| 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 | 37.6 | Very low | 35.1 | Very low | 242 Ų | 242 | 154.9 Ų | 154.9 | 100% | 1.192 | 81% | 0.81 | S | S | * | * | 0 | 91.7 | 0 | -76 | -176.2 | -173.2 | 0 | 0 | 107.2 | |||||
| 2 | E | 31.4 | Very low | 35.7 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | trans | -72.5 | 123.1 | 173.5 | -91.1 | 168 | 134.4 | 0 | 0 | 108.9 | ||||
| 3 | T | 33.7 | Very low | 36.3 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -96.1 | 106.7 | 172.9 | 39 | 0 | 0 | 0 | 0 | 108.3 | K5 | T3-K5 PolarHBondContact O-N 3.37Å; T3-K5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | D | 30.4 | Very low | 36.7 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -63 | 104 | 171.2 | -119.6 | -25.6 | 0 | 0 | 0 | 109.4 | H6 | D4-H6 PolarHBondContact O-N 3.2Š| ||
| 5 | K | 34.4 | Very low | 37.2 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 81% | 0.809 | 73% | 0.726 | S | S | * | * | trans | -87.7 | 83.6 | 171 | -72 | -176 | -179.8 | 179.3 | 0 | 108.9 | T3 Q7 | T3-K5 PolarHBondContact O-N 3.37Å; T3-K5 VanDerWaalsContact O-N 3.11Å; K5-Q7 PolarHBondContact O-N 3.05Å | ||
| 6 | H | 35 | Very low | 37.4 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.787 | 70% | 0.695 | S | S | * | * | trans | -68 | 99.4 | 165.5 | -91.5 | -71.7 | 0 | 0 | 0 | 110.3 | D4 A8 | D4-H6 PolarHBondContact O-N 3.2Å; H6-A8 PolarHBondContact O-N 3.26Å | ||
| 7 | Q | 33.4 | Very low | 37.7 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -71.9 | 112.5 | 172.8 | -165.5 | 169.2 | 25.8 | 0 | 0 | 109.7 | K5 I9 | K5-Q7 PolarHBondContact O-N 3.05Å; Q7-I9 PolarHBondContact O-N 3.06Å | ||
| 8 | A | 34.3 | Very low | 37.9 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | trans | -69.5 | 94.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H6 G10 | H6-A8 PolarHBondContact O-N 3.26Å; A8-G10 PolarHBondContact O-N 3.44Å | ||
| 9 | I | 37.8 | Very low | 37.9 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | trans | -74.2 | 106.9 | 174.5 | -62.3 | 173 | 0 | 0 | 0 | 108.9 | Q7 K11 S37 | Q7-I9 PolarHBondContact O-N 3.06Å; I9-K11 PolarHBondContact O-N 2.9Å; I9-S37 WeakPolarHBondContact CG2-OG 3.35Å | ||
| 10 | G | 35.7 | Very low | 38 | Very low | 57 Ų | 57 | 125 Ų | 125 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | trans | -60.4 | 116.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A8 Q12 | A8-G10 PolarHBondContact O-N 3.44Å; G10-Q12 PolarHBondContact O-N 3.44Å | ||
| 11 | K | 41.8 | Very low | 37.9 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | trans | -76.8 | 101.6 | 175.5 | -64.8 | 172.4 | -176.6 | 169.1 | 0 | 109.8 | I9 K13 | I9-K11 PolarHBondContact O-N 2.9Å; K11-K13 PolarHBondContact O-N 3.22Å | ||
| 12 | Q | 42.5 | Very low | 38 | Very low | 92 Ų | 92 | 119.9 Ų | 119.9 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | trans | -82.4 | 112.5 | 169.7 | -72.6 | -165.7 | -5.4 | 0 | 0 | 111.2 | G10 S316 | G10-Q12 PolarHBondContact O-N 3.44Å; Q12-S316 PolarHBondContact NE2-OG 2.79Å; Q12-S316 PolarHBondContact OE1-OG 2.97Å; Q12-S316 VanDerWaalsContact OE1-OG 3.05Å | ||
| 13 | K | 44.2 | Very low | 38.3 | Very low | 150 Ų | 150 | 116 Ų | 116 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | trans | -95.2 | 104.3 | 178.4 | -167.3 | 176.4 | -176.3 | 177.7 | 0 | 109.9 | K11 K15 I34 | K11-K13 PolarHBondContact O-N 3.22Å; K13-K15 PolarHBondContact O-N 2.98Å; K13-I34 HydrophobicContact CG-CG1 4.41Å | ||
| 14 | L | 40.9 | Very low | 38.7 | Very low | 68 Ų | 68 | 117.5 Ų | 117.5 | 36% | 0.356 | 61% | 0.607 | S | S | . | * | trans | -94.6 | 88.6 | -177.4 | -129 | 156.8 | 0 | 0 | 0 | 111.1 | L16 A33 L35 V318 | L14-L16 HydrophobicContact CD2-CG 4.45Å; L14-L16 PolarHBondContact O-N 3.08Å; L14-A33 CarbonylContact C-O 3.53Å; L14-A33 CarbonylContact O-C 3.42Å; L14-L35 HydrophobicContact CB-CD1 3.99Å; L14-L35 HydrophobicContact CD1-CD1 3.45Å; L14-L35 VanDerWaalsContact CD1-CD1 3.45Å; L14-L35 HydrophobicContact CG-CD1 4.35Å; L14-V318 HydrophobicContact CD1-CG2 4.26Å | ||
| 15 | K | 44.9 | Very low | 39.1 | Very low | 123 Ų | 123 | 117.4 Ų | 117.4 | 54% | 0.535 | 60% | 0.596 | S | S | . | * | trans | -80.7 | 86.1 | -175.7 | -167.2 | 177.1 | -174.7 | -177.8 | 0 | 111.6 | K13 R17 T32 | K13-K15 PolarHBondContact O-N 2.98Å; K15-R17 PolarHBondContact O-N 2.98Å; K15-T32 HydrophobicContact CG-CG2 4.1Å | ||
| 16 | L | 40.7 | Very low | 39.2 | Very low | 44 Ų | 44 | 117.9 Ų | 117.9 | 23% | 0.23 | 59% | 0.593 | C | S | . | * | trans | -76 | 101.7 | 170.1 | -81.8 | 160 | 0 | 0 | 0 | 111 | L14 A31 A33 | L14-L16 HydrophobicContact CD2-CG 4.45Å; L14-L16 PolarHBondContact O-N 3.08Å; L16-A31 CarbonylContact O-C 3.2Å; L16-A33 HydrophobicContact CD1-CB 4.33Å | ||
| 17 | R | 41.9 | Very low | 39.4 | Very low | 156 Ų | 156 | 112.7 Ų | 112.7 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | trans | -81.3 | 123 | 163.4 | -84.3 | -177.2 | 172.3 | 168.7 | -1.5 | 108.5 | K15 | K15-R17 PolarHBondContact O-N 2.98Š| ||
| 18 | V | 40.8 | Very low | 39.7 | Very low | 27 Ų | 27 | 106.3 Ų | 106.3 | 16% | 0.164 | 55% | 0.55 | C | S | . | . | trans | -104.4 | 133.1 | 164.9 | -179.1 | 0 | 0 | 0 | 0 | 105.6 | M20 V29 V330 I334 | V18-M20 HydrophobicContact CG1-CG 4.31Å; V18-V29 CarbonylContact O-C 3.54Å; V18-V330 HydrophobicContact CG2-CG1 4.41Å; V18-I334 HydrophobicContact CG1-CD1 4.36Å | ||
| 19 | S | 39.4 | Very low | 40.1 | Very low | 55 Ų | 55 | 102.1 Ų | 102.1 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | trans | -122.8 | 113.4 | 168.8 | 55.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 20 | M | 40 | Very low | 40.3 | Very low | 80 Ų | 80 | 98.3 Ų | 98.3 | 39% | 0.394 | 50% | 0.497 | S | S | . | . | trans | -96 | 116.1 | 168.1 | -68.9 | -173 | 68.6 | 0 | 0 | 107.6 | V18 I334 L338 | V18-M20 HydrophobicContact CG1-CG 4.31Å; M20-I334 HydrophobicContact SD-CG2 3.88Å; M20-L338 HydrophobicContact SD-CD1 4.43Å | ||
| 21 | M | 35.9 | Very low | 40.7 | Very low | 159 Ų | 159 | 95.7 Ų | 95.7 | 78% | 0.783 | 47% | 0.47 | S | S | * | . | trans | -89 | 110.4 | 162.6 | -65.6 | -158.1 | 89.9 | 0 | 0 | 107.1 | ||||
| 22 | D | 38.2 | Very low | 40.8 | Very low | 102 Ų | 102 | 88 Ų | 88 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -83 | 126.9 | 162 | -164.2 | -3.6 | 0 | 0 | 0 | 107.2 | D24 R25 | D22-D24 PolarHBondContact O-N 3.14Å; D22-R25 CarbonylContact O-C 3.49Å; D22-R25 PolarHBondContact O-N 2.93Å; D22-R25 VanDerWaalsContact O-N 3.08Å |
| 23 | S | 39 | Very low | 40.8 | Very low | 120 Ų | 120 | 84 Ų | 84 | 84% | 0.839 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24 | -170.4 | -41.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 24 | D | 41.3 | Very low | 40.7 | Very low | 153 Ų | 153 | 78.9 Ų | 78.9 | 82% | 0.818 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -7.1 | -177 | -67 | -32.3 | 0 | 0 | 0 | 114.1 | D22 | D22-D24 PolarHBondContact O-N 3.14Š|
| 25 | R | 39.1 | Very low | 40.7 | Very low | 145 Ų | 145 | 77.7 Ų | 77.7 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -145.8 | 111.4 | -179.3 | -68 | -173.5 | 177.4 | -165.3 | -1.7 | 110.7 | D22 V27 D345 | D22-R25 CarbonylContact O-C 3.49Å; D22-R25 PolarHBondContact O-N 2.93Å; D22-R25 VanDerWaalsContact O-N 3.08Å; R25-V27 VanDerWaalsContact C-N 3.26Å; R25-V27 HydrophobicContact CB-CG2 4.27Å; R25-V27 PolarHBondContact O-N 2.96Å; R25-D345 IonicContact NH1-OD2 2.78Å |
| 26 | R | 36 | Very low | 40.5 | Very low | 196 Ų | 196 | 80.1 Ų | 80.1 | 74% | 0.74 | 40% | 0.401 | S | S | * | . | trans | -71.1 | 74.2 | 177.6 | -62.5 | -174.3 | -171.7 | -146.2 | 2.6 | 111.7 | ||||
| 27 | V | 39.3 | Very low | 40.4 | Very low | 60 Ų | 60 | 81.3 Ų | 81.3 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | trans | -105.3 | 103.8 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | R25 V29 | R25-V27 VanDerWaalsContact C-N 3.26Å; R25-V27 HydrophobicContact CB-CG2 4.27Å; R25-V27 PolarHBondContact O-N 2.96Å; V27-V29 HydrophobicContact CG1-CG2 3.93Å; V27-V29 PolarHBondContact O-N 3.33Å | ||
| 28 | A | 40.4 | Very low | 40 | Very low | 41 Ų | 41 | 77.8 Ų | 77.8 | 34% | 0.339 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 110 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S48 | A28-S48 CarbonylContact O-C 3.47Å; A28-S48 PolarHBondContact O-N 2.61Å |
| 29 | V | 42.8 | Very low | 39.8 | Very low | 14 Ų | 14 | 81.6 Ų | 81.6 | 9% | 0.085 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 98.8 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | V18 V27 | V18-V29 CarbonylContact O-C 3.54Å; V27-V29 HydrophobicContact CG1-CG2 3.93Å; V27-V29 PolarHBondContact O-N 3.33Å |
| 30 | S | 41.6 | Very low | 39.4 | Very low | 33 Ų | 33 | 81.1 Ų | 81.1 | 23% | 0.231 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.3 | 173.2 | 85.9 | 0 | 0 | 0 | 0 | 110.7 | R46 | S30-R46 PolarHBondContact N-O 3.29Å; S30-R46 CarbonylContact O-C 3.32Å; S30-R46 PolarHBondContact O-N 2.94Å; S30-R46 PolarHBondContact OG-O 3.21Å; S30-R46 VanDerWaalsContact OG-O 3.04Å |
| 31 | A | 44.9 | Very low | 39.3 | Very low | 2 Ų | 2 | 83.4 Ų | 83.4 | 2% | 0.017 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 161.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L16 F45 | L16-A31 CarbonylContact O-C 3.2Å; A31-F45 HydrophobicContact CB-CD1 3.99Å; A31-F45 HydrophobicContact CB-CE1 4.04Å |
| 32 | T | 43.4 | Very low | 39.5 | Very low | 27 Ų | 27 | 77.4 Ų | 77.4 | 17% | 0.166 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 111.3 | 164.1 | -66.1 | 0 | 0 | 0 | 0 | 106.5 | K15 I34 F44 | K15-T32 HydrophobicContact CG-CG2 4.1Å; T32-I34 HydrophobicContact CG2-CG1 4.28Å; T32-F44 PolarHBondContact N-O 3.09Å; T32-F44 PolarHBondContact O-N 3.34Å; T32-F44 VanDerWaalsContact O-O 3.1Å |
| 33 | A | 41.8 | Very low | 39.6 | Very low | 10 Ų | 10 | 75.2 Ų | 75.2 | 8% | 0.083 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 142.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L14 L16 L43 | L14-A33 CarbonylContact C-O 3.53Å; L14-A33 CarbonylContact O-C 3.42Å; L16-A33 HydrophobicContact CD1-CB 4.33Å; A33-L43 HydrophobicContact CB-CD2 4.33Å |
| 34 | I | 43.2 | Very low | 39.8 | Very low | 41 Ų | 41 | 75.5 Ų | 75.5 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 111 | 167.6 | -55.9 | 177.4 | 0 | 0 | 0 | 106.1 | K13 T32 R36 S42 F44 | K13-I34 HydrophobicContact CG-CG1 4.41Å; T32-I34 HydrophobicContact CG2-CG1 4.28Å; I34-R36 HydrophobicContact CG2-CG 4.45Å; I34-S42 PolarHBondContact N-O 3.34Å; I34-S42 PolarHBondContact O-N 3.36Å; I34-S42 VanDerWaalsContact O-N 3.09Å; I34-S42 PolarHBondContact O-OG 3.22Å; I34-F44 HydrophobicContact CD1-CD2 4.04Å; I34-F44 HydrophobicContact CD1-CE2 4.16Å; I34-F44 HydrophobicContact CG1-CD2 4.42Å |
| 35 | L | 41.1 | Very low | 39.8 | Very low | 43 Ų | 43 | 71 Ų | 71 | 23% | 0.225 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.5 | 171.2 | -79.4 | 154 | 0 | 0 | 0 | 107.9 | L14 F41 | L14-L35 HydrophobicContact CB-CD1 3.99Å; L14-L35 HydrophobicContact CD1-CD1 3.45Å; L14-L35 VanDerWaalsContact CD1-CD1 3.45Å; L14-L35 HydrophobicContact CG-CD1 4.35Å; L35-F41 HydrophobicContact CD2-CB 4.36Å |
| 36 | R | 40.1 | Very low | 39.8 | Very low | 175 Ų | 175 | 72.4 Ų | 72.4 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.8 | 167.8 | -71.7 | -176.5 | 173.9 | 169.7 | -1.7 | 106.9 | I34 G38 | I34-R36 HydrophobicContact CG2-CG 4.45Å; R36-G38 PolarHBondContact O-N 3.1Å; R36-G38 VanDerWaalsContact O-N 3.1Å |
| 37 | S | 37.5 | Very low | 39.8 | Very low | 68 Ų | 68 | 66.5 Ų | 66.5 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 116.5 | 170.5 | 56.6 | 0 | 0 | 0 | 0 | 108 | I9 | I9-S37 WeakPolarHBondContact CG2-OG 3.35Š|
| 38 | G | 34.2 | Very low | 39.6 | Very low | 82 Ų | 82 | 66 Ų | 66 | 85% | 0.845 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.1 | -21.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | R36 | R36-G38 PolarHBondContact O-N 3.1Å; R36-G38 VanDerWaalsContact O-N 3.1Å |
| 39 | A | 36.2 | Very low | 39.2 | Very low | 108 Ų | 108 | 67.3 Ų | 67.3 | 89% | 0.893 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -164.4 | 1.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 40 | G | 31.8 | Very low | 38.6 | Very low | 45 Ų | 45 | 72.3 Ų | 72.3 | 46% | 0.464 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | 151.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 41 | F | 38.6 | Very low | 38 | Very low | 127 Ų | 127 | 74.8 Ų | 74.8 | 56% | 0.557 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 137.9 | 166.9 | 57.6 | -87.9 | 0 | 0 | 0 | 108.8 | L35 L43 | L35-F41 HydrophobicContact CD2-CB 4.36Å; F41-L43 HydrophobicContact CD2-CD1 4.09Å; F41-L43 HydrophobicContact CE2-CD1 4.27Å |
| 42 | S | 38.9 | Very low | 37.3 | Very low | 33 Ų | 33 | 82.8 Ų | 82.8 | 23% | 0.231 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.8 | 168.2 | 58.4 | 0 | 0 | 0 | 0 | 108.5 | I34 F44 | I34-S42 PolarHBondContact N-O 3.34Å; I34-S42 PolarHBondContact O-N 3.36Å; I34-S42 VanDerWaalsContact O-N 3.09Å; I34-S42 PolarHBondContact O-OG 3.22Å; S42-F44 WeakPolarHBondContact OG-CE2 3.37Å |
| 43 | L | 40.6 | Very low | 36.6 | Very low | 56 Ų | 56 | 90.1 Ų | 90.1 | 29% | 0.293 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.2 | 176.5 | -97.9 | 150.6 | 0 | 0 | 0 | 108.3 | A33 F41 F45 V330 | A33-L43 HydrophobicContact CB-CD2 4.33Å; F41-L43 HydrophobicContact CD2-CD1 4.09Å; F41-L43 HydrophobicContact CE2-CD1 4.27Å; L43-F45 HydrophobicContact CB-CE2 4.07Å; L43-F45 HydrophobicContact CD2-CE2 4.27Å; L43-F45 HydrophobicContact CD2-CZ 4.01Å; L43-V330 HydrophobicContact CD1-CG2 4.32Å; L43-V330 HydrophobicContact CD2-CG2 3.62Å |
| 44 | F | 42.5 | Very low | 36 | Very low | 126 Ų | 126 | 92.8 Ų | 92.8 | 55% | 0.553 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.3 | 172.8 | -71.4 | -86.7 | 0 | 0 | 0 | 109 | T32 I34 S42 | T32-F44 PolarHBondContact N-O 3.09Å; T32-F44 PolarHBondContact O-N 3.34Å; T32-F44 VanDerWaalsContact O-O 3.1Å; I34-F44 HydrophobicContact CD1-CD2 4.04Å; I34-F44 HydrophobicContact CD1-CE2 4.16Å; I34-F44 HydrophobicContact CG1-CD2 4.42Å; S42-F44 WeakPolarHBondContact OG-CE2 3.37Å |
| 45 | F | 41.6 | Very low | 35.2 | Very low | 58 Ų | 58 | 94.2 Ų | 94.2 | 25% | 0.254 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.3 | 172.6 | -67.5 | -85.4 | 0 | 0 | 0 | 108.8 | A31 L43 V330 V333 I334 | A31-F45 HydrophobicContact CB-CD1 3.99Å; A31-F45 HydrophobicContact CB-CE1 4.04Å; L43-F45 HydrophobicContact CB-CE2 4.07Å; L43-F45 HydrophobicContact CD2-CE2 4.27Å; L43-F45 HydrophobicContact CD2-CZ 4.01Å; F45-V330 HydrophobicContact CE1-CG1 4.15Å; F45-V333 HydrophobicContact CE1-CG1 4.48Å; F45-V333 HydrophobicContact CE2-CG1 3.89Å; F45-V333 HydrophobicContact CZ-CB 4.2Å; F45-V333 HydrophobicContact CZ-CG1 3.75Å; F45-I334 HydrophobicContact CD1-CG1 4.45Å; F45-I334 HydrophobicContact CE1-CD1 4.33Å; F45-I334 HydrophobicContact CE1-CG1 3.92Å |
| 46 | R | 39.6 | Very low | 34.6 | Very low | 175 Ų | 175 | 95.8 Ų | 95.8 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 94.3 | 171.4 | -168.6 | 176 | -178.6 | -175.9 | -0.8 | 108.1 | S30 S48 | S30-R46 PolarHBondContact N-O 3.29Å; S30-R46 CarbonylContact O-C 3.32Å; S30-R46 PolarHBondContact O-N 2.94Å; S30-R46 PolarHBondContact OG-O 3.21Å; S30-R46 VanDerWaalsContact OG-O 3.04Å; R46-S48 PolarHBondContact O-N 3.12Å |
| 47 | S | 36.4 | Very low | 34.2 | Very low | 73 Ų | 73 | 91.4 Ų | 91.4 | 51% | 0.51 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.8 | 170.2 | -66 | 0 | 0 | 0 | 0 | 109.1 | ||
| 48 | S | 34.6 | Very low | 33.8 | Very low | 50 Ų | 50 | 94 Ų | 94 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 96 | 170 | -67.7 | 0 | 0 | 0 | 0 | 107.3 | A28 R46 L50 | A28-S48 CarbonylContact O-C 3.47Å; A28-S48 PolarHBondContact O-N 2.61Å; R46-S48 PolarHBondContact O-N 3.12Å; S48-L50 PolarHBondContact O-N 3.02Å |
| 49 | A | 31.6 | Very low | 33.6 | Very low | 68 Ų | 68 | 99.9 Ų | 99.9 | 56% | 0.562 | 57% | 0.571 | S | S | * | * | trans | -71.2 | 99.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | S51 | A49-S51 PolarHBondContact O-N 3.44Š| ||
| 50 | L | 30.2 | Very low | 33.3 | Very low | 119 Ų | 119 | 101.3 Ų | 101.3 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | trans | -75.1 | 77.8 | 165.8 | -80.1 | 160.9 | 0 | 0 | 0 | 107.6 | S48 | S48-L50 PolarHBondContact O-N 3.02Š| ||
| 51 | S | 29.3 | Very low | 33.1 | Very low | 85 Ų | 85 | 104.4 Ų | 104.4 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | trans | -74.7 | 122.5 | 161.7 | -171.4 | 0 | 0 | 0 | 0 | 107.5 | A49 M53 | A49-S51 PolarHBondContact O-N 3.44Å; S51-M53 PolarHBondContact O-N 2.89Å | ||
| 52 | M | 30.3 | Very low | 32.4 | Very low | 170 Ų | 170 | 103.3 Ų | 103.3 | 84% | 0.837 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -68.5 | 74.3 | 166 | -70.6 | -178.7 | 65.8 | 0 | 0 | 108.7 | ||
| 53 | M | 29 | Very low | 31.8 | Very low | 180 Ų | 180 | 104.6 Ų | 104.6 | 89% | 0.887 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 171.3 | 105.6 | 156.2 | -78.9 | -134 | -171.5 | 0 | 0 | 106.4 | S51 | S51-M53 PolarHBondContact O-N 2.89Š|
| 54 | G | 27.9 | Very low | 31.3 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 104.3 | 128.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 55 | S | 26.7 | Very low | 30.8 | Very low | 71 Ų | 71 | 109.2 Ų | 109.2 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | trans | -53 | 123.3 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | S57 | S55-S57 PolarHBondContact O-N 2.84Å; S55-S57 VanDerWaalsContact O-N 3.07Å | ||
| 56 | P | 29.8 | Very low | 30.1 | Very low | 75 Ų | 75 | 112.8 Ų | 112.8 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | 8.6 | -179.9 | -15.7 | 30.1 | 0 | 0 | 0 | 115.3 | ||
| 57 | S | 30.2 | Very low | 29.5 | Very low | 84 Ų | 84 | 112 Ų | 112 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -11.2 | -168.4 | -56.6 | 0 | 0 | 0 | 0 | 114.6 | S55 | S55-S57 PolarHBondContact O-N 2.84Å; S55-S57 VanDerWaalsContact O-N 3.07Å |
| 58 | D | 29.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 113.8 Ų | 113.8 | 65% | 0.647 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -105 | -2 | -172.5 | -59.4 | -38.8 | 0 | 0 | 0 | 114.2 | ||
| 59 | Y | 30.8 | Very low | 28.6 | Very low | 207 Ų | 207 | 122.9 Ų | 122.9 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -104.5 | 3.6 | -177.5 | -73.3 | -80.4 | 0 | 0 | 0 | 115.1 | ||
| 60 | L | 29.5 | Very low | 28.3 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -119 | 11.9 | -174.8 | -66.6 | 177.7 | 0 | 0 | 0 | 114.6 | ||
| 61 | S | 27.4 | Very low | 27.9 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -123 | 10.1 | -178.7 | -61.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 62 | S | 24.6 | Very low | 27.8 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -113.6 | 103 | 178.4 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 63 | S | 26.6 | Very low | 27.5 | Very low | 60 Ų | 60 | 124.1 Ų | 124.1 | 42% | 0.42 | 74% | 0.735 | S | S | . | * | trans | 27.8 | 98.8 | 150.9 | -161.6 | 0 | 0 | 0 | 0 | 116.7 | A65 D66 | S63-A65 PolarHBondContact O-N 2.75Å; S63-A65 PolarHBondContact OG-N 2.63Å; S63-D66 PolarHBondContact OG-OD2 2.91Å | ||
| 64 | L | 29.5 | Very low | 27.6 | Very low | 196 Ų | 196 | 124.3 Ų | 124.3 | 100% | 1.026 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 10.9 | 162.1 | -133.7 | 106.9 | 0 | 0 | 0 | 112.4 | ||
| 65 | A | 31.2 | Very low | 27.5 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -12.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | S63 | S63-A65 PolarHBondContact O-N 2.75Å; S63-A65 PolarHBondContact OG-N 2.63Å |
| 66 | D | 26.5 | Very low | 27.6 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -133.1 | 23.1 | -166.7 | -67.4 | -53.9 | 0 | 0 | 0 | 117.6 | S63 | S63-D66 PolarHBondContact OG-OD2 2.91Š| ||
| 67 | L | 27.4 | Very low | 27.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 128 | 176.3 | -75 | 169.7 | 0 | 0 | 0 | 112.8 | ||
| 68 | P | 25 | Very low | 27.7 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 134.1 | -173.7 | 28.8 | -33.2 | 0 | 0 | 0 | 110.9 | P70 | P68-P70 WeakPolarHBondContact O-CD 3.35Š|
| 69 | R | 26.8 | Very low | 27.6 | Very low | 241 Ų | 241 | 142.5 Ų | 142.5 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.8 | 173.1 | -72.8 | -179.1 | 177.9 | -177.2 | -1.6 | 109.2 | A71 | R69-A71 PolarHBondContact O-N 3.36Å; R69-A71 VanDerWaalsContact O-N 3.1Å |
| 70 | P | 26.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -67.8 | 114.2 | 170.7 | 25.8 | -28.8 | 0 | 0 | 0 | 108.6 | P68 C72 | P68-P70 WeakPolarHBondContact O-CD 3.35Å; P70-C72 PolarHBondContact O-N 3.47Å; P70-C72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | A | 22.3 | Very low | 27.8 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -66.7 | 101.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | R69 | R69-A71 PolarHBondContact O-N 3.36Å; R69-A71 VanDerWaalsContact O-N 3.1Å | ||
| 72 | C | 27.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -128.6 | 92.3 | 166.4 | -121.6 | 0 | 0 | 0 | 0 | 109.4 | P70 K74 | P70-C72 PolarHBondContact O-N 3.47Å; P70-C72 VanDerWaalsContact O-N 3.09Å; C72-K74 PolarHBondContact O-N 2.95Å; C72-K74 VanDerWaalsContact O-N 3.09Å | ||
| 73 | S | 23.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 82.2 | 170.3 | 42.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 74 | K | 30.2 | Very low | 28.2 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -129.8 | 111.4 | 157.7 | -80.5 | -173.8 | 179.6 | 174.2 | 0 | 109.8 | C72 F76 | C72-K74 PolarHBondContact O-N 2.95Å; C72-K74 VanDerWaalsContact O-N 3.09Å; K74-F76 PolarHBondContact O-N 3.32Å; K74-F76 VanDerWaalsContact O-N 3.14Å | ||
| 75 | S | 25.6 | Very low | 28 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 100.3 | -174.1 | 45.1 | 0 | 0 | 0 | 0 | 112 | K77 | S75-K77 VanDerWaalsContact C-N 3.31Å; S75-K77 PolarHBondContact O-N 3.23Å; S75-K77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | F | 29 | Very low | 27.7 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 80% | 0.803 | 81% | 0.806 | S | S | * | * | trans | -78.2 | 87.4 | 158.9 | -82.9 | -87.5 | 0 | 0 | 0 | 109 | K74 N78 | K74-F76 PolarHBondContact O-N 3.32Å; K74-F76 VanDerWaalsContact O-N 3.14Å; F76-N78 VanDerWaalsContact C-N 3.3Å; F76-N78 PolarHBondContact O-N 3.01Å | ||
| 77 | K | 28.9 | Very low | 27.7 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 93.5 | 160.2 | -69.4 | 177.8 | 178.2 | 179.4 | 0 | 107.1 | S75 | S75-K77 VanDerWaalsContact C-N 3.31Å; S75-K77 PolarHBondContact O-N 3.23Å; S75-K77 VanDerWaalsContact O-N 3.1Å |
| 78 | N | 32.9 | Very low | 27.5 | Very low | 166 Ų | 166 | 154 Ų | 154 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.1 | 21.4 | 161.1 | -79.4 | -24.9 | 0 | 0 | 0 | 113.3 | F76 | F76-N78 VanDerWaalsContact C-N 3.3Å; F76-N78 PolarHBondContact O-N 3.01Å |
| 79 | M | 29 | Very low | 27.6 | Very low | 161 Ų | 161 | 158.1 Ų | 158.1 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 129.9 | 166.1 | -79.3 | -110.5 | 126.6 | 0 | 0 | 109.7 | ||
| 80 | P | 32.1 | Very low | 27.5 | Very low | 106 Ų | 106 | 151 Ų | 151 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 145.5 | 170.3 | 27 | -31.4 | 0 | 0 | 0 | 109.2 | E82 | P80-E82 PolarHBondContact O-N 3.42Š|
| 81 | P | 31.8 | Very low | 27.4 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 125.2 | -175.7 | 24.6 | -32.1 | 0 | 0 | 0 | 110 | N83 | P81-N83 PolarHBondContact O-N 3.4Š|
| 82 | E | 30.2 | Very low | 27.6 | Very low | 193 Ų | 193 | 157.4 Ų | 157.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -63.5 | 77.7 | 161.2 | -75.9 | -175.3 | 148.1 | 0 | 0 | 108.3 | P80 E84 | P80-E82 PolarHBondContact O-N 3.42Å; E82-E84 PolarHBondContact O-N 2.74Å | ||
| 83 | N | 29.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 160.7 Ų | 160.7 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -84.3 | 93.2 | 164.7 | -101.4 | 0.4 | 0 | 0 | 0 | 107.9 | P81 Q85 | P81-N83 PolarHBondContact O-N 3.4Å; N83-Q85 VanDerWaalsContact C-N 3.34Å; N83-Q85 PolarHBondContact O-N 2.93Å | ||
| 84 | E | 26.8 | Very low | 27.5 | Very low | 190 Ų | 190 | 158.3 Ų | 158.3 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | 9.4 | 72.9 | 138.3 | -60.8 | -177.6 | 166.7 | 0 | 0 | 115.7 | E82 | E82-E84 PolarHBondContact O-N 2.74Š| ||
| 85 | Q | 25.9 | Very low | 27.3 | Very low | 172 Ų | 172 | 156.9 Ų | 156.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -111.6 | 112.9 | 147.9 | -77.4 | -171.8 | -1.7 | 0 | 0 | 105.7 | N83 I87 | N83-Q85 VanDerWaalsContact C-N 3.34Å; N83-Q85 PolarHBondContact O-N 2.93Å; Q85-I87 VanDerWaalsContact C-N 3.32Å; Q85-I87 PolarHBondContact O-N 3.15Å | ||
| 86 | R | 23.9 | Very low | 27.3 | Very low | 232 Ų | 232 | 159.6 Ų | 159.6 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -36.9 | 100.7 | 163.4 | -66.7 | 175.8 | 177.7 | -163.2 | -1.1 | 107.7 | N88 | R86-N88 PolarHBondContact O-N 3.41Š| ||
| 87 | I | 26.7 | Very low | 27.1 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -70.3 | 88.3 | 163.1 | -56.4 | 177 | 0 | 0 | 0 | 102.3 | Q85 Y89 | Q85-I87 VanDerWaalsContact C-N 3.32Å; Q85-I87 PolarHBondContact O-N 3.15Å; I87-Y89 PolarHBondContact O-N 3.18Å | ||
| 88 | N | 24.8 | Very low | 26.9 | Very low | 136 Ų | 136 | 152.5 Ų | 152.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -49.1 | 100.2 | 158.9 | -85.9 | -33.2 | 0 | 0 | 0 | 104.4 | R86 | R86-N88 PolarHBondContact O-N 3.41Š| ||
| 89 | Y | 25.4 | Very low | 26.5 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -46.5 | 129.6 | 154.4 | -84.6 | -93.2 | 0 | 0 | 0 | 104.7 | I87 Q91 | I87-Y89 PolarHBondContact O-N 3.18Å; Y89-Q91 PolarHBondContact O-N 2.87Å | ||
| 90 | P | 24.8 | Very low | 26.4 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 60% | 0.597 | 76% | 0.762 | S | S | * | * | trans | -59.1 | 106.3 | 159.6 | -1.2 | 15.9 | 0 | 0 | 0 | 103.2 | F92 | P90-F92 HydrophobicContact CB-CD2 3.83Å; P90-F92 HydrophobicContact CB-CE2 3.67Å; P90-F92 HydrophobicContact CB-CZ 4.41Å; P90-F92 HydrophobicContact CG-CD2 4.32Å; P90-F92 HydrophobicContact CG-CE2 3.89Å; P90-F92 PolarHBondContact O-N 3.45Å | ||
| 91 | Q | 25.2 | Very low | 26 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -55.5 | 91.6 | 159.4 | -75.5 | 178.8 | -17.4 | 0 | 0 | 104.1 | Y89 Y93 | Y89-Q91 PolarHBondContact O-N 2.87Å; Q91-Y93 PolarHBondContact O-N 2.86Å | ||
| 92 | F | 25.7 | Very low | 25.6 | Very low | 191 Ų | 191 | 151.5 Ų | 151.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -73.4 | 55.6 | 160.1 | -78.7 | -80.7 | 0 | 0 | 0 | 107.3 | P90 | P90-F92 HydrophobicContact CB-CD2 3.83Å; P90-F92 HydrophobicContact CB-CE2 3.67Å; P90-F92 HydrophobicContact CB-CZ 4.41Å; P90-F92 HydrophobicContact CG-CD2 4.32Å; P90-F92 HydrophobicContact CG-CE2 3.89Å; P90-F92 PolarHBondContact O-N 3.45Å | ||
| 93 | Y | 24.9 | Very low | 25.5 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -107.8 | 83.7 | 155.7 | -97.5 | -89.7 | 0 | 0 | 0 | 103.9 | Q91 H95 | Q91-Y93 PolarHBondContact O-N 2.86Å; Y93-H95 PolarHBondContact O-N 3.17Å | ||
| 94 | G | 25.2 | Very low | 25.5 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -69.3 | 78.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | I96 | G94-I96 VanDerWaalsContact C-N 3.33Å; G94-I96 PolarHBondContact O-N 2.78Å | ||
| 95 | H | 26 | Very low | 25.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -60.8 | 103.5 | 156.2 | -90.5 | -81.7 | 0 | 0 | 0 | 106.4 | Y93 V97 | Y93-H95 PolarHBondContact O-N 3.17Å; H95-V97 HydrophobicContact CB-CG2 4.26Å; H95-V97 PolarHBondContact O-N 3.15Å | ||
| 96 | I | 25.5 | Very low | 25.6 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 92.2 | 164.3 | -59 | 170.9 | 0 | 0 | 0 | 105.2 | G94 | G94-I96 VanDerWaalsContact C-N 3.33Å; G94-I96 PolarHBondContact O-N 2.78Å | ||
| 97 | V | 24.8 | Very low | 25.8 | Very low | 98 Ų | 98 | 136 Ų | 136 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | -94.9 | 118 | 164.1 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | H95 L99 | H95-V97 HydrophobicContact CB-CG2 4.26Å; H95-V97 PolarHBondContact O-N 3.15Å; V97-L99 HydrophobicContact CG1-CD1 3.58Å; V97-L99 HydrophobicContact CG1-CG 4.14Å; V97-L99 PolarHBondContact O-N 2.91Å | ||
| 98 | P | 23.3 | Very low | 25.9 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -80.9 | 101.5 | 178.9 | 31.8 | -28 | 0 | 0 | 0 | 107.8 | ||||
| 99 | L | 25.3 | Very low | 26.2 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | -130.2 | 92.8 | 172.8 | -86.3 | 156 | 0 | 0 | 0 | 109.5 | V97 | V97-L99 HydrophobicContact CG1-CD1 3.58Å; V97-L99 HydrophobicContact CG1-CG 4.14Å; V97-L99 PolarHBondContact O-N 2.91Å | ||
| 100 | T | 26.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | 56.8 | 132.2 | 148.3 | 49.9 | 0 | 0 | 0 | 0 | 119.7 | D102 | T100-D102 PolarHBondContact O-N 2.96Š| ||
| 101 | P | 25 | Very low | 27.5 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -73.5 | 126.7 | 178.1 | 33.8 | -29.8 | 0 | 0 | 0 | 107.8 | ||||
| 102 | D | 23.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 173.8 | 146.5 | 139.8 | -84.1 | -23.2 | 0 | 0 | 0 | 109 | T100 | T100-D102 PolarHBondContact O-N 2.96Š| ||
| 103 | S | 27.7 | Very low | 28.6 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | trans | 82.3 | 76.3 | 175.4 | 72.8 | 0 | 0 | 0 | 0 | 118.1 | S105 | S103-S105 PolarHBondContact O-N 2.82Š| ||
| 104 | S | 28 | Very low | 29.1 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | 32.5 | 75 | 126.8 | 66.3 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 105 | S | 27.8 | Very low | 29.9 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | -149.5 | 111.3 | 147.6 | 63.7 | 0 | 0 | 0 | 0 | 109.4 | S103 A107 | S103-S105 PolarHBondContact O-N 2.82Å; S105-A107 PolarHBondContact O-N 3.4Å | ||
| 106 | I | 28.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 116.7 Ų | 116.7 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | -65.9 | 105.2 | -173.4 | -66.8 | 165.1 | 0 | 0 | 0 | 108.6 | T108 | I106-T108 PolarHBondContact O-N 3.09Å; I106-T108 VanDerWaalsContact O-N 3.14Å | ||
| 107 | A | 27.3 | Very low | 31.7 | Very low | 95 Ų | 95 | 113 Ų | 113 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -67.9 | 101.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | S105 H109 | S105-A107 PolarHBondContact O-N 3.4Å; A107-H109 PolarHBondContact O-N 2.92Å | ||
| 108 | T | 29.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | trans | -71.9 | 110.5 | 177.9 | -40 | 0 | 0 | 0 | 0 | 109.7 | I106 D112 | I106-T108 PolarHBondContact O-N 3.09Å; I106-T108 VanDerWaalsContact O-N 3.14Å; T108-D112 HydrophobicContact CG2-CB 4.12Å | ||
| 109 | H | 30.8 | Very low | 34.2 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | trans | -52.5 | 139.8 | 171.4 | -120.2 | -94.6 | 0 | 0 | 0 | 110.5 | A107 A111 D112 | A107-H109 PolarHBondContact O-N 2.92Å; H109-A111 PolarHBondContact O-N 3.28Å; H109-D112 PolarHBondContact O-N 2.93Å | ||
| 110 | P | 37.5 | Very low | 35.7 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -0.2 | 175.5 | 25.4 | -32.4 | 0 | 0 | 0 | 114 | ||
| 111 | A | 38.6 | Very low | 36.8 | Very low | 87 Ų | 87 | 118.8 Ų | 118.8 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -12.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H109 | H109-A111 PolarHBondContact O-N 3.28Š|
| 112 | D | 37.9 | Very low | 38 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | trans | -106.3 | 15.8 | -175 | -93.3 | -26.8 | 0 | 0 | 0 | 114.7 | T108 H109 S114 | T108-D112 HydrophobicContact CG2-CB 4.12Å; H109-D112 PolarHBondContact O-N 2.93Å; D112-S114 VanDerWaalsContact C-N 3.33Å; D112-S114 PolarHBondContact O-N 2.97Å | ||
| 113 | V | 37.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 114.6 Ų | 114.6 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | trans | -75.8 | 91.7 | 172.2 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | N117 | V113-N117 HydrophobicContact CG1-CB 3.75Š| ||
| 114 | S | 34.7 | Very low | 40.7 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | trans | -43.9 | 140.4 | 171.2 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | D112 G116 N117 | D112-S114 VanDerWaalsContact C-N 3.33Å; D112-S114 PolarHBondContact O-N 2.97Å; S114-G116 PolarHBondContact O-N 3.18Å; S114-N117 PolarHBondContact O-N 3.02Å | ||
| 115 | L | 41.1 | Very low | 41.5 | Very low | 160 Ų | 160 | 114.7 Ų | 114.7 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | -23.5 | -177.1 | -100.7 | 109.5 | 0 | 0 | 0 | 113.8 | ||
| 116 | G | 39 | Very low | 42.2 | Very low | 55 Ų | 55 | 117.1 Ų | 117.1 | 57% | 0.567 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S114 R118 | S114-G116 PolarHBondContact O-N 3.18Å; G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.14Å |
| 117 | N | 50.3 | Low | 43.2 | Very low | 88 Ų | 88 | 118.1 Ų | 118.1 | 47% | 0.471 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -82.1 | -12.3 | -174.8 | -73.1 | -5.8 | 0 | 0 | 0 | 113.4 | V113 S114 K119 E120 W121 | V113-N117 HydrophobicContact CG1-CB 3.75Å; S114-N117 PolarHBondContact O-N 3.02Å; N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 3.02Å; N117-E120 PolarHBondContact O-N 3.21Å; N117-W121 WeakPolarHBondContact O-CB 3.47Å; N117-W121 PolarHBondContact O-N 3.24Å |
| 118 | R | 47.7 | Very low | 43.8 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 62% | 0.619 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.2 | -32.1 | 178.4 | -163.6 | 174 | -175.6 | -172.3 | 2.7 | 112.6 | G116 N122 | G116-R118 VanDerWaalsContact C-N 3.33Å; G116-R118 PolarHBondContact O-N 3.14Å; R118-N122 WeakPolarHBondContact O-CB 3.25Å; R118-N122 PolarHBondContact O-N 3.19Å; R118-N122 VanDerWaalsContact O-N 3.09Å; R118-N122 PolarHBondContact O-ND2 3.28Å |
| 119 | K | 54.6 | Low | 44.2 | Very low | 173 Ų | 173 | 123 Ų | 123 | 75% | 0.752 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.6 | -41.7 | 175 | -81.5 | -175.8 | 177.9 | 177.1 | 0 | 111.5 | N117 N122 Q123 | N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 3.02Å; K119-N122 PolarHBondContact O-N 3.28Å; K119-Q123 PolarHBondContact O-N 2.85Å |
| 120 | E | 55.8 | Low | 44.1 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.6 | -39.4 | -178.5 | -154 | 177.2 | -166.4 | 0 | 0 | 111.7 | N117 Q123 R124 | N117-E120 PolarHBondContact O-N 3.21Å; E120-Q123 PolarHBondContact O-N 3.3Å; E120-R124 PolarHBondContact O-N 2.98Å |
| 121 | W | 48.8 | Very low | 43.9 | Very low | 150 Ų | 150 | 119.6 Ų | 119.6 | 57% | 0.568 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.6 | -45.5 | 170.9 | -177.8 | 96.2 | 0 | 0 | 0 | 112 | N117 Q123 R124 L125 | N117-W121 WeakPolarHBondContact O-CB 3.47Å; N117-W121 PolarHBondContact O-N 3.24Å; W121-Q123 VanDerWaalsContact C-N 3.32Å; W121-Q123 PolarHBondContact O-N 3.22Å; W121-R124 PolarHBondContact O-N 2.92Å; W121-L125 HydrophobicContact CD2-CD1 4.21Å; W121-L125 HydrophobicContact CD2-CG 4.35Å; W121-L125 HydrophobicContact CE3-CD1 3.78Å; W121-L125 HydrophobicContact CE3-CG 4.28Å; W121-L125 HydrophobicContact CH2-CD1 3.1Å; W121-L125 HydrophobicContact CH2-CG 4.13Å; W121-L125 HydrophobicContact CZ2-CD1 3.53Å; W121-L125 HydrophobicContact CZ2-CG 4.13Å; W121-L125 HydrophobicContact CZ3-CD1 3.22Å; W121-L125 HydrophobicContact CZ3-CG 4.18Å; W121-L125 PolarHBondContact O-N 3.42Å |
| 122 | N | 51.6 | Low | 43.5 | Very low | 58 Ų | 58 | 120.1 Ų | 120.1 | 31% | 0.31 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.3 | -34.4 | 176.4 | -82 | -55 | 0 | 0 | 0 | 112.3 | R118 K119 R126 | R118-N122 WeakPolarHBondContact O-CB 3.25Å; R118-N122 PolarHBondContact O-N 3.19Å; R118-N122 VanDerWaalsContact O-N 3.09Å; R118-N122 PolarHBondContact O-ND2 3.28Å; K119-N122 PolarHBondContact O-N 3.28Å; N122-R126 VanDerWaalsContact O-CG 3.29Å; N122-R126 WeakPolarHBondContact O-CG 3.42Å; N122-R126 PolarHBondContact O-N 3.33Å |
| 123 | Q | 54.1 | Low | 43.4 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 56% | 0.556 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.3 | -40.5 | 172.1 | -88.9 | -173.8 | 2.1 | 0 | 0 | 112.3 | K119 E120 W121 L125 R126 K127 | K119-Q123 PolarHBondContact O-N 2.85Å; E120-Q123 PolarHBondContact O-N 3.3Å; W121-Q123 VanDerWaalsContact C-N 3.32Å; W121-Q123 PolarHBondContact O-N 3.22Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 2.86Å; Q123-R126 PolarHBondContact O-N 2.73Å; Q123-K127 PolarHBondContact O-N 3.17Å |
| 124 | R | 52.8 | Low | 43 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.4 | -39.3 | 174.4 | -82.9 | -179.4 | 172.5 | 175.1 | -0.7 | 112 | E120 W121 K127 R128 | E120-R124 PolarHBondContact O-N 2.98Å; W121-R124 PolarHBondContact O-N 2.92Å; R124-K127 PolarHBondContact O-N 2.99Å; R124-R128 PolarHBondContact O-N 3.46Å |
| 125 | L | 44.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 37% | 0.366 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.3 | -43.2 | 172.3 | -79.4 | -171.5 | 0 | 0 | 0 | 112.6 | W121 Q123 K127 R128 V129 | W121-L125 HydrophobicContact CD2-CD1 4.21Å; W121-L125 HydrophobicContact CD2-CG 4.35Å; W121-L125 HydrophobicContact CE3-CD1 3.78Å; W121-L125 HydrophobicContact CE3-CG 4.28Å; W121-L125 HydrophobicContact CH2-CD1 3.1Å; W121-L125 HydrophobicContact CH2-CG 4.13Å; W121-L125 HydrophobicContact CZ2-CD1 3.53Å; W121-L125 HydrophobicContact CZ2-CG 4.13Å; W121-L125 HydrophobicContact CZ3-CD1 3.22Å; W121-L125 HydrophobicContact CZ3-CG 4.18Å; W121-L125 PolarHBondContact O-N 3.42Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 2.86Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 3.4Å; L125-R128 PolarHBondContact O-N 2.78Å; L125-R128 VanDerWaalsContact O-N 3.14Å; L125-V129 WeakPolarHBondContact O-CG2 3.06Å; L125-V129 PolarHBondContact O-N 3.08Å; L125-V129 VanDerWaalsContact O-N 3.1Å |
| 126 | R | 42.9 | Very low | 42.1 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 62% | 0.619 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -58.8 | -39.4 | 176.7 | -74.1 | 177.8 | -139 | -158.6 | 2.3 | 112.4 | N122 Q123 | N122-R126 VanDerWaalsContact O-CG 3.29Å; N122-R126 WeakPolarHBondContact O-CG 3.42Å; N122-R126 PolarHBondContact O-N 3.33Å; Q123-R126 PolarHBondContact O-N 2.73Å |
| 127 | K | 49.4 | Very low | 41.4 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.3 | -32.4 | 176.8 | -74.6 | -174.6 | 178 | -178 | 0 | 113.2 | Q123 R124 L125 | Q123-K127 PolarHBondContact O-N 3.17Å; R124-K127 PolarHBondContact O-N 2.99Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 3.4Å |
| 128 | R | 40.2 | Very low | 40.2 | Very low | 207 Ų | 207 | 145 Ų | 145 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.6 | -26.2 | 178.8 | -73.5 | -164 | -127.5 | -156.1 | 3 | 114.4 | R124 L125 | R124-R128 PolarHBondContact O-N 3.46Å; L125-R128 PolarHBondContact O-N 2.78Å; L125-R128 VanDerWaalsContact O-N 3.14Å |
| 129 | V | 38.3 | Very low | 39.1 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 4.5 | -170 | -169.8 | 0 | 0 | 0 | 0 | 113 | L125 I131 | L125-V129 WeakPolarHBondContact O-CG2 3.06Å; L125-V129 PolarHBondContact O-N 3.08Å; L125-V129 VanDerWaalsContact O-N 3.1Å; V129-I131 HydrophobicContact CB-CD1 4.12Å; V129-I131 HydrophobicContact CB-CG1 4.01Å; V129-I131 HydrophobicContact CG1-CD1 3.95Å; V129-I131 HydrophobicContact CG1-CG1 3.87Å; V129-I131 PolarHBondContact O-N 3.48Å; V129-I131 VanDerWaalsContact O-N 3.11Å |
| 130 | G | 28.5 | Very low | 37.7 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.1 | 26.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S132 | G130-S132 PolarHBondContact O-N 3.05Å; G130-S132 VanDerWaalsContact O-N 3.15Å |
| 131 | I | 34 | Very low | 36.2 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | trans | -77.4 | 106.1 | -175.4 | -54.9 | 175.4 | 0 | 0 | 0 | 109 | V129 | V129-I131 HydrophobicContact CB-CD1 4.12Å; V129-I131 HydrophobicContact CB-CG1 4.01Å; V129-I131 HydrophobicContact CG1-CD1 3.95Å; V129-I131 HydrophobicContact CG1-CG1 3.87Å; V129-I131 PolarHBondContact O-N 3.48Å; V129-I131 VanDerWaalsContact O-N 3.11Å | ||
| 132 | S | 29.8 | Very low | 35.1 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | trans | -65.5 | 137.6 | 179.8 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | G130 R134 | G130-S132 PolarHBondContact O-N 3.05Å; G130-S132 VanDerWaalsContact O-N 3.15Å; S132-R134 PolarHBondContact O-N 3.02Å | ||
| 133 | S | 35.3 | Very low | 33.9 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 18.6 | -171.8 | -174.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 134 | R | 29.9 | Very low | 32.5 | Very low | 233 Ų | 233 | 147.3 Ų | 147.3 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 5.3 | -164.4 | -124.6 | 179.3 | -169 | -172.9 | 2.8 | 117.3 | S132 | S132-R134 PolarHBondContact O-N 3.02Š|
| 135 | K | 29.1 | Very low | 31.2 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | trans | -137.7 | 86.7 | 169.2 | -65.8 | -173.8 | -178.9 | -179.7 | 0 | 109.6 | W137 | K135-W137 VanDerWaalsContact C-N 3.35Å; K135-W137 PolarHBondContact O-N 3.47Å | ||
| 136 | Q | 27.2 | Very low | 30.4 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -66.2 | 93.6 | 170.5 | -80.9 | -177.5 | -11.6 | 0 | 0 | 109.3 | W138 | Q136-W138 PolarHBondContact O-N 3.36Å; Q136-W138 VanDerWaalsContact OE1-NE1 3.13Å | ||
| 137 | W | 24.8 | Very low | 29.5 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -81.8 | 100.9 | 157.1 | -70.3 | 73.7 | 0 | 0 | 0 | 106.6 | K135 Y139 | K135-W137 VanDerWaalsContact C-N 3.35Å; K135-W137 PolarHBondContact O-N 3.47Å; W137-Y139 VanDerWaalsContact C-N 3.31Å; W137-Y139 HydrophobicContact CB-CD2 4.5Å; W137-Y139 HydrophobicContact CB-CE2 4.38Å; W137-Y139 PolarHBondContact O-N 2.99Å | ||
| 138 | W | 24.8 | Very low | 28.4 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | trans | -66.4 | 93.5 | 168.4 | -70.7 | 82.7 | 0 | 0 | 0 | 108 | Q136 R140 | Q136-W138 PolarHBondContact O-N 3.36Å; Q136-W138 VanDerWaalsContact OE1-NE1 3.13Å; W138-R140 PolarHBondContact O-N 3.43Å; W138-R140 VanDerWaalsContact O-N 3.15Å | ||
| 139 | Y | 25.2 | Very low | 27.8 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | trans | -70.5 | 105.5 | 159.6 | -82.6 | -82.2 | 0 | 0 | 0 | 107.4 | W137 C141 K335 | W137-Y139 VanDerWaalsContact C-N 3.31Å; W137-Y139 HydrophobicContact CB-CD2 4.5Å; W137-Y139 HydrophobicContact CB-CE2 4.38Å; W137-Y139 PolarHBondContact O-N 2.99Å; Y139-C141 PolarHBondContact O-N 2.93Å; Y139-K335 WeakPolarHBondContact OH-CE 3.34Å; Y139-K335 PolarHBondContact OH-NZ 3.22Å | ||
| 140 | R | 24.1 | Very low | 27.2 | Very low | 245 Ų | 245 | 147.9 Ų | 147.9 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -69.9 | 83 | 168.3 | -155.4 | -175.2 | -154.8 | -163.3 | 6.8 | 107.3 | W138 G142 | W138-R140 PolarHBondContact O-N 3.43Å; W138-R140 VanDerWaalsContact O-N 3.15Å; R140-G142 PolarHBondContact O-N 2.86Å; R140-G142 VanDerWaalsContact O-N 3.09Å | ||
| 141 | C | 26 | Very low | 27.1 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -65.4 | 108 | 162.2 | -73.9 | 0 | 0 | 0 | 0 | 106.7 | Y139 L143 | Y139-C141 PolarHBondContact O-N 2.93Å; C141-L143 PolarHBondContact O-N 3.41Å; C141-L143 VanDerWaalsContact O-N 3.12Å | ||
| 142 | G | 24.6 | Very low | 26.6 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -54.2 | 117.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | R140 A144 | R140-G142 PolarHBondContact O-N 2.86Å; R140-G142 VanDerWaalsContact O-N 3.09Å; G142-A144 VanDerWaalsContact C-N 3.26Å; G142-A144 PolarHBondContact O-N 2.78Å | ||
| 143 | L | 25.9 | Very low | 26.5 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -66 | 88.7 | 163.4 | -96.3 | 131.1 | 0 | 0 | 0 | 107.7 | C141 K145 | C141-L143 PolarHBondContact O-N 3.41Å; C141-L143 VanDerWaalsContact O-N 3.12Å; L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 HydrophobicContact CD2-CG 4.29Å; L143-K145 PolarHBondContact O-N 2.87Å; L143-K145 VanDerWaalsContact O-N 3.14Å | ||
| 144 | A | 26 | Very low | 26 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -74.4 | 90.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | G142 Q146 | G142-A144 VanDerWaalsContact C-N 3.26Å; G142-A144 PolarHBondContact O-N 2.78Å; A144-Q146 VanDerWaalsContact C-N 3.26Å; A144-Q146 PolarHBondContact O-N 2.95Å | ||
| 145 | K | 25.9 | Very low | 25.9 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -68.3 | 90.6 | 159.1 | -78.3 | -177.6 | 175 | -178.8 | 0 | 106.7 | L143 T147 | L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 HydrophobicContact CD2-CG 4.29Å; L143-K145 PolarHBondContact O-N 2.87Å; L143-K145 VanDerWaalsContact O-N 3.14Å; K145-T147 PolarHBondContact O-N 3.37Å | ||
| 146 | Q | 26.5 | Very low | 25.8 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -78.6 | 96 | 156 | -92.1 | -174.7 | -9.7 | 0 | 0 | 107.2 | A144 L148 | A144-Q146 VanDerWaalsContact C-N 3.26Å; A144-Q146 PolarHBondContact O-N 2.95Å; Q146-L148 VanDerWaalsContact C-N 3.29Å; Q146-L148 PolarHBondContact O-N 3.46Å | ||
| 147 | T | 24.5 | Very low | 25.7 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -60.8 | 95.1 | 153.7 | 26.2 | 0 | 0 | 0 | 0 | 107.7 | K145 C149 | K145-T147 PolarHBondContact O-N 3.37Å; T147-C149 PolarHBondContact O-N 3.05Å | ||
| 148 | L | 26.4 | Very low | 25.9 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 102.9 | 156.1 | -98.5 | 103.8 | 0 | 0 | 0 | 106.7 | Q146 | Q146-L148 VanDerWaalsContact C-N 3.29Å; Q146-L148 PolarHBondContact O-N 3.46Å | ||
| 149 | C | 26.7 | Very low | 26 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -86 | 130.2 | 164.7 | -73.2 | 0 | 0 | 0 | 0 | 108.7 | T147 | T147-C149 PolarHBondContact O-N 3.05Š| ||
| 150 | N | 25.3 | Very low | 26.1 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -51.4 | 139.6 | -178.8 | -63 | -36.6 | 0 | 0 | 0 | 113.3 | ||||
| 151 | G | 26.7 | Very low | 26.1 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -144.1 | 83.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 152 | T | 23.5 | Very low | 25.9 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 120.2 | 166 | -29.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 153 | V | 28.1 | Very low | 25.9 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -141.6 | 110.5 | 159.5 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 154 | S | 25.7 | Very low | 25.7 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 138.8 | 160.6 | 64.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 155 | G | 28.1 | Very low | 25.7 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -175.5 | 94.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 156 | Q | 27 | Very low | 25.6 | Very low | 201 Ų | 201 | 133.1 Ų | 133.1 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 138 | 174.8 | -167.7 | 179.2 | 9.4 | 0 | 0 | 111.4 | ||||
| 157 | G | 25.1 | Very low | 25.4 | Very low | 64 Ų | 64 | 133.5 Ų | 133.5 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 87.4 | 113.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 158 | N | 27.6 | Very low | 25.5 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | 39.1 | 91.5 | 138 | -64 | -4.7 | 0 | 0 | 0 | 117.9 | ||||
| 159 | S | 28.1 | Very low | 25.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | 169.1 | 132.3 | 126 | 39.1 | 0 | 0 | 0 | 0 | 107.7 | P161 | S159-P161 WeakPolarHBondContact O-CD 3.27Š| |||
| 160 | E | 25.7 | Very low | 25.3 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -38.5 | 129.6 | 172.6 | -170.6 | -177.9 | -169 | 0 | 0 | 112.7 | ||||
| 161 | P | 24.6 | Very low | 25.5 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | -124.7 | 111.9 | 162 | 30.9 | -14 | 0 | 0 | 0 | 110.9 | S159 V163 | S159-P161 WeakPolarHBondContact O-CD 3.27Å; P161-V163 HydrophobicContact CB-CG2 4.04Å; P161-V163 PolarHBondContact O-N 3.4Å | ||
| 162 | Q | 22.3 | Very low | 25.5 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -50.4 | 124.2 | 144.4 | -62.2 | -177.3 | 21 | 0 | 0 | 108.4 | ||||
| 163 | V | 25.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | -124.5 | 94.8 | 171.5 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | P161 V165 | P161-V163 HydrophobicContact CB-CG2 4.04Å; P161-V163 PolarHBondContact O-N 3.4Å; V163-V165 HydrophobicContact CG1-CG2 3.88Å | ||
| 164 | I | 21.6 | Very low | 25.9 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 121.4 | 156 | -63.4 | 161.6 | 0 | 0 | 0 | 107.7 | ||||
| 165 | V | 24.8 | Very low | 25.9 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -145.7 | 126.8 | 152.8 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | V163 | V163-V165 HydrophobicContact CG1-CG2 3.88Š| ||
| 166 | K | 24.6 | Very low | 26.1 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | -93.6 | 145.6 | -175.6 | -87.8 | 174.6 | 179.1 | 171.8 | 0 | 112.6 | ||||
| 167 | F | 22.7 | Very low | 26.3 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 37.4 | 135.9 | 147.6 | -60.1 | -71.2 | 0 | 0 | 0 | 122.2 | ||||
| 168 | F | 25.6 | Very low | 26.5 | Very low | 222 Ų | 222 | 151.9 Ų | 151.9 | 97% | 0.974 | 80% | 0.803 | S | S | * | * | -142.5 | 141.9 | 121.5 | -98.2 | -80.9 | 0 | 0 | 0 | 111.3 | |||||
| 169 | K | 25 | Very low | 26.8 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -115 | 161.3 | -166.7 | -171.2 | -179.1 | -174.2 | 178.2 | 0 | 110 | ||||
| 170 | A | 24.6 | Very low | 27 | Very low | 90 Ų | 90 | 152.4 Ų | 152.4 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | 115.7 | 137.9 | 159 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 171 | V | 28 | Very low | 27.1 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | cis | -150.1 | 139.4 | 28.6 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 172 | K | 28 | Very low | 27.4 | Very low | 198 Ų | 198 | 155.5 Ų | 155.5 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 142.6 | 174.8 | -75 | 178.2 | 173 | -178.9 | 0 | 112.1 | ||
| 173 | P | 29.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 155 Ų | 155 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 125.7 | 156.2 | 23.6 | -12.1 | 0 | 0 | 0 | 111.3 | ||
| 174 | R | 29.3 | Very low | 28.2 | Very low | 238 Ų | 238 | 158.3 Ų | 158.3 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 145.3 | 171.8 | -87.6 | -180 | 176 | -176.8 | -1.5 | 111.4 | ||
| 175 | A | 26.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 160.7 Ų | 160.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 134.6 | 164 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 176 | V | 32.2 | Very low | 29.1 | Very low | 138 Ų | 138 | 157.8 Ų | 157.8 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -142.7 | 124.5 | 162.9 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 177 | Q | 31.7 | Very low | 29.6 | Very low | 181 Ų | 181 | 156 Ų | 156 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -71.8 | 162.3 | 174.8 | -101.1 | -161.5 | 8.1 | 0 | 0 | 112.5 | ||||
| 178 | P | 29.9 | Very low | 30 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -85.8 | 140.9 | -164.8 | 34.7 | -32 | 0 | 0 | 0 | 111.9 | ||||
| 179 | N | 32.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -163.8 | 128.8 | 147.7 | -106.6 | -36.4 | 0 | 0 | 0 | 112.6 | ||||
| 180 | Q | 32.8 | Very low | 30.8 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | trans | 72.6 | 111.8 | 141.1 | -65 | -177.9 | 24.2 | 0 | 0 | 120.4 | ||||
| 181 | R | 28.1 | Very low | 31.2 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 97.2 | 125.2 | 114.3 | -90.1 | -173.9 | -167.8 | -171.7 | 6 | 119.4 | |||||
| 182 | I | 31.5 | Very low | 31.4 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 73% | 0.728 | 81% | 0.809 | S | S | * | * | trans | 101.5 | 97.7 | 140.8 | -60.5 | 153.6 | 0 | 0 | 0 | 117 | ||||
| 183 | H | 29.9 | Very low | 31.8 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | trans | 22.8 | 129.7 | 132.3 | -66.6 | -63.6 | 0 | 0 | 0 | 121 | ||||
| 184 | Q | 34.8 | Very low | 31.9 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | -179 | 107.5 | 107.9 | -93.7 | 174.8 | 16.3 | 0 | 0 | 108.1 | |||||
| 185 | H | 33.6 | Very low | 32.2 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | 80.3 | 123.4 | 94.9 | -106.3 | -78.2 | 0 | 0 | 0 | 116.8 | |||||
| 186 | G | 30.7 | Very low | 32.6 | Very low | 70 Ų | 70 | 151.8 Ų | 151.8 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 89.5 | 128.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 187 | S | 35.9 | Very low | 32.5 | Very low | 127 Ų | 127 | 149 Ų | 149 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | cis | -155.8 | 148.2 | 14 | -69.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | Q | 31.1 | Very low | 32.7 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -70.8 | 141.4 | -177.2 | -67.5 | -175.1 | -7.9 | 0 | 0 | 113.8 | ||||
| 189 | T | 34.9 | Very low | 32.7 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -128.1 | 113.9 | 143.3 | 26.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 190 | K | 31.8 | Very low | 32.7 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -67.3 | 123.7 | -179.5 | -71.9 | 170.7 | 175.8 | 173.2 | 0 | 110.6 | ||||
| 191 | L | 32.9 | Very low | 32.9 | Very low | 167 Ų | 167 | 149 Ų | 149 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -118.9 | 107.3 | 151.1 | -79.5 | 168.7 | 0 | 0 | 0 | 107.3 | L193 | L191-L193 PolarHBondContact O-N 2.85Š| ||
| 192 | Q | 32.4 | Very low | 33.1 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 122.8 | 175.9 | -79.2 | 175 | -20.8 | 0 | 0 | 109.8 | ||
| 193 | L | 35.4 | Very low | 33.4 | Very low | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76 | 133.8 | 160.2 | -84.6 | 88.2 | 0 | 0 | 0 | 109 | L191 N195 | L191-L193 PolarHBondContact O-N 2.85Å; L193-N195 PolarHBondContact O-N 3.21Å |
| 194 | P | 32.7 | Very low | 33.6 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.9 | 173.3 | 25.8 | -30 | 0 | 0 | 0 | 110.2 | I196 | P194-I196 PolarHBondContact O-N 3.46Š|
| 195 | N | 34.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -72.2 | 102.8 | 174.7 | -168.2 | -5.3 | 0 | 0 | 0 | 109.5 | L193 S197 | L193-N195 PolarHBondContact O-N 3.21Å; N195-S197 VanDerWaalsContact C-N 3.27Å; N195-S197 VanDerWaalsContact CG-OG 3.28Å; N195-S197 PolarHBondContact O-N 3.26Å; N195-S197 PolarHBondContact OD1-OG 3.01Å | ||
| 196 | I | 35.9 | Very low | 33.7 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -88 | 67.4 | 176 | -6.3 | 170.2 | 0 | 0 | 0 | 108.7 | P194 | P194-I196 PolarHBondContact O-N 3.46Š| ||
| 197 | S | 29.6 | Very low | 33.8 | Very low | 79 Ų | 79 | 150.8 Ų | 150.8 | 55% | 0.552 | 81% | 0.811 | S | S | * | * | trans | -135 | 36.2 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | N195 | N195-S197 VanDerWaalsContact C-N 3.27Å; N195-S197 VanDerWaalsContact CG-OG 3.28Å; N195-S197 PolarHBondContact O-N 3.26Å; N195-S197 PolarHBondContact OD1-OG 3.01Å | ||
| 198 | T | 35.3 | Very low | 33.5 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -158.7 | 84.2 | 161.5 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 199 | L | 30.8 | Very low | 33.6 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -108.6 | 84 | 158 | -81.6 | 169.8 | 0 | 0 | 0 | 107.4 | I201 | L199-I201 PolarHBondContact O-N 3.42Š| ||
| 200 | S | 32.4 | Very low | 33.3 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 125.1 | 170.8 | 72.8 | 0 | 0 | 0 | 0 | 109.3 | A202 | S200-A202 PolarHBondContact O-N 2.94Š| ||
| 201 | I | 37.3 | Very low | 33.3 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | trans | -71.8 | 106.1 | 170.1 | -61.3 | 167.6 | 0 | 0 | 0 | 107.1 | L199 | L199-I201 PolarHBondContact O-N 3.42Š| ||
| 202 | A | 31.9 | Very low | 33 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 66% | 0.661 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 129.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S200 | S200-A202 PolarHBondContact O-N 2.94Š|
| 203 | P | 37.4 | Very low | 33 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 125.1 | 174.4 | 29.7 | -29.7 | 0 | 0 | 0 | 110.3 | K205 | P203-K205 PolarHBondContact O-N 3.22Š|
| 204 | R | 34.3 | Very low | 32.8 | Very low | 254 Ų | 254 | 140.9 Ų | 140.9 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70 | 121.6 | 175.6 | -85.9 | -177.7 | 161.7 | -175.4 | -6 | 110.8 | ||
| 205 | K | 38.2 | Very low | 32.9 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 140.6 | 171.7 | -82 | 179.9 | 172.6 | 178.2 | 0 | 112.1 | P203 | P203-K205 PolarHBondContact O-N 3.22Š|
| 206 | K | 31.7 | Very low | 32.6 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 137.7 | 161.5 | -68.2 | 174 | 176.2 | 176.9 | 0 | 109.8 | ||
| 207 | S | 34.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -133.3 | 114.4 | 158.9 | 59.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 208 | S | 29.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -66.4 | 137.1 | 167.8 | 49.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 209 | A | 33.3 | Very low | 32.2 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -144.1 | 131.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 210 | T | 27.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -74 | 136.1 | -165.3 | -38.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 211 | A | 32.2 | Very low | 32.1 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -146 | 109.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 212 | T | 26 | Very low | 31.7 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -78.7 | 126 | -177.2 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 213 | V | 33.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 138 Ų | 138 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -157 | 113.8 | 137.2 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 214 | K | 31.3 | Very low | 31.4 | Very low | 187 Ų | 187 | 138 Ų | 138 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -89.4 | 177.4 | 166.7 | -79.7 | -175.1 | 173 | 175.4 | 0 | 109.1 | ||||
| 215 | P | 34.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | cis | -145 | 177.9 | 10.7 | 39.5 | -19.2 | 0 | 0 | 0 | 117.7 | ||||
| 216 | S | 27.9 | Very low | 31 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 77.4 | 136.2 | 136.3 | -113.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 217 | V | 32.9 | Very low | 31 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | cis | -153.8 | 136 | 18.8 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 218 | A | 29.8 | Very low | 30.6 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 28.5 | 155 | 135 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 219 | A | 30.7 | Very low | 30.7 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | cis | -169.6 | 155.8 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 220 | A | 30.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 69 | 141.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 221 | A | 30.8 | Very low | 30.5 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | cis | -162 | 134.6 | 16.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 222 | Q | 29.2 | Very low | 30.6 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | 74.3 | 124.5 | 123.1 | -69.1 | -172.4 | 22.7 | 0 | 0 | 123.3 | |||||
| 223 | R | 29.6 | Very low | 30.6 | Very low | 211 Ų | 211 | 129.5 Ų | 129.5 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 78.4 | 134.3 | 135.7 | -69.4 | 173.4 | 162.8 | -177.8 | -6 | 116.1 | ||||
| 224 | T | 33.5 | Very low | 30.4 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | cis | -167.4 | 142.8 | 15.3 | 8.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 225 | T | 29.8 | Very low | 30.2 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 8.5 | 151.9 | 154.6 | 40.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 226 | P | 34.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -94.5 | 156 | -177.1 | 39.8 | -33.4 | 0 | 0 | 0 | 113.5 | ||||
| 227 | S | 30.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -170.8 | 120.9 | 162 | 176.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 228 | D | 27.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 130 Ų | 130 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 20.2 | 118.9 | 141.8 | -65.5 | -37.7 | 0 | 0 | 0 | 121.4 | ||||
| 229 | A | 29.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | 168.7 | 137.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 230 | A | 31.2 | Very low | 29.3 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | cis | -159.5 | 145.8 | 4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 231 | T | 26.6 | Very low | 29.2 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -50 | 130.9 | 164.6 | 42 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 232 | S | 33 | Very low | 29 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -145.5 | 88.2 | 154.7 | -176.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 233 | R | 26.3 | Very low | 28.8 | Very low | 226 Ų | 226 | 139.9 Ų | 139.9 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | 43.7 | 90.5 | 91.7 | -73.3 | -168.9 | 172.2 | -173.9 | -0.7 | 114.2 | |||||
| 234 | L | 29.5 | Very low | 28.8 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -165.2 | 81.6 | 144 | -96.5 | 137.5 | 0 | 0 | 0 | 106.8 | ||||
| 235 | S | 27.6 | Very low | 28.5 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 63.7 | 97.2 | 94.2 | -75.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 236 | S | 25.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 43.1 | 107.4 | 133.8 | 63.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 237 | Y | 26.9 | Very low | 28 | Very low | 245 Ų | 245 | 141.2 Ų | 141.2 | 96% | 0.961 | 80% | 0.8 | S | S | * | * | trans | -120.3 | 118.9 | 142.7 | -113 | -96.3 | 0 | 0 | 0 | 109.8 | ||||
| 238 | G | 27.6 | Very low | 27.8 | Very low | 67 Ų | 67 | 147.5 Ų | 147.5 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | -73.5 | 133.9 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K240 | G238-K240 PolarHBondContact O-N 3.43Š| ||
| 239 | R | 26.7 | Very low | 28.1 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -45.1 | 114 | 149.8 | -170.4 | -177.4 | -160.3 | 177.7 | 3.3 | 110.5 | E241 | R239-E241 HydrophobicContact CG-CG 4.34Å; R239-E241 IonicContact CZ-OE1 3.63Å; R239-E241 VanDerWaalsContact CZ-OE1 3.26Å; R239-E241 IonicContact NE-OE1 2.72Å; R239-E241 PolarHBondContact NE-OE1 3.31Å; R239-E241 VanDerWaalsContact NE-OE1 3.08Å; R239-E241 IonicContact NH2-OE1 3.08Å; R239-E241 PolarHBondContact NH2-OE1 3.27Å | ||
| 240 | K | 30.2 | Very low | 28.1 | Very low | 201 Ų | 201 | 152 Ų | 152 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -113.1 | 93.3 | 153.9 | -79.9 | -171.7 | 177.9 | -179.9 | 0 | 107.9 | G238 A242 | G238-K240 PolarHBondContact O-N 3.43Å; K240-A242 PolarHBondContact O-N 3.03Å | ||
| 241 | E | 26.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | trans | -64.8 | 104.4 | 154.1 | -79 | 170.6 | -178.2 | 0 | 0 | 106.7 | R239 A243 | R239-E241 HydrophobicContact CG-CG 4.34Å; R239-E241 IonicContact CZ-OE1 3.63Å; R239-E241 VanDerWaalsContact CZ-OE1 3.26Å; R239-E241 IonicContact NE-OE1 2.72Å; R239-E241 PolarHBondContact NE-OE1 3.31Å; R239-E241 VanDerWaalsContact NE-OE1 3.08Å; R239-E241 IonicContact NH2-OE1 3.08Å; R239-E241 PolarHBondContact NH2-OE1 3.27Å; E241-A243 PolarHBondContact O-N 3.41Å | ||
| 242 | A | 27.1 | Very low | 28.2 | Very low | 89 Ų | 89 | 155.8 Ų | 155.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -88.4 | 97.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | K240 F244 | K240-A242 PolarHBondContact O-N 3.03Å; A242-F244 PolarHBondContact O-N 3.48Å | ||
| 243 | A | 25.2 | Very low | 28.3 | Very low | 89 Ų | 89 | 159.7 Ų | 159.7 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 111 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | E241 | E241-A243 PolarHBondContact O-N 3.41Š| ||
| 244 | F | 28.3 | Very low | 28.7 | Very low | 202 Ų | 202 | 154.2 Ų | 154.2 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -102.8 | 95 | 164.5 | -116.2 | -90.3 | 0 | 0 | 0 | 108.1 | A242 | A242-F244 PolarHBondContact O-N 3.48Š| ||
| 245 | N | 28 | Very low | 28.8 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -77.2 | 128.2 | 163.4 | -83.2 | -32.7 | 0 | 0 | 0 | 108.6 | ||||
| 246 | G | 25 | Very low | 29.1 | Very low | 71 Ų | 71 | 149.9 Ų | 149.9 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 42.4 | 110.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 247 | E | 28.3 | Very low | 29.6 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -155.7 | 135.8 | 130.3 | -115.7 | 166 | -176.4 | 0 | 0 | 110.4 | H249 | E247-H249 PolarHBondContact O-N 3.24Š| ||
| 248 | R | 25.5 | Very low | 29.9 | Very low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 122.9 | 177 | -64 | 179.7 | -177.2 | -167.4 | 1.2 | 107.6 | ||||
| 249 | H | 33.7 | Very low | 30.2 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -128 | 125.6 | 163.4 | -107.5 | -71.2 | 0 | 0 | 0 | 110.8 | E247 | E247-H249 PolarHBondContact O-N 3.24Š| ||
| 250 | E | 31.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -54.9 | 145.1 | 178.9 | -74.7 | 165.5 | 135.1 | 0 | 0 | 112 | S252 | E250-S252 PolarHBondContact O-N 3.27Š| ||
| 251 | Y | 26.8 | Very low | 31 | Very low | 230 Ų | 230 | 133.9 Ų | 133.9 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | -64.4 | 110.6 | 176.5 | -72.1 | -94.1 | 0 | 0 | 0 | 110 | ||||
| 252 | S | 32.5 | Very low | 31.4 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | trans | -83.1 | 133.1 | 164.5 | -152.1 | 0 | 0 | 0 | 0 | 108.8 | E250 D254 | E250-S252 PolarHBondContact O-N 3.27Å; S252-D254 PolarHBondContact O-N 3.22Å; S252-D254 PolarHBondContact OG-OD2 2.87Å | ||
| 253 | E | 35.9 | Very low | 31.7 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 12 | -178.2 | -68.3 | -178 | 141.6 | 0 | 0 | 114.2 | ||
| 254 | D | 32.9 | Very low | 32.1 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 3.7 | -174.1 | -57.1 | -59.6 | 0 | 0 | 0 | 115.1 | S252 S257 | S252-D254 PolarHBondContact O-N 3.22Å; S252-D254 PolarHBondContact OG-OD2 2.87Å; D254-S257 PolarHBondContact O-N 2.95Å |
| 255 | V | 31.6 | Very low | 32.4 | Very low | 93 Ų | 93 | 123.5 Ų | 123.5 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59 | -35.3 | -175.4 | -176 | 0 | 0 | 0 | 0 | 115.3 | S257 V259 | V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.43Å; V255-V259 HydrophobicContact CG1-CG2 4.2Å; V255-V259 WeakPolarHBondContact O-CG2 3.5Å; V255-V259 PolarHBondContact O-N 3.48Å |
| 256 | P | 35.3 | Very low | 32.7 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 56% | 0.558 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.1 | -28.7 | -177.3 | 23.4 | -29.5 | 0 | 0 | 0 | 113 | L260 | P256-L260 WeakPolarHBondContact O-CD1 3.48Å; P256-L260 VanDerWaalsContact O-CG 3.25Å; P256-L260 WeakPolarHBondContact O-CG 3.33Å; P256-L260 PolarHBondContact O-N 3.39Å |
| 257 | S | 35.2 | Very low | 33 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76 | -35.6 | -179.3 | -64.3 | 0 | 0 | 0 | 0 | 113 | D254 V255 R261 | D254-S257 PolarHBondContact O-N 2.95Å; V255-S257 VanDerWaalsContact C-N 3.29Å; V255-S257 PolarHBondContact O-N 3.43Å; S257-R261 WeakPolarHBondContact O-CB 3.29Å; S257-R261 PolarHBondContact O-N 3.27Å |
| 258 | E | 32.9 | Very low | 33 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 38% | 0.379 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.5 | -39.1 | 178.3 | -165.3 | 66 | -147.2 | 0 | 0 | 111.6 | R261 Q262 | E258-R261 VanDerWaalsContact CD-NH1 3.33Å; E258-R261 PolarHBondContact O-N 3.09Å; E258-R261 IonicContact OE1-CZ 3.32Å; E258-R261 IonicContact OE1-NH1 3.36Å; E258-R261 PolarHBondContact OE1-NH1 3.35Å; E258-R261 IonicContact OE1-NH2 2.75Å; E258-R261 PolarHBondContact OE1-NH2 3.1Å; E258-R261 IonicContact OE2-CZ 3.41Å; E258-R261 IonicContact OE2-NH1 2.63Å; E258-R261 PolarHBondContact OE2-NH1 3.09Å; E258-R261 IonicContact OE2-NH2 3.56Å; E258-Q262 WeakPolarHBondContact O-CG 3.29Å; E258-Q262 PolarHBondContact O-N 3.44Å |
| 259 | V | 34.3 | Very low | 33.2 | Very low | 61 Ų | 61 | 117.3 Ų | 117.3 | 37% | 0.37 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65 | -42.5 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | V255 Q262 F263 | V255-V259 HydrophobicContact CG1-CG2 4.2Å; V255-V259 WeakPolarHBondContact O-CG2 3.5Å; V255-V259 PolarHBondContact O-N 3.48Å; V259-Q262 PolarHBondContact O-N 3Å; V259-F263 HydrophobicContact CG1-CD2 4Å; V259-F263 HydrophobicContact CG1-CE2 3.63Å; V259-F263 WeakPolarHBondContact O-CD2 3.47Å; V259-F263 PolarHBondContact O-N 3.37Å |
| 260 | L | 36.6 | Very low | 33 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 46% | 0.461 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.8 | -35.4 | 175.8 | -71.3 | 169.4 | 0 | 0 | 0 | 112.9 | P256 F263 V265 | P256-L260 WeakPolarHBondContact O-CD1 3.48Å; P256-L260 VanDerWaalsContact O-CG 3.25Å; P256-L260 WeakPolarHBondContact O-CG 3.33Å; P256-L260 PolarHBondContact O-N 3.39Å; L260-F263 PolarHBondContact O-N 3.02Å; L260-V265 HydrophobicContact CD2-CG2 4.41Å; L260-V265 PolarHBondContact O-N 3.11Å |
| 261 | R | 36.9 | Very low | 32.9 | Very low | 172 Ų | 172 | 117.2 Ų | 117.2 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.7 | -38.7 | 171.1 | -107.1 | 178.1 | 57.2 | -123.2 | -19.7 | 112.4 | S257 E258 F263 G264 | S257-R261 WeakPolarHBondContact O-CB 3.29Å; S257-R261 PolarHBondContact O-N 3.27Å; E258-R261 VanDerWaalsContact CD-NH1 3.33Å; E258-R261 PolarHBondContact O-N 3.09Å; E258-R261 IonicContact OE1-CZ 3.32Å; E258-R261 IonicContact OE1-NH1 3.36Å; E258-R261 PolarHBondContact OE1-NH1 3.35Å; E258-R261 IonicContact OE1-NH2 2.75Å; E258-R261 PolarHBondContact OE1-NH2 3.1Å; E258-R261 IonicContact OE2-CZ 3.41Å; E258-R261 IonicContact OE2-NH1 2.63Å; E258-R261 PolarHBondContact OE2-NH1 3.09Å; E258-R261 IonicContact OE2-NH2 3.56Å; R261-F263 PolarHBondContact O-N 3.3Å; R261-G264 PolarHBondContact O-N 2.92Å |
| 262 | Q | 36.3 | Very low | 33 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 65% | 0.654 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.1 | -22.6 | 176.3 | -74.9 | 174.9 | 2.5 | 0 | 0 | 113.5 | E258 V259 | E258-Q262 WeakPolarHBondContact O-CG 3.29Å; E258-Q262 PolarHBondContact O-N 3.44Å; V259-Q262 PolarHBondContact O-N 3Å |
| 263 | F | 33.3 | Very low | 32.9 | Very low | 84 Ų | 84 | 120.5 Ų | 120.5 | 37% | 0.368 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.6 | 2.8 | 176.3 | -72.7 | -67.1 | 0 | 0 | 0 | 114.5 | V259 L260 R261 V265 | V259-F263 HydrophobicContact CG1-CD2 4Å; V259-F263 HydrophobicContact CG1-CE2 3.63Å; V259-F263 WeakPolarHBondContact O-CD2 3.47Å; V259-F263 PolarHBondContact O-N 3.37Å; L260-F263 PolarHBondContact O-N 3.02Å; R261-F263 PolarHBondContact O-N 3.3Å; F263-V265 HydrophobicContact CB-CG2 3.84Å; F263-V265 PolarHBondContact O-N 3.21Å |
| 264 | G | 32.4 | Very low | 32.7 | Very low | 29 Ų | 29 | 121.3 Ų | 121.3 | 30% | 0.299 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.4 | 28.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R261 E266 | R261-G264 PolarHBondContact O-N 2.92Å; G264-E266 PolarHBondContact O-N 3.21Å |
| 265 | V | 35.2 | Very low | 32.5 | Very low | 56 Ų | 56 | 120.8 Ų | 120.8 | 34% | 0.339 | 63% | 0.634 | S | S | . | * | trans | -76.2 | 75.9 | 179.4 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | L260 F263 G267 | L260-V265 HydrophobicContact CD2-CG2 4.41Å; L260-V265 PolarHBondContact O-N 3.11Å; F263-V265 HydrophobicContact CB-CG2 3.84Å; F263-V265 PolarHBondContact O-N 3.21Å; V265-G267 PolarHBondContact O-N 2.89Å; V265-G267 VanDerWaalsContact O-N 3.17Å | ||
| 266 | E | 35 | Very low | 32.3 | Very low | 163 Ų | 163 | 119.8 Ų | 119.8 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | trans | -76.3 | 93.2 | 160.3 | -74.5 | -175.4 | 177.5 | 0 | 0 | 107.6 | G264 I268 | G264-E266 PolarHBondContact O-N 3.21Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 3.14Å | ||
| 267 | G | 31.1 | Very low | 32 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | trans | -68.4 | 91.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | V265 L269 | V265-G267 PolarHBondContact O-N 2.89Å; V265-G267 VanDerWaalsContact O-N 3.17Å; G267-L269 PolarHBondContact O-N 3.1Å | ||
| 268 | I | 28.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | trans | -74 | 84 | 168.2 | -45.6 | 173.9 | 0 | 0 | 0 | 106.8 | E266 N270 | E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 3.14Å; I268-N270 PolarHBondContact O-N 3.33Å | ||
| 269 | L | 30.4 | Very low | 31.5 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | trans | -63.8 | 122.1 | 153.8 | -76.4 | 167.2 | 0 | 0 | 0 | 105.4 | G267 E271 | G267-L269 PolarHBondContact O-N 3.1Å; L269-E271 PolarHBondContact O-N 2.86Å | ||
| 270 | N | 28.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | trans | -59.9 | 100.4 | 175.5 | -87 | -21.5 | 0 | 0 | 0 | 108.7 | I268 R272 | I268-N270 PolarHBondContact O-N 3.33Å; N270-R272 VanDerWaalsContact C-N 3.28Å; N270-R272 PolarHBondContact O-N 3.04Å | ||
| 271 | E | 28.8 | Very low | 31 | Very low | 205 Ų | 205 | 140.9 Ų | 140.9 | 96% | 0.958 | 73% | 0.729 | S | S | * | * | trans | -65.5 | 94 | 154.9 | -72.8 | -175 | 157.4 | 0 | 0 | 107.2 | L269 | L269-E271 PolarHBondContact O-N 2.86Š| ||
| 272 | R | 29.5 | Very low | 30.6 | Very low | 214 Ų | 214 | 135.9 Ų | 135.9 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -109 | 119.6 | 165.1 | -163.6 | 173.1 | -175.1 | 169.5 | 3.6 | 106.4 | N270 | N270-R272 VanDerWaalsContact C-N 3.28Å; N270-R272 PolarHBondContact O-N 3.04Å | ||
| 273 | E | 30.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 83.2 | 65.3 | 168.9 | -66.7 | 163.3 | -161.5 | 0 | 0 | 118 | ||||
| 274 | Q | 30.6 | Very low | 30.2 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 97% | 0.967 | 76% | 0.756 | S | S | * | * | trans | -120.6 | 69.6 | 139.6 | -87.6 | -169 | 7.3 | 0 | 0 | 109.5 | ||||
| 275 | A | 28.8 | Very low | 30.2 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -112.2 | 105.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 276 | G | 27.5 | Very low | 30.1 | Very low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 101 | 87.7 | 165 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 277 | S | 30.7 | Very low | 30 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -174.7 | 76.3 | 133.4 | -81.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 278 | R | 28.6 | Very low | 30 | Very low | 238 Ų | 238 | 148.2 Ų | 148.2 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -79.3 | 116.7 | 170.1 | -170.2 | 177.9 | 176.2 | -176.6 | -0.7 | 107.4 | ||||
| 279 | S | 28.3 | Very low | 30.2 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 59% | 0.594 | 81% | 0.809 | S | S | * | * | trans | 41.9 | 113.8 | 152.9 | 66.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 280 | H | 31 | Very low | 30.4 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | 171.2 | 130.1 | 105.1 | -108.8 | -87.9 | 0 | 0 | 0 | 110.2 | |||||
| 281 | F | 28.8 | Very low | 30.2 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -46.6 | 135.8 | 157.4 | -101.6 | -106.9 | 0 | 0 | 0 | 111 | ||||
| 282 | G | 29.7 | Very low | 30.3 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 151.5 | 90.3 | 160 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 283 | Q | 33.3 | Very low | 30.2 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 59.4 | 110.8 | 135.5 | -63.6 | 179.7 | 15.4 | 0 | 0 | 120.5 | ||||
| 284 | N | 27.4 | Very low | 30.2 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | 69.5 | 129.7 | 121.5 | -53.7 | -4.9 | 0 | 0 | 0 | 121.9 | |||||
| 285 | S | 32.5 | Very low | 29.9 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | 77 | 120.9 | 136.2 | 43.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 286 | D | 31.7 | Very low | 29.8 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | 72.5 | 121.8 | 138.1 | -54.6 | -26.6 | 0 | 0 | 0 | 120.1 | ||||
| 287 | G | 34.3 | Very low | 29.7 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 151.5 | 68.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 288 | N | 31.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 30.9 | 116.9 | 136.6 | -79.4 | -20.7 | 0 | 0 | 0 | 122.2 | ||||
| 289 | L | 31.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | 70.4 | 162.5 | 120.2 | -68.2 | 167.2 | 0 | 0 | 0 | 119.8 | |||||
| 290 | P | 34.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | cis | -149.6 | -179.7 | -38.1 | 42.8 | -25.3 | 0 | 0 | 0 | 116.2 | ||||
| 291 | L | 25.3 | Very low | 29.7 | Very low | 142 Ų | 142 | 130 Ų | 130 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 63.1 | 113.1 | 139.4 | -127.4 | 66.8 | 0 | 0 | 0 | 121.3 | Q293 | L291-Q293 HydrophobicContact CG-CB 4.49Š| ||
| 292 | A | 31.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 128 Ų | 128 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | -141.6 | 129 | 127.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 293 | Q | 27.3 | Very low | 29.8 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -111 | 132.8 | -154.5 | 176.3 | -174.1 | 15.8 | 0 | 0 | 109.2 | L291 | L291-Q293 HydrophobicContact CG-CB 4.49Š| ||
| 294 | I | 29.1 | Very low | 29.7 | Very low | 180 Ų | 180 | 130 Ų | 130 | 92% | 0.923 | 78% | 0.779 | S | S | * | * | trans | -138 | 109.8 | 144.9 | -58 | -177.1 | 0 | 0 | 0 | 107.3 | ||||
| 295 | A | 24.9 | Very low | 29.7 | Very low | 57 Ų | 57 | 130.4 Ų | 130.4 | 47% | 0.471 | 79% | 0.787 | S | S | . | * | trans | -95 | 148.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 296 | C | 26.4 | Very low | 29.9 | Very low | 140 Ų | 140 | 131 Ų | 131 | 95% | 0.946 | 79% | 0.786 | S | S | * | * | trans | -146.6 | 95.5 | 138 | -91.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 297 | Q | 26.8 | Very low | 29.9 | Very low | 190 Ų | 190 | 129.5 Ų | 129.5 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -83.2 | 138.4 | 168.3 | -65.4 | 178.3 | 18.9 | 0 | 0 | 108.9 | ||||
| 298 | S | 27.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -151.6 | 105.5 | 145 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 299 | A | 30.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 63.4 | 109.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 300 | S | 28 | Very low | 29.8 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -87.5 | 151.7 | 149.6 | -165.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 301 | P | 32.9 | Very low | 29.8 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | -131.9 | 166.2 | 68.1 | 27.9 | -5.7 | 0 | 0 | 0 | 110.3 | |||||
| 302 | E | 30.5 | Very low | 30.1 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | cis | -176.6 | 130.9 | 48 | -145.4 | 168 | 134.3 | 0 | 0 | 106.1 | ||||
| 303 | S | 29.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 51.9 | 87.7 | 144.8 | -47.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 304 | Q | 30.7 | Very low | 30.4 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -153.3 | 105.2 | 137.7 | -110.8 | 173 | 36.4 | 0 | 0 | 109.3 | V306 | Q304-V306 VanDerWaalsContact C-N 3.32Å; Q304-V306 HydrophobicContact CB-CG2 4.41Å; Q304-V306 PolarHBondContact O-N 2.95Å | ||
| 305 | T | 27.7 | Very low | 30.6 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -59.7 | 92.6 | 165.1 | 39.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 306 | V | 37.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 65% | 0.648 | 79% | 0.789 | S | S | * | * | trans | -99.2 | 105.9 | 167.4 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | Q304 S308 | Q304-V306 VanDerWaalsContact C-N 3.32Å; Q304-V306 HydrophobicContact CB-CG2 4.41Å; Q304-V306 PolarHBondContact O-N 2.95Å; V306-S308 PolarHBondContact O-N 3.22Å; V306-S308 PolarHBondContact O-OG 3.48Å | ||
| 307 | D | 30 | Very low | 32.1 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -44.9 | 109.5 | 174.2 | -81.3 | -40.9 | 0 | 0 | 0 | 110.4 | S309 | D307-S309 PolarHBondContact O-N 2.98Å; D307-S309 VanDerWaalsContact O-N 3.08Å | ||
| 308 | S | 30.4 | Very low | 33.2 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -83.9 | 36.2 | -179 | -59.4 | 0 | 0 | 0 | 0 | 112 | V306 | V306-S308 PolarHBondContact O-N 3.22Å; V306-S308 PolarHBondContact O-OG 3.48Å | ||
| 309 | S | 32.6 | Very low | 34.1 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -105.9 | 15.3 | -174.3 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | D307 | D307-S309 PolarHBondContact O-N 2.98Å; D307-S309 VanDerWaalsContact O-N 3.08Å | ||
| 310 | S | 33.7 | Very low | 34.8 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -118 | 13.8 | -172.6 | 67.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 311 | I | 34.7 | Very low | 35.6 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 80% | 0.795 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.4 | 2.8 | -176.8 | -56.5 | 177.7 | 0 | 0 | 0 | 113.2 | ||
| 312 | E | 31.1 | Very low | 36.3 | Very low | 196 Ų | 196 | 124.5 Ų | 124.5 | 92% | 0.916 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -109.9 | 73.3 | 175.8 | -70.8 | -160.7 | 147.2 | 0 | 0 | 112.9 | ||
| 313 | A | 31.7 | Very low | 37.3 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 76% | 0.76 | 68% | 0.678 | S | S | * | * | trans | -158.7 | 17.2 | 169 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 314 | S | 31.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | trans | -102.6 | 27.2 | 179.3 | -53.1 | 0 | 0 | 0 | 0 | 113 | S316 | S314-S316 PolarHBondContact O-N 3.08Å; S314-S316 VanDerWaalsContact O-N 3.15Å | ||
| 315 | Q | 34 | Very low | 39.6 | Very low | 185 Ų | 185 | 117.8 Ų | 117.8 | 86% | 0.864 | 65% | 0.652 | S | S | * | * | trans | -70.6 | 109 | 165 | -70.8 | -160.5 | 23.8 | 0 | 0 | 107 | E317 | Q315-E317 PolarHBondContact O-N 2.91Š| ||
| 316 | S | 41 | Very low | 40.9 | Very low | 66 Ų | 66 | 111.5 Ų | 111.5 | 46% | 0.462 | 61% | 0.613 | S | S | . | * | trans | -63 | 88.7 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 109.6 | Q12 S314 V318 | Q12-S316 PolarHBondContact NE2-OG 2.79Å; Q12-S316 PolarHBondContact OE1-OG 2.97Å; Q12-S316 VanDerWaalsContact OE1-OG 3.05Å; S314-S316 PolarHBondContact O-N 3.08Å; S314-S316 VanDerWaalsContact O-N 3.15Å; S316-V318 VanDerWaalsContact C-N 3.34Å; S316-V318 PolarHBondContact O-N 3.38Å | ||
| 317 | E | 42 | Very low | 42 | Very low | 168 Ų | 168 | 109.2 Ų | 109.2 | 79% | 0.785 | 60% | 0.599 | S | S | * | * | trans | -64.2 | 98.3 | 171.9 | -160.1 | 172.4 | -159.4 | 0 | 0 | 106.2 | Q315 P319 | Q315-E317 PolarHBondContact O-N 2.91Å; E317-P319 VanDerWaalsContact O-CD 3.27Å; E317-P319 WeakPolarHBondContact O-CD 3.37Å; E317-P319 VanDerWaalsContact O-N 3.08Å | ||
| 318 | V | 50 | Low | 43.5 | Very low | 37 Ų | 37 | 108.1 Ų | 108.1 | 22% | 0.224 | 59% | 0.593 | C | S | . | * | trans | -57.9 | 118.9 | 170.5 | 175.1 | 0 | 0 | 0 | 0 | 105 | L14 S316 Q320 L322 | L14-V318 HydrophobicContact CD1-CG2 4.26Å; S316-V318 VanDerWaalsContact C-N 3.34Å; S316-V318 PolarHBondContact O-N 3.38Å; V318-Q320 PolarHBondContact O-N 2.94Å; V318-Q320 VanDerWaalsContact O-N 3.1Å; V318-L322 HydrophobicContact CG1-CB 4.12Å | ||
| 319 | P | 45.4 | Very low | 44.7 | Very low | 46 Ų | 46 | 104.2 Ų | 104.2 | 30% | 0.299 | 57% | 0.566 | S | S | . | * | trans | -57.3 | 126.1 | -174.8 | -18 | 25.2 | 0 | 0 | 0 | 108.8 | E317 Y321 L322 | E317-P319 VanDerWaalsContact O-CD 3.27Å; E317-P319 WeakPolarHBondContact O-CD 3.37Å; E317-P319 VanDerWaalsContact O-N 3.08Å; P319-Y321 HydrophobicContact CB-CD1 3.49Å; P319-Y321 VanDerWaalsContact CB-CD1 3.49Å; P319-Y321 HydrophobicContact CB-CD2 4.3Å; P319-Y321 HydrophobicContact CB-CE1 3.03Å; P319-Y321 HydrophobicContact CB-CE2 3.9Å; P319-Y321 HydrophobicContact CB-CG 4.11Å; P319-Y321 HydrophobicContact CG-CE1 3.97Å; P319-Y321 HydrophobicContact CG-CE2 4.39Å; P319-Y321 WeakPolarHBondContact CG-OH 3.5Å; P319-Y321 PolarHBondContact O-N 3.22Å; P319-L322 HydrophobicContact CB-CD1 4.08Å; P319-L322 HydrophobicContact CG-CD1 3.75Å; P319-L322 WeakPolarHBondContact O-CB 3.03Å; P319-L322 PolarHBondContact O-N 2.96Å | ||
| 320 | Q | 45.7 | Very low | 46 | Very low | 154 Ų | 154 | 99.8 Ų | 99.8 | 72% | 0.72 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.1 | -171.8 | -68.4 | -179.7 | 1.3 | 0 | 0 | 112.7 | V318 L322 I323 P324 | V318-Q320 PolarHBondContact O-N 2.94Å; V318-Q320 VanDerWaalsContact O-N 3.1Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 2.85Å; Q320-I323 PolarHBondContact O-N 2.89Å; Q320-P324 WeakPolarHBondContact O-CD 3.19Å |
| 321 | Y | 45.8 | Very low | 47.4 | Very low | 174 Ų | 174 | 98 Ų | 98 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.9 | 172.8 | 64.2 | -102.3 | 0 | 0 | 0 | 114.6 | P319 I323 | P319-Y321 HydrophobicContact CB-CD1 3.49Å; P319-Y321 VanDerWaalsContact CB-CD1 3.49Å; P319-Y321 HydrophobicContact CB-CD2 4.3Å; P319-Y321 HydrophobicContact CB-CE1 3.03Å; P319-Y321 HydrophobicContact CB-CE2 3.9Å; P319-Y321 HydrophobicContact CB-CG 4.11Å; P319-Y321 HydrophobicContact CG-CE1 3.97Å; P319-Y321 HydrophobicContact CG-CE2 4.39Å; P319-Y321 WeakPolarHBondContact CG-OH 3.5Å; P319-Y321 PolarHBondContact O-N 3.22Å; Y321-I323 VanDerWaalsContact C-N 3.34Å |
| 322 | L | 47.4 | Very low | 48.7 | Very low | 50 Ų | 50 | 96.6 Ų | 96.6 | 26% | 0.262 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.4 | -29.7 | 175.8 | -109.1 | 103.7 | 0 | 0 | 0 | 112 | V318 P319 Q320 W325 L326 | V318-L322 HydrophobicContact CG1-CB 4.12Å; P319-L322 HydrophobicContact CB-CD1 4.08Å; P319-L322 HydrophobicContact CG-CD1 3.75Å; P319-L322 WeakPolarHBondContact O-CB 3.03Å; P319-L322 PolarHBondContact O-N 2.96Å; Q320-L322 VanDerWaalsContact C-N 3.3Å; Q320-L322 PolarHBondContact O-N 2.85Å; L322-W325 PolarHBondContact O-N 2.74Å; L322-L326 HydrophobicContact CB-CD1 4.45Å; L322-L326 HydrophobicContact CD2-CD1 4.19Å; L322-L326 VanDerWaalsContact O-CB 3.29Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 WeakPolarHBondContact O-CD1 3.43Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 3.41Å |
| 323 | I | 50.1 | Low | 50.3 | Low | 92 Ų | 92 | 90 Ų | 90 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -48.7 | -175 | -59.3 | 171.4 | 0 | 0 | 0 | 111.3 | Q320 Y321 W325 L326 T327 | Q320-I323 PolarHBondContact O-N 2.89Å; Y321-I323 VanDerWaalsContact C-N 3.34Å; I323-W325 PolarHBondContact O-N 3.37Å; I323-L326 PolarHBondContact O-N 3.44Å; I323-T327 WeakPolarHBondContact O-CB 3.39Å; I323-T327 PolarHBondContact O-N 2.97Å; I323-T327 PolarHBondContact O-OG1 3.05Å |
| 324 | P | 53.3 | Low | 51.8 | Low | 75 Ų | 75 | 86.1 Ų | 86.1 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 172.5 | -24.8 | 34.1 | 0 | 0 | 0 | 112.8 | Q320 L326 T327 D328 | Q320-P324 WeakPolarHBondContact O-CD 3.19Å; P324-L326 PolarHBondContact O-N 3.38Å; P324-T327 PolarHBondContact O-N 3.15Å; P324-D328 WeakPolarHBondContact O-CB 3.3Å; P324-D328 PolarHBondContact O-N 3.11Å |
| 325 | W | 55.8 | Low | 53.5 | Low | 143 Ų | 143 | 84.5 Ų | 84.5 | 54% | 0.542 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | -179.5 | -178.5 | 84.2 | 0 | 0 | 0 | 112.9 | L322 I323 S329 | L322-W325 PolarHBondContact O-N 2.74Å; I323-W325 PolarHBondContact O-N 3.37Å; W325-S329 VanDerWaalsContact O-CB 3.3Å; W325-S329 WeakPolarHBondContact O-CB 3.35Å; W325-S329 PolarHBondContact O-N 3.17Å; W325-S329 PolarHBondContact O-OG 2.85Å |
| 326 | L | 56.2 | Low | 54.9 | Low | 18 Ų | 18 | 83.1 Ų | 83.1 | 9% | 0.094 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 173.7 | -80.4 | 163.9 | 0 | 0 | 0 | 110.9 | L322 I323 P324 S329 V330 | L322-L326 HydrophobicContact CB-CD1 4.45Å; L322-L326 HydrophobicContact CD2-CD1 4.19Å; L322-L326 VanDerWaalsContact O-CB 3.29Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 WeakPolarHBondContact O-CD1 3.43Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 3.41Å; I323-L326 PolarHBondContact O-N 3.44Å; P324-L326 PolarHBondContact O-N 3.38Å; L326-S329 PolarHBondContact O-N 3.04Å; L326-V330 WeakPolarHBondContact O-CB 3.34Å; L326-V330 WeakPolarHBondContact O-CG2 3.29Å; L326-V330 PolarHBondContact O-N 2.77Å |
| 327 | T | 60.1 | Low | 55.9 | Low | 58 Ų | 58 | 87.1 Ų | 87.1 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | I323 P324 S329 V330 S331 | I323-T327 WeakPolarHBondContact O-CB 3.39Å; I323-T327 PolarHBondContact O-N 2.97Å; I323-T327 PolarHBondContact O-OG1 3.05Å; P324-T327 PolarHBondContact O-N 3.15Å; T327-S329 PolarHBondContact O-N 2.87Å; T327-V330 PolarHBondContact O-N 2.8Å; T327-S331 VanDerWaalsContact O-CB 3.23Å; T327-S331 WeakPolarHBondContact O-CB 3.37Å; T327-S331 PolarHBondContact O-N 3.46Å |
| 328 | D | 61.2 | Low | 57 | Low | 113 Ų | 113 | 81.7 Ų | 81.7 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 176 | -76.6 | -14.5 | 0 | 0 | 0 | 111.7 | P324 S331 L332 | P324-D328 WeakPolarHBondContact O-CB 3.3Å; P324-D328 PolarHBondContact O-N 3.11Å; D328-S331 PolarHBondContact O-N 3.18Å; D328-L332 WeakPolarHBondContact O-CB 3.22Å; D328-L332 PolarHBondContact O-N 3.49Å |
| 329 | S | 55.6 | Low | 57.7 | Low | 37 Ų | 37 | 84.1 Ų | 84.1 | 26% | 0.259 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 178.8 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | W325 L326 T327 L332 V333 | W325-S329 VanDerWaalsContact O-CB 3.3Å; W325-S329 WeakPolarHBondContact O-CB 3.35Å; W325-S329 PolarHBondContact O-N 3.17Å; W325-S329 PolarHBondContact O-OG 2.85Å; L326-S329 PolarHBondContact O-N 3.04Å; T327-S329 PolarHBondContact O-N 2.87Å; S329-L332 PolarHBondContact O-N 3.45Å; S329-V333 WeakPolarHBondContact O-CG2 2.96Å; S329-V333 PolarHBondContact O-N 3.19Å; S329-V333 VanDerWaalsContact O-N 3.09Å |
| 330 | V | 60.2 | Low | 58.5 | Low | 12 Ų | 12 | 86.6 Ų | 86.6 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.4 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | V18 L43 F45 L326 T327 L332 V333 I334 | V18-V330 HydrophobicContact CG2-CG1 4.41Å; L43-V330 HydrophobicContact CD1-CG2 4.32Å; L43-V330 HydrophobicContact CD2-CG2 3.62Å; F45-V330 HydrophobicContact CE1-CG1 4.15Å; L326-V330 WeakPolarHBondContact O-CB 3.34Å; L326-V330 WeakPolarHBondContact O-CG2 3.29Å; L326-V330 PolarHBondContact O-N 2.77Å; T327-V330 PolarHBondContact O-N 2.8Å; V330-L332 VanDerWaalsContact C-N 3.34Å; V330-L332 PolarHBondContact O-N 2.84Å; V330-V333 PolarHBondContact O-N 2.93Å; V330-I334 HydrophobicContact CG1-CD1 3.6Å; V330-I334 HydrophobicContact CG1-CG1 4.31Å; V330-I334 WeakPolarHBondContact O-CB 3.42Å; V330-I334 VanDerWaalsContact O-CG1 3.26Å; V330-I334 WeakPolarHBondContact O-CG1 3.26Å; V330-I334 PolarHBondContact O-N 3.45Å |
| 331 | S | 62.5 | Low | 59.3 | Low | 64 Ų | 64 | 83.7 Ų | 83.7 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59 | -44 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | T327 D328 V333 I334 K335 | T327-S331 VanDerWaalsContact O-CB 3.23Å; T327-S331 WeakPolarHBondContact O-CB 3.37Å; T327-S331 PolarHBondContact O-N 3.46Å; D328-S331 PolarHBondContact O-N 3.18Å; S331-V333 PolarHBondContact O-N 3.5Å; S331-I334 PolarHBondContact O-N 2.85Å; S331-K335 WeakPolarHBondContact O-CB 3.49Å; S331-K335 PolarHBondContact O-N 2.87Å |
| 332 | L | 62.9 | Low | 60.2 | Low | 125 Ų | 125 | 80 Ų | 80 | 65% | 0.654 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 177.3 | -169.2 | 73.9 | 0 | 0 | 0 | 112.1 | D328 S329 V330 K335 Y336 | D328-L332 WeakPolarHBondContact O-CB 3.22Å; D328-L332 PolarHBondContact O-N 3.49Å; S329-L332 PolarHBondContact O-N 3.45Å; V330-L332 VanDerWaalsContact C-N 3.34Å; V330-L332 PolarHBondContact O-N 2.84Å; L332-K335 PolarHBondContact O-N 3.38Å; L332-Y336 WeakPolarHBondContact O-CB 3.35Å; L332-Y336 PolarHBondContact O-N 2.91Å |
| 333 | V | 64.3 | Low | 60.9 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 179 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | F45 S329 V330 S331 Y336 R337 | F45-V333 HydrophobicContact CE1-CG1 4.48Å; F45-V333 HydrophobicContact CE2-CG1 3.89Å; F45-V333 HydrophobicContact CZ-CB 4.2Å; F45-V333 HydrophobicContact CZ-CG1 3.75Å; S329-V333 WeakPolarHBondContact O-CG2 2.96Å; S329-V333 PolarHBondContact O-N 3.19Å; S329-V333 VanDerWaalsContact O-N 3.09Å; V330-V333 PolarHBondContact O-N 2.93Å; S331-V333 PolarHBondContact O-N 3.5Å; V333-Y336 PolarHBondContact O-N 2.78Å; V333-R337 PolarHBondContact O-N 3.31Å |
| 334 | I | 62.9 | Low | 61.4 | Low | 10 Ų | 10 | 85.3 Ų | 85.3 | 5% | 0.051 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 176.3 | -68.5 | 169.7 | 0 | 0 | 0 | 109.8 | V18 M20 F45 V330 S331 Y336 R337 L338 | V18-I334 HydrophobicContact CG1-CD1 4.36Å; M20-I334 HydrophobicContact SD-CG2 3.88Å; F45-I334 HydrophobicContact CD1-CG1 4.45Å; F45-I334 HydrophobicContact CE1-CD1 4.33Å; F45-I334 HydrophobicContact CE1-CG1 3.92Å; V330-I334 HydrophobicContact CG1-CD1 3.6Å; V330-I334 HydrophobicContact CG1-CG1 4.31Å; V330-I334 WeakPolarHBondContact O-CB 3.42Å; V330-I334 VanDerWaalsContact O-CG1 3.26Å; V330-I334 WeakPolarHBondContact O-CG1 3.26Å; V330-I334 PolarHBondContact O-N 3.45Å; S331-I334 PolarHBondContact O-N 2.85Å; I334-Y336 VanDerWaalsContact C-N 3.33Å; I334-Y336 PolarHBondContact O-N 2.76Å; I334-R337 PolarHBondContact O-N 3.39Å; I334-L338 HydrophobicContact CG2-CD1 3.81Å; I334-L338 HydrophobicContact CG2-CG 4.32Å; I334-L338 WeakPolarHBondContact O-CB 3.42Å; I334-L338 WeakPolarHBondContact O-CG 3.26Å; I334-L338 PolarHBondContact O-N 2.86Å |
| 335 | K | 66.9 | Low | 61.5 | Low | 88 Ų | 88 | 85.5 Ų | 85.5 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 178 | -172.4 | 171.5 | -177.9 | 174.5 | 0 | 112.3 | Y139 S331 L332 N339 | Y139-K335 WeakPolarHBondContact OH-CE 3.34Å; Y139-K335 PolarHBondContact OH-NZ 3.22Å; S331-K335 WeakPolarHBondContact O-CB 3.49Å; S331-K335 PolarHBondContact O-N 2.87Å; L332-K335 PolarHBondContact O-N 3.38Å; K335-N339 WeakPolarHBondContact O-CB 3.46Å; K335-N339 VanDerWaalsContact O-CG 3.32Å; K335-N339 PolarHBondContact O-N 2.81Å |
| 336 | Y | 63.5 | Low | 61.4 | Low | 156 Ų | 156 | 81.9 Ų | 81.9 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.6 | -45.5 | 175.3 | -177.9 | -97.8 | 0 | 0 | 0 | 111.7 | L332 V333 I334 N339 M340 | L332-Y336 WeakPolarHBondContact O-CB 3.35Å; L332-Y336 PolarHBondContact O-N 2.91Å; V333-Y336 PolarHBondContact O-N 2.78Å; I334-Y336 VanDerWaalsContact C-N 3.33Å; I334-Y336 PolarHBondContact O-N 2.76Å; Y336-N339 PolarHBondContact O-N 3.16Å; Y336-M340 HydrophobicContact CD1-CG 4.38Å; Y336-M340 HydrophobicContact CE1-CG 3.98Å; Y336-M340 WeakPolarHBondContact O-CG 3.44Å; Y336-M340 PolarHBondContact O-N 2.98Å |
| 337 | R | 62.1 | Low | 61.3 | Low | 150 Ų | 150 | 86.8 Ų | 86.8 | 57% | 0.566 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 177.3 | -77 | -169.4 | 173.6 | -131.4 | 0.3 | 112.7 | V333 I334 M340 L341 | V333-R337 PolarHBondContact O-N 3.31Å; I334-R337 PolarHBondContact O-N 3.39Å; R337-M340 PolarHBondContact O-N 3.04Å; R337-L341 WeakPolarHBondContact O-CG 3.41Å; R337-L341 PolarHBondContact O-N 2.76Å |
| 338 | L | 65.6 | Low | 60.5 | Low | 54 Ų | 54 | 91.1 Ų | 91.1 | 28% | 0.283 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 175.4 | -75.5 | 171.6 | 0 | 0 | 0 | 111.3 | M20 I334 M340 L341 L342 | M20-L338 HydrophobicContact SD-CD1 4.43Å; I334-L338 HydrophobicContact CG2-CD1 3.81Å; I334-L338 HydrophobicContact CG2-CG 4.32Å; I334-L338 WeakPolarHBondContact O-CB 3.42Å; I334-L338 WeakPolarHBondContact O-CG 3.26Å; I334-L338 PolarHBondContact O-N 2.86Å; L338-M340 VanDerWaalsContact C-N 3.29Å; L338-M340 PolarHBondContact O-N 3.23Å; L338-L341 PolarHBondContact O-N 2.84Å; L338-L342 WeakPolarHBondContact O-CB 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.39Å; L338-L342 PolarHBondContact O-N 3.07Å |
| 339 | N | 63.6 | Low | 59.6 | Low | 89 Ų | 89 | 93 Ų | 93 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 174.5 | -80.4 | -11.9 | 0 | 0 | 0 | 112 | K335 Y336 L343 | K335-N339 WeakPolarHBondContact O-CB 3.46Å; K335-N339 VanDerWaalsContact O-CG 3.32Å; K335-N339 PolarHBondContact O-N 2.81Å; Y336-N339 PolarHBondContact O-N 3.16Å; N339-L343 WeakPolarHBondContact O-CB 3.42Å; N339-L343 PolarHBondContact O-N 2.98Å |
| 340 | M | 62.9 | Low | 58.9 | Low | 97 Ų | 97 | 94.2 Ų | 94.2 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 175.5 | -74.9 | -61.6 | -60.7 | 0 | 0 | 112.6 | Y336 R337 L338 L343 R344 | Y336-M340 HydrophobicContact CD1-CG 4.38Å; Y336-M340 HydrophobicContact CE1-CG 3.98Å; Y336-M340 WeakPolarHBondContact O-CG 3.44Å; Y336-M340 PolarHBondContact O-N 2.98Å; R337-M340 PolarHBondContact O-N 3.04Å; L338-M340 VanDerWaalsContact C-N 3.29Å; L338-M340 PolarHBondContact O-N 3.23Å; M340-L343 PolarHBondContact O-N 3.23Å; M340-R344 WeakPolarHBondContact O-CB 3.45Å; M340-R344 PolarHBondContact O-N 2.93Å |
| 341 | L | 62.3 | Low | 58.3 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 174.7 | -70.7 | 172.1 | 0 | 0 | 0 | 111.5 | R337 L338 L343 R344 D345 | R337-L341 WeakPolarHBondContact O-CG 3.41Å; R337-L341 PolarHBondContact O-N 2.76Å; L338-L341 PolarHBondContact O-N 2.84Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 2.8Å; L341-R344 WeakPolarHBondContact O-CB 3.34Å; L341-R344 PolarHBondContact O-N 2.82Å; L341-D345 PolarHBondContact O-N 3.25Å |
| 342 | L | 64.6 | Low | 58 | Low | 96 Ų | 96 | 99.5 Ų | 99.5 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 175.4 | -70.8 | 172.7 | 0 | 0 | 0 | 112 | L338 D345 A346 | L338-L342 WeakPolarHBondContact O-CB 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.39Å; L338-L342 PolarHBondContact O-N 3.07Å; L342-D345 PolarHBondContact O-N 2.72Å; L342-A346 VanDerWaalsContact O-CB 3.26Å; L342-A346 WeakPolarHBondContact O-CB 3.18Å; L342-A346 PolarHBondContact O-N 3.31Å |
| 343 | L | 62 | Low | 57.4 | Low | 100 Ų | 100 | 101 Ų | 101 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 176 | -159.3 | 79.2 | 0 | 0 | 0 | 110.9 | N339 M340 L341 A346 I347 | N339-L343 WeakPolarHBondContact O-CB 3.42Å; N339-L343 PolarHBondContact O-N 2.98Å; M340-L343 PolarHBondContact O-N 3.23Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 2.8Å; L343-A346 PolarHBondContact O-N 3.2Å; L343-I347 HydrophobicContact CD2-CD1 4.23Å; L343-I347 HydrophobicContact CG-CD1 3.92Å; L343-I347 WeakPolarHBondContact O-CB 3.41Å; L343-I347 WeakPolarHBondContact O-CD1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.29Å; L343-I347 PolarHBondContact O-N 3.02Å |
| 344 | R | 62 | Low | 56.9 | Low | 154 Ų | 154 | 101.7 Ų | 101.7 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -51.4 | 172.1 | -172.5 | -174.5 | -179.9 | -177 | -0.7 | 110.2 | M340 L341 A346 I347 F348 | M340-R344 WeakPolarHBondContact O-CB 3.45Å; M340-R344 PolarHBondContact O-N 2.93Å; L341-R344 WeakPolarHBondContact O-CB 3.34Å; L341-R344 PolarHBondContact O-N 2.82Å; R344-A346 VanDerWaalsContact C-N 3.26Å; R344-A346 PolarHBondContact O-N 2.81Å; R344-I347 PolarHBondContact O-N 3.25Å; R344-I347 VanDerWaalsContact O-N 3.16Å; R344-F348 HydrophobicContact CB-CD2 4.5Å; R344-F348 HydrophobicContact CG-CD2 3.49Å; R344-F348 VanDerWaalsContact CG-CD2 3.49Å; R344-F348 HydrophobicContact CG-CE2 3.84Å; R344-F348 HydrophobicContact CG-CG 4.48Å; R344-F348 VanDerWaalsContact O-CB 3.3Å; R344-F348 WeakPolarHBondContact O-CB 3.43Å; R344-F348 VanDerWaalsContact O-CD2 3.29Å; R344-F348 WeakPolarHBondContact O-CD2 3.42Å; R344-F348 PolarHBondContact O-N 3.05Å |
| 345 | D | 54.5 | Low | 56.5 | Low | 80 Ų | 80 | 105.8 Ų | 105.8 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59 | -39 | 177.8 | -76.4 | 0.9 | 0 | 0 | 0 | 111.6 | R25 L341 L342 Q349 | R25-D345 IonicContact NH1-OD2 2.78Å; L341-D345 PolarHBondContact O-N 3.25Å; L342-D345 PolarHBondContact O-N 2.72Å; D345-Q349 WeakPolarHBondContact O-CG 3.13Å; D345-Q349 PolarHBondContact O-N 3.44Å |
| 346 | A | 54.1 | Low | 55.9 | Low | 66 Ų | 66 | 108.9 Ų | 108.9 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.4 | -32.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L342 L343 R344 | L342-A346 VanDerWaalsContact O-CB 3.26Å; L342-A346 WeakPolarHBondContact O-CB 3.18Å; L342-A346 PolarHBondContact O-N 3.31Å; L343-A346 PolarHBondContact O-N 3.2Å; R344-A346 VanDerWaalsContact C-N 3.26Å; R344-A346 PolarHBondContact O-N 2.81Å |
| 347 | I | 52.7 | Low | 55.5 | Low | 122 Ų | 122 | 108.5 Ų | 108.5 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -81.4 | -34.6 | 177.4 | -66.6 | 165.1 | 0 | 0 | 0 | 111.2 | L343 R344 | L343-I347 HydrophobicContact CD2-CD1 4.23Å; L343-I347 HydrophobicContact CG-CD1 3.92Å; L343-I347 WeakPolarHBondContact O-CB 3.41Å; L343-I347 WeakPolarHBondContact O-CD1 3.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.29Å; L343-I347 PolarHBondContact O-N 3.02Å; R344-I347 PolarHBondContact O-N 3.25Å; R344-I347 VanDerWaalsContact O-N 3.16Å |
| 348 | F | 43.4 | Very low | 55 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -94.4 | 10.8 | -178.5 | -77.1 | -85.5 | 0 | 0 | 0 | 113.3 | R344 P350 | R344-F348 HydrophobicContact CB-CD2 4.5Å; R344-F348 HydrophobicContact CG-CD2 3.49Å; R344-F348 VanDerWaalsContact CG-CD2 3.49Å; R344-F348 HydrophobicContact CG-CE2 3.84Å; R344-F348 HydrophobicContact CG-CG 4.48Å; R344-F348 VanDerWaalsContact O-CB 3.3Å; R344-F348 WeakPolarHBondContact O-CB 3.43Å; R344-F348 VanDerWaalsContact O-CD2 3.29Å; R344-F348 WeakPolarHBondContact O-CD2 3.42Å; R344-F348 PolarHBondContact O-N 3.05Å; F348-P350 WeakPolarHBondContact O-CD 3.41Å; F348-P350 VanDerWaalsContact O-N 3.08Å |
| 349 | Q | 42.5 | Very low | 54.4 | Low | 153 Ų | 153 | 114.2 Ų | 114.2 | 72% | 0.715 | 56% | 0.56 | S | S | * | * | trans | -61.5 | 114.3 | 165.5 | -95.3 | -176.9 | 24.2 | 0 | 0 | 107.7 | D345 S351 | D345-Q349 WeakPolarHBondContact O-CG 3.13Å; D345-Q349 PolarHBondContact O-N 3.44Å; Q349-S351 PolarHBondContact O-N 3.31Å | ||
| 350 | P | 41.6 | Very low | 53.9 | Low | 62 Ų | 62 | 114.1 Ų | 114.1 | 40% | 0.403 | 57% | 0.566 | S | S | . | * | trans | -59.4 | 133.2 | 173.8 | 24.6 | -30.5 | 0 | 0 | 0 | 107.2 | F348 D354 K355 | F348-P350 WeakPolarHBondContact O-CD 3.41Å; F348-P350 VanDerWaalsContact O-N 3.08Å; P350-D354 HydrophobicContact CB-CB 4.01Å; P350-K355 HydrophobicContact CB-CG 4.17Å; P350-K355 HydrophobicContact CG-CG 3.96Å | ||
| 351 | S | 47.4 | Very low | 52.9 | Low | 44 Ų | 44 | 113.4 Ų | 113.4 | 31% | 0.308 | 57% | 0.57 | S | S | . | * | trans | -48.8 | 145 | 166.2 | 174.5 | 0 | 0 | 0 | 0 | 108 | Q349 E353 D354 K355 | Q349-S351 PolarHBondContact O-N 3.31Å; S351-E353 PolarHBondContact O-N 2.97Å; S351-E353 WeakPolarHBondContact OG-CB 3.47Å; S351-E353 PolarHBondContact OG-N 3.32Å; S351-E353 PolarHBondContact OG-OE2 3.1Å; S351-D354 WeakPolarHBondContact O-CA 3.5Å; S351-D354 WeakPolarHBondContact O-CB 3.47Å; S351-D354 PolarHBondContact O-N 3.27Å; S351-K355 PolarHBondContact O-N 3.08Å | ||
| 352 | E | 55.5 | Low | 52.4 | Low | 143 Ų | 143 | 114.3 Ų | 114.3 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -51.4 | -28.4 | 170.8 | -73.8 | -76.4 | 121.6 | 0 | 0 | 110.9 | K355 | E352-K355 PolarHBondContact O-N 3.16Å; E352-K355 IonicContact OE1-NZ 3.26Å; E352-K355 PolarHBondContact OE1-NZ 3.09Å |
| 353 | E | 51.1 | Low | 51.7 | Low | 155 Ų | 155 | 115 Ų | 115 | 72% | 0.724 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.1 | -25.5 | 175.5 | -57.8 | 155.6 | 164.6 | 0 | 0 | 113.6 | S351 | S351-E353 PolarHBondContact O-N 2.97Å; S351-E353 WeakPolarHBondContact OG-CB 3.47Å; S351-E353 PolarHBondContact OG-N 3.32Å; S351-E353 PolarHBondContact OG-OE2 3.1Å |
| 354 | D | 53.6 | Low | 51.2 | Low | 75 Ų | 75 | 116.2 Ų | 116.2 | 40% | 0.401 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -81.7 | -33 | 174.7 | -71.1 | -42 | 0 | 0 | 0 | 111.2 | P350 S351 E356 K357 F358 | P350-D354 HydrophobicContact CB-CB 4.01Å; S351-D354 WeakPolarHBondContact O-CA 3.5Å; S351-D354 WeakPolarHBondContact O-CB 3.47Å; S351-D354 PolarHBondContact O-N 3.27Å; D354-E356 PolarHBondContact O-N 3.1Å; D354-K357 WeakPolarHBondContact O-CB 3.12Å; D354-K357 PolarHBondContact O-N 3.14Å; D354-K357 VanDerWaalsContact O-N 3.16Å; D354-F358 HydrophobicContact CB-CD2 4.46Å; D354-F358 HydrophobicContact CB-CE2 4.4Å; D354-F358 WeakPolarHBondContact O-CD2 3.47Å; D354-F358 PolarHBondContact O-N 3.09Å; D354-F358 VanDerWaalsContact O-N 3.08Å |
| 355 | K | 53.8 | Low | 50.7 | Low | 95 Ų | 95 | 117.6 Ų | 117.6 | 41% | 0.413 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.6 | -42.9 | 178.7 | -68.4 | -179 | -174.3 | 168.3 | 0 | 112.2 | P350 S351 E352 K357 F358 E359 | P350-K355 HydrophobicContact CB-CG 4.17Å; P350-K355 HydrophobicContact CG-CG 3.96Å; S351-K355 PolarHBondContact O-N 3.08Å; E352-K355 PolarHBondContact O-N 3.16Å; E352-K355 IonicContact OE1-NZ 3.26Å; E352-K355 PolarHBondContact OE1-NZ 3.09Å; K355-K357 PolarHBondContact O-N 3.46Å; K355-F358 PolarHBondContact O-N 3.08Å; K355-E359 PolarHBondContact O-N 3.02Å; K355-E359 VanDerWaalsContact O-N 3.08Å |
| 356 | E | 55.9 | Low | 50.4 | Low | 154 Ų | 154 | 121.3 Ų | 121.3 | 72% | 0.72 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.7 | -30.6 | 177.7 | -135.1 | 177.9 | -169.4 | 0 | 0 | 111.9 | D354 S360 | D354-E356 PolarHBondContact O-N 3.1Å; E356-S360 PolarHBondContact O-N 3.41Å |
| 357 | K | 54.6 | Low | 50.1 | Low | 147 Ų | 147 | 124.1 Ų | 124.1 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.9 | -32.5 | 178.8 | -144.7 | 173.7 | -170.5 | 175.3 | 0 | 112.7 | D354 K355 S360 | D354-K357 WeakPolarHBondContact O-CB 3.12Å; D354-K357 PolarHBondContact O-N 3.14Å; D354-K357 VanDerWaalsContact O-N 3.16Å; K355-K357 PolarHBondContact O-N 3.46Å; K357-S360 PolarHBondContact O-OG 3.49Å |
| 358 | F | 51.5 | Low | 50 | Low | 153 Ų | 153 | 126.8 Ų | 126.8 | 67% | 0.671 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -80 | -30.2 | 176.6 | -77.5 | -72.4 | 0 | 0 | 0 | 113.4 | D354 K355 S360 C361 | D354-F358 HydrophobicContact CB-CD2 4.46Å; D354-F358 HydrophobicContact CB-CE2 4.4Å; D354-F358 WeakPolarHBondContact O-CD2 3.47Å; D354-F358 PolarHBondContact O-N 3.09Å; D354-F358 VanDerWaalsContact O-N 3.08Å; K355-F358 PolarHBondContact O-N 3.08Å; F358-S360 VanDerWaalsContact C-N 3.29Å; F358-C361 PolarHBondContact O-N 3.46Å |
| 359 | E | 52.8 | Low | 50.1 | Low | 172 Ų | 172 | 131.1 Ų | 131.1 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73 | -21 | 173 | -78.5 | -177.5 | 162.4 | 0 | 0 | 113.3 | K355 C361 | K355-E359 PolarHBondContact O-N 3.02Å; K355-E359 VanDerWaalsContact O-N 3.08Å; E359-C361 VanDerWaalsContact C-N 3.3Å; E359-C361 PolarHBondContact O-N 2.85Å |
| 360 | S | 52.7 | Low | 50.4 | Low | 86 Ų | 86 | 133.8 Ų | 133.8 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -4.5 | 175.6 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | E356 K357 F358 P362 | E356-S360 PolarHBondContact O-N 3.41Å; K357-S360 PolarHBondContact O-OG 3.49Å; F358-S360 VanDerWaalsContact C-N 3.29Å; S360-P362 WeakPolarHBondContact O-CD 3.48Å |
| 361 | C | 42.9 | Very low | 50.9 | Low | 83 Ų | 83 | 136 Ų | 136 | 56% | 0.561 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -83.8 | 119.7 | 175.7 | -74.2 | 0 | 0 | 0 | 0 | 110.3 | F358 E359 | F358-C361 PolarHBondContact O-N 3.46Å; E359-C361 VanDerWaalsContact C-N 3.3Å; E359-C361 PolarHBondContact O-N 2.85Å |
| 362 | P | 51 | Low | 51.5 | Low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143.2 | 172.9 | 25.2 | -31.8 | 0 | 0 | 0 | 109.4 | S360 | S360-P362 WeakPolarHBondContact O-CD 3.48Š|
| 363 | P | 50 | Low | 51.7 | Low | 110 Ų | 110 | 144.7 Ų | 144.7 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 144.3 | 172.6 | 23 | -31.9 | 0 | 0 | 0 | 109.3 | Q365 | P363-Q365 PolarHBondContact O-N 3.05Š|
| 364 | P | 52.1 | Low | 51.8 | Low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 121.8 | 178.3 | 22 | -30.8 | 0 | 0 | 0 | 108.2 | D366 | P364-D366 PolarHBondContact O-N 3.15Å; P364-D366 VanDerWaalsContact O-N 3.15Å |
| 365 | Q | 51.4 | Low | 51.7 | Low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 125.8 | 178.9 | -76.3 | -176.9 | -6.5 | 0 | 0 | 108.4 | P363 V367 | P363-Q365 PolarHBondContact O-N 3.05Å; Q365-V367 PolarHBondContact O-N 2.92Å |
| 366 | D | 47.8 | Very low | 51.6 | Low | 158 Ų | 158 | 150.7 Ų | 150.7 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -43.2 | 108.2 | 176.1 | -139.9 | -13.2 | 0 | 0 | 0 | 108.4 | P364 K368 | P364-D366 PolarHBondContact O-N 3.15Å; P364-D366 VanDerWaalsContact O-N 3.15Å; D366-K368 VanDerWaalsContact C-N 3.3Å; D366-K368 PolarHBondContact O-N 2.84Å | ||
| 367 | V | 48.9 | Very low | 51.3 | Low | 125 Ų | 125 | 150.5 Ų | 150.5 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | -63.6 | 100.9 | 178.4 | 178.7 | 0 | 0 | 0 | 0 | 104.8 | Q365 R369 | Q365-V367 PolarHBondContact O-N 2.92Å; V367-R369 PolarHBondContact O-N 2.82Å | ||
| 368 | K | 50.6 | Low | 51.1 | Low | 179 Ų | 179 | 150.8 Ų | 150.8 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | trans | -45.3 | 109.3 | 170.2 | -80.7 | -177.7 | 177 | 179 | 0 | 106.7 | D366 Y370 | D366-K368 VanDerWaalsContact C-N 3.3Å; D366-K368 PolarHBondContact O-N 2.84Å; K368-Y370 PolarHBondContact O-N 2.88Å | ||
| 369 | R | 44.4 | Very low | 51.1 | Low | 239 Ų | 239 | 150.6 Ų | 150.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -55.3 | 103.9 | 170.5 | -71.2 | -172 | -179.4 | -165.2 | 1.1 | 106.6 | V367 | V367-R369 PolarHBondContact O-N 2.82Š| ||
| 370 | Y | 49 | Very low | 51 | Low | 210 Ų | 210 | 149.1 Ų | 149.1 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.1 | 161 | -79.8 | -90 | 0 | 0 | 0 | 106.8 | K368 | K368-Y370 PolarHBondContact O-N 2.88Š|
| 371 | P | 53.1 | Low | 50.8 | Low | 107 Ų | 107 | 153.9 Ų | 153.9 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 149.6 | 170.9 | 27.2 | -31.4 | 0 | 0 | 0 | 109.1 | I373 | P371-I373 PolarHBondContact O-N 3.46Š|
| 372 | P | 58.8 | Low | 51.5 | Low | 130 Ų | 130 | 159.8 Ų | 159.8 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.2 | 176.8 | 28.5 | -31.6 | 0 | 0 | 0 | 109.3 | ||
| 373 | I | 60.7 | Low | 51.5 | Low | 240 Ų | 240 | 164.3 Ų | 164.3 | 100% | 1.231 | 84% | 0.842 | S | S | * | * | trans | -70.6 | 0 | 167 | -63.7 | 173.6 | 0 | 0 | 0 | 108.9 | P371 | P371-I373 PolarHBondContact O-N 3.46Š|
Retrieved 373 of 373 residues in 39.7 ms
(Link to these results)