-O 3.4Å; L289-M377 HydrophobicContact CD1-CB 4.2Å; L289-M377 PolarHBondContact N-O 2.91Å; G290-M377 PolarHBondContact O-N 2.83Å; V292-M377 HydrophobicContact CB-CE 4.33Å; V292-M377 HydrophobicContact CG1-CE 3.93Å; V292-M377 HydrophobicContact CG2-CE 3.71Å; A306-M377 HydrophobicContact CB-SD 3.71Å; L307-M377 HydrophobicContact CD2-CB 3.78Å; L307-M377 HydrophobicContact CD2-CG 3.71Å; L307-M377 HydrophobicContact CD2-SD 4.04Å; L307-M377 HydrophobicContact CG-CG 4.16Å; L307-M377 HydrophobicContact CG-SD 4.19Å; V310-M377 HydrophobicContact CG2-CE 3.63Å; V310-M377 HydrophobicContact CG2-SD 4.15Å; A363-M377 HydrophobicContact CB-CG 3.89Å |
| 378 | F | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.7 | -171.5 | -49.7 | -91.5 | 0 | 0 | 0 | 111.1 | V286 Y287 Y288 V324 I333 F362 F364 H376 | V286-F378 HydrophobicContact CG2-CD1 3.99Å; Y287-F378 CarbonylContact O-C 3.52Å; Y287-F378 WeakPolarHBondContact O-CA 3.21Å; Y288-F378 AromaticContact CD2-CD1 3.81Å; Y288-F378 HydrophobicContact CD2-CD1 3.81Å; Y288-F378 AromaticContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CE1 3.51Å; Y288-F378 HydrophobicContact CD2-CZ 4.13Å; Y288-F378 AromaticContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CE1 3.97Å; Y288-F378 HydrophobicContact CE2-CZ 4.16Å; Y288-F378 HydrophobicContact CG-CE1 4.41Å; V324-F378 HydrophobicContact CG2-CD1 3.8Å; V324-F378 HydrophobicContact CG2-CE1 3.52Å; V324-F378 HydrophobicContact CG2-CZ 4.27Å; I333-F378 HydrophobicContact CD1-CE1 3.82Å; I333-F378 HydrophobicContact CD1-CZ 3.67Å; I333-F378 HydrophobicContact CG1-CE1 4.04Å; I333-F378 HydrophobicContact CG1-CZ 4.12Å; I333-F378 HydrophobicContact CG2-CE1 4.15Å; F362-F378 HydrophobicContact CB-CB 4.4Å; F362-F378 AromaticContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CD2 3.79Å; F362-F378 HydrophobicContact CD1-CE2 4.45Å; F362-F378 HydrophobicContact CD1-CG 4.46Å; F362-F378 HydrophobicContact CE1-CD2 4.46Å; F362-F378 PolarHBondContact N-O 2.76Å; F362-F378 PolarHBondContact O-N 2.84Å; F364-F378 AromaticContact CD1-CE2 3.89Å; F364-F378 HydrophobicContact CD1-CE2 3.89Å; F364-F378 AromaticContact CE1-CE2 3.41Å; F364-F378 HydrophobicContact CE1-CE2 3.41Å; F364-F378 VanDerWaalsContact CE1-CE2 3.41Å; F364-F378 AromaticContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CE1-CZ 3.72Å; F364-F378 HydrophobicContact CZ-CE2 4.05Å; F364-F378 HydrophobicContact CZ-CZ 4.03Å; H376-F378 HydrophobicContact CB-CE2 3.89Å; H376-F378 HydrophobicContact CB-CZ 4.01Å |
| 379 | W | 96.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.6 | 165.8 | -175.5 | -78.2 | 0 | 0 | 0 | 109.9 | V286 Y287 L289 L311 W319 D358 H360 T361 E381 | V286-W379 CarbonylContact C-O 3.57Å; V286-W379 WeakPolarHBondContact CA-O 3.37Å; V286-W379 WeakPolarHBondContact CB-O 3.34Å; Y287-W379 PolarHBondContact N-O 2.99Å; Y287-W379 PolarHBondContact O-N 3.03Å; L289-W379 HydrophobicContact CD1-CB 4.48Å; L289-W379 HydrophobicContact CD2-CB 4.23Å; L311-W379 HydrophobicContact CD2-CE3 4.28Å; L311-W379 HydrophobicContact CD2-CZ3 4.44Å; W319-W379 HydrophobicContact CE3-CB 3.95Å; W319-W379 HydrophobicContact CE3-CD2 4.45Å; W319-W379 HydrophobicContact CE3-CG 4.07Å; W319-W379 AromaticContact CH2-CD2 3.86Å; W319-W379 HydrophobicContact CH2-CD2 3.86Å; W319-W379 AromaticContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CE3 3.58Å; W319-W379 HydrophobicContact CH2-CG 4.34Å; W319-W379 HydrophobicContact CH2-CZ3 4.06Å; W319-W379 HydrophobicContact CZ3-CB 3.79Å; W319-W379 AromaticContact CZ3-CD2 3.43Å; W319-W379 HydrophobicContact CZ3-CD2 3.43Å; W319-W379 VanDerWaalsContact CZ3-CD2 3.43Å; W319-W379 AromaticContact CZ3-CE3 3.66Å; W319-W379 HydrophobicContact CZ3-CE3 3.66Å; W319-W379 AromaticContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CG 3.48Å; W319-W379 VanDerWaalsContact CZ3-CG 3.48Å; W319-W379 HydrophobicContact CZ3-CZ3 4.47Å; D358-W379 WeakPolarHBondContact OD2-CH2 3.49Å; H360-W379 HydrophobicContact CB-CD2 3.88Å; H360-W379 VanDerWaalsContact CB-CE2 3.45Å; H360-W379 HydrophobicContact CB-CE3 4.23Å; H360-W379 HydrophobicContact CB-CH2 3.79Å; H360-W379 HydrophobicContact CB-CZ2 3.41Å; H360-W379 VanDerWaalsContact CB-CZ2 3.41Å; H360-W379 HydrophobicContact CB-CZ3 4.19Å; H360-W379 AromaticContact CG-CE2 3.98Å; H360-W379 AromaticContact CG-CZ2 3.55Å; H360-W379 AromaticContact ND1-CZ2 3.85Å; T361-W379 HydrophobicContact CG2-CE3 3.76Å; T361-W379 HydrophobicContact CG2-CZ3 3.76Å; W379-E381 PolarHBondContact NE1-OE1 3.34Å |
| 380 | C | 94.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.3 | -169.8 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | V286 H360 N383 A384 | V286-C380 HydrophobicContact CG1-CB 4.27Å; V286-C380 VanDerWaalsContact CG1-SG 3.52Å; H360-C380 WeakPolarHBondContact CB-O 3.49Å; H360-C380 PolarHBondContact O-N 2.77Å; C380-N383 VanDerWaalsContact CB-O 3.31Å; C380-N383 WeakPolarHBondContact CB-O 3.09Å; C380-N383 CarbonylContact O-C 3.54Å; C380-N383 WeakPolarHBondContact O-CA 3.45Å; C380-N383 PolarHBondContact O-N 3.02Å; C380-A384 HydrophobicContact CB-CB 4.23Å |
| 381 | E | 89.6 | Confident | 92.3 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -111.4 | 135.1 | 176.8 | -67.4 | -68.2 | 171.3 | 0 | 0 | 109.6 | R316 H360 W379 N383 | R316-E381 IonicContact CZ-OE1 2.84Å; R316-E381 IonicContact NH1-OE1 3.77Å; R316-E381 IonicContact NH2-OE1 3.75Å; R316-E381 PolarHBondContact NH2-OE1 3.44Å; H360-E381 IonicContact CD2-OE2 3.31Å; W379-E381 PolarHBondContact NE1-OE1 3.34Å; E381-N383 VanDerWaalsContact C-N 3.33Å |
| 382 | P | 89.6 | Confident | 92.4 | Very high | 102 Ų | 102 | 35.5 Ų | 35.5 | 66% | 0.662 | 20% | 0.202 | S | C | * | . | S | Bend | cis | -82.5 | -0.6 | -1.1 | 35.8 | -37.4 | 0 | 0 | 0 | 114 | H360 | H360-P382 PolarHBondContact CD2-O 2.88Å; H360-P382 PolarHBondContact NE2-O 3.38Å |
| 383 | N | 92.5 | Very high | 92.1 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | trans | -173.2 | 176.4 | 167.8 | 55.9 | 79.7 | 0 | 0 | 0 | 109.8 | V359 C380 E381 A385 | V359-N383 HydrophobicContact CB-CB 4.43Å; V359-N383 HydrophobicContact CG2-CB 4.35Å; V359-N383 WeakPolarHBondContact O-CB 3.41Å; C380-N383 VanDerWaalsContact CB-O 3.31Å; C380-N383 WeakPolarHBondContact CB-O 3.09Å; C380-N383 CarbonylContact O-C 3.54Å; C380-N383 WeakPolarHBondContact O-CA 3.45Å; C380-N383 PolarHBondContact O-N 3.02Å; E381-N383 VanDerWaalsContact C-N 3.33Å; N383-A385 PolarHBondContact O-N 2.68Å; N383-A385 WeakPolarHBondContact OD1-CB 3.32Å; N383-A385 PolarHBondContact OD1-N 3.05Å | ||
| 384 | A | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -74.4 | -12.3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | V355 V359 F362 C380 S386 L387 S388 | V355-A384 HydrophobicContact CB-CB 4.46Å; V355-A384 HydrophobicContact CG1-CB 3.96Å; V355-A384 HydrophobicContact CG2-CB 3.73Å; V359-A384 VanDerWaalsContact O-CB 3.27Å; V359-A384 WeakPolarHBondContact O-CB 3.44Å; V359-A384 PolarHBondContact O-N 3.43Å; F362-A384 HydrophobicContact CB-CB 3.92Å; C380-A384 HydrophobicContact CB-CB 4.23Å; A384-S386 PolarHBondContact O-N 2.84Å; A384-L387 PolarHBondContact O-N 3.13Å; A384-S388 VanDerWaalsContact O-CB 3.26Å; A384-S388 WeakPolarHBondContact O-CB 3.49Å; A384-S388 PolarHBondContact O-N 2.87Å; A384-S388 PolarHBondContact O-OG 3.44Å |
| 385 | A | 85.9 | Confident | 91.3 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 40% | 0.397 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -53.7 | -56 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N383 L387 S388 E389 | N383-A385 PolarHBondContact O-N 2.68Å; N383-A385 WeakPolarHBondContact OD1-CB 3.32Å; N383-A385 PolarHBondContact OD1-N 3.05Å; A385-L387 PolarHBondContact O-N 3.38Å; A385-S388 PolarHBondContact O-N 2.82Å; A385-S388 VanDerWaalsContact O-N 3.14Å; A385-S388 PolarHBondContact O-OG 3.04Å; A385-E389 WeakPolarHBondContact O-CB 3.44Å; A385-E389 PolarHBondContact O-N 3.35Å |
| 386 | S | 89.4 | Confident | 90.7 | Very high | 70 Ų | 70 | 38.5 Ų | 38.5 | 49% | 0.49 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.8 | -39.1 | -173.2 | -48.9 | 0 | 0 | 0 | 0 | 114.1 | A384 A390 | A384-S386 PolarHBondContact O-N 2.84Å; S386-A390 WeakPolarHBondContact O-CB 3.23Å; S386-A390 PolarHBondContact O-N 3.19Å |
| 387 | L | 92.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 173.1 | 172.6 | 59.5 | 0 | 0 | 0 | 110.2 | F284 V286 V324 V326 F362 A384 A385 E389 A390 V391 | F284-L387 HydrophobicContact CB-CB 4.3Å; F284-L387 HydrophobicContact CB-CD1 4.18Å; F284-L387 HydrophobicContact CD1-CB 4.26Å; F284-L387 HydrophobicContact CD2-CB 4.39Å; F284-L387 HydrophobicContact CD2-CD1 3.58Å; F284-L387 HydrophobicContact CE2-CD1 4.23Å; F284-L387 HydrophobicContact CG-CB 4.04Å; F284-L387 HydrophobicContact CG-CD1 3.96Å; V286-L387 HydrophobicContact CG1-CD2 3.85Å; V324-L387 HydrophobicContact CB-CD1 4.05Å; V324-L387 HydrophobicContact CB-CD2 4.46Å; V324-L387 HydrophobicContact CG1-CD1 3.76Å; V324-L387 HydrophobicContact CG2-CD2 4.42Å; V326-L387 HydrophobicContact CG2-CD1 3.8Å; F362-L387 HydrophobicContact CD1-CD2 3.56Å; F362-L387 HydrophobicContact CD1-CG 3.87Å; F362-L387 HydrophobicContact CE1-CD2 3.94Å; F362-L387 HydrophobicContact CE1-CG 3.83Å; F362-L387 HydrophobicContact CG-CD2 4.4Å; A384-L387 PolarHBondContact O-N 3.13Å; A385-L387 PolarHBondContact O-N 3.38Å; L387-E389 PolarHBondContact O-N 2.99Å; L387-A390 PolarHBondContact O-N 2.9Å; L387-V391 HydrophobicContact CD1-CG2 3.97Å; L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 2.76Å |
| 388 | S | 92 | Very high | 89 | Confident | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | -178.3 | 84.8 | 0 | 0 | 0 | 0 | 111.4 | W12 F362 A384 A385 V391 Q392 | W12-S388 VanDerWaalsContact CH2-O 3.25Å; W12-S388 WeakPolarHBondContact CH2-O 3.36Å; W12-S388 WeakPolarHBondContact CZ2-O 3.44Å; F362-S388 VanDerWaalsContact CE2-CA 3.49Å; A384-S388 VanDerWaalsContact O-CB 3.26Å; A384-S388 WeakPolarHBondContact O-CB 3.49Å; A384-S388 PolarHBondContact O-N 2.87Å; A384-S388 PolarHBondContact O-OG 3.44Å; A385-S388 PolarHBondContact O-N 2.82Å; A385-S388 VanDerWaalsContact O-N 3.14Å; A385-S388 PolarHBondContact O-OG 3.04Å; S388-V391 PolarHBondContact O-N 3.48Å; S388-Q392 PolarHBondContact O-N 2.75Å |
| 389 | E | 87.8 | Confident | 88 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 175.4 | -178.5 | 177.7 | -166.8 | 0 | 0 | 112.2 | A385 L387 V391 Q392 A393 | A385-E389 WeakPolarHBondContact O-CB 3.44Å; A385-E389 PolarHBondContact O-N 3.35Å; L387-E389 PolarHBondContact O-N 2.99Å; E389-V391 VanDerWaalsContact C-N 3.34Å; E389-V391 PolarHBondContact O-N 3.06Å; E389-Q392 WeakPolarHBondContact O-CA 3.44Å; E389-Q392 VanDerWaalsContact O-CB 3.25Å; E389-Q392 WeakPolarHBondContact O-CB 3.28Å; E389-Q392 PolarHBondContact O-N 2.64Å; E389-Q392 VanDerWaalsContact O-N 3.11Å; E389-A393 PolarHBondContact O-N 3.1Å |
| 390 | A | 90.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F284 V326 S386 L387 A393 A394 | F284-A390 HydrophobicContact CE2-CB 3.45Å; F284-A390 VanDerWaalsContact CE2-CB 3.45Å; F284-A390 HydrophobicContact CZ-CB 3.4Å; F284-A390 VanDerWaalsContact CZ-CB 3.4Å; V326-A390 HydrophobicContact CG1-CB 4.21Å; V326-A390 HydrophobicContact CG2-CB 4.38Å; S386-A390 WeakPolarHBondContact O-CB 3.23Å; S386-A390 PolarHBondContact O-N 3.19Å; L387-A390 PolarHBondContact O-N 2.9Å; A390-A393 PolarHBondContact O-N 2.89Å; A390-A394 PolarHBondContact O-N 3.46Å |
| 391 | V | 93.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 172.4 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | V326 L331 L350 L353 F362 L387 S388 E389 A393 A394 C395 | V326-V391 HydrophobicContact CG2-CG2 4.03Å; L331-V391 HydrophobicContact CD1-CG1 3.95Å; L331-V391 HydrophobicContact CD1-CG2 3.94Å; L331-V391 HydrophobicContact CD2-CG2 4.11Å; L350-V391 HydrophobicContact CD1-CG1 4.16Å; L353-V391 HydrophobicContact CD1-CG1 4.28Å; L353-V391 HydrophobicContact CD2-CG1 3.71Å; F362-V391 HydrophobicContact CE1-CG2 4.2Å; F362-V391 HydrophobicContact CZ-CB 4.11Å; F362-V391 HydrophobicContact CZ-CG1 4.4Å; F362-V391 HydrophobicContact CZ-CG2 4.11Å; L387-V391 HydrophobicContact CD1-CG2 3.97Å; L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 2.76Å; S388-V391 PolarHBondContact O-N 3.48Å; E389-V391 VanDerWaalsContact C-N 3.34Å; E389-V391 PolarHBondContact O-N 3.06Å; V391-A393 PolarHBondContact O-N 3.2Å; V391-A394 PolarHBondContact O-N 3.33Å; V391-C395 PolarHBondContact O-N 3.13Å; V391-C395 PolarHBondContact O-SG 2.94Å; V391-C395 VanDerWaalsContact O-SG 3.35Å |
| 392 | Q | 86.9 | Confident | 85 | Confident | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.4 | -49.7 | 171.1 | -156.1 | 176.3 | -52.2 | 0 | 0 | 111.2 | W12 S388 E389 A394 C395 M396 | W12-Q392 HydrophobicContact CH2-CB 3.5Å; W12-Q392 HydrophobicContact CH2-CG 3.77Å; W12-Q392 HydrophobicContact CZ2-CB 4.47Å; W12-Q392 HydrophobicContact CZ3-CB 3.92Å; W12-Q392 HydrophobicContact CZ3-CG 3.66Å; S388-Q392 PolarHBondContact O-N 2.75Å; E389-Q392 WeakPolarHBondContact O-CA 3.44Å; E389-Q392 VanDerWaalsContact O-CB 3.25Å; E389-Q392 WeakPolarHBondContact O-CB 3.28Å; E389-Q392 PolarHBondContact O-N 2.64Å; E389-Q392 VanDerWaalsContact O-N 3.11Å; Q392-A394 VanDerWaalsContact C-N 3.35Å; Q392-A394 PolarHBondContact O-N 2.85Å; Q392-C395 WeakPolarHBondContact O-CB 3.28Å; Q392-C395 PolarHBondContact O-N 3.39Å; Q392-M396 HydrophobicContact CB-CE 4.45Å; Q392-M396 HydrophobicContact CG-CE 4.02Å; Q392-M396 HydrophobicContact CG-CG 4.47Å; Q392-M396 HydrophobicContact CG-SD 4.22Å; Q392-M396 WeakPolarHBondContact O-CG 3.32Å; Q392-M396 PolarHBondContact O-N 2.96Å |
| 393 | A | 85 | Confident | 83.9 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E389 A390 V391 C395 M396 L397 | E389-A393 PolarHBondContact O-N 3.1Å; A390-A393 PolarHBondContact O-N 2.89Å; V391-A393 PolarHBondContact O-N 3.2Å; A393-C395 PolarHBondContact O-N 3.29Å; A393-M396 PolarHBondContact O-N 2.69Å; A393-L397 WeakPolarHBondContact O-CB 3.34Å; A393-L397 VanDerWaalsContact O-CG 3.25Å; A393-L397 WeakPolarHBondContact O-CG 3.41Å; A393-L397 PolarHBondContact O-N 3.47Å |
| 394 | A | 86.6 | Confident | 82.7 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V326 V347 A390 V391 Q392 R398 | V326-A394 HydrophobicContact CG1-CB 4.1Å; V347-A394 HydrophobicContact CG2-CB 4.27Å; A390-A394 PolarHBondContact O-N 3.46Å; V391-A394 PolarHBondContact O-N 3.33Å; Q392-A394 VanDerWaalsContact C-N 3.35Å; Q392-A394 PolarHBondContact O-N 2.85Å; A394-R398 WeakPolarHBondContact O-CB 3.12Å; A394-R398 PolarHBondContact O-N 3.44Å |
| 395 | C | 85.4 | Confident | 81.3 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 174.8 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | L350 V391 Q392 A393 R398 Y399 | L350-C395 VanDerWaalsContact CD1-SG 3.56Å; V391-C395 PolarHBondContact O-N 3.13Å; V391-C395 PolarHBondContact O-SG 2.94Å; V391-C395 VanDerWaalsContact O-SG 3.35Å; Q392-C395 WeakPolarHBondContact O-CB 3.28Å; Q392-C395 PolarHBondContact O-N 3.39Å; A393-C395 PolarHBondContact O-N 3.29Å; C395-R398 PolarHBondContact O-N 2.95Å; C395-Y399 PolarHBondContact O-N 3.12Å |
| 396 | M | 82.6 | Confident | 79.9 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 51% | 0.507 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -46.5 | -179.7 | -68.6 | -173.8 | -58.6 | 0 | 0 | 112.1 | Q392 A393 R398 Y399 Q400 | Q392-M396 HydrophobicContact CB-CE 4.45Å; Q392-M396 HydrophobicContact CG-CE 4.02Å; Q392-M396 HydrophobicContact CG-CG 4.47Å; Q392-M396 HydrophobicContact CG-SD 4.22Å; Q392-M396 WeakPolarHBondContact O-CG 3.32Å; Q392-M396 PolarHBondContact O-N 2.96Å; A393-M396 PolarHBondContact O-N 2.69Å; M396-R398 PolarHBondContact O-N 2.9Å; M396-Y399 PolarHBondContact O-N 2.71Å; M396-Q400 PolarHBondContact O-N 3.45Å |
| 397 | L | 81.1 | Confident | 77.8 | Confident | 97 Ų | 97 | 68.1 Ų | 68.1 | 51% | 0.508 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 175.3 | -73.4 | 170.6 | 0 | 0 | 0 | 112.1 | A393 K401 | A393-L397 WeakPolarHBondContact O-CB 3.34Å; A393-L397 VanDerWaalsContact O-CG 3.25Å; A393-L397 WeakPolarHBondContact O-CG 3.41Å; A393-L397 PolarHBondContact O-N 3.47Å; L397-K401 WeakPolarHBondContact O-CG 3.34Å; L397-K401 PolarHBondContact O-N 3.35Å |
| 398 | R | 78.3 | Confident | 75.5 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 175 | -172.2 | 173.5 | -165.6 | 105.1 | 17.2 | 112.1 | A329 V347 A394 C395 M396 K401 C402 | A329-R398 PolarHBondContact O-NH1 3.14Å; V347-R398 HydrophobicContact CG1-CB 4.1Å; A394-R398 WeakPolarHBondContact O-CB 3.12Å; A394-R398 PolarHBondContact O-N 3.44Å; C395-R398 PolarHBondContact O-N 2.95Å; M396-R398 PolarHBondContact O-N 2.9Å; R398-K401 PolarHBondContact O-N 2.92Å; R398-C402 PolarHBondContact O-N 3.46Å; R398-C402 PolarHBondContact O-SG 3.42Å; R398-C402 VanDerWaalsContact O-SG 3.36Å |
| 399 | Y | 75.1 | Confident | 73.2 | Confident | 153 Ų | 153 | 78.3 Ų | 78.3 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 176.9 | 178.1 | -110.5 | 0 | 0 | 0 | 111.6 | C395 M396 K401 C402 L403 | C395-Y399 PolarHBondContact O-N 3.12Å; M396-Y399 PolarHBondContact O-N 2.71Å; Y399-K401 PolarHBondContact O-N 2.95Å; Y399-C402 WeakPolarHBondContact O-CB 3.28Å; Y399-C402 PolarHBondContact O-N 3.08Å; Y399-C402 VanDerWaalsContact O-N 3.09Å; Y399-L403 HydrophobicContact CD1-CD1 4.15Å; Y399-L403 HydrophobicContact CE1-CD1 3.56Å; Y399-L403 HydrophobicContact CE1-CG 4.16Å; Y399-L403 HydrophobicContact CE2-CD2 4.38Å; Y399-L403 HydrophobicContact CE2-CG 4.46Å; Y399-L403 PolarHBondContact O-N 3Å; Y399-L403 VanDerWaalsContact O-N 3.08Å |
| 400 | Q | 72.4 | Confident | 71.2 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 177.3 | -171.9 | 58.6 | 45.8 | 0 | 0 | 111.8 | M396 C402 L403 D404 | M396-Q400 PolarHBondContact O-N 3.45Å; Q400-C402 PolarHBondContact O-N 3.22Å; Q400-C402 VanDerWaalsContact O-N 3.16Å; Q400-L403 WeakPolarHBondContact O-CA 3.4Å; Q400-L403 WeakPolarHBondContact O-CB 3.33Å; Q400-L403 PolarHBondContact O-N 3.3Å; Q400-D404 PolarHBondContact NE2-OD1 3.41Å; Q400-D404 VanDerWaalsContact O-CG 3.26Å; Q400-D404 PolarHBondContact O-N 3.31Å |
| 401 | K | 74.1 | Confident | 69 | Low | 129 Ų | 129 | 82 Ų | 82 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.9 | -32.3 | 175.8 | -74.6 | 175.3 | 179.2 | -179.9 | 0 | 113.3 | L397 R398 Y399 A405 | L397-K401 WeakPolarHBondContact O-CG 3.34Å; L397-K401 PolarHBondContact O-N 3.35Å; R398-K401 PolarHBondContact O-N 2.92Å; Y399-K401 PolarHBondContact O-N 2.95Å; K401-A405 WeakPolarHBondContact O-CB 3.24Å; K401-A405 PolarHBondContact O-N 3.42Å; K401-A405 VanDerWaalsContact O-N 3.14Å |
| 402 | C | 70.6 | Confident | 66.2 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 52% | 0.52 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.2 | -34.3 | 174.3 | -67.1 | 0 | 0 | 0 | 0 | 112.8 | R398 Y399 Q400 R406 | R398-C402 PolarHBondContact O-N 3.46Å; R398-C402 PolarHBondContact O-SG 3.42Å; R398-C402 VanDerWaalsContact O-SG 3.36Å; Y399-C402 WeakPolarHBondContact O-CB 3.28Å; Y399-C402 PolarHBondContact O-N 3.08Å; Y399-C402 VanDerWaalsContact O-N 3.09Å; Q400-C402 PolarHBondContact O-N 3.22Å; Q400-C402 VanDerWaalsContact O-N 3.16Å; C402-R406 WeakPolarHBondContact O-CB 3.28Å; C402-R406 PolarHBondContact O-N 2.82Å |
| 403 | L | 68.1 | Low | 63.9 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.5 | -44.5 | 173.1 | -65.8 | -177.5 | 0 | 0 | 0 | 111.6 | Y399 Q400 A405 R406 S407 | Y399-L403 HydrophobicContact CD1-CD1 4.15Å; Y399-L403 HydrophobicContact CE1-CD1 3.56Å; Y399-L403 HydrophobicContact CE1-CG 4.16Å; Y399-L403 HydrophobicContact CE2-CD2 4.38Å; Y399-L403 HydrophobicContact CE2-CG 4.46Å; Y399-L403 PolarHBondContact O-N 3Å; Y399-L403 VanDerWaalsContact O-N 3.08Å; Q400-L403 WeakPolarHBondContact O-CA 3.4Å; Q400-L403 WeakPolarHBondContact O-CB 3.33Å; Q400-L403 PolarHBondContact O-N 3.3Å; L403-A405 PolarHBondContact O-N 3.1Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.09Å; L403-S407 PolarHBondContact O-N 2.89Å |
| 404 | D | 67.1 | Low | 61.5 | Low | 67 Ų | 67 | 93.6 Ų | 93.6 | 36% | 0.358 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | -179.3 | -60.7 | -29.2 | 0 | 0 | 0 | 111.9 | Q400 R406 S407 Q408 | Q400-D404 PolarHBondContact NE2-OD1 3.41Å; Q400-D404 VanDerWaalsContact O-CG 3.26Å; Q400-D404 PolarHBondContact O-N 3.31Å; D404-R406 VanDerWaalsContact C-N 3.29Å; D404-R406 PolarHBondContact O-N 2.88Å; D404-S407 PolarHBondContact O-N 3.37Å; D404-S407 PolarHBondContact O-OG 3.16Å; D404-Q408 WeakPolarHBondContact O-CG 3.11Å; D404-Q408 PolarHBondContact O-N 3.33Å; D404-Q408 VanDerWaalsContact O-N 3.12Å |
| 405 | A | 62.4 | Low | 59.1 | Low | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K401 L403 T409 | K401-A405 WeakPolarHBondContact O-CB 3.24Å; K401-A405 PolarHBondContact O-N 3.42Å; K401-A405 VanDerWaalsContact O-N 3.14Å; L403-A405 PolarHBondContact O-N 3.1Å; A405-T409 PolarHBondContact O-N 2.82Å; A405-T409 PolarHBondContact O-OG1 2.9Å |
| 406 | R | 56.3 | Low | 56.8 | Low | 173 Ų | 173 | 101.8 Ų | 101.8 | 65% | 0.653 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.1 | -33.6 | -179.3 | -161.6 | 174.6 | 72.2 | -171.8 | 2.6 | 112.8 | C402 L403 D404 T409 S410 | C402-R406 WeakPolarHBondContact O-CB 3.28Å; C402-R406 PolarHBondContact O-N 2.82Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.09Å; D404-R406 VanDerWaalsContact C-N 3.29Å; D404-R406 PolarHBondContact O-N 2.88Å; R406-T409 WeakPolarHBondContact CA-OG1 3.31Å; R406-T409 PolarHBondContact O-N 2.8Å; R406-T409 PolarHBondContact O-OG1 3.23Å; R406-S410 PolarHBondContact O-N 2.64Å |
| 407 | S | 45.7 | Very low | 54.6 | Low | 62 Ų | 62 | 102.2 Ų | 102.2 | 43% | 0.434 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.7 | -40.3 | 174.5 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | L403 D404 T409 S410 | L403-S407 PolarHBondContact O-N 2.89Å; D404-S407 PolarHBondContact O-N 3.37Å; D404-S407 PolarHBondContact O-OG 3.16Å; S407-T409 VanDerWaalsContact C-N 3.33Å; S407-T409 PolarHBondContact O-N 2.82Å; S407-S410 WeakPolarHBondContact O-CB 3.33Å; S407-S410 PolarHBondContact O-N 2.92Å; S407-S410 PolarHBondContact O-OG 2.99Å |
| 408 | Q | 44.6 | Very low | 52.6 | Low | 137 Ų | 137 | 103.4 Ų | 103.4 | 64% | 0.64 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.8 | -39 | 173.3 | -70.7 | -179.7 | 11.4 | 0 | 0 | 112.4 | D404 S410 T411 S412 | D404-Q408 WeakPolarHBondContact O-CG 3.11Å; D404-Q408 PolarHBondContact O-N 3.33Å; D404-Q408 VanDerWaalsContact O-N 3.12Å; Q408-S410 PolarHBondContact O-N 3.41Å; Q408-T411 PolarHBondContact O-N 2.98Å; Q408-S412 PolarHBondContact O-N 2.81Å; Q408-S412 VanDerWaalsContact O-N 3.15Å; Q408-S412 PolarHBondContact O-OG 3.2Å |
| 409 | T | 43.3 | Very low | 50.8 | Low | 94 Ų | 94 | 104.8 Ų | 104.8 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.3 | -11.4 | 173.6 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | A405 R406 S407 S412 | A405-T409 PolarHBondContact O-N 2.82Å; A405-T409 PolarHBondContact O-OG1 2.9Å; R406-T409 WeakPolarHBondContact CA-OG1 3.31Å; R406-T409 PolarHBondContact O-N 2.8Å; R406-T409 PolarHBondContact O-OG1 3.23Å; S407-T409 VanDerWaalsContact C-N 3.33Å; S407-T409 PolarHBondContact O-N 2.82Å; T409-S412 WeakPolarHBondContact CA-OG 3.23Å; T409-S412 PolarHBondContact O-OG 2.74Å |
| 410 | S | 46.1 | Very low | 49.4 | Very low | 96 Ų | 96 | 106 Ų | 106 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -88.2 | -15.8 | 177.4 | 74.7 | 0 | 0 | 0 | 0 | 114.1 | R406 S407 Q408 | R406-S410 PolarHBondContact O-N 2.64Å; S407-S410 WeakPolarHBondContact O-CB 3.33Å; S407-S410 PolarHBondContact O-N 2.92Å; S407-S410 PolarHBondContact O-OG 2.99Å; Q408-S410 PolarHBondContact O-N 3.41Å |
| 411 | T | 43.1 | Very low | 47.7 | Very low | 118 Ų | 118 | 106.9 Ų | 106.9 | 72% | 0.724 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -115 | -9.5 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | Q408 C413 | Q408-T411 PolarHBondContact O-N 2.98Å; T411-C413 PolarHBondContact O-N 2.99Å |
| 412 | S | 36.1 | Very low | 46.4 | Very low | 66 Ų | 66 | 108.2 Ų | 108.2 | 46% | 0.462 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -71.5 | 113.4 | 170.1 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | Q408 T409 L414 | Q408-S412 PolarHBondContact O-N 2.81Å; Q408-S412 VanDerWaalsContact O-N 3.15Å; Q408-S412 PolarHBondContact O-OG 3.2Å; T409-S412 WeakPolarHBondContact CA-OG 3.23Å; T409-S412 PolarHBondContact O-OG 2.74Å; S412-L414 PolarHBondContact O-N 3.47Å |
| 413 | C | 38.6 | Very low | 44.8 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 118.8 | 173.1 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | T411 | T411-C413 PolarHBondContact O-N 2.99Š|
| 414 | L | 33.5 | Very low | 44 | Very low | 155 Ų | 155 | 117.6 Ų | 117.6 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 133.6 | 172.3 | -65.5 | 175.7 | 0 | 0 | 0 | 109.5 | S412 A416 | S412-L414 PolarHBondContact O-N 3.47Å; L414-A416 PolarHBondContact O-N 3.1Å |
| 415 | P | 37.4 | Very low | 43.2 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.8 | 165.2 | 27.8 | -33.2 | 0 | 0 | 0 | 108.7 | ||
| 416 | A | 36.8 | Very low | 42.4 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -61 | 136.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L414 | L414-A416 PolarHBondContact O-N 3.1Š|
| 417 | P | 36.8 | Very low | 41.7 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 150.7 | 177.6 | 27.3 | -34.7 | 0 | 0 | 0 | 110.9 | ||
| 418 | P | 37.7 | Very low | 41.4 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 147.9 | 178.2 | 25.5 | -34.4 | 0 | 0 | 0 | 111.4 | E420 | P418-E420 VanDerWaalsContact C-N 3.28Å; P418-E420 PolarHBondContact O-N 3.46Å |
| 419 | A | 41.6 | Very low | 41.6 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -81.9 | 50.8 | -159.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 420 | E | 44.3 | Very low | 41.7 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -156.1 | 94.5 | 170.4 | -126.1 | 168.1 | -135.4 | 0 | 0 | 113.4 | P418 | P418-E420 VanDerWaalsContact C-N 3.28Å; P418-E420 PolarHBondContact O-N 3.46Å | ||
| 421 | S | 38.2 | Very low | 41.7 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -179.9 | 94.3 | 156.2 | -87.1 | 0 | 0 | 0 | 0 | 112.7 | A423 | S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 PolarHBondContact O-N 2.86Å | ||
| 422 | V | 47.1 | Very low | 41.8 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 95% | 0.952 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 38.6 | -22.5 | 148 | -160.2 | 0 | 0 | 0 | 0 | 122.7 | R424 | V422-R424 VanDerWaalsContact C-N 3.31Å; V422-R424 PolarHBondContact O-N 2.94Å |
| 423 | A | 37 | Very low | 41.9 | Very low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | trans | -80.2 | 25.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117 | S421 R425 | S421-A423 VanDerWaalsContact C-N 3.26Å; S421-A423 PolarHBondContact O-N 2.86Å; A423-R425 PolarHBondContact O-N 3.23Å | ||
| 424 | R | 49.9 | Very low | 42 | Very low | 227 Ų | 227 | 149 Ų | 149 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | -98 | 49.1 | 179.2 | -84.3 | -158.4 | 178.8 | 109.7 | -1.3 | 114.7 | V422 | V422-R424 VanDerWaalsContact C-N 3.31Å; V422-R424 PolarHBondContact O-N 2.94Å | ||
| 425 | R | 49.8 | Very low | 42.1 | Very low | 234 Ų | 234 | 150.2 Ų | 150.2 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -161.8 | 90.6 | 166.7 | -153.7 | -176.1 | -60.5 | -167.3 | 4 | 106.5 | A423 | A423-R425 PolarHBondContact O-N 3.23Š|
| 426 | V | 45.5 | Very low | 42 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | S | Bend | -139 | 123.7 | 57.8 | -179.7 | 0 | 0 | 0 | 0 | 111 | |||
| 427 | G | 42.4 | Very low | 42.1 | Very low | 76 Ų | 76 | 153.7 Ų | 153.7 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | trans | 178.2 | 20 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 428 | W | 40.5 | Very low | 42.2 | Very low | 230 Ų | 230 | 160.1 Ų | 160.1 | 87% | 0.871 | 85% | 0.847 | S | S | * | * | trans | -132.1 | 47.9 | -172.4 | -156.4 | -37.9 | 0 | 0 | 0 | 112.3 | ||||
| 429 | T | 47.2 | Very low | 41.8 | Very low | 126 Ų | 126 | 157.7 Ų | 157.7 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -138.8 | 14 | -175.6 | 31.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 430 | V | 45.7 | Very low | 41.3 | Very low | 136 Ų | 136 | 157.9 Ų | 157.9 | 82% | 0.824 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -136.5 | 38.2 | 177.9 | -154.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 431 | R | 46.9 | Very low | 40.7 | Very low | 248 Ų | 248 | 157 Ų | 157 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -144.3 | 24.5 | 172.2 | -78.5 | -156.5 | 175.2 | -158.7 | -1.6 | 115.6 | ||
| 432 | R | 45.5 | Very low | 40.5 | Very low | 248 Ų | 248 | 160.3 Ų | 160.3 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -142.1 | 137.9 | 162.7 | -84.6 | -167.6 | 172.1 | -173.8 | -3.1 | 109.2 | ||
| 433 | G | 38.3 | Very low | 40.1 | Very low | 69 Ų | 69 | 158.5 Ų | 158.5 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | 79.9 | 120.5 | -154 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 434 | V | 40.1 | Very low | 39.7 | Very low | 148 Ų | 148 | 164 Ų | 164 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | S | Bend | cis | -112.2 | 110.4 | 12 | -179.6 | 0 | 0 | 0 | 0 | 112 | ||
| 435 | Q | 36 | Very low | 38.8 | Very low | 179 Ų | 179 | 164.4 Ų | 164.4 | 84% | 0.836 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -139.1 | 153.7 | 147.8 | -83.2 | -170.7 | -20.9 | 0 | 0 | 107 | ||
| 436 | S | 34 | Very low | 38 | Very low | 110 Ų | 110 | 161.4 Ų | 161.4 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | trans | 50.2 | 86.7 | -177.4 | 65.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 437 | L | 39.2 | Very low | 37.3 | Very low | 173 Ų | 173 | 158.4 Ų | 158.4 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | trans | -126.2 | 106.3 | 137.1 | -96.9 | 169.1 | 0 | 0 | 0 | 109 | ||||
| 438 | W | 38.3 | Very low | 36.7 | Very low | 248 Ų | 248 | 160.9 Ų | 160.9 | 94% | 0.939 | 84% | 0.842 | S | S | * | * | trans | -63.6 | 157.5 | 153.7 | -56.4 | -47.4 | 0 | 0 | 0 | 108.7 | ||||
| 439 | G | 29.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 158.1 Ų | 158.1 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | cis | 148 | 106.6 | -2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 440 | S | 30.8 | Very low | 35.7 | Very low | 109 Ų | 109 | 157.9 Ų | 157.9 | 76% | 0.762 | 84% | 0.838 | S | S | * | * | trans | 65.6 | 134.2 | 171.3 | -166.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 441 | L | 32.1 | Very low | 36.2 | Very low | 161 Ų | 161 | 160.7 Ų | 160.7 | 84% | 0.843 | 86% | 0.859 | S | S | * | * | trans | -170.6 | 68.2 | 142.9 | -108.3 | 172.7 | 0 | 0 | 0 | 117.2 | ||||
| 442 | K | 33.3 | Very low | 35.6 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 79% | 0.787 | 86% | 0.855 | S | S | * | * | trans | 54.9 | -162.5 | 145.7 | -50.9 | -173.2 | 177.4 | 179.7 | 0 | 118.2 | ||||
| 443 | P | 39.7 | Very low | 35.1 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 77% | 0.773 | 85% | 0.85 | S | S | * | * | -135.9 | 176.1 | -101.3 | 43.3 | -25.1 | 0 | 0 | 0 | 117.4 | |||||
| 444 | K | 29.1 | Very low | 34.9 | Very low | 212 Ų | 212 | 156.1 Ų | 156.1 | 92% | 0.922 | 86% | 0.858 | S | S | * | * | trans | -146.1 | 151.7 | 156.5 | -119.8 | 174.9 | -178 | 178.3 | 0 | 111.7 | ||||
| 445 | R | 31.1 | Very low | 34.6 | Very low | 234 Ų | 234 | 156.5 Ų | 156.5 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | trans | -112.8 | 155.2 | -178.5 | -61.9 | 175.6 | 174.2 | 176.1 | -3.5 | 111 | ||||
| 446 | L | 33.5 | Very low | 34.6 | Very low | 172 Ų | 172 | 155.1 Ų | 155.1 | 90% | 0.901 | 86% | 0.857 | S | S | * | * | -173.7 | 137.9 | 116.6 | -128.6 | 73 | 0 | 0 | 0 | 114.1 | |||||
| 447 | G | 29.9 | Very low | 34.6 | Very low | 77 Ų | 77 | 158.1 Ų | 158.1 | 79% | 0.794 | 86% | 0.863 | S | S | * | * | trans | 73.7 | 148.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 448 | S | 30.8 | Very low | 34.3 | Very low | 128 Ų | 128 | 157.1 Ų | 157.1 | 90% | 0.895 | 86% | 0.86 | S | S | * | * | cis | -154.4 | 168.5 | -15.4 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 449 | Q | 34.3 | Very low | 34 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 85% | 0.854 | S | S | * | * | trans | -101.2 | 154.1 | -168.6 | -55.1 | 176.6 | -69.6 | 0 | 0 | 114.5 | ||||
| 450 | T | 32.2 | Very low | 34.3 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 74% | 0.742 | 86% | 0.864 | S | S | * | * | trans | 64 | 164.6 | 141.1 | 44.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 451 | P | 55.1 | Low | 34.6 | Very low | 195 Ų | 195 | 161 Ų | 161 | 100% | 1.266 | 87% | 0.873 | S | S | * | * | cis | -85.5 | 0 | -2.3 | 35.8 | -33.5 | 0 | 0 | 0 | 114.8 |
Retrieved 451 of 451 residues in 265.2 ms
(Link to these results)