| 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 | 33.4 | Very low | 50.1 | Low | 237 Ų | 237 | 82.5 Ų | 82.5 | 100% | 1.167 | 45% | 0.454 | S | S | * | . | 0 | 131.9 | 0 | -63.8 | 176.4 | -176.6 | 0 | 0 | 107.7 | I3 | M1-I3 PolarHBondContact O-N 2.84Š| |||
| 2 | A | 37.3 | Very low | 50.5 | Low | 105 Ų | 105 | 82.4 Ų | 82.4 | 87% | 0.868 | 46% | 0.458 | S | S | * | . | trans | -68.4 | 115.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | N4 | A2-N4 PolarHBondContact O-N 3.15Š| ||
| 3 | I | 42.7 | Very low | 50.2 | Low | 106 Ų | 106 | 91.1 Ų | 91.1 | 54% | 0.544 | 48% | 0.479 | S | S | . | . | trans | -70.2 | 125.8 | 176.4 | -61.4 | 176.2 | 0 | 0 | 0 | 106.8 | M1 T5 Q10 | M1-I3 PolarHBondContact O-N 2.84Å; I3-T5 WeakPolarHBondContact O-CG2 3.48Å; I3-T5 PolarHBondContact O-N 2.99Å; I3-Q10 VanDerWaalsContact CG2-OE1 3.25Å | ||
| 4 | N | 43.2 | Very low | 49.4 | Very low | 88 Ų | 88 | 97.3 Ų | 97.3 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | trans | -82.7 | 86.9 | -175.7 | 175.3 | 5.6 | 0 | 0 | 0 | 109.6 | A2 N6 Q10 | A2-N4 PolarHBondContact O-N 3.15Å; N4-N6 PolarHBondContact O-N 2.85Å; N4-N6 WeakPolarHBondContact OD1-CB 3.33Å; N4-N6 PolarHBondContact OD1-N 3.36Å; N4-N6 PolarHBondContact OD1-ND2 3.06Å; N4-Q10 PolarHBondContact O-NE2 2.67Å; N4-Q10 PolarHBondContact O-OE1 2.83Å | ||
| 5 | T | 51.3 | Low | 48.9 | Very low | 18 Ų | 18 | 98.2 Ų | 98.2 | 11% | 0.11 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -8.1 | -172.5 | 62 | 0 | 0 | 0 | 0 | 115.9 | I3 T7 L118 E121 R124 | I3-T5 WeakPolarHBondContact O-CG2 3.48Å; I3-T5 PolarHBondContact O-N 2.99Å; T5-T7 PolarHBondContact O-N 3.06Å; T5-T7 VanDerWaalsContact O-N 3.14Å; T5-L118 WeakPolarHBondContact OG1-CD2 3.34Å; T5-E121 WeakPolarHBondContact CG2-OE1 3.3Å; T5-R124 PolarHBondContact O-NH1 3.43Å; T5-R124 PolarHBondContact O-NH2 2.9Å |
| 6 | N | 52 | Low | 48.5 | Very low | 69 Ų | 69 | 98 Ų | 98 | 37% | 0.369 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -6.3 | -175.6 | -71.1 | -72.5 | 0 | 0 | 0 | 115.5 | N4 Q104 | N4-N6 PolarHBondContact O-N 2.85Å; N4-N6 WeakPolarHBondContact OD1-CB 3.33Å; N4-N6 PolarHBondContact OD1-N 3.36Å; N4-N6 PolarHBondContact OD1-ND2 3.06Å; N6-Q104 PolarHBondContact O-NE2 3.04Å |
| 7 | T | 60.7 | Low | 47.9 | Very low | 49 Ų | 49 | 103.2 Ų | 103.2 | 30% | 0.301 | 55% | 0.552 | S | S | . | * | trans | -138.8 | 123.5 | 176.5 | -17.3 | 0 | 0 | 0 | 0 | 112.2 | T5 V9 Q10 G103 | T5-T7 PolarHBondContact O-N 3.06Å; T5-T7 VanDerWaalsContact O-N 3.14Å; T7-V9 HydrophobicContact CG2-CB 4.31Å; T7-V9 HydrophobicContact CG2-CG2 3.85Å; T7-V9 PolarHBondContact O-N 3.17Å; T7-Q10 PolarHBondContact O-N 3.32Å; T7-Q10 VanDerWaalsContact O-N 3.14Å; T7-G103 WeakPolarHBondContact CA-O 3.46Å | ||
| 8 | A | 60.9 | Low | 47.4 | Very low | 2 Ų | 2 | 105.7 Ų | 105.7 | 2% | 0.017 | 56% | 0.563 | C | S | . | * | G | 310 helix | trans | -53.1 | -24 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q10 Y11 G103 I128 F139 | A8-Q10 PolarHBondContact O-N 3.43Å; A8-Q10 VanDerWaalsContact O-N 3.12Å; A8-Y11 PolarHBondContact O-N 3.41Å; A8-Y11 VanDerWaalsContact O-N 3.09Å; A8-G103 PolarHBondContact N-O 2.82Å; A8-G103 VanDerWaalsContact N-O 3.12Å; A8-I128 HydrophobicContact CB-CD1 4.02Å; A8-I128 HydrophobicContact CB-CG1 4.25Å; A8-I128 HydrophobicContact CB-CG2 4.14Å; A8-F139 HydrophobicContact CB-CB 4.43Å; A8-F139 HydrophobicContact CB-CD1 4.03Å; A8-F139 HydrophobicContact CB-CD2 4.03Å; A8-F139 HydrophobicContact CB-CE1 4.27Å; A8-F139 HydrophobicContact CB-CE2 4.27Å; A8-F139 HydrophobicContact CB-CG 3.9Å; A8-F139 HydrophobicContact CB-CZ 4.38Å |
| 9 | V | 58.1 | Low | 46.7 | Very low | 83 Ų | 83 | 105.7 Ų | 105.7 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -50.9 | -31.7 | 175.1 | -178.2 | 0 | 0 | 0 | 0 | 113.5 | T7 Y11 V12 | T7-V9 HydrophobicContact CG2-CB 4.31Å; T7-V9 HydrophobicContact CG2-CG2 3.85Å; T7-V9 PolarHBondContact O-N 3.17Å; V9-Y11 VanDerWaalsContact C-N 3.3Å; V9-Y11 PolarHBondContact O-N 2.74Å; V9-V12 WeakPolarHBondContact O-CB 3.41Å; V9-V12 PolarHBondContact O-N 2.71Å |
| 10 | Q | 54.8 | Low | 46.3 | Very low | 76 Ų | 76 | 106.7 Ų | 106.7 | 36% | 0.355 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -70.7 | -24.1 | -178.8 | -71 | -179.5 | 30.4 | 0 | 0 | 113.7 | I3 N4 T7 A8 V12 | I3-Q10 VanDerWaalsContact CG2-OE1 3.25Å; N4-Q10 PolarHBondContact O-NE2 2.67Å; N4-Q10 PolarHBondContact O-OE1 2.83Å; T7-Q10 PolarHBondContact O-N 3.32Å; T7-Q10 VanDerWaalsContact O-N 3.14Å; A8-Q10 PolarHBondContact O-N 3.43Å; A8-Q10 VanDerWaalsContact O-N 3.12Å; Q10-V12 PolarHBondContact O-N 3.31Å |
| 11 | Y | 56.4 | Low | 45.9 | Very low | 74 Ų | 74 | 110.2 Ų | 110.2 | 29% | 0.29 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -72.2 | -14.7 | 177.8 | -67.7 | -95.5 | 0 | 0 | 0 | 113 | A8 V9 R13 I128 | A8-Y11 PolarHBondContact O-N 3.41Å; A8-Y11 VanDerWaalsContact O-N 3.09Å; V9-Y11 VanDerWaalsContact C-N 3.3Å; V9-Y11 PolarHBondContact O-N 2.74Å; Y11-R13 VanDerWaalsContact C-N 3.32Å; Y11-R13 PolarHBondContact O-N 3.11Å; Y11-I128 HydrophobicContact CD1-CG2 4.5Å; Y11-I128 HydrophobicContact CD2-CD1 3.91Å; Y11-I128 HydrophobicContact CD2-CG2 3.95Å; Y11-I128 HydrophobicContact CE2-CD1 3.72Å; Y11-I128 HydrophobicContact CG-CG2 3.81Å |
| 12 | V | 55 | Low | 46 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -76.4 | -16.2 | -179.1 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | V9 Q10 L132 | V9-V12 WeakPolarHBondContact O-CB 3.41Å; V9-V12 PolarHBondContact O-N 2.71Å; Q10-V12 PolarHBondContact O-N 3.31Å; V12-L132 HydrophobicContact CG2-CD1 3.73Å; V12-L132 HydrophobicContact CG2-CD2 3.98Å |
| 13 | R | 47 | Very low | 46.2 | Very low | 195 Ų | 195 | 102 Ų | 102 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -107.3 | 6 | -165.8 | -76.8 | -170.9 | 174.2 | 175 | -2.3 | 117.1 | Y11 P15 | Y11-R13 VanDerWaalsContact C-N 3.32Å; Y11-R13 PolarHBondContact O-N 3.11Å; R13-P15 VanDerWaalsContact O-CD 3.29Å; R13-P15 WeakPolarHBondContact O-CD 3.27Å |
| 14 | K | 39.2 | Very low | 46.4 | Very low | 178 Ų | 178 | 102.3 Ų | 102.3 | 77% | 0.774 | 59% | 0.594 | S | S | * | * | trans | -103.3 | 99.8 | 172.4 | -100.9 | -172.3 | 171.2 | -172.7 | 0 | 111.2 | ||||
| 15 | P | 41.4 | Very low | 46.3 | Very low | 111 Ų | 111 | 101.7 Ų | 101.7 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | trans | -60.4 | 146 | 154.6 | 28.9 | -33.3 | 0 | 0 | 0 | 108.5 | R13 E17 | R13-P15 VanDerWaalsContact O-CD 3.29Å; R13-P15 WeakPolarHBondContact O-CD 3.27Å; P15-E17 PolarHBondContact O-N 3.33Å | ||
| 16 | A | 42.6 | Very low | 45.7 | Very low | 95 Ų | 95 | 107.9 Ų | 107.9 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | trans | -73.3 | 116.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109 | I18 | A16-I18 VanDerWaalsContact C-N 3.33Å; A16-I18 PolarHBondContact O-N 2.93Å | ||
| 17 | E | 38.4 | Very low | 45.3 | Very low | 186 Ų | 186 | 113.1 Ų | 113.1 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | trans | -67.8 | 94.1 | 167.2 | -71.8 | -179.1 | 156.5 | 0 | 0 | 108.5 | P15 S19 | P15-E17 PolarHBondContact O-N 3.33Å; E17-S19 PolarHBondContact O-N 2.9Å | ||
| 18 | I | 38 | Very low | 44.5 | Very low | 149 Ų | 149 | 117.3 Ų | 117.3 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -82.1 | 91.5 | 171.9 | -155.8 | 165 | 0 | 0 | 0 | 107.8 | A16 V20 | A16-I18 VanDerWaalsContact C-N 3.33Å; A16-I18 PolarHBondContact O-N 2.93Å; I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 PolarHBondContact O-N 3.34Å | ||
| 19 | S | 35.5 | Very low | 43.5 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | -70.4 | 87.2 | 178.7 | -65 | 0 | 0 | 0 | 0 | 110.9 | E17 L21 | E17-S19 PolarHBondContact O-N 2.9Å; S19-L21 PolarHBondContact O-N 3.22Å | ||
| 20 | V | 38.8 | Very low | 42.7 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -76.4 | 108.6 | 166.6 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | I18 G22 | I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 PolarHBondContact O-N 3.34Å; V20-G22 PolarHBondContact O-N 3.36Å | ||
| 21 | L | 36.8 | Very low | 42.3 | Very low | 181 Ų | 181 | 124.8 Ų | 124.8 | 95% | 0.948 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 95 | 173.3 | -82.3 | 151.8 | 0 | 0 | 0 | 110.2 | S19 | S19-L21 PolarHBondContact O-N 3.22Š| ||
| 22 | G | 35.6 | Very low | 41.6 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -113.3 | 139.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V20 | V20-G22 PolarHBondContact O-N 3.36Š| ||
| 23 | A | 42.7 | Very low | 40.8 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 148.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 24 | A | 45.9 | Very low | 40.4 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 72.2 | 129.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 25 | G | 41.1 | Very low | 40.2 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 104 | 68.2 | 162 | 0 | 0 | 0 | 0 | 0 | 116.6 | F27 | G25-F27 PolarHBondContact O-N 3.19Å; G25-F27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | T | 39.8 | Very low | 40 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -72.7 | 104.4 | 170.6 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 27 | F | 42.6 | Very low | 39.8 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -114.1 | 117.9 | 158 | 150.7 | -105 | 0 | 0 | 0 | 108 | G25 A29 | G25-F27 PolarHBondContact O-N 3.19Å; G25-F27 VanDerWaalsContact O-N 3.16Å; F27-A29 HydrophobicContact CE1-CB 3.95Å; F27-A29 HydrophobicContact CE2-CB 4.1Å; F27-A29 HydrophobicContact CZ-CB 3.56Å | ||
| 28 | V | 43.7 | Very low | 40.1 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -104.4 | 97.2 | 174.8 | -90.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 29 | A | 39.4 | Very low | 39.9 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 56% | 0.562 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F27 P31 | F27-A29 HydrophobicContact CE1-CB 3.95Å; F27-A29 HydrophobicContact CE2-CB 4.1Å; F27-A29 HydrophobicContact CZ-CB 3.56Å; A29-P31 WeakPolarHBondContact O-CD 3.48Å |
| 30 | T | 42.6 | Very low | 40.1 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 120.8 | 172.7 | -13.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 31 | P | 45.8 | Very low | 39.9 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -73 | 131.1 | 165.1 | 29.9 | -31.6 | 0 | 0 | 0 | 109.2 | A29 N33 | A29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-N33 PolarHBondContact O-N 3.05Å |
| 32 | M | 41.4 | Very low | 40.1 | Very low | 179 Ų | 179 | 125 Ų | 125 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 119.3 | -178.3 | -61.8 | 177.4 | 81.5 | 0 | 0 | 110.7 | Q34 | M32-Q34 PolarHBondContact O-N 2.91Š|
| 33 | N | 38.3 | Very low | 40.1 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -73.3 | 92.5 | 179.4 | -178.4 | 38.3 | 0 | 0 | 0 | 111.1 | P31 T35 | P31-N33 PolarHBondContact O-N 3.05Å; N33-T35 PolarHBondContact O-N 3.19Å | ||
| 34 | Q | 39.5 | Very low | 40.1 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -78.4 | 101.2 | 165.8 | -69.3 | -166.4 | 18.1 | 0 | 0 | 109.9 | M32 F36 | M32-Q34 PolarHBondContact O-N 2.91Å; Q34-F36 PolarHBondContact O-N 3.48Å | ||
| 35 | T | 34.4 | Very low | 39.5 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -62.8 | 92.4 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | N33 T37 | N33-T35 PolarHBondContact O-N 3.19Å; T35-T37 HydrophobicContact CG2-CG2 4.45Å; T35-T37 PolarHBondContact O-N 3.22Å | ||
| 36 | F | 37.6 | Very low | 39.5 | Very low | 171 Ų | 171 | 137 Ų | 137 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | trans | -78.6 | 99.3 | 171.2 | -126.4 | -86.9 | 0 | 0 | 0 | 109.9 | Q34 | Q34-F36 PolarHBondContact O-N 3.48Š| ||
| 37 | T | 37.5 | Very low | 39.2 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 51% | 0.509 | 74% | 0.741 | S | S | . | * | trans | -66.4 | 132.9 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | T35 F39 | T35-T37 HydrophobicContact CG2-CG2 4.45Å; T35-T37 PolarHBondContact O-N 3.22Å; T37-F39 PolarHBondContact O-N 3.04Å | ||
| 38 | P | 46 | Very low | 38.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -75 | 94.6 | 168.3 | 30.3 | -31.1 | 0 | 0 | 0 | 108.3 | V40 | P38-V40 VanDerWaalsContact C-N 3.34Å; P38-V40 PolarHBondContact O-N 3.44Å | ||
| 39 | F | 32.9 | Very low | 38.5 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | trans | -68.3 | 88.6 | 178 | -117.7 | -72.1 | 0 | 0 | 0 | 111.2 | T37 N41 | T37-F39 PolarHBondContact O-N 3.04Å; F39-N41 VanDerWaalsContact C-N 3.35Å; F39-N41 HydrophobicContact CD1-CB 4.11Å; F39-N41 VanDerWaalsContact CD1-CG 3.47Å; F39-N41 WeakPolarHBondContact CD1-OD1 3.48Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.4Å; F39-N41 WeakPolarHBondContact CE1-OD1 3.25Å; F39-N41 PolarHBondContact O-N 3.45Å | ||
| 40 | V | 39 | Very low | 38.8 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -78.6 | 85.7 | 159.5 | -89.6 | 0 | 0 | 0 | 0 | 108.7 | P38 | P38-V40 VanDerWaalsContact C-N 3.34Å; P38-V40 PolarHBondContact O-N 3.44Å | ||
| 41 | N | 36.2 | Very low | 38.7 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | trans | -100.4 | 117.5 | 172.2 | -106.1 | 7.3 | 0 | 0 | 0 | 110.9 | F39 I43 | F39-N41 VanDerWaalsContact C-N 3.35Å; F39-N41 HydrophobicContact CD1-CB 4.11Å; F39-N41 VanDerWaalsContact CD1-CG 3.47Å; F39-N41 WeakPolarHBondContact CD1-OD1 3.48Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.4Å; F39-N41 WeakPolarHBondContact CE1-OD1 3.25Å; F39-N41 PolarHBondContact O-N 3.45Å; N41-I43 HydrophobicContact CB-CG1 4.35Å | ||
| 42 | P | 40.5 | Very low | 38.6 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -81.5 | 116.7 | 160.6 | 32.1 | -27.6 | 0 | 0 | 0 | 108.7 | ||||
| 43 | I | 34.8 | Very low | 38.6 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | trans | -117.5 | 93.5 | 172.2 | -57.9 | -179.2 | 0 | 0 | 0 | 108.8 | N41 N45 | N41-I43 HydrophobicContact CB-CG1 4.35Å; I43-N45 HydrophobicContact CG2-CB 3.91Å | ||
| 44 | M | 42.6 | Very low | 39 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 91% | 0.906 | 74% | 0.741 | S | S | * | * | trans | -99.7 | 94.9 | 149.7 | -84 | -75.7 | -179.6 | 0 | 0 | 105.8 | L46 | M44-L46 PolarHBondContact O-N 2.87Š| ||
| 45 | N | 34.4 | Very low | 39.1 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -85.5 | 105.1 | 178.7 | -161 | 38.3 | 0 | 0 | 0 | 108.5 | I43 | I43-N45 HydrophobicContact CG2-CB 3.91Š| ||
| 46 | L | 39.8 | Very low | 39.4 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -116.1 | 131.8 | 167.8 | -75.3 | 174.7 | 0 | 0 | 0 | 109.2 | M44 P48 | M44-L46 PolarHBondContact O-N 2.87Å; L46-P48 WeakPolarHBondContact O-CD 3.44Å | ||
| 47 | N | 35.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | -58 | 120.5 | -170 | -179.7 | 13.4 | 0 | 0 | 0 | 113.3 | S49 | N47-S49 PolarHBondContact O-N 2.73Š| ||
| 48 | P | 34.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -90.2 | 81.7 | 171.1 | 35.3 | -30.1 | 0 | 0 | 0 | 110.4 | L46 | L46-P48 WeakPolarHBondContact O-CD 3.44Š| ||
| 49 | S | 37.6 | Very low | 39.7 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | trans | -157.7 | 142.4 | 168 | -76.4 | 0 | 0 | 0 | 0 | 107.7 | N47 | N47-S49 PolarHBondContact O-N 2.73Š| ||
| 50 | L | 44.2 | Very low | 40 | Very low | 169 Ų | 169 | 125.9 Ų | 125.9 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | 72.9 | 119.5 | -158.1 | -45.3 | 173.9 | 0 | 0 | 0 | 110.2 | ||||
| 51 | I | 41.8 | Very low | 40 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | cis | -142 | 149.2 | 18.4 | -86.6 | 128.1 | 0 | 0 | 0 | 111 | ||||
| 52 | S | 42 | Very low | 40 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -84.2 | 148.5 | 178 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 53 | S | 41.7 | Very low | 40 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 54.9 | 106.7 | 139.5 | -55.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 54 | I | 47.2 | Very low | 40.5 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -138.5 | 124.6 | 131 | -55.3 | -177.3 | 0 | 0 | 0 | 108.5 | ||||
| 55 | P | 41 | Very low | 40.1 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -109.1 | 154.2 | -179.9 | 38.2 | -31.7 | 0 | 0 | 0 | 114.9 | ||||
| 56 | G | 40.7 | Very low | 40.5 | Very low | 85 Ų | 85 | 121.8 Ų | 121.8 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 133.3 | 135.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 57 | G | 37.9 | Very low | 40.5 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | -157 | 176.6 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 58 | P | 46.4 | Very low | 40.6 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -108.6 | 165.1 | -154.8 | 38.3 | -32.7 | 0 | 0 | 0 | 116 | ||||
| 59 | T | 43.3 | Very low | 40.7 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | 151.8 | 144.5 | 127.5 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 60 | G | 38.7 | Very low | 40.9 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 126.9 | 86.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 61 | G | 38.9 | Very low | 40.9 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 84.8 | 119.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 62 | P | 38.2 | Very low | 40.8 | Very low | 140 Ų | 140 | 114.1 Ų | 114.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -94 | 146.1 | 168.5 | 36.1 | -31 | 0 | 0 | 0 | 112.5 | ||||
| 63 | G | 40.4 | Very low | 40.6 | Very low | 64 Ų | 64 | 111.8 Ų | 111.8 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | 133.8 | 93.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 64 | Q | 43.6 | Very low | 40.9 | Very low | 202 Ų | 202 | 112 Ų | 112 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | -172.7 | 132.4 | 121.2 | -101.2 | 155.4 | 103.4 | 0 | 0 | 111 | |||||
| 65 | V | 35.3 | Very low | 40.8 | Very low | 143 Ų | 143 | 110 Ų | 110 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -88.8 | 123.7 | 174.9 | -75.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 66 | S | 43.5 | Very low | 40.7 | Very low | 106 Ų | 106 | 108 Ų | 108 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -161.9 | 106.4 | 165 | -82.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 67 | S | 38.2 | Very low | 40.5 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 35 | 90.3 | 146.7 | 59.4 | 0 | 0 | 0 | 0 | 119.7 | S69 | S67-S69 PolarHBondContact O-N 3.28Š| ||
| 68 | L | 38.3 | Very low | 41 | Very low | 167 Ų | 167 | 111 Ų | 111 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -90.9 | 67 | 160.4 | -81.1 | 133.5 | 0 | 0 | 0 | 111.8 | A70 | L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.26Å | ||
| 69 | S | 36.4 | Very low | 41 | Very low | 124 Ų | 124 | 107.3 Ų | 107.3 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | trans | -83.2 | 75.7 | 166.5 | -73.9 | 0 | 0 | 0 | 0 | 110.4 | S67 | S67-S69 PolarHBondContact O-N 3.28Š| ||
| 70 | A | 40.2 | Very low | 41.3 | Very low | 83 Ų | 83 | 104.8 Ų | 104.8 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | trans | -141.5 | 7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L68 | L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.26Å | ||
| 71 | T | 44.4 | Very low | 42.4 | Very low | 115 Ų | 115 | 105.5 Ų | 105.5 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -90.4 | -0.2 | -176.4 | 46.7 | 0 | 0 | 0 | 0 | 115 | G73 | T71-G73 PolarHBondContact O-N 3.08Š| ||
| 72 | G | 39.8 | Very low | 44.3 | Very low | 56 Ų | 56 | 106.7 Ų | 106.7 | 58% | 0.577 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -22.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 73 | G | 38.3 | Very low | 46.7 | Very low | 54 Ų | 54 | 107.5 Ų | 107.5 | 56% | 0.557 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.8 | -30.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T71 | T71-G73 PolarHBondContact O-N 3.08Å |
| 74 | V | 47.6 | Very low | 49.3 | Very low | 111 Ų | 111 | 107.3 Ų | 107.3 | 67% | 0.673 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.2 | -22.4 | -169.8 | -63.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 75 | L | 46.4 | Very low | 51.9 | Low | 130 Ų | 130 | 98.1 Ų | 98.1 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.4 | -34.3 | 179.1 | -64.6 | 177 | 0 | 0 | 0 | 112.2 | S77 L78 A79 | L75-S77 PolarHBondContact O-N 3.25Å; L75-L78 PolarHBondContact O-N 3.02Å; L75-A79 PolarHBondContact O-N 2.96Å |
| 76 | S | 37.3 | Very low | 54.9 | Low | 82 Ų | 82 | 96.4 Ų | 96.4 | 57% | 0.573 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.4 | -39.8 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | L78 A79 N80 | S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.91Å; S76-A79 PolarHBondContact O-N 2.94Å; S76-N80 PolarHBondContact O-N 2.93Å |
| 77 | S | 38 | Very low | 57.5 | Low | 90 Ų | 90 | 92.2 Ų | 92.2 | 63% | 0.629 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.9 | -27.6 | 177.5 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | L75 N80 | L75-S77 PolarHBondContact O-N 3.25Å; S77-N80 PolarHBondContact O-N 3.2Å |
| 78 | L | 48.6 | Very low | 60.3 | Low | 132 Ų | 132 | 91 Ų | 91 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.8 | -32.1 | 176.2 | -172.1 | 57.6 | 0 | 0 | 0 | 112.1 | L75 S76 N80 S81 | L75-L78 PolarHBondContact O-N 3.02Å; S76-L78 VanDerWaalsContact C-N 3.29Å; S76-L78 PolarHBondContact O-N 2.91Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.31Å; L78-S81 PolarHBondContact O-OG 3.38Å |
| 79 | A | 45.9 | Very low | 63.1 | Low | 39 Ų | 39 | 92 Ų | 92 | 32% | 0.322 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -27.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L75 S76 | L75-A79 PolarHBondContact O-N 2.96Å; S76-A79 PolarHBondContact O-N 2.94Å |
| 80 | N | 48.5 | Very low | 66 | Low | 94 Ų | 94 | 86.6 Ų | 86.6 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6 | -171.4 | -127.1 | 43.9 | 0 | 0 | 0 | 115.4 | S76 S77 L78 R82 | S76-N80 PolarHBondContact O-N 2.93Å; S77-N80 PolarHBondContact O-N 3.2Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.31Å; N80-R82 PolarHBondContact O-N 3.5Å; N80-R82 VanDerWaalsContact O-N 3.08Å |
| 81 | S | 61.6 | Low | 68.8 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | trans | -75.4 | 13.9 | 178.6 | 63.9 | 0 | 0 | 0 | 0 | 114.8 | L78 | L78-S81 PolarHBondContact O-OG 3.38Š| ||
| 82 | R | 79.6 | Confident | 71.3 | Confident | 102 Ų | 102 | 80.6 Ų | 80.6 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -107 | 147.9 | -175.3 | -71.1 | -176.6 | -83.5 | -148.9 | 2.6 | 111.1 | N80 Q104 | N80-R82 PolarHBondContact O-N 3.5Å; N80-R82 VanDerWaalsContact O-N 3.08Å; R82-Q104 VanDerWaalsContact NH1-CG 3.34Å |
| 83 | K | 88.6 | Confident | 74.1 | Confident | 157 Ų | 157 | 79 Ų | 79 | 68% | 0.683 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 134.3 | 175.5 | -66.5 | 178.4 | -179.5 | 174.9 | 0 | 109.7 | ||
| 84 | P | 95.7 | Very high | 76.9 | Confident | 60 Ų | 60 | 81.4 Ų | 81.4 | 39% | 0.39 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 137.5 | 172.4 | 27.8 | -33.8 | 0 | 0 | 0 | 110 | N86 N108 | P84-N86 PolarHBondContact O-ND2 3.31Å; P84-N108 WeakPolarHBondContact CB-O 3.36Å |
| 85 | C | 97.8 | Very high | 79.2 | Confident | 9 Ų | 9 | 80 Ų | 80 | 6% | 0.061 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 148.7 | 176.2 | 75.1 | 0 | 0 | 0 | 0 | 111.5 | C97 C109 N110 C111 | C85-C97 VanDerWaalsContact SG-SG 3.7Å; C85-C109 PolarHBondContact N-SG 2.93Å; C85-N110 CarbonylContact O-C 3.5Å; C85-N110 WeakPolarHBondContact O-CA 3.5Å; C85-N110 PolarHBondContact O-N 3.29Å; C85-C111 PolarHBondContact O-N 2.99Å |
| 86 | N | 97.9 | Very high | 81.6 | Confident | 108 Ų | 108 | 83.4 Ų | 83.4 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | trans | -115.6 | 39.8 | -178 | -54.6 | -86.2 | 0 | 0 | 0 | 110.6 | P84 N110 | P84-N86 PolarHBondContact O-ND2 3.31Å; N86-N110 VanDerWaalsContact OD1-CB 3.26Å; N86-N110 WeakPolarHBondContact OD1-CB 3.45Å; N86-N110 PolarHBondContact OD1-ND2 3.49Å | ||
| 87 | C | 98.4 | Very high | 84.5 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 12% | 0.122 | 41% | 0.408 | C | S | . | . | trans | -74.1 | 132.5 | -171.2 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | S90 C97 C111 N112 | C87-S90 WeakPolarHBondContact CB-OG 3.4Å; C87-C97 VanDerWaalsContact SG-CB 3.56Å; C87-C111 HydrophobicContact CB-CB 3.99Å; C87-C111 CarbonylContact O-C 3.58Å; C87-C111 VanDerWaalsContact O-CA 3.28Å; C87-C111 WeakPolarHBondContact O-CA 3.33Å; C87-N112 PolarHBondContact O-N 3.32Å | ||
| 88 | T | 97.5 | Very high | 87.2 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -115.3 | -40.6 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 89 | K | 97.3 | Very high | 89.5 | Confident | 187 Ų | 187 | 74.6 Ų | 74.6 | 81% | 0.813 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -105.2 | -0.9 | -173.1 | -58.8 | -176.2 | -178.8 | -175.8 | 0 | 115.3 | ||
| 90 | S | 97 | Very high | 91.9 | Very high | 10 Ų | 10 | 72.8 Ų | 72.8 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -102.9 | -10.6 | -173.1 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | C87 C92 L93 | C87-S90 WeakPolarHBondContact CB-OG 3.4Å; S90-C92 PolarHBondContact O-N 2.86Å; S90-C92 PolarHBondContact OG-N 3.23Å; S90-L93 PolarHBondContact O-N 3.18Å |
| 91 | H | 97.9 | Very high | 94.1 | Very high | 73 Ų | 73 | 69.6 Ų | 69.6 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 17.8 | -164.3 | -59.5 | -71.4 | 0 | 0 | 0 | 113.9 | L93 N113 M115 | H91-L93 PolarHBondContact O-N 3.07Å; H91-N113 WeakPolarHBondContact CA-O 3.22Å; H91-N113 WeakPolarHBondContact ND1-CB 3.38Å; H91-N113 PolarHBondContact ND1-O 3.41Å; H91-M115 HydrophobicContact CB-CB 4.37Å; H91-M115 HydrophobicContact CB-CG 4.18Å; H91-M115 HydrophobicContact CB-SD 3.89Å; H91-M115 PolarHBondContact O-N 2.87Å |
| 92 | C | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 17.6 | -167 | -56.2 | 0 | 0 | 0 | 0 | 114.9 | S90 C97 F100 C106 C111 N116 | S90-C92 PolarHBondContact O-N 2.86Å; S90-C92 PolarHBondContact OG-N 3.23Å; C92-C97 HydrophobicContact CB-CB 4.26Å; C92-F100 WeakPolarHBondContact O-CB 3.48Å; C92-F100 VanDerWaalsContact O-CD2 3.23Å; C92-F100 WeakPolarHBondContact O-CD2 3.31Å; C92-F100 VanDerWaalsContact O-CG 3.29Å; C92-F100 WeakPolarHBondContact O-CG 3.33Å; C92-C106 VanDerWaalsContact SG-SG 3.7Å; C92-C111 VanDerWaalsContact SG-CB 3.5Å; C92-C111 VanDerWaalsContact SG-SG 3.7Å; C92-N116 HydrophobicContact CB-CB 3.44Å; C92-N116 VanDerWaalsContact CB-CB 3.44Å; C92-N116 WeakPolarHBondContact O-CB 3.37Å |
| 93 | L | 97.8 | Very high | 96.3 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | trans | -103.6 | 22 | -179.3 | -65.2 | -172.5 | 0 | 0 | 0 | 114 | S90 H91 F100 M115 N116 E123 R124 A127 | S90-L93 PolarHBondContact O-N 3.18Å; H91-L93 PolarHBondContact O-N 3.07Å; L93-F100 HydrophobicContact CD2-CD2 4.45Å; L93-F100 HydrophobicContact CD2-CE2 4.22Å; L93-M115 HydrophobicContact CD1-CB 3.66Å; L93-M115 HydrophobicContact CD1-CG 4.5Å; L93-M115 HydrophobicContact CD1-SD 4.06Å; L93-M115 HydrophobicContact CD2-CB 4.21Å; L93-M115 HydrophobicContact CG-CB 3.86Å; L93-N116 HydrophobicContact CD2-CB 4.39Å; L93-E123 HydrophobicContact CD1-CB 3.8Å; L93-R124 HydrophobicContact CD2-CB 4.02Å; L93-R124 HydrophobicContact CD2-CG 4.22Å; L93-A127 HydrophobicContact CB-CB 3.79Å; L93-A127 HydrophobicContact CD1-CB 4.28Å; L93-A127 HydrophobicContact CD2-CB 4.19Å; L93-A127 HydrophobicContact CG-CB 4.31Å | ||
| 94 | K | 97.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 45% | 0.452 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -139.4 | 150.7 | -180 | -60.1 | 176.6 | -176.4 | 169.9 | 0 | 109.1 | Y96 C97 F100 | K94-Y96 HydrophobicContact CB-CD2 3.74Å; K94-Y96 HydrophobicContact CB-CE2 4.37Å; K94-Y96 HydrophobicContact CD-CD2 4.22Å; K94-Y96 HydrophobicContact CD-CE2 4.32Å; K94-Y96 PolarHBondContact O-N 3.25Å; K94-C97 WeakPolarHBondContact O-CB 3.38Å; K94-C97 PolarHBondContact O-N 3.05Å; K94-F100 VanDerWaalsContact C-CD1 3.49Å |
| 95 | L | 96 | Very high | 96.6 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 42% | 0.419 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -6.4 | -179.6 | -62.2 | 176.6 | 0 | 0 | 0 | 115.1 | C97 F100 A101 T131 A138 F139 | L95-C97 PolarHBondContact O-N 2.74Å; L95-F100 HydrophobicContact CD2-CD1 4.14Å; L95-F100 HydrophobicContact CD2-CE1 4.28Å; L95-A101 HydrophobicContact CD2-CB 4.06Å; L95-T131 HydrophobicContact CD1-CG2 3.85Å; L95-T131 HydrophobicContact CD2-CG2 3.98Å; L95-T131 HydrophobicContact CG-CG2 3.88Å; L95-A138 HydrophobicContact CD1-CB 4.21Å; L95-F139 HydrophobicContact CD2-CD1 4.3Å; L95-F139 HydrophobicContact CD2-CE1 3.8Å; L95-F139 HydrophobicContact CD2-CZ 4.35Å |
| 96 | Y | 95.8 | Very high | 96.6 | Very high | 203 Ų | 203 | 57.9 Ų | 57.9 | 80% | 0.796 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.8 | 166.3 | -55.1 | -69.7 | 0 | 0 | 0 | 113.1 | K94 | K94-Y96 HydrophobicContact CB-CD2 3.74Å; K94-Y96 HydrophobicContact CB-CE2 4.37Å; K94-Y96 HydrophobicContact CD-CD2 4.22Å; K94-Y96 HydrophobicContact CD-CE2 4.32Å; K94-Y96 PolarHBondContact O-N 3.25Å |
| 97 | C | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -88.2 | 120.3 | 171.8 | 176 | 0 | 0 | 0 | 0 | 109.5 | C85 C87 C92 K94 L95 C99 F100 A101 | C85-C97 VanDerWaalsContact SG-SG 3.7Å; C87-C97 VanDerWaalsContact SG-CB 3.56Å; C92-C97 HydrophobicContact CB-CB 4.26Å; K94-C97 WeakPolarHBondContact O-CB 3.38Å; K94-C97 PolarHBondContact O-N 3.05Å; L95-C97 PolarHBondContact O-N 2.74Å; C97-C99 VanDerWaalsContact C-N 3.31Å; C97-C99 PolarHBondContact O-N 3.08Å; C97-F100 HydrophobicContact CB-CB 3.99Å; C97-F100 PolarHBondContact O-N 3.25Å; C97-A101 WeakPolarHBondContact O-CB 3.35Å; C97-A101 PolarHBondContact O-N 3.4Å |
| 98 | E | 94.2 | Very high | 96.3 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.1 | -40 | 178.6 | -68.5 | 178.5 | -151.2 | 0 | 0 | 112.7 | F100 A101 Q102 | E98-F100 PolarHBondContact O-N 3Å; E98-A101 PolarHBondContact O-N 2.87Å; E98-Q102 VanDerWaalsContact O-CG 3.29Å; E98-Q102 WeakPolarHBondContact O-CG 3.49Å; E98-Q102 PolarHBondContact O-N 3.39Å |
| 99 | C | 96.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 10% | 0.101 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 178 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | C97 Q102 G103 Q104 | C97-C99 VanDerWaalsContact C-N 3.31Å; C97-C99 PolarHBondContact O-N 3.08Å; C99-Q102 PolarHBondContact O-N 3.46Å; C99-G103 PolarHBondContact O-N 2.97Å; C99-Q104 WeakPolarHBondContact O-CB 3.32Å; C99-Q104 PolarHBondContact O-N 2.92Å |
| 100 | F | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 177.3 | -174.5 | -95.7 | 0 | 0 | 0 | 112 | C92 L93 K94 L95 C97 E98 Q102 G103 A127 I128 F139 | C92-F100 WeakPolarHBondContact O-CB 3.48Å; C92-F100 VanDerWaalsContact O-CD2 3.23Å; C92-F100 WeakPolarHBondContact O-CD2 3.31Å; C92-F100 VanDerWaalsContact O-CG 3.29Å; C92-F100 WeakPolarHBondContact O-CG 3.33Å; L93-F100 HydrophobicContact CD2-CD2 4.45Å; L93-F100 HydrophobicContact CD2-CE2 4.22Å; K94-F100 VanDerWaalsContact C-CD1 3.49Å; L95-F100 HydrophobicContact CD2-CD1 4.14Å; L95-F100 HydrophobicContact CD2-CE1 4.28Å; C97-F100 HydrophobicContact CB-CB 3.99Å; C97-F100 PolarHBondContact O-N 3.25Å; E98-F100 PolarHBondContact O-N 3Å; F100-Q102 PolarHBondContact O-N 2.96Å; F100-G103 WeakPolarHBondContact O-CA 3.41Å; F100-G103 PolarHBondContact O-N 3.19Å; F100-A127 HydrophobicContact CE2-CB 4.26Å; F100-A127 HydrophobicContact CZ-CB 4.02Å; F100-I128 HydrophobicContact CE2-CG1 3.87Å; F100-I128 HydrophobicContact CZ-CG1 3.99Å; F100-F139 HydrophobicContact CD1-CE1 4.09Å; F100-F139 HydrophobicContact CD1-CZ 4.44Å; F100-F139 AromaticContact CE1-CE1 3.85Å; F100-F139 HydrophobicContact CE1-CE1 3.85Å; F100-F139 AromaticContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CZ-CE1 4.29Å; F100-F139 AromaticContact CZ-CZ 3.92Å; F100-F139 HydrophobicContact CZ-CZ 3.92Å; F100-F139 VanDerWaalsContact O-CE1 3.23Å; F100-F139 WeakPolarHBondContact O-CE1 3.42Å |
| 101 | A | 95.2 | Very high | 96.4 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -29.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L95 C97 E98 G103 | L95-A101 HydrophobicContact CD2-CB 4.06Å; C97-A101 WeakPolarHBondContact O-CB 3.35Å; C97-A101 PolarHBondContact O-N 3.4Å; E98-A101 PolarHBondContact O-N 2.87Å; A101-G103 PolarHBondContact O-N 2.93Å |
| 102 | Q | 93 | Very high | 96.4 | Very high | 92 Ų | 92 | 57.6 Ų | 57.6 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.8 | 170.9 | -65.6 | 173.6 | 30.9 | 0 | 0 | 113.4 | E98 C99 F100 Q104 | E98-Q102 VanDerWaalsContact O-CG 3.29Å; E98-Q102 WeakPolarHBondContact O-CG 3.49Å; E98-Q102 PolarHBondContact O-N 3.39Å; C99-Q102 PolarHBondContact O-N 3.46Å; F100-Q102 PolarHBondContact O-N 2.96Å; Q102-Q104 VanDerWaalsContact C-N 3.25Å; Q102-Q104 HydrophobicContact CB-CG 3.84Å; Q102-Q104 PolarHBondContact O-N 3.49Å |
| 103 | G | 94.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 16.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T7 A8 C99 F100 A101 R124 | T7-G103 WeakPolarHBondContact CA-O 3.46Å; A8-G103 PolarHBondContact N-O 2.82Å; A8-G103 VanDerWaalsContact N-O 3.12Å; C99-G103 PolarHBondContact O-N 2.97Å; F100-G103 WeakPolarHBondContact O-CA 3.41Å; F100-G103 PolarHBondContact O-N 3.19Å; A101-G103 PolarHBondContact O-N 2.93Å; G103-R124 PolarHBondContact O-NH2 2.78Å |
| 104 | Q | 94.5 | Very high | 96.3 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 164.7 | -174.8 | -54.3 | -70.6 | -87.5 | 0 | 0 | 111.4 | N6 R82 C99 Q102 N116 | N6-Q104 PolarHBondContact O-NE2 3.04Å; R82-Q104 VanDerWaalsContact NH1-CG 3.34Å; C99-Q104 WeakPolarHBondContact O-CB 3.32Å; C99-Q104 PolarHBondContact O-N 2.92Å; Q102-Q104 VanDerWaalsContact C-N 3.25Å; Q102-Q104 HydrophobicContact CB-CG 3.84Å; Q102-Q104 PolarHBondContact O-N 3.49Å; Q104-N116 PolarHBondContact O-ND2 3.37Å; Q104-N116 PolarHBondContact O-OD1 3.13Å |
| 105 | L | 96.6 | Very high | 96.3 | Very high | 20 Ų | 20 | 61.1 Ų | 61.1 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 154.4 | 166.4 | -56 | 175 | 0 | 0 | 0 | 110.3 | L118 R124 | L105-L118 HydrophobicContact CD1-CD2 3.7Å; L105-L118 HydrophobicContact CD1-CG 3.81Å; L105-R124 VanDerWaalsContact CD2-NE 3.34Å |
| 106 | C | 97.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 126.8 | 167.5 | -67.2 | 0 | 0 | 0 | 0 | 109.3 | C92 C109 N116 | C92-C106 VanDerWaalsContact SG-SG 3.7Å; C106-C109 HydrophobicContact CB-CB 4.27Å; C106-N116 PolarHBondContact N-ND2 2.92Å; C106-N116 PolarHBondContact N-O 2.95Å; C106-N116 PolarHBondContact SG-ND2 2.82Å; C106-N116 VanDerWaalsContact SG-ND2 3.42Å |
| 107 | Q | 95.2 | Very high | 96.4 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | trans | -129.9 | 130.7 | 176.6 | -67 | 176.6 | -12.7 | 0 | 0 | 107.4 | C109 | Q107-C109 PolarHBondContact O-N 3.24Å; Q107-C109 VanDerWaalsContact O-N 3.1Å; Q107-C109 PolarHBondContact O-SG 3.2Å | ||
| 108 | N | 95.2 | Very high | 96.2 | Very high | 136 Ų | 136 | 54.6 Ų | 54.6 | 73% | 0.727 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 46.5 | 43.3 | 179.9 | -58.7 | 86.6 | 0 | 0 | 0 | 114 | P84 | P84-N108 WeakPolarHBondContact CB-O 3.36Š|
| 109 | C | 97.5 | Very high | 96.3 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | trans | -101.4 | 158.5 | -177.2 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | C85 C106 Q107 C111 | C85-C109 PolarHBondContact N-SG 2.93Å; C106-C109 HydrophobicContact CB-CB 4.27Å; Q107-C109 PolarHBondContact O-N 3.24Å; Q107-C109 VanDerWaalsContact O-N 3.1Å; Q107-C109 PolarHBondContact O-SG 3.2Å; C109-C111 VanDerWaalsContact C-N 3.3Å; C109-C111 VanDerWaalsContact CB-SG 3.58Å; C109-C111 PolarHBondContact O-N 3.17Å | ||
| 110 | N | 97.5 | Very high | 96.2 | Very high | 100 Ų | 100 | 58.2 Ų | 58.2 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | trans | -95 | 31.1 | -179.9 | -52.9 | -20.3 | 0 | 0 | 0 | 111.8 | C85 N86 | C85-N110 CarbonylContact O-C 3.5Å; C85-N110 WeakPolarHBondContact O-CA 3.5Å; C85-N110 PolarHBondContact O-N 3.29Å; N86-N110 VanDerWaalsContact OD1-CB 3.26Å; N86-N110 WeakPolarHBondContact OD1-CB 3.45Å; N86-N110 PolarHBondContact OD1-ND2 3.49Å | ||
| 111 | C | 98.2 | Very high | 96.2 | Very high | 22 Ų | 22 | 62 Ų | 62 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -96.2 | 132.5 | -171.8 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | C85 C87 C92 C109 C114 | C85-C111 PolarHBondContact O-N 2.99Å; C87-C111 HydrophobicContact CB-CB 3.99Å; C87-C111 CarbonylContact O-C 3.58Å; C87-C111 VanDerWaalsContact O-CA 3.28Å; C87-C111 WeakPolarHBondContact O-CA 3.33Å; C92-C111 VanDerWaalsContact SG-CB 3.5Å; C92-C111 VanDerWaalsContact SG-SG 3.7Å; C109-C111 VanDerWaalsContact C-N 3.3Å; C109-C111 VanDerWaalsContact CB-SG 3.58Å; C109-C111 PolarHBondContact O-N 3.17Å; C111-C114 VanDerWaalsContact SG-CB 3.59Å | ||
| 112 | N | 97.8 | Very high | 96.2 | Very high | 93 Ų | 93 | 67.7 Ų | 67.7 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 146 | 178.8 | -64.3 | -21.9 | 0 | 0 | 0 | 111.2 | C87 C114 | C87-N112 PolarHBondContact O-N 3.32Å; N112-C114 PolarHBondContact O-N 2.75Å; N112-C114 VanDerWaalsContact O-N 3.16Å |
| 113 | N | 96.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 66.3 Ų | 66.3 | 66% | 0.663 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 45.6 | 179 | -58.4 | 81.2 | 0 | 0 | 0 | 113.1 | H91 M115 | H91-N113 WeakPolarHBondContact CA-O 3.22Å; H91-N113 WeakPolarHBondContact ND1-CB 3.38Å; H91-N113 PolarHBondContact ND1-O 3.41Å; N113-M115 PolarHBondContact O-N 3.38Å |
| 114 | C | 98.3 | Very high | 96.5 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | trans | -71.5 | 123.5 | -174.9 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | C111 N112 N116 N117 | C111-C114 VanDerWaalsContact SG-CB 3.59Å; N112-C114 PolarHBondContact O-N 2.75Å; N112-C114 VanDerWaalsContact O-N 3.16Å; C114-N116 PolarHBondContact SG-N 3.33Å; C114-N117 PolarHBondContact O-ND2 3Å | ||
| 115 | M | 98 | Very high | 96.6 | Very high | 53 Ų | 53 | 64.8 Ų | 64.8 | 26% | 0.261 | 35% | 0.347 | S | S | . | . | trans | -108.6 | 3.5 | 172.9 | -63.3 | 169.7 | 177.8 | 0 | 0 | 112.5 | H91 L93 N113 N117 Y120 E123 | H91-M115 HydrophobicContact CB-CB 4.37Å; H91-M115 HydrophobicContact CB-CG 4.18Å; H91-M115 HydrophobicContact CB-SD 3.89Å; H91-M115 PolarHBondContact O-N 2.87Å; L93-M115 HydrophobicContact CD1-CB 3.66Å; L93-M115 HydrophobicContact CD1-CG 4.5Å; L93-M115 HydrophobicContact CD1-SD 4.06Å; L93-M115 HydrophobicContact CD2-CB 4.21Å; L93-M115 HydrophobicContact CG-CB 3.86Å; N113-M115 PolarHBondContact O-N 3.38Å; M115-N117 VanDerWaalsContact C-N 3.26Å; M115-N117 PolarHBondContact O-N 2.71Å; M115-N117 VanDerWaalsContact O-N 3.15Å; M115-Y120 HydrophobicContact CB-CD2 4.26Å; M115-Y120 HydrophobicContact CB-CG 4.02Å; M115-Y120 HydrophobicContact CG-CD1 4.14Å; M115-Y120 HydrophobicContact CG-CD2 4.14Å; M115-Y120 HydrophobicContact CG-CG 3.93Å; M115-E123 HydrophobicContact SD-CG 4.39Å | ||
| 116 | N | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -88.4 | 59.6 | 173.9 | -172.8 | 36.6 | 0 | 0 | 0 | 112 | C92 L93 Q104 C106 C114 R124 | C92-N116 HydrophobicContact CB-CB 3.44Å; C92-N116 VanDerWaalsContact CB-CB 3.44Å; C92-N116 WeakPolarHBondContact O-CB 3.37Å; L93-N116 HydrophobicContact CD2-CB 4.39Å; Q104-N116 PolarHBondContact O-ND2 3.37Å; Q104-N116 PolarHBondContact O-OD1 3.13Å; C106-N116 PolarHBondContact N-ND2 2.92Å; C106-N116 PolarHBondContact N-O 2.95Å; C106-N116 PolarHBondContact SG-ND2 2.82Å; C106-N116 VanDerWaalsContact SG-ND2 3.42Å; C114-N116 PolarHBondContact SG-N 3.33Å; N116-R124 WeakPolarHBondContact OD1-CD 3.38Å; N116-R124 PolarHBondContact OD1-NE 3.49Å |
| 117 | N | 95.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 70.1 Ų | 70.1 | 23% | 0.225 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -143.7 | -177.3 | 177.6 | 58 | 53.6 | 0 | 0 | 0 | 109 | C114 M115 A119 Y120 | C114-N117 PolarHBondContact O-ND2 3Å; M115-N117 VanDerWaalsContact C-N 3.26Å; M115-N117 PolarHBondContact O-N 2.71Å; M115-N117 VanDerWaalsContact O-N 3.15Å; N117-A119 VanDerWaalsContact C-N 3.34Å; N117-A119 WeakPolarHBondContact OD1-CB 3.34Å; N117-A119 PolarHBondContact OD1-N 3.49Å; N117-Y120 WeakPolarHBondContact OD1-CD2 3.45Å; N117-Y120 PolarHBondContact OD1-N 2.86Å |
| 118 | L | 94.5 | Very high | 96.7 | Very high | 103 Ų | 103 | 65.7 Ų | 65.7 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -76 | -17.1 | -178.6 | -63.4 | 178.2 | 0 | 0 | 0 | 114.1 | T5 L105 | T5-L118 WeakPolarHBondContact OG1-CD2 3.34Å; L105-L118 HydrophobicContact CD1-CD2 3.7Å; L105-L118 HydrophobicContact CD1-CG 3.81Å |
| 119 | A | 95.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 65.3 Ų | 65.3 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -23.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N117 | N117-A119 VanDerWaalsContact C-N 3.34Å; N117-A119 WeakPolarHBondContact OD1-CB 3.34Å; N117-A119 PolarHBondContact OD1-N 3.49Å |
| 120 | Y | 95.7 | Very high | 96.7 | Very high | 107 Ų | 107 | 68.3 Ų | 68.3 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 45.6 | 179.1 | -62 | -83.8 | 0 | 0 | 0 | 111 | M115 N117 E122 E123 R124 | M115-Y120 HydrophobicContact CB-CD2 4.26Å; M115-Y120 HydrophobicContact CB-CG 4.02Å; M115-Y120 HydrophobicContact CG-CD1 4.14Å; M115-Y120 HydrophobicContact CG-CD2 4.14Å; M115-Y120 HydrophobicContact CG-CG 3.93Å; N117-Y120 WeakPolarHBondContact OD1-CD2 3.45Å; N117-Y120 PolarHBondContact OD1-N 2.86Å; Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 3.44Å; Y120-E123 PolarHBondContact O-N 3.22Å; Y120-R124 VanDerWaalsContact O-CB 3.24Å; Y120-R124 WeakPolarHBondContact O-CB 3.47Å; Y120-R124 PolarHBondContact O-N 3.09Å |
| 121 | E | 95.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 63.8 Ų | 63.8 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -34.6 | -175.7 | -172.5 | 174 | 171.7 | 0 | 0 | 112.5 | T5 R124 G125 | T5-E121 WeakPolarHBondContact CG2-OE1 3.3Å; E121-R124 PolarHBondContact O-N 3.32Å; E121-G125 PolarHBondContact O-N 3.33Å |
| 122 | E | 95.2 | Very high | 96.6 | Very high | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.4 | -44.1 | -179.7 | -63.5 | -169.6 | -177.3 | 0 | 0 | 113 | Y120 R124 R126 | Y120-E122 VanDerWaalsContact C-N 3.28Å; Y120-E122 PolarHBondContact O-N 3.44Å; E122-R124 VanDerWaalsContact C-N 3.32Å; E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 WeakPolarHBondContact O-CG 3.47Å; E122-R126 PolarHBondContact O-N 2.95Å; E122-R126 PolarHBondContact O-NE 3.03Å; E122-R126 VanDerWaalsContact O-NE 3.11Å |
| 123 | E | 97.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 171.5 | -71.2 | 63 | -142.1 | 0 | 0 | 110.2 | L93 M115 Y120 R126 A127 | L93-E123 HydrophobicContact CD1-CB 3.8Å; M115-E123 HydrophobicContact SD-CG 4.39Å; Y120-E123 PolarHBondContact O-N 3.22Å; E123-R126 PolarHBondContact O-N 3.42Å; E123-R126 IonicContact OE1-CZ 3.97Å; E123-R126 IonicContact OE1-NH2 2.59Å; E123-R126 PolarHBondContact OE1-NH2 2.87Å; E123-R126 IonicContact OE2-NH2 3.23Å; E123-A127 WeakPolarHBondContact O-CB 3.5Å; E123-A127 PolarHBondContact O-N 2.59Å |
| 124 | R | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 179.1 | -176.2 | 179 | 177.8 | -103.4 | 3.9 | 112 | T5 L93 G103 L105 N116 Y120 E121 E122 A127 I128 | T5-R124 PolarHBondContact O-NH1 3.43Å; T5-R124 PolarHBondContact O-NH2 2.9Å; L93-R124 HydrophobicContact CD2-CB 4.02Å; L93-R124 HydrophobicContact CD2-CG 4.22Å; G103-R124 PolarHBondContact O-NH2 2.78Å; L105-R124 VanDerWaalsContact CD2-NE 3.34Å; N116-R124 WeakPolarHBondContact OD1-CD 3.38Å; N116-R124 PolarHBondContact OD1-NE 3.49Å; Y120-R124 VanDerWaalsContact O-CB 3.24Å; Y120-R124 WeakPolarHBondContact O-CB 3.47Å; Y120-R124 PolarHBondContact O-N 3.09Å; E121-R124 PolarHBondContact O-N 3.32Å; E122-R124 VanDerWaalsContact C-N 3.32Å; R124-A127 PolarHBondContact O-N 3.21Å; R124-I128 HydrophobicContact CG-CD1 3.95Å; R124-I128 VanDerWaalsContact O-CG1 3.3Å; R124-I128 WeakPolarHBondContact O-CG1 3.31Å; R124-I128 PolarHBondContact O-N 3.06Å |
| 125 | G | 96.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 69.8 Ų | 69.8 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | E121 A127 I128 K129 | E121-G125 PolarHBondContact O-N 3.33Å; G125-A127 PolarHBondContact O-N 2.9Å; G125-I128 PolarHBondContact O-N 3.5Å; G125-K129 WeakPolarHBondContact O-CB 3.23Å; G125-K129 PolarHBondContact O-N 3.42Å |
| 126 | R | 97.1 | Very high | 95.9 | Very high | 144 Ų | 144 | 71.7 Ų | 71.7 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 172.5 | -78 | 177.7 | -78.5 | 161.1 | -8.6 | 112 | E122 E123 K129 M130 | E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 WeakPolarHBondContact O-CG 3.47Å; E122-R126 PolarHBondContact O-N 2.95Å; E122-R126 PolarHBondContact O-NE 3.03Å; E122-R126 VanDerWaalsContact O-NE 3.11Å; E123-R126 PolarHBondContact O-N 3.42Å; E123-R126 IonicContact OE1-CZ 3.97Å; E123-R126 IonicContact OE1-NH2 2.59Å; E123-R126 PolarHBondContact OE1-NH2 2.87Å; E123-R126 IonicContact OE2-NH2 3.23Å; R126-K129 PolarHBondContact O-N 3.22Å; R126-M130 WeakPolarHBondContact O-CB 3.38Å; R126-M130 PolarHBondContact O-N 2.89Å |
| 127 | A | 97.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 75.6 Ų | 75.6 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L93 F100 E123 R124 G125 T131 | L93-A127 HydrophobicContact CB-CB 3.79Å; L93-A127 HydrophobicContact CD1-CB 4.28Å; L93-A127 HydrophobicContact CD2-CB 4.19Å; L93-A127 HydrophobicContact CG-CB 4.31Å; F100-A127 HydrophobicContact CE2-CB 4.26Å; F100-A127 HydrophobicContact CZ-CB 4.02Å; E123-A127 WeakPolarHBondContact O-CB 3.5Å; E123-A127 PolarHBondContact O-N 2.59Å; R124-A127 PolarHBondContact O-N 3.21Å; G125-A127 PolarHBondContact O-N 2.9Å; A127-T131 VanDerWaalsContact O-CB 3.28Å; A127-T131 WeakPolarHBondContact O-CB 3.34Å; A127-T131 PolarHBondContact O-N 2.95Å; A127-T131 VanDerWaalsContact O-N 3.1Å; A127-T131 PolarHBondContact O-OG1 3.33Å |
| 128 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64 | -49 | 174 | -70.8 | 165.9 | 0 | 0 | 0 | 110 | A8 Y11 F100 R124 G125 T131 L132 F139 | A8-I128 HydrophobicContact CB-CD1 4.02Å; A8-I128 HydrophobicContact CB-CG1 4.25Å; A8-I128 HydrophobicContact CB-CG2 4.14Å; Y11-I128 HydrophobicContact CD1-CG2 4.5Å; Y11-I128 HydrophobicContact CD2-CD1 3.91Å; Y11-I128 HydrophobicContact CD2-CG2 3.95Å; Y11-I128 HydrophobicContact CE2-CD1 3.72Å; Y11-I128 HydrophobicContact CG-CG2 3.81Å; F100-I128 HydrophobicContact CE2-CG1 3.87Å; F100-I128 HydrophobicContact CZ-CG1 3.99Å; R124-I128 HydrophobicContact CG-CD1 3.95Å; R124-I128 VanDerWaalsContact O-CG1 3.3Å; R124-I128 WeakPolarHBondContact O-CG1 3.31Å; R124-I128 PolarHBondContact O-N 3.06Å; G125-I128 PolarHBondContact O-N 3.5Å; I128-T131 WeakPolarHBondContact O-CB 3.41Å; I128-T131 PolarHBondContact O-N 3.41Å; I128-T131 VanDerWaalsContact O-N 3.1Å; I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 PolarHBondContact O-N 3.33Å; I128-F139 HydrophobicContact CB-CE2 4.48Å; I128-F139 HydrophobicContact CG1-CZ 4.24Å; I128-F139 HydrophobicContact CG2-CE2 3.94Å; I128-F139 HydrophobicContact CG2-CZ 4.41Å |
| 129 | K | 96.3 | Very high | 95.4 | Very high | 128 Ų | 128 | 70.6 Ų | 70.6 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.7 | -53.6 | 178.8 | -166.7 | -173.8 | -174.6 | -106.6 | 0 | 111.8 | G125 R126 T131 L132 E133 | G125-K129 WeakPolarHBondContact O-CB 3.23Å; G125-K129 PolarHBondContact O-N 3.42Å; R126-K129 PolarHBondContact O-N 3.22Å; K129-T131 PolarHBondContact O-N 3.32Å; K129-T131 VanDerWaalsContact O-N 3.13Å; K129-L132 PolarHBondContact O-N 2.95Å; K129-L132 VanDerWaalsContact O-N 3.09Å; K129-E133 VanDerWaalsContact CE-OE1 3.31Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 WeakPolarHBondContact CG-OE1 3.47Å; K129-E133 IonicContact NZ-OE1 2.73Å; K129-E133 PolarHBondContact NZ-OE1 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.49Å; K129-E133 PolarHBondContact O-N 2.63Å |
| 130 | M | 96.6 | Very high | 95.1 | Very high | 94 Ų | 94 | 72.1 Ų | 72.1 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.3 | -23 | 177.2 | -175.9 | -175.9 | 60.8 | 0 | 0 | 113.1 | R126 R134 | R126-M130 WeakPolarHBondContact O-CB 3.38Å; R126-M130 PolarHBondContact O-N 2.89Å; M130-R134 WeakPolarHBondContact O-CG 3.24Å; M130-R134 PolarHBondContact O-NE 3.21Å |
| 131 | T | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.025 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -80.2 | -41.1 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | L95 A127 I128 K129 R134 N135 A138 F139 | L95-T131 HydrophobicContact CD1-CG2 3.85Å; L95-T131 HydrophobicContact CD2-CG2 3.98Å; L95-T131 HydrophobicContact CG-CG2 3.88Å; A127-T131 VanDerWaalsContact O-CB 3.28Å; A127-T131 WeakPolarHBondContact O-CB 3.34Å; A127-T131 PolarHBondContact O-N 2.95Å; A127-T131 VanDerWaalsContact O-N 3.1Å; A127-T131 PolarHBondContact O-OG1 3.33Å; I128-T131 WeakPolarHBondContact O-CB 3.41Å; I128-T131 PolarHBondContact O-N 3.41Å; I128-T131 VanDerWaalsContact O-N 3.1Å; K129-T131 PolarHBondContact O-N 3.32Å; K129-T131 VanDerWaalsContact O-N 3.13Å; T131-R134 PolarHBondContact O-N 3.45Å; T131-N135 PolarHBondContact O-N 3.45Å; T131-A138 HydrophobicContact CG2-CB 3.63Å; T131-F139 HydrophobicContact CG2-CE1 4.47Å; T131-F139 HydrophobicContact CG2-CE2 3.83Å; T131-F139 HydrophobicContact CG2-CZ 3.67Å |
| 132 | L | 95.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 72.9 Ų | 72.9 | 15% | 0.147 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 174.2 | -73.4 | 165.9 | 0 | 0 | 0 | 112.7 | V12 I128 K129 R134 N135 P136 F139 | V12-L132 HydrophobicContact CG2-CD1 3.73Å; V12-L132 HydrophobicContact CG2-CD2 3.98Å; I128-L132 HydrophobicContact CG2-CD1 3.94Å; I128-L132 PolarHBondContact O-N 3.33Å; K129-L132 PolarHBondContact O-N 2.95Å; K129-L132 VanDerWaalsContact O-N 3.09Å; L132-R134 PolarHBondContact O-N 3.12Å; L132-N135 CarbonylContact O-C 3.5Å; L132-N135 PolarHBondContact O-N 2.72Å; L132-P136 WeakPolarHBondContact CD2-O 3.32Å; L132-P136 VanDerWaalsContact O-N 3.15Å; L132-F139 HydrophobicContact CD2-CD2 3.88Å; L132-F139 HydrophobicContact CD2-CE2 4.34Å; L132-F139 HydrophobicContact CG-CD2 4.03Å; L132-F139 HydrophobicContact CG-CE2 4Å |
| 133 | E | 96.1 | Very high | 94.2 | Very high | 125 Ų | 125 | 67.8 Ų | 67.8 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.1 | -32.2 | 175.5 | -74.5 | 168.3 | 172.4 | 0 | 0 | 112.4 | K129 | K129-E133 VanDerWaalsContact CE-OE1 3.31Å; K129-E133 WeakPolarHBondContact CE-OE1 3.32Å; K129-E133 HydrophobicContact CG-CG 4.47Å; K129-E133 WeakPolarHBondContact CG-OE1 3.47Å; K129-E133 IonicContact NZ-OE1 2.73Å; K129-E133 PolarHBondContact NZ-OE1 3.33Å; K129-E133 WeakPolarHBondContact O-CG 3.49Å; K129-E133 PolarHBondContact O-N 2.63Å |
| 134 | R | 95.8 | Very high | 93.4 | Very high | 175 Ų | 175 | 66.3 Ų | 66.3 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -87.7 | -27.8 | 176.8 | -69.5 | 178.8 | -66.2 | 162.4 | 2.4 | 113.8 | M130 T131 L132 | M130-R134 WeakPolarHBondContact O-CG 3.24Å; M130-R134 PolarHBondContact O-NE 3.21Å; T131-R134 PolarHBondContact O-N 3.45Å; L132-R134 PolarHBondContact O-N 3.12Å |
| 135 | N | 91.7 | Very high | 92 | Very high | 61 Ų | 61 | 77.4 Ų | 77.4 | 33% | 0.326 | 38% | 0.376 | S | S | . | . | trans | -154.9 | 110.7 | 171.7 | 174 | 19 | 0 | 0 | 0 | 109.9 | T131 L132 T137 A138 | T131-N135 PolarHBondContact O-N 3.45Å; L132-N135 CarbonylContact O-C 3.5Å; L132-N135 PolarHBondContact O-N 2.72Å; N135-T137 PolarHBondContact ND2-OG1 2.99Å; N135-T137 PolarHBondContact O-N 2.95Å; N135-T137 VanDerWaalsContact O-N 3.11Å; N135-T137 PolarHBondContact OD1-N 3.45Å; N135-T137 PolarHBondContact OD1-OG1 3.27Å; N135-A138 HydrophobicContact CB-CB 4.2Å; N135-A138 PolarHBondContact ND2-N 2.73Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 2.91Å | ||
| 136 | P | 93.6 | Very high | 90.3 | Very high | 94 Ų | 94 | 79.1 Ų | 79.1 | 61% | 0.61 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.7 | -179.2 | 25.4 | -34.4 | 0 | 0 | 0 | 112.9 | L132 | L132-P136 WeakPolarHBondContact CD2-O 3.32Å; L132-P136 VanDerWaalsContact O-N 3.15Å |
| 137 | T | 89.9 | Confident | 88.6 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.9 | 177.6 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | N135 F139 H140 | N135-T137 PolarHBondContact ND2-OG1 2.99Å; N135-T137 PolarHBondContact O-N 2.95Å; N135-T137 VanDerWaalsContact O-N 3.11Å; N135-T137 PolarHBondContact OD1-N 3.45Å; N135-T137 PolarHBondContact OD1-OG1 3.27Å; T137-F139 PolarHBondContact O-N 3.44Å; T137-F139 VanDerWaalsContact O-N 3.07Å; T137-H140 WeakPolarHBondContact O-CB 3.26Å; T137-H140 PolarHBondContact O-N 3.38Å |
| 138 | A | 93.1 | Very high | 87.2 | Confident | 16 Ų | 16 | 84.7 Ų | 84.7 | 13% | 0.132 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -31.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L95 T131 N135 | L95-A138 HydrophobicContact CD1-CB 4.21Å; T131-A138 HydrophobicContact CG2-CB 3.63Å; N135-A138 HydrophobicContact CB-CB 4.2Å; N135-A138 PolarHBondContact ND2-N 2.73Å; N135-A138 WeakPolarHBondContact O-CB 3.4Å; N135-A138 PolarHBondContact O-N 2.91Å |
| 139 | F | 93.6 | Very high | 86.1 | Confident | 24 Ų | 24 | 90.1 Ų | 90.1 | 11% | 0.105 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 11.2 | 178.8 | -56.6 | -73.2 | 0 | 0 | 0 | 113.1 | A8 L95 F100 I128 T131 L132 T137 | A8-F139 HydrophobicContact CB-CB 4.43Å; A8-F139 HydrophobicContact CB-CD1 4.03Å; A8-F139 HydrophobicContact CB-CD2 4.03Å; A8-F139 HydrophobicContact CB-CE1 4.27Å; A8-F139 HydrophobicContact CB-CE2 4.27Å; A8-F139 HydrophobicContact CB-CG 3.9Å; A8-F139 HydrophobicContact CB-CZ 4.38Å; L95-F139 HydrophobicContact CD2-CD1 4.3Å; L95-F139 HydrophobicContact CD2-CE1 3.8Å; L95-F139 HydrophobicContact CD2-CZ 4.35Å; F100-F139 HydrophobicContact CD1-CE1 4.09Å; F100-F139 HydrophobicContact CD1-CZ 4.44Å; F100-F139 AromaticContact CE1-CE1 3.85Å; F100-F139 HydrophobicContact CE1-CE1 3.85Å; F100-F139 AromaticContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CE1-CZ 3.74Å; F100-F139 HydrophobicContact CZ-CE1 4.29Å; F100-F139 AromaticContact CZ-CZ 3.92Å; F100-F139 HydrophobicContact CZ-CZ 3.92Å; F100-F139 VanDerWaalsContact O-CE1 3.23Å; F100-F139 WeakPolarHBondContact O-CE1 3.42Å; I128-F139 HydrophobicContact CB-CE2 4.48Å; I128-F139 HydrophobicContact CG1-CZ 4.24Å; I128-F139 HydrophobicContact CG2-CE2 3.94Å; I128-F139 HydrophobicContact CG2-CZ 4.41Å; T131-F139 HydrophobicContact CG2-CE1 4.47Å; T131-F139 HydrophobicContact CG2-CE2 3.83Å; T131-F139 HydrophobicContact CG2-CZ 3.67Å; L132-F139 HydrophobicContact CD2-CD2 3.88Å; L132-F139 HydrophobicContact CD2-CE2 4.34Å; L132-F139 HydrophobicContact CG-CD2 4.03Å; L132-F139 HydrophobicContact CG-CE2 4Å; T137-F139 PolarHBondContact O-N 3.44Å; T137-F139 VanDerWaalsContact O-N 3.07Å |
| 140 | H | 88.8 | Confident | 85.7 | Confident | 120 Ų | 120 | 92.1 Ų | 92.1 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -81.6 | 152.6 | 170 | -77.6 | -116.3 | 0 | 0 | 0 | 110.7 | T137 K142 | T137-H140 WeakPolarHBondContact O-CB 3.26Å; T137-H140 PolarHBondContact O-N 3.38Å; H140-K142 PolarHBondContact O-N 3.22Å |
| 141 | P | 88.6 | Confident | 85.4 | Confident | 85 Ų | 85 | 90.9 Ų | 90.9 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | trans | -56.8 | 126.6 | 173.5 | -24.3 | 34.4 | 0 | 0 | 0 | 111.8 | I143 | P141-I143 PolarHBondContact O-N 3Š| ||
| 142 | K | 89.8 | Confident | 85.2 | Confident | 118 Ų | 118 | 90.9 Ų | 90.9 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -66.4 | -20.2 | 179.6 | -62.5 | -177.7 | -177.9 | 176.4 | 0 | 114.1 | H140 T153 E169 | H140-K142 PolarHBondContact O-N 3.22Å; K142-T153 PolarHBondContact O-N 3.48Å; K142-T153 PolarHBondContact O-OG1 3.19Å; K142-E169 IonicContact NZ-OE1 2.87Å; K142-E169 PolarHBondContact NZ-OE1 3.13Å |
| 143 | I | 89 | Confident | 85 | Confident | 41 Ų | 41 | 94.3 Ų | 94.3 | 21% | 0.21 | 48% | 0.483 | C | S | . | . | B | Isolated β-bridge | trans | -110.1 | 127.8 | -179.9 | -48 | -60.9 | 0 | 0 | 0 | 108.5 | P141 R150 H152 A173 I175 | P141-I143 PolarHBondContact O-N 3Å; I143-R150 HydrophobicContact CG2-CB 4.31Å; I143-H152 HydrophobicContact CD1-CB 4.22Å; I143-A173 HydrophobicContact CD1-CB 3.57Å; I143-A173 HydrophobicContact CG1-CB 3.81Å; I143-I175 HydrophobicContact CD1-CD1 3.75Å; I143-I175 HydrophobicContact CD1-CG1 4.45Å; I143-I175 HydrophobicContact CG2-CD1 4.43Å |
| 144 | G | 79.4 | Confident | 84.7 | Confident | 32 Ų | 32 | 96.1 Ų | 96.1 | 33% | 0.33 | 49% | 0.489 | S | S | . | . | trans | -61.4 | 135.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G146 K151 | G144-G146 VanDerWaalsContact C-N 3.34Å; G144-K151 PolarHBondContact N-O 3.26Å | ||
| 145 | R | 69.4 | Low | 84.7 | Confident | 234 Ų | 234 | 87.8 Ų | 87.8 | 88% | 0.883 | 46% | 0.458 | S | S | * | . | trans | -98.4 | 39.4 | 174.5 | -65.9 | -175.4 | 176 | -118.5 | 2.7 | 112 | ||||
| 146 | G | 60.7 | Low | 85 | Confident | 50 Ų | 50 | 85 Ų | 85 | 52% | 0.515 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -84.7 | 163.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G144 | G144-G146 VanDerWaalsContact C-N 3.34Š|
| 147 | E | 61.3 | Low | 85.2 | Confident | 212 Ų | 212 | 85.1 Ų | 85.1 | 99% | 0.991 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -75.9 | -12.2 | 169.7 | -161.7 | 163.7 | -164.5 | 0 | 0 | 112.2 | ||
| 148 | G | 67.3 | Low | 85.6 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 58% | 0.577 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -82.4 | -175.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R150 | G148-R150 PolarHBondContact O-N 2.89Š|
| 149 | E | 74.5 | Confident | 85.9 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | trans | -54.8 | 117.9 | -177.9 | -158.3 | -166.7 | 141.4 | 0 | 0 | 112.1 | K151 | E149-K151 VanDerWaalsContact CD-NZ 3.29Å; E149-K151 PolarHBondContact O-N 3.02Å; E149-K151 WeakPolarHBondContact OE1-CE 3.06Å; E149-K151 IonicContact OE1-NZ 3.13Å; E149-K151 PolarHBondContact OE1-NZ 3.22Å; E149-K151 WeakPolarHBondContact OE2-CE 3.36Å; E149-K151 IonicContact OE2-NZ 2.69Å; E149-K151 PolarHBondContact OE2-NZ 3.21Å | ||
| 150 | R | 87.1 | Confident | 86 | Confident | 171 Ų | 171 | 98.9 Ų | 98.9 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | trans | -72.4 | 101.3 | -175.5 | -63.3 | -172.6 | -162.1 | 122.1 | 4.6 | 111 | I143 G148 I175 | I143-R150 HydrophobicContact CG2-CB 4.31Å; G148-R150 PolarHBondContact O-N 2.89Å; R150-I175 HydrophobicContact CB-CG2 3.93Å; R150-I175 WeakPolarHBondContact O-CB 3.5Å; R150-I175 VanDerWaalsContact O-CD1 3.29Å; R150-I175 WeakPolarHBondContact O-CD1 3.36Å; R150-I175 WeakPolarHBondContact O-CG2 3.45Å | ||
| 151 | K | 91.1 | Very high | 86.4 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 29% | 0.291 | 46% | 0.463 | S | S | . | . | trans | -105.7 | 156.4 | 179.5 | -67.6 | 177.9 | -176.9 | 177.7 | 0 | 112.9 | G144 E149 | G144-K151 PolarHBondContact N-O 3.26Å; E149-K151 VanDerWaalsContact CD-NZ 3.29Å; E149-K151 PolarHBondContact O-N 3.02Å; E149-K151 WeakPolarHBondContact OE1-CE 3.06Å; E149-K151 IonicContact OE1-NZ 3.13Å; E149-K151 PolarHBondContact OE1-NZ 3.22Å; E149-K151 WeakPolarHBondContact OE2-CE 3.36Å; E149-K151 IonicContact OE2-NZ 2.69Å; E149-K151 PolarHBondContact OE2-NZ 3.21Å | ||
| 152 | H | 92.3 | Very high | 86.8 | Confident | 4 Ų | 4 | 90.8 Ų | 90.8 | 2% | 0.019 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 115.2 | 170.3 | -172.5 | -98.6 | 0 | 0 | 0 | 109.2 | I143 K154 G155 E169 I175 | I143-H152 HydrophobicContact CD1-CB 4.22Å; H152-K154 PolarHBondContact O-N 2.86Å; H152-G155 PolarHBondContact CE1-O 3.17Å; H152-G155 VanDerWaalsContact ND1-C 3.31Å; H152-G155 WeakPolarHBondContact ND1-CA 3.4Å; H152-G155 PolarHBondContact ND1-N 3.25Å; H152-G155 VanDerWaalsContact ND1-N 3.15Å; H152-G155 PolarHBondContact ND1-O 3.28Å; H152-G155 PolarHBondContact O-N 3.04Å; H152-E169 IonicContact CE1-OE2 2.71Å; H152-E169 PolarHBondContact CE1-OE2 3.46Å; H152-E169 VanDerWaalsContact CE1-OE2 3.23Å; H152-E169 IonicContact NE2-OE2 2.74Å; H152-E169 PolarHBondContact NE2-OE2 3.28Å; H152-I175 HydrophobicContact CB-CD1 4.08Å |
| 153 | T | 91 | Very high | 87.3 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 61% | 0.613 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.4 | -167.5 | -47.9 | 0 | 0 | 0 | 0 | 114.3 | K142 | K142-T153 PolarHBondContact O-N 3.48Å; K142-T153 PolarHBondContact O-OG1 3.19Å |
| 154 | K | 91.5 | Very high | 87.6 | Confident | 163 Ų | 163 | 83.9 Ų | 83.9 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -10.8 | 178.8 | -174.2 | 172.1 | 177.3 | -179.4 | 0 | 114.1 | H152 | H152-K154 PolarHBondContact O-N 2.86Š|
| 155 | G | 95.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | trans | 62.2 | 172 | -161 | 0 | 0 | 0 | 0 | 0 | 114.1 | H152 C181 | H152-G155 PolarHBondContact CE1-O 3.17Å; H152-G155 VanDerWaalsContact ND1-C 3.31Å; H152-G155 WeakPolarHBondContact ND1-CA 3.4Å; H152-G155 PolarHBondContact ND1-N 3.25Å; H152-G155 VanDerWaalsContact ND1-N 3.15Å; H152-G155 PolarHBondContact ND1-O 3.28Å; H152-G155 PolarHBondContact O-N 3.04Å; G155-C181 VanDerWaalsContact CA-SG 3.54Å | ||
| 156 | C | 97.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | trans | -103.8 | 166.8 | 176.1 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | C168 C181 R182 | C156-C168 VanDerWaalsContact SG-SG 3.67Å; C156-C181 PolarHBondContact N-SG 3.22Å; C156-C181 CarbonylContact O-C 3.06Å; C156-R182 PolarHBondContact O-N 2.9Å | ||
| 157 | N | 98.1 | Very high | 91.4 | Very high | 96 Ų | 96 | 89.2 Ų | 89.2 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | trans | -128.1 | 34.3 | -177.9 | -62.3 | -93.7 | 0 | 0 | 0 | 112 | ||||
| 158 | C | 98.5 | Very high | 93.1 | Very high | 18 Ų | 18 | 79.1 Ų | 79.1 | 12% | 0.122 | 38% | 0.375 | C | S | . | . | trans | -68.5 | 137.9 | -172.6 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | S161 C168 C183 Q184 | C158-S161 WeakPolarHBondContact CB-OG 3.41Å; C158-C168 VanDerWaalsContact SG-CB 3.54Å; C158-C183 HydrophobicContact CB-CB 4.17Å; C158-C183 CarbonylContact O-C 3.37Å; C158-C183 VanDerWaalsContact O-CA 3.24Å; C158-C183 WeakPolarHBondContact O-CA 3.48Å; C158-C183 WeakPolarHBondContact O-CB 3.31Å; C158-Q184 PolarHBondContact O-N 3.4Å | ||
| 159 | K | 97.9 | Very high | 94.4 | Very high | 154 Ų | 154 | 79.6 Ų | 79.6 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -111.3 | -29.3 | 177.7 | -58.5 | -170.8 | 178.5 | -174.9 | 0 | 115.3 | ||
| 160 | R | 97.6 | Very high | 95.5 | Very high | 239 Ų | 239 | 74.2 Ų | 74.2 | 90% | 0.902 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -125.1 | -6.4 | -168.7 | -65.2 | -170.8 | -71.3 | 167.1 | -3.9 | 115.5 | ||
| 161 | S | 96.7 | Very high | 96 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -91.7 | -5.4 | -173.4 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | C158 C163 L164 | C158-S161 WeakPolarHBondContact CB-OG 3.41Å; S161-C163 PolarHBondContact O-N 3.36Å; S161-C163 PolarHBondContact OG-N 3.34Å; S161-L164 PolarHBondContact O-N 3.14Å |
| 162 | G | 97.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 9 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L164 G185 R187 | G162-L164 PolarHBondContact O-N 3.44Å; G162-G185 WeakPolarHBondContact CA-O 2.84Å; G162-R187 PolarHBondContact O-N 3.01Å |
| 163 | C | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 15.6 | -161.7 | -59 | 0 | 0 | 0 | 0 | 115.8 | S161 C168 Y171 C183 N188 | S161-C163 PolarHBondContact O-N 3.36Å; S161-C163 PolarHBondContact OG-N 3.34Å; C163-C168 HydrophobicContact CB-CB 4.23Å; C163-Y171 WeakPolarHBondContact O-CB 3.36Å; C163-C183 WeakPolarHBondContact SG-CB 3.48Å; C163-N188 HydrophobicContact CB-CB 3.32Å; C163-N188 WeakPolarHBondContact O-CB 3Å |
| 164 | L | 96.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | trans | -108 | 20.5 | 179.9 | -64.4 | -178.3 | 0 | 0 | 0 | 114 | S161 G162 Y171 R187 N188 E194 R195 L198 | S161-L164 PolarHBondContact O-N 3.14Å; G162-L164 PolarHBondContact O-N 3.44Å; L164-Y171 HydrophobicContact CB-CE2 4.47Å; L164-Y171 HydrophobicContact CD2-CD2 4Å; L164-Y171 HydrophobicContact CD2-CE2 3.94Å; L164-Y171 WeakPolarHBondContact O-CE1 3.37Å; L164-R187 HydrophobicContact CD1-CB 3.61Å; L164-R187 HydrophobicContact CG-CB 4Å; L164-N188 HydrophobicContact CD2-CB 4.1Å; L164-E194 HydrophobicContact CD1-CB 3.94Å; L164-E194 HydrophobicContact CD1-CG 3.63Å; L164-R195 HydrophobicContact CD2-CB 3.73Å; L164-R195 HydrophobicContact CD2-CG 4.11Å; L164-L198 HydrophobicContact CB-CD1 4.08Å; L164-L198 HydrophobicContact CD1-CD1 4.18Å | ||
| 165 | K | 96.4 | Very high | 96.5 | Very high | 121 Ų | 121 | 63.3 Ų | 63.3 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -129.2 | 153.9 | 176.5 | -58.1 | -177.9 | -178.8 | -178.2 | 0 | 108.9 | Y167 C168 Y171 | K165-Y167 HydrophobicContact CB-CD2 3.78Å; K165-Y167 HydrophobicContact CB-CE2 4.44Å; K165-Y167 HydrophobicContact CD-CD2 4.38Å; K165-Y167 HydrophobicContact CD-CE2 4.49Å; K165-Y167 PolarHBondContact O-N 3.32Å; K165-C168 PolarHBondContact O-N 3.35Å; K165-Y171 VanDerWaalsContact C-CD1 3.49Å |
| 166 | N | 95.7 | Very high | 96.5 | Very high | 104 Ų | 104 | 64 Ų | 64 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -8.5 | -178.2 | -65.5 | -31 | 0 | 0 | 0 | 114.5 | C168 | N166-C168 PolarHBondContact O-N 3.18Š|
| 167 | Y | 96 | Very high | 96.4 | Very high | 202 Ų | 202 | 64.7 Ų | 64.7 | 79% | 0.792 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15 | 165.1 | -56.2 | -69.9 | 0 | 0 | 0 | 114.3 | K165 | K165-Y167 HydrophobicContact CB-CD2 3.78Å; K165-Y167 HydrophobicContact CB-CE2 4.44Å; K165-Y167 HydrophobicContact CD-CD2 4.38Å; K165-Y167 HydrophobicContact CD-CE2 4.49Å; K165-Y167 PolarHBondContact O-N 3.32Å |
| 168 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -98.3 | 117.9 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | C156 C158 C163 K165 N166 C170 Y171 E172 | C156-C168 VanDerWaalsContact SG-SG 3.67Å; C158-C168 VanDerWaalsContact SG-CB 3.54Å; C163-C168 HydrophobicContact CB-CB 4.23Å; K165-C168 PolarHBondContact O-N 3.35Å; N166-C168 PolarHBondContact O-N 3.18Å; C168-C170 PolarHBondContact O-N 3.19Å; C168-C170 VanDerWaalsContact O-N 3.15Å; C168-Y171 PolarHBondContact O-N 3.39Å; C168-E172 WeakPolarHBondContact O-CB 3.49Å; C168-E172 PolarHBondContact O-N 3.39Å |
| 169 | E | 94.9 | Very high | 96.1 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.8 | -32.3 | 179.7 | -59.7 | 179.9 | 120.3 | 0 | 0 | 112.5 | K142 H152 A173 | K142-E169 IonicContact NZ-OE1 2.87Å; K142-E169 PolarHBondContact NZ-OE1 3.13Å; H152-E169 IonicContact CE1-OE2 2.71Å; H152-E169 PolarHBondContact CE1-OE2 3.46Å; H152-E169 VanDerWaalsContact CE1-OE2 3.23Å; H152-E169 IonicContact NE2-OE2 2.74Å; H152-E169 PolarHBondContact NE2-OE2 3.28Å; E169-A173 WeakPolarHBondContact O-CB 3.46Å; E169-A173 PolarHBondContact O-N 2.99Å; E169-A173 VanDerWaalsContact O-N 3.11Å |
| 170 | C | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.8 | -46.3 | 177 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | C168 A173 K174 I175 C181 | C168-C170 PolarHBondContact O-N 3.19Å; C168-C170 VanDerWaalsContact O-N 3.15Å; C170-A173 CarbonylContact O-C 3.52Å; C170-A173 PolarHBondContact O-N 2.82Å; C170-K174 PolarHBondContact O-N 3.29Å; C170-K174 VanDerWaalsContact O-N 3.12Å; C170-I175 CarbonylContact C-O 3.46Å; C170-I175 HydrophobicContact CB-CG1 4.16Å; C170-I175 VanDerWaalsContact O-CG1 3.31Å; C170-I175 WeakPolarHBondContact O-CG1 2.99Å; C170-I175 PolarHBondContact O-N 3.04Å; C170-I175 VanDerWaalsContact O-O 3.06Å; C170-C181 VanDerWaalsContact SG-SG 3.69Å |
| 171 | Y | 96.9 | Very high | 96 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | 179.4 | -177.2 | -95.3 | 0 | 0 | 0 | 112.6 | C163 L164 K165 C168 A173 K174 | C163-Y171 WeakPolarHBondContact O-CB 3.36Å; L164-Y171 HydrophobicContact CB-CE2 4.47Å; L164-Y171 HydrophobicContact CD2-CD2 4Å; L164-Y171 HydrophobicContact CD2-CE2 3.94Å; L164-Y171 WeakPolarHBondContact O-CE1 3.37Å; K165-Y171 VanDerWaalsContact C-CD1 3.49Å; C168-Y171 PolarHBondContact O-N 3.39Å; Y171-A173 VanDerWaalsContact C-N 3.33Å; Y171-K174 PolarHBondContact O-N 2.61Å; Y171-K174 PolarHBondContact O-NZ 3.48Å |
| 172 | E | 95.1 | Very high | 96 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.5 | -51 | 170.8 | -173.6 | -178.5 | -162.5 | 0 | 0 | 110.1 | C168 K174 | C168-E172 WeakPolarHBondContact O-CB 3.49Å; C168-E172 PolarHBondContact O-N 3.39Å; E172-K174 PolarHBondContact O-N 3.21Å; E172-K174 VanDerWaalsContact O-N 3.14Å; E172-K174 PolarHBondContact O-NZ 3.26Å |
| 173 | A | 93.2 | Very high | 96.1 | Very high | 42 Ų | 42 | 62 Ų | 62 | 35% | 0.347 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I143 E169 C170 Y171 I175 | I143-A173 HydrophobicContact CD1-CB 3.57Å; I143-A173 HydrophobicContact CG1-CB 3.81Å; E169-A173 WeakPolarHBondContact O-CB 3.46Å; E169-A173 PolarHBondContact O-N 2.99Å; E169-A173 VanDerWaalsContact O-N 3.11Å; C170-A173 CarbonylContact O-C 3.52Å; C170-A173 PolarHBondContact O-N 2.82Å; Y171-A173 VanDerWaalsContact C-N 3.33Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 HydrophobicContact CB-CG1 4.21Å; A173-I175 PolarHBondContact O-N 2.7Å |
| 174 | K | 93.7 | Very high | 96.1 | Very high | 96 Ų | 96 | 67.6 Ų | 67.6 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 31.9 | 178.9 | -54.3 | -68.5 | 162 | -73.1 | 0 | 114 | C170 Y171 E172 M199 | C170-K174 PolarHBondContact O-N 3.29Å; C170-K174 VanDerWaalsContact O-N 3.12Å; Y171-K174 PolarHBondContact O-N 2.61Å; Y171-K174 PolarHBondContact O-NZ 3.48Å; E172-K174 PolarHBondContact O-N 3.21Å; E172-K174 VanDerWaalsContact O-N 3.14Å; E172-K174 PolarHBondContact O-NZ 3.26Å; K174-M199 HydrophobicContact CB-CE 3.77Å; K174-M199 HydrophobicContact CD-CE 4.06Å; K174-M199 VanDerWaalsContact O-CE 3.25Å; K174-M199 WeakPolarHBondContact O-CE 3.37Å |
| 175 | I | 94.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | trans | -115 | 160.6 | 173.5 | 60.8 | 161 | 0 | 0 | 0 | 111.4 | I143 R150 H152 C170 A173 N188 R195 | I143-I175 HydrophobicContact CD1-CD1 3.75Å; I143-I175 HydrophobicContact CD1-CG1 4.45Å; I143-I175 HydrophobicContact CG2-CD1 4.43Å; R150-I175 HydrophobicContact CB-CG2 3.93Å; R150-I175 WeakPolarHBondContact O-CB 3.5Å; R150-I175 VanDerWaalsContact O-CD1 3.29Å; R150-I175 WeakPolarHBondContact O-CD1 3.36Å; R150-I175 WeakPolarHBondContact O-CG2 3.45Å; H152-I175 HydrophobicContact CB-CD1 4.08Å; C170-I175 CarbonylContact C-O 3.46Å; C170-I175 HydrophobicContact CB-CG1 4.16Å; C170-I175 VanDerWaalsContact O-CG1 3.31Å; C170-I175 WeakPolarHBondContact O-CG1 2.99Å; C170-I175 PolarHBondContact O-N 3.04Å; C170-I175 VanDerWaalsContact O-O 3.06Å; A173-I175 VanDerWaalsContact C-N 3.27Å; A173-I175 HydrophobicContact CB-CG1 4.21Å; A173-I175 PolarHBondContact O-N 2.7Å; I175-N188 PolarHBondContact O-ND2 3.41Å; I175-N188 VanDerWaalsContact O-ND2 3.08Å; I175-R195 VanDerWaalsContact C-NH1 3.27Å; I175-R195 VanDerWaalsContact C-NH2 3.33Å; I175-R195 PolarHBondContact O-NH1 3.03Å | ||
| 176 | S | 95.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 66.2 Ų | 66.2 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | trans | -62.7 | 152.5 | 172.7 | -4.1 | 0 | 0 | 0 | 0 | 109.5 | E190 | S176-E190 WeakPolarHBondContact OG-CG 3.28Å; S176-E190 PolarHBondContact OG-OE1 3.49Å | ||
| 177 | C | 97.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 67.9 Ų | 67.9 | 12% | 0.122 | 34% | 0.338 | C | S | . | . | trans | -70.4 | 140.3 | 157.9 | -76.1 | 0 | 0 | 0 | 0 | 108.1 | C181 N188 | C177-C181 HydrophobicContact CB-CB 4.15Å; C177-N188 HydrophobicContact CB-CB 4.46Å; C177-N188 PolarHBondContact N-ND2 3.22Å; C177-N188 VanDerWaalsContact N-ND2 3.16Å; C177-N188 PolarHBondContact N-O 2.94Å; C177-N188 PolarHBondContact SG-ND2 3.23Å; C177-N188 VanDerWaalsContact SG-ND2 3.39Å | ||
| 178 | S | 95 | Very high | 96.3 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | trans | -108 | 177.9 | 176.8 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | L180 C181 | S178-L180 PolarHBondContact O-N 3.12Å; S178-L180 VanDerWaalsContact O-N 3.13Å; S178-L180 PolarHBondContact OG-N 3.43Å; S178-C181 VanDerWaalsContact O-CB 3.25Å; S178-C181 WeakPolarHBondContact O-CB 3.4Å; S178-C181 PolarHBondContact O-N 3.33Å | ||
| 179 | D | 95 | Very high | 96.2 | Very high | 135 Ų | 135 | 60.5 Ų | 60.5 | 72% | 0.722 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -25.2 | 168.2 | 58.6 | -46.6 | 0 | 0 | 0 | 114.5 | C181 | D179-C181 VanDerWaalsContact C-N 3.27Å; D179-C181 PolarHBondContact O-N 3.47Å |
| 180 | L | 95 | Very high | 96 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.6 | 174.1 | -56.5 | 178.2 | 0 | 0 | 0 | 113.4 | S178 | S178-L180 PolarHBondContact O-N 3.12Å; S178-L180 VanDerWaalsContact O-N 3.13Å; S178-L180 PolarHBondContact OG-N 3.43Å |
| 181 | C | 97.6 | Very high | 95.8 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | trans | -82 | 130.1 | -176.1 | -65 | 0 | 0 | 0 | 0 | 112.4 | G155 C156 C170 C177 S178 D179 | G155-C181 VanDerWaalsContact CA-SG 3.54Å; C156-C181 PolarHBondContact N-SG 3.22Å; C156-C181 CarbonylContact O-C 3.06Å; C170-C181 VanDerWaalsContact SG-SG 3.69Å; C177-C181 HydrophobicContact CB-CB 4.15Å; S178-C181 VanDerWaalsContact O-CB 3.25Å; S178-C181 WeakPolarHBondContact O-CB 3.4Å; S178-C181 PolarHBondContact O-N 3.33Å; D179-C181 VanDerWaalsContact C-N 3.27Å; D179-C181 PolarHBondContact O-N 3.47Å | ||
| 182 | R | 97.8 | Very high | 95.6 | Very high | 209 Ų | 209 | 68.3 Ų | 68.3 | 79% | 0.789 | 36% | 0.357 | S | S | * | . | trans | -101.6 | 39.6 | 175 | -56.6 | -178.8 | -178.5 | -170.4 | -1.8 | 111.7 | C156 | C156-R182 PolarHBondContact O-N 2.9Š| ||
| 183 | C | 98.4 | Very high | 95.4 | Very high | 26 Ų | 26 | 69 Ų | 69 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | trans | -84.6 | 144.8 | -178.3 | 47 | 0 | 0 | 0 | 0 | 112.5 | C158 C163 C186 | C158-C183 HydrophobicContact CB-CB 4.17Å; C158-C183 CarbonylContact O-C 3.37Å; C158-C183 VanDerWaalsContact O-CA 3.24Å; C158-C183 WeakPolarHBondContact O-CA 3.48Å; C158-C183 WeakPolarHBondContact O-CB 3.31Å; C163-C183 WeakPolarHBondContact SG-CB 3.48Å; C183-C186 VanDerWaalsContact SG-CB 3.58Å; C183-C186 VanDerWaalsContact SG-SG 3.67Å | ||
| 184 | Q | 98.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 71 Ų | 71 | 55% | 0.547 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -97.1 | 139.6 | 176.6 | -63 | 173.4 | -29 | 0 | 0 | 109.9 | C158 C186 | C158-Q184 PolarHBondContact O-N 3.4Å; Q184-C186 VanDerWaalsContact C-N 3.33Å; Q184-C186 PolarHBondContact O-N 3.13Å |
| 185 | G | 96.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 67.6 Ų | 67.6 | 66% | 0.66 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 58.1 | 40.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G162 R187 | G162-G185 WeakPolarHBondContact CA-O 2.84Å; G185-R187 PolarHBondContact O-N 3.45Å |
| 186 | C | 98.1 | Very high | 95.3 | Very high | 42 Ų | 42 | 72.9 Ų | 72.9 | 28% | 0.284 | 37% | 0.374 | S | S | . | . | trans | -68.5 | 121 | -175.5 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | C183 Q184 N188 | C183-C186 VanDerWaalsContact SG-CB 3.58Å; C183-C186 VanDerWaalsContact SG-SG 3.67Å; Q184-C186 VanDerWaalsContact C-N 3.33Å; Q184-C186 PolarHBondContact O-N 3.13Å; C186-N188 PolarHBondContact SG-N 3.15Å | ||
| 187 | R | 97.3 | Very high | 95.2 | Very high | 139 Ų | 139 | 75.9 Ų | 75.9 | 53% | 0.525 | 39% | 0.394 | S | S | . | . | trans | -109.1 | 9.8 | 170.6 | -53.4 | -171.1 | -174.2 | 178.4 | -2.2 | 112.6 | G162 L164 G185 T189 S192 E194 | G162-R187 PolarHBondContact O-N 3.01Å; L164-R187 HydrophobicContact CD1-CB 3.61Å; L164-R187 HydrophobicContact CG-CB 4Å; G185-R187 PolarHBondContact O-N 3.45Å; R187-T189 VanDerWaalsContact C-N 3.31Å; R187-T189 PolarHBondContact O-N 3.47Å; R187-S192 WeakPolarHBondContact O-CB 3.35Å; R187-S192 PolarHBondContact O-OG 3.28Å; R187-E194 WeakPolarHBondContact CD-OE2 3.25Å; R187-E194 IonicContact CZ-OE2 3.83Å; R187-E194 IonicContact NE-OE2 2.67Å; R187-E194 IonicContact NH1-OE1 3.26Å; R187-E194 PolarHBondContact NH1-OE1 3.35Å; R187-E194 IonicContact NH1-OE2 3.92Å; R187-E194 PolarHBondContact NH1-OE2 2.81Å | ||
| 188 | N | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | trans | -96.3 | 44.6 | -177.2 | -169.3 | 51.2 | 0 | 0 | 0 | 112.4 | C163 L164 I175 C177 C186 R195 | C163-N188 HydrophobicContact CB-CB 3.32Å; C163-N188 WeakPolarHBondContact O-CB 3Å; L164-N188 HydrophobicContact CD2-CB 4.1Å; I175-N188 PolarHBondContact O-ND2 3.41Å; I175-N188 VanDerWaalsContact O-ND2 3.08Å; C177-N188 HydrophobicContact CB-CB 4.46Å; C177-N188 PolarHBondContact N-ND2 3.22Å; C177-N188 VanDerWaalsContact N-ND2 3.16Å; C177-N188 PolarHBondContact N-O 2.94Å; C177-N188 PolarHBondContact SG-ND2 3.23Å; C177-N188 VanDerWaalsContact SG-ND2 3.39Å; C186-N188 PolarHBondContact SG-N 3.15Å; N188-R195 WeakPolarHBondContact OD1-CD 3.3Å; N188-R195 PolarHBondContact OD1-NH1 3.48Å | ||
| 189 | T | 95.5 | Very high | 94.7 | Very high | 46 Ų | 46 | 79.1 Ų | 79.1 | 28% | 0.282 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -99.2 | 164.8 | 178.9 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | R187 D191 S192 R195 | R187-T189 VanDerWaalsContact C-N 3.31Å; R187-T189 PolarHBondContact O-N 3.47Å; T189-D191 VanDerWaalsContact C-N 3.34Å; T189-D191 WeakPolarHBondContact CB-OD1 3.45Å; T189-D191 PolarHBondContact O-N 3.18Å; T189-D191 PolarHBondContact OG1-OD1 2.95Å; T189-S192 WeakPolarHBondContact O-CB 3.39Å; T189-S192 PolarHBondContact O-N 3.32Å; T189-R195 WeakPolarHBondContact O-CD 3.29Å |
| 190 | E | 91.6 | Very high | 94.5 | Very high | 117 Ų | 117 | 81.1 Ų | 81.1 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -73.1 | -28 | -171.5 | -54.2 | -161 | 141.4 | 0 | 0 | 114 | S176 R196 | S176-E190 WeakPolarHBondContact OG-CG 3.28Å; S176-E190 PolarHBondContact OG-OE1 3.49Å; E190-R196 PolarHBondContact O-NH2 3.42Å; E190-R196 VanDerWaalsContact O-NH2 3.13Å |
| 191 | D | 91.6 | Very high | 94.3 | Very high | 120 Ų | 120 | 83.3 Ų | 83.3 | 64% | 0.642 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76.6 | -21.5 | 174.9 | 61.8 | -49 | 0 | 0 | 0 | 113.4 | T189 V193 | T189-D191 VanDerWaalsContact C-N 3.34Å; T189-D191 WeakPolarHBondContact CB-OD1 3.45Å; T189-D191 PolarHBondContact O-N 3.18Å; T189-D191 PolarHBondContact OG1-OD1 2.95Å; D191-V193 PolarHBondContact O-N 3.23Å; D191-V193 VanDerWaalsContact O-N 3.12Å |
| 192 | S | 92.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 84.9 Ų | 84.9 | 12% | 0.119 | 43% | 0.431 | C | S | . | . | trans | -58.6 | 113.1 | -176.5 | 174.9 | 0 | 0 | 0 | 0 | 113.3 | R187 T189 E194 R195 R196 | R187-S192 WeakPolarHBondContact O-CB 3.35Å; R187-S192 PolarHBondContact O-OG 3.28Å; T189-S192 WeakPolarHBondContact O-CB 3.39Å; T189-S192 PolarHBondContact O-N 3.32Å; S192-E194 VanDerWaalsContact C-N 3.31Å; S192-E194 PolarHBondContact O-N 3.42Å; S192-R195 PolarHBondContact O-N 3.43Å; S192-R195 WeakPolarHBondContact OG-CB 3.47Å; S192-R195 PolarHBondContact OG-N 3.46Å; S192-R195 VanDerWaalsContact OG-N 3.13Å; S192-R196 WeakPolarHBondContact O-CB 3.46Å; S192-R196 PolarHBondContact O-N 3.29Å | ||
| 193 | V | 92.2 | Very high | 93.3 | Very high | 116 Ų | 116 | 77.6 Ų | 77.6 | 70% | 0.703 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | D191 R196 S197 | D191-V193 PolarHBondContact O-N 3.23Å; D191-V193 VanDerWaalsContact O-N 3.12Å; V193-R196 PolarHBondContact O-N 3.39Å; V193-S197 WeakPolarHBondContact O-CB 3.36Å; V193-S197 PolarHBondContact O-N 3.07Å |
| 194 | E | 93.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 81.9 Ų | 81.9 | 40% | 0.397 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 177.3 | -164.7 | -175.2 | 166.5 | 0 | 0 | 110.9 | L164 R187 S192 R196 S197 L198 | L164-E194 HydrophobicContact CD1-CB 3.94Å; L164-E194 HydrophobicContact CD1-CG 3.63Å; R187-E194 WeakPolarHBondContact CD-OE2 3.25Å; R187-E194 IonicContact CZ-OE2 3.83Å; R187-E194 IonicContact NE-OE2 2.67Å; R187-E194 IonicContact NH1-OE1 3.26Å; R187-E194 PolarHBondContact NH1-OE1 3.35Å; R187-E194 IonicContact NH1-OE2 3.92Å; R187-E194 PolarHBondContact NH1-OE2 2.81Å; S192-E194 VanDerWaalsContact C-N 3.31Å; S192-E194 PolarHBondContact O-N 3.42Å; E194-R196 PolarHBondContact O-N 3.21Å; E194-S197 PolarHBondContact O-N 3.25Å; E194-L198 HydrophobicContact CG-CD1 4.32Å; E194-L198 WeakPolarHBondContact O-CG 3.14Å; E194-L198 PolarHBondContact O-N 3.02Å |
| 195 | R | 94.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 78.1 Ų | 78.1 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.5 | -48.6 | 173.1 | -180 | -172.4 | 152.1 | 85.5 | -5.9 | 111.2 | L164 I175 N188 T189 S192 S197 L198 M199 | L164-R195 HydrophobicContact CD2-CB 3.73Å; L164-R195 HydrophobicContact CD2-CG 4.11Å; I175-R195 VanDerWaalsContact C-NH1 3.27Å; I175-R195 VanDerWaalsContact C-NH2 3.33Å; I175-R195 PolarHBondContact O-NH1 3.03Å; N188-R195 WeakPolarHBondContact OD1-CD 3.3Å; N188-R195 PolarHBondContact OD1-NH1 3.48Å; T189-R195 WeakPolarHBondContact O-CD 3.29Å; S192-R195 PolarHBondContact O-N 3.43Å; S192-R195 WeakPolarHBondContact OG-CB 3.47Å; S192-R195 PolarHBondContact OG-N 3.46Å; S192-R195 VanDerWaalsContact OG-N 3.13Å; R195-S197 VanDerWaalsContact C-N 3.34Å; R195-S197 PolarHBondContact O-N 3.44Å; R195-L198 PolarHBondContact O-N 3.2Å; R195-M199 HydrophobicContact CG-CG 4.26Å; R195-M199 HydrophobicContact CG-SD 3.79Å; R195-M199 WeakPolarHBondContact O-CB 3.48Å; R195-M199 VanDerWaalsContact O-CG 3.28Å; R195-M199 WeakPolarHBondContact O-CG 3.36Å; R195-M199 PolarHBondContact O-N 3.46Å |
| 196 | R | 92 | Very high | 91.7 | Very high | 125 Ų | 125 | 77.4 Ų | 77.4 | 47% | 0.472 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | -175.5 | -165.2 | 177.5 | -60 | -179.5 | 2.6 | 111.8 | E190 S192 V193 E194 R200 | E190-R196 PolarHBondContact O-NH2 3.42Å; E190-R196 VanDerWaalsContact O-NH2 3.13Å; S192-R196 WeakPolarHBondContact O-CB 3.46Å; S192-R196 PolarHBondContact O-N 3.29Å; V193-R196 PolarHBondContact O-N 3.39Å; E194-R196 PolarHBondContact O-N 3.21Å; R196-R200 WeakPolarHBondContact O-CB 3.45Å; R196-R200 VanDerWaalsContact O-CG 3.3Å; R196-R200 WeakPolarHBondContact O-CG 3.47Å; R196-R200 PolarHBondContact O-N 3.37Å; R196-R200 VanDerWaalsContact O-N 3.13Å |
| 197 | S | 92.8 | Very high | 90.7 | Very high | 77 Ų | 77 | 80.8 Ų | 80.8 | 54% | 0.538 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -52.7 | 174.5 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | V193 E194 R195 M199 R200 L201 | V193-S197 WeakPolarHBondContact O-CB 3.36Å; V193-S197 PolarHBondContact O-N 3.07Å; E194-S197 PolarHBondContact O-N 3.25Å; R195-S197 VanDerWaalsContact C-N 3.34Å; R195-S197 PolarHBondContact O-N 3.44Å; S197-M199 VanDerWaalsContact C-N 3.34Å; S197-M199 PolarHBondContact O-N 3.43Å; S197-R200 PolarHBondContact O-N 3.31Å; S197-R200 VanDerWaalsContact O-N 3.15Å; S197-L201 PolarHBondContact O-N 3.25Å |
| 198 | L | 92 | Very high | 89.8 | Confident | 60 Ų | 60 | 84 Ų | 84 | 31% | 0.314 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 179.9 | -69.7 | 171.3 | 0 | 0 | 0 | 112.9 | L164 E194 R195 L201 A202 | L164-L198 HydrophobicContact CB-CD1 4.08Å; L164-L198 HydrophobicContact CD1-CD1 4.18Å; E194-L198 HydrophobicContact CG-CD1 4.32Å; E194-L198 WeakPolarHBondContact O-CG 3.14Å; E194-L198 PolarHBondContact O-N 3.02Å; R195-L198 PolarHBondContact O-N 3.2Å; L198-L201 PolarHBondContact O-N 2.95Å; L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 3.27Å |
| 199 | M | 89.3 | Confident | 88.5 | Confident | 46 Ų | 46 | 88.6 Ų | 88.6 | 23% | 0.227 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 176 | -72.9 | -176.7 | 118.2 | 0 | 0 | 112.5 | K174 R195 S197 A203 | K174-M199 HydrophobicContact CB-CE 3.77Å; K174-M199 HydrophobicContact CD-CE 4.06Å; K174-M199 VanDerWaalsContact O-CE 3.25Å; K174-M199 WeakPolarHBondContact O-CE 3.37Å; R195-M199 HydrophobicContact CG-CG 4.26Å; R195-M199 HydrophobicContact CG-SD 3.79Å; R195-M199 WeakPolarHBondContact O-CB 3.48Å; R195-M199 VanDerWaalsContact O-CG 3.28Å; R195-M199 WeakPolarHBondContact O-CG 3.36Å; R195-M199 PolarHBondContact O-N 3.46Å; S197-M199 VanDerWaalsContact C-N 3.34Å; S197-M199 PolarHBondContact O-N 3.43Å; M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.12Å |
| 200 | R | 90.8 | Very high | 87.2 | Confident | 177 Ų | 177 | 96.5 Ų | 96.5 | 67% | 0.668 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 174.1 | -77.2 | 173.9 | 174.4 | -175.2 | -3.3 | 111.1 | R196 S197 A202 A203 M204 | R196-R200 WeakPolarHBondContact O-CB 3.45Å; R196-R200 VanDerWaalsContact O-CG 3.3Å; R196-R200 WeakPolarHBondContact O-CG 3.47Å; R196-R200 PolarHBondContact O-N 3.37Å; R196-R200 VanDerWaalsContact O-N 3.13Å; S197-R200 PolarHBondContact O-N 3.31Å; S197-R200 VanDerWaalsContact O-N 3.15Å; R200-A202 VanDerWaalsContact C-N 3.34Å; R200-A202 PolarHBondContact O-N 3.46Å; R200-A203 PolarHBondContact O-N 3.13Å; R200-M204 WeakPolarHBondContact O-CG 3.25Å; R200-M204 PolarHBondContact O-N 3.15Å |
| 201 | L | 90.8 | Very high | 85.8 | Confident | 123 Ų | 123 | 97.8 Ų | 97.8 | 64% | 0.644 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 178.1 | -174.4 | 60.6 | 0 | 0 | 0 | 111.9 | S197 L198 A203 M204 G205 | S197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 2.95Å; L201-A203 PolarHBondContact O-N 3.42Å; L201-M204 PolarHBondContact O-N 2.95Å; L201-G205 PolarHBondContact O-N 3.21Å |
| 202 | A | 87.3 | Confident | 84.4 | Confident | 52 Ų | 52 | 96 Ų | 96 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L198 R200 G205 A206 | L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 3.27Å; R200-A202 VanDerWaalsContact C-N 3.34Å; R200-A202 PolarHBondContact O-N 3.46Å; A202-G205 PolarHBondContact O-N 3.19Å; A202-A206 PolarHBondContact O-N 3.44Å; A202-A206 VanDerWaalsContact O-N 3.12Å |
| 203 | A | 88.4 | Confident | 82.9 | Confident | 56 Ų | 56 | 100.1 Ų | 100.1 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | M199 R200 L201 G205 A206 L207 | M199-A203 WeakPolarHBondContact O-CB 3.47Å; M199-A203 PolarHBondContact O-N 3.12Å; R200-A203 PolarHBondContact O-N 3.13Å; L201-A203 PolarHBondContact O-N 3.42Å; A203-G205 PolarHBondContact O-N 2.92Å; A203-A206 PolarHBondContact O-N 2.97Å; A203-L207 PolarHBondContact O-N 2.92Å |
| 204 | M | 88.7 | Confident | 81.3 | Confident | 116 Ų | 116 | 99.5 Ų | 99.5 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 176 | -66.5 | -61.3 | -75.2 | 0 | 0 | 112.1 | R200 L201 A206 L207 R208 | R200-M204 WeakPolarHBondContact O-CG 3.25Å; R200-M204 PolarHBondContact O-N 3.15Å; L201-M204 PolarHBondContact O-N 2.95Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.71Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.4Å; M204-R208 PolarHBondContact O-N 3.27Å |
| 205 | G | 87 | Confident | 79.5 | Confident | 38 Ų | 38 | 104 Ų | 104 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L201 A202 A203 L207 R208 S209 | L201-G205 PolarHBondContact O-N 3.21Å; A202-G205 PolarHBondContact O-N 3.19Å; A203-G205 PolarHBondContact O-N 2.92Å; G205-L207 VanDerWaalsContact C-N 3.31Å; G205-L207 PolarHBondContact O-N 2.85Å; G205-R208 PolarHBondContact O-N 2.8Å; G205-S209 PolarHBondContact O-N 3.08Å |
| 206 | A | 82.3 | Confident | 77.7 | Confident | 50 Ų | 50 | 111.2 Ų | 111.2 | 41% | 0.413 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.1 | -23 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A202 A203 M204 S209 R210 | A202-A206 PolarHBondContact O-N 3.44Å; A202-A206 VanDerWaalsContact O-N 3.12Å; A203-A206 PolarHBondContact O-N 2.97Å; M204-A206 VanDerWaalsContact C-N 3.34Å; M204-A206 PolarHBondContact O-N 2.71Å; A206-S209 PolarHBondContact O-OG 3.16Å; A206-R210 WeakPolarHBondContact O-CG 3.31Å |
| 207 | L | 77.9 | Confident | 75.9 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 59% | 0.586 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.4 | -41.3 | 171.2 | -67.6 | 172.4 | 0 | 0 | 0 | 111.3 | A203 M204 G205 S209 R210 | A203-L207 PolarHBondContact O-N 2.92Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.4Å; G205-L207 VanDerWaalsContact C-N 3.31Å; G205-L207 PolarHBondContact O-N 2.85Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 2.74Å; L207-R210 PolarHBondContact O-N 3.13Å |
| 208 | R | 77.7 | Confident | 73.9 | Confident | 206 Ų | 206 | 119.7 Ų | 119.7 | 78% | 0.777 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.7 | -38.5 | 177.5 | -71.8 | -177.3 | 174.2 | -172.4 | -1.6 | 112.7 | M204 G205 R210 Q211 | M204-R208 PolarHBondContact O-N 3.27Å; G205-R208 PolarHBondContact O-N 2.8Å; R208-R210 VanDerWaalsContact C-N 3.27Å; R208-R210 PolarHBondContact O-N 3.37Å; R208-Q211 PolarHBondContact O-N 3.28Å |
| 209 | S | 71.6 | Confident | 72 | Confident | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -12.9 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | G205 A206 L207 | G205-S209 PolarHBondContact O-N 3.08Å; A206-S209 PolarHBondContact O-OG 3.16Å; L207-S209 VanDerWaalsContact C-N 3.34Å; L207-S209 PolarHBondContact O-N 2.74Å |
| 210 | R | 67.8 | Low | 70.1 | Confident | 212 Ų | 212 | 127.4 Ų | 127.4 | 80% | 0.8 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -8.4 | 176.5 | -76.9 | 177.5 | 168.1 | -112.1 | -1.8 | 114.1 | A206 L207 R208 | A206-R210 WeakPolarHBondContact O-CG 3.31Å; L207-R210 PolarHBondContact O-N 3.13Å; R208-R210 VanDerWaalsContact C-N 3.27Å; R208-R210 PolarHBondContact O-N 3.37Å |
| 211 | Q | 61.8 | Low | 67.9 | Low | 143 Ų | 143 | 127.8 Ų | 127.8 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -65.9 | 128.7 | 173.4 | -74.2 | -67.9 | -12.2 | 0 | 0 | 109.8 | R208 S213 | R208-Q211 PolarHBondContact O-N 3.28Å; Q211-S213 PolarHBondContact O-N 3.33Å |
| 212 | P | 62.3 | Low | 65.8 | Low | 84 Ų | 84 | 127.1 Ų | 127.1 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | trans | -61.9 | 135.5 | -179.6 | 25 | -33.2 | 0 | 0 | 0 | 110.5 | S214 | P212-S214 PolarHBondContact O-N 3.06Š| ||
| 213 | S | 60.5 | Low | 63.6 | Low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -61.6 | -11 | -176.5 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | Q211 F215 K216 | Q211-S213 PolarHBondContact O-N 3.33Å; S213-F215 VanDerWaalsContact C-N 3.26Å; S213-F215 PolarHBondContact O-N 3.12Å; S213-K216 PolarHBondContact O-N 2.92Å |
| 214 | S | 58.2 | Low | 61.8 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -64.9 | -18 | -178.4 | -52.9 | 0 | 0 | 0 | 0 | 115.3 | P212 K216 | P212-S214 PolarHBondContact O-N 3.06Å; S214-K216 VanDerWaalsContact C-N 3.35Å |
| 215 | F | 55.9 | Low | 59.9 | Low | 180 Ų | 180 | 135.3 Ų | 135.3 | 79% | 0.789 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -81.8 | -6.8 | 176.3 | -108.5 | -87.9 | 0 | 0 | 0 | 114.6 | S213 K217 | S213-F215 VanDerWaalsContact C-N 3.26Å; S213-F215 PolarHBondContact O-N 3.12Å; F215-K217 PolarHBondContact O-N 3.14Å; F215-K217 VanDerWaalsContact O-N 3.12Å |
| 216 | K | 57.5 | Low | 58.1 | Low | 174 Ų | 174 | 137.5 Ų | 137.5 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -73.1 | 2.4 | -175.3 | -96.6 | -179.2 | 170.7 | -177.9 | 0 | 116.3 | S213 S214 | S213-K216 PolarHBondContact O-N 2.92Å; S214-K216 VanDerWaalsContact C-N 3.35Å |
| 217 | K | 54.4 | Low | 56.7 | Low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -99.2 | -4.6 | -175.3 | -66.8 | -171.2 | 177.9 | -175.8 | 0 | 115.7 | F215 | F215-K217 PolarHBondContact O-N 3.14Å; F215-K217 VanDerWaalsContact O-N 3.12Å |
| 218 | H | 50.4 | Low | 55.7 | Low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -128.2 | 3.5 | 171.4 | -92.9 | -73.4 | 0 | 0 | 0 | 114.2 | V220 | H218-V220 PolarHBondContact O-N 3.39Š|
| 219 | L | 50.7 | Low | 54.9 | Low | 146 Ų | 146 | 136.6 Ų | 136.6 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | trans | -82.4 | 99.1 | 170.3 | -165.8 | 64.2 | 0 | 0 | 0 | 108.7 | ||||
| 220 | V | 50.7 | Low | 54.7 | Low | 122 Ų | 122 | 134 Ų | 134 | 74% | 0.739 | 70% | 0.697 | S | S | * | * | trans | -47.6 | 142.6 | 167.2 | 176.2 | 0 | 0 | 0 | 0 | 109 | H218 | H218-V220 PolarHBondContact O-N 3.39Š| ||
| 221 | K | 44.9 | Very low | 54.9 | Low | 186 Ų | 186 | 125.4 Ų | 125.4 | 81% | 0.809 | 67% | 0.666 | S | S | * | * | trans | -36.8 | 121.6 | 173.6 | -170.8 | -178.9 | -175.9 | -173.4 | 0 | 109 | ||||
| 222 | P | 45 | Very low | 55.9 | Low | 109 Ų | 109 | 123.6 Ų | 123.6 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131 | -179.5 | 24.8 | -32.8 | 0 | 0 | 0 | 107.7 | ||
| 223 | P | 42.4 | Very low | 56.9 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 60% | 0.597 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 155.9 | 169 | 26.3 | -32.8 | 0 | 0 | 0 | 108.9 | ||
| 224 | S | 50.3 | Low | 58.2 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -50.7 | 155 | 173 | 38.5 | 0 | 0 | 0 | 0 | 111.3 | T226 | S224-T226 VanDerWaalsContact C-N 3.27Å; S224-T226 PolarHBondContact O-N 3.11Å |
| 225 | E | 48.3 | Very low | 59.6 | Low | 193 Ų | 193 | 124.4 Ų | 124.4 | 90% | 0.902 | 62% | 0.624 | S | S | * | * | trans | -52.5 | 66.1 | -159.7 | -54.9 | -171.8 | 132.7 | 0 | 0 | 117 | L227 | E225-L227 PolarHBondContact O-N 2.76Å; E225-L227 VanDerWaalsContact O-N 3.07Å | ||
| 226 | T | 48.9 | Very low | 61.2 | Low | 85 Ų | 85 | 115.9 Ų | 115.9 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | trans | -76.5 | 96 | 161.9 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | S224 | S224-T226 VanDerWaalsContact C-N 3.27Å; S224-T226 PolarHBondContact O-N 3.11Å | ||
| 227 | L | 53.1 | Low | 62.8 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | trans | -47.5 | 125.7 | -175.9 | -85 | 154.2 | 0 | 0 | 0 | 111.7 | E225 H229 V230 | E225-L227 PolarHBondContact O-N 2.76Å; E225-L227 VanDerWaalsContact O-N 3.07Å; L227-H229 PolarHBondContact O-N 2.9Å; L227-V230 HydrophobicContact CB-CG2 4.07Å; L227-V230 WeakPolarHBondContact O-CG2 3.47Å; L227-V230 PolarHBondContact O-N 3.04Å | ||
| 228 | P | 57.9 | Low | 64.5 | Low | 100 Ų | 100 | 106.7 Ų | 106.7 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -3.9 | 174.4 | -25.6 | 34.8 | 0 | 0 | 0 | 115.1 | ||
| 229 | H | 60.2 | Low | 66.4 | Low | 142 Ų | 142 | 98.8 Ų | 98.8 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -16.2 | 178.1 | -66.2 | -61.2 | 0 | 0 | 0 | 113.9 | L227 F231 F232 | L227-H229 PolarHBondContact O-N 2.9Å; H229-F231 VanDerWaalsContact C-N 3.3Å; H229-F231 PolarHBondContact O-N 3.37Å; H229-F232 PolarHBondContact O-N 2.79Å |
| 230 | V | 67.8 | Low | 68.4 | Low | 42 Ų | 42 | 92.9 Ų | 92.9 | 26% | 0.255 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -41.1 | -177.3 | 167.5 | 0 | 0 | 0 | 0 | 112.4 | L227 F232 T233 L337 | L227-V230 HydrophobicContact CB-CG2 4.07Å; L227-V230 WeakPolarHBondContact O-CG2 3.47Å; L227-V230 PolarHBondContact O-N 3.04Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 2.98Å; V230-T233 VanDerWaalsContact O-CG2 3.28Å; V230-T233 WeakPolarHBondContact O-CG2 3.33Å; V230-L337 HydrophobicContact CB-CD1 4.39Å; V230-L337 HydrophobicContact CG1-CD1 3.43Å; V230-L337 VanDerWaalsContact CG1-CD1 3.43Å; V230-L337 HydrophobicContact CG2-CD1 4.13Å |
| 231 | F | 72.7 | Confident | 70.5 | Confident | 33 Ų | 33 | 89.1 Ų | 89.1 | 15% | 0.145 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.5 | -179.2 | -59.2 | -73.2 | 0 | 0 | 0 | 114.4 | H229 V276 A280 A283 | H229-F231 VanDerWaalsContact C-N 3.3Å; H229-F231 PolarHBondContact O-N 3.37Å; F231-V276 HydrophobicContact CB-CG1 4.1Å; F231-A280 HydrophobicContact CD1-CB 3.93Å; F231-A280 HydrophobicContact CD2-CB 3.56Å; F231-A280 HydrophobicContact CE1-CB 3.95Å; F231-A280 HydrophobicContact CE2-CB 3.57Å; F231-A280 HydrophobicContact CG-CB 3.75Å; F231-A280 HydrophobicContact CZ-CB 3.78Å; F231-A283 HydrophobicContact CE1-CB 4.02Å; F231-A283 HydrophobicContact CZ-CB 3.94Å |
| 232 | F | 81.3 | Confident | 72.8 | Confident | 104 Ų | 104 | 83.6 Ų | 83.6 | 46% | 0.456 | 46% | 0.456 | S | S | . | . | trans | -106.3 | 52.2 | 176.7 | -73.6 | -80.1 | 0 | 0 | 0 | 110.6 | H229 V230 | H229-F232 PolarHBondContact O-N 2.79Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 2.98Å | ||
| 233 | T | 84.6 | Confident | 75.1 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | trans | -67 | 164.4 | 171.9 | 78.7 | 0 | 0 | 0 | 0 | 111 | V230 E235 V236 I237 A333 | V230-T233 VanDerWaalsContact O-CG2 3.28Å; V230-T233 WeakPolarHBondContact O-CG2 3.33Å; T233-E235 WeakPolarHBondContact CB-OE2 3.5Å; T233-E235 PolarHBondContact O-N 3.12Å; T233-E235 PolarHBondContact OG1-OE2 3.46Å; T233-V236 PolarHBondContact O-N 3.46Å; T233-V236 PolarHBondContact OG1-N 2.98Å; T233-I237 WeakPolarHBondContact O-CG1 3.1Å; T233-I237 PolarHBondContact O-N 3.46Å; T233-A333 HydrophobicContact CG2-CB 3.5Å | ||
| 234 | W | 87.3 | Confident | 77.6 | Confident | 170 Ų | 170 | 77 Ų | 77 | 64% | 0.644 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.2 | -39.5 | 178.8 | -177.5 | -101.5 | 0 | 0 | 0 | 111.6 | V236 I237 E238 | W234-V236 PolarHBondContact O-N 3.26Å; W234-I237 PolarHBondContact O-N 3.3Å; W234-E238 HydrophobicContact CD2-CG 4.49Å; W234-E238 HydrophobicContact CZ2-CG 4.26Å; W234-E238 PolarHBondContact NE1-OE1 3.37Å; W234-E238 WeakPolarHBondContact O-CB 3.22Å; W234-E238 WeakPolarHBondContact O-CG 3.28Å; W234-E238 PolarHBondContact O-N 3.31Å |
| 235 | E | 87.5 | Confident | 79.8 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 179.4 | -54.2 | 71.4 | -155.2 | 0 | 0 | 111.9 | T233 A239 A329 | T233-E235 WeakPolarHBondContact CB-OE2 3.5Å; T233-E235 PolarHBondContact O-N 3.12Å; T233-E235 PolarHBondContact OG1-OE2 3.46Å; E235-A239 VanDerWaalsContact O-CB 3.23Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.28Å; E235-A329 HydrophobicContact CB-CB 4.04Å |
| 236 | V | 89 | Confident | 82 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | T233 W234 T240 V276 A329 A330 | T233-V236 PolarHBondContact O-N 3.46Å; T233-V236 PolarHBondContact OG1-N 2.98Å; W234-V236 PolarHBondContact O-N 3.26Å; V236-T240 VanDerWaalsContact O-CB 3.31Å; V236-T240 WeakPolarHBondContact O-CB 3.34Å; V236-T240 PolarHBondContact O-N 3.29Å; V236-T240 PolarHBondContact O-OG1 3.4Å; V236-V276 HydrophobicContact CG1-CG2 3.76Å; V236-A329 HydrophobicContact CG2-CB 4.21Å; V236-A330 HydrophobicContact CG2-CB 4.14Å |
| 237 | I | 90.4 | Very high | 84.1 | Confident | 78 Ų | 78 | 69 Ų | 69 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 176.2 | -66 | 166.3 | 0 | 0 | 0 | 110.8 | T233 W234 T240 A241 | T233-I237 WeakPolarHBondContact O-CG1 3.1Å; T233-I237 PolarHBondContact O-N 3.46Å; W234-I237 PolarHBondContact O-N 3.3Å; I237-T240 PolarHBondContact O-N 3.2Å; I237-A241 WeakPolarHBondContact O-CB 3.39Å; I237-A241 PolarHBondContact O-N 3.34Å |
| 238 | E | 91.3 | Very high | 86 | Confident | 96 Ų | 96 | 65.4 Ų | 65.4 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.2 | -78.1 | -171.6 | 151.1 | 0 | 0 | 112.1 | W234 A241 S242 | W234-E238 HydrophobicContact CD2-CG 4.49Å; W234-E238 HydrophobicContact CZ2-CG 4.26Å; W234-E238 PolarHBondContact NE1-OE1 3.37Å; W234-E238 WeakPolarHBondContact O-CB 3.22Å; W234-E238 WeakPolarHBondContact O-CG 3.28Å; W234-E238 PolarHBondContact O-N 3.31Å; E238-A241 PolarHBondContact O-N 2.68Å; E238-S242 WeakPolarHBondContact O-CB 3.45Å; E238-S242 PolarHBondContact O-N 3.16Å; E238-S242 PolarHBondContact O-OG 3.15Å |
| 239 | A | 89.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E235 S242 C243 V326 | E235-A239 VanDerWaalsContact O-CB 3.23Å; E235-A239 WeakPolarHBondContact O-CB 3.39Å; E235-A239 PolarHBondContact O-N 3.28Å; A239-S242 PolarHBondContact O-N 3.32Å; A239-C243 PolarHBondContact O-N 2.83Å; A239-C243 PolarHBondContact O-SG 3.49Å; A239-V326 HydrophobicContact CB-CB 4.42Å; A239-V326 HydrophobicContact CB-CG2 3.68Å |
| 240 | T | 92.3 | Very high | 89.3 | Confident | 22 Ų | 22 | 60.6 Ų | 60.6 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | V236 I237 S242 C243 L244 F269 T272 | V236-T240 VanDerWaalsContact O-CB 3.31Å; V236-T240 WeakPolarHBondContact O-CB 3.34Å; V236-T240 PolarHBondContact O-N 3.29Å; V236-T240 PolarHBondContact O-OG1 3.4Å; I237-T240 PolarHBondContact O-N 3.2Å; T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 PolarHBondContact O-N 3.05Å; T240-C243 PolarHBondContact O-N 3.25Å; T240-L244 HydrophobicContact CG2-CD1 4.41Å; T240-L244 WeakPolarHBondContact O-CG 3.29Å; T240-L244 PolarHBondContact O-N 3.48Å; T240-L244 VanDerWaalsContact O-N 3.08Å; T240-F269 HydrophobicContact CG2-CD2 4.3Å; T240-F269 HydrophobicContact CG2-CE2 4.34Å; T240-T272 HydrophobicContact CG2-CG2 3.81Å; T240-T272 WeakPolarHBondContact OG1-CG2 3.35Å |
| 241 | A | 94.9 | Very high | 90.5 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I237 E238 L244 L245 | I237-A241 WeakPolarHBondContact O-CB 3.39Å; I237-A241 PolarHBondContact O-N 3.34Å; E238-A241 PolarHBondContact O-N 2.68Å; A241-L244 PolarHBondContact O-N 3.38Å; A241-L245 WeakPolarHBondContact O-CG 3.46Å; A241-L245 PolarHBondContact O-N 3.33Å |
| 242 | S | 94 | Very high | 91.4 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | E238 A239 T240 A246 | E238-S242 WeakPolarHBondContact O-CB 3.45Å; E238-S242 PolarHBondContact O-N 3.16Å; E238-S242 PolarHBondContact O-OG 3.15Å; A239-S242 PolarHBondContact O-N 3.32Å; T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 PolarHBondContact O-N 3.05Å; S242-A246 WeakPolarHBondContact O-CB 3.43Å; S242-A246 PolarHBondContact O-N 3.22Å |
| 243 | C | 92.7 | Very high | 92.1 | Very high | 16 Ų | 16 | 66.1 Ų | 66.1 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 173.5 | -75.4 | 0 | 0 | 0 | 0 | 112.2 | A239 T240 Q247 E268 | A239-C243 PolarHBondContact O-N 2.83Å; A239-C243 PolarHBondContact O-SG 3.49Å; T240-C243 PolarHBondContact O-N 3.25Å; C243-Q247 WeakPolarHBondContact O-CG 3.43Å; C243-Q247 PolarHBondContact O-N 2.95Å; C243-E268 HydrophobicContact CB-CG 4.25Å |
| 244 | L | 95.6 | Very high | 92.5 | Very high | 45 Ų | 45 | 71.9 Ų | 71.9 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 178.1 | -64 | 176.7 | 0 | 0 | 0 | 112.4 | T240 A241 Q247 A248 L265 E268 F269 | T240-L244 HydrophobicContact CG2-CD1 4.41Å; T240-L244 WeakPolarHBondContact O-CG 3.29Å; T240-L244 PolarHBondContact O-N 3.48Å; T240-L244 VanDerWaalsContact O-N 3.08Å; A241-L244 PolarHBondContact O-N 3.38Å; L244-Q247 PolarHBondContact O-N 3.07Å; L244-A248 PolarHBondContact O-N 3.23Å; L244-L265 WeakPolarHBondContact CD2-O 3.5Å; L244-L265 WeakPolarHBondContact O-CD2 3.39Å; L244-E268 HydrophobicContact CD2-CB 4.29Å; L244-F269 HydrophobicContact CD1-CD2 4.08Å; L244-F269 HydrophobicContact CD2-CB 3.87Å |
| 245 | L | 95.2 | Very high | 92.8 | Very high | 109 Ų | 109 | 71 Ų | 71 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 176.6 | -71 | 170.3 | 0 | 0 | 0 | 111.5 | A241 Q247 A248 D249 | A241-L245 WeakPolarHBondContact O-CG 3.46Å; A241-L245 PolarHBondContact O-N 3.33Å; L245-Q247 VanDerWaalsContact C-N 3.26Å; L245-Q247 PolarHBondContact O-N 3.47Å; L245-A248 WeakPolarHBondContact O-CB 3.03Å; L245-A248 PolarHBondContact O-N 3.11Å; L245-A248 VanDerWaalsContact O-N 3.08Å; L245-D249 PolarHBondContact O-N 2.83Å |
| 246 | A | 94.6 | Very high | 93 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S242 E250 | S242-A246 WeakPolarHBondContact O-CB 3.43Å; S242-A246 PolarHBondContact O-N 3.22Å; A246-E250 WeakPolarHBondContact O-CB 3.47Å; A246-E250 PolarHBondContact O-N 3.26Å |
| 247 | Q | 93.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 72 Ų | 72 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.5 | -33.9 | 173.4 | -68.3 | -72.4 | 13.9 | 0 | 0 | 112.5 | C243 L244 L245 E250 A251 I264 L265 E268 | C243-Q247 WeakPolarHBondContact O-CG 3.43Å; C243-Q247 PolarHBondContact O-N 2.95Å; L244-Q247 PolarHBondContact O-N 3.07Å; L245-Q247 VanDerWaalsContact C-N 3.26Å; L245-Q247 PolarHBondContact O-N 3.47Å; Q247-E250 PolarHBondContact O-N 3.4Å; Q247-A251 VanDerWaalsContact O-CB 3.25Å; Q247-A251 WeakPolarHBondContact O-CB 3.16Å; Q247-A251 PolarHBondContact O-N 3.31Å; Q247-I264 HydrophobicContact CB-CG2 4.17Å; Q247-L265 HydrophobicContact CB-CD2 4.05Å; Q247-E268 HydrophobicContact CG-CB 3.83Å; Q247-E268 HydrophobicContact CG-CG 3.77Å; Q247-E268 PolarHBondContact NE2-OE2 3.48Å |
| 248 | A | 93.9 | Very high | 93.4 | Very high | 33 Ų | 33 | 73.1 Ų | 73.1 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.6 | -51.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L244 L245 E250 A251 E252 L265 | L244-A248 PolarHBondContact O-N 3.23Å; L245-A248 WeakPolarHBondContact O-CB 3.03Å; L245-A248 PolarHBondContact O-N 3.11Å; L245-A248 VanDerWaalsContact O-N 3.08Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 3.22Å; A248-A251 PolarHBondContact O-N 2.99Å; A248-A251 VanDerWaalsContact O-N 3.11Å; A248-E252 WeakPolarHBondContact O-CB 3.42Å; A248-E252 PolarHBondContact O-N 3.33Å; A248-L265 HydrophobicContact CB-CD2 4.05Å |
| 249 | D | 94 | Very high | 93.5 | Very high | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -35.9 | 178.5 | -66.7 | -4.6 | 0 | 0 | 0 | 112.5 | L245 R253 | L245-D249 PolarHBondContact O-N 2.83Å; D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.29Å; D249-R253 PolarHBondContact O-N 3.12Å; D249-R253 PolarHBondContact O-NE 3.14Å |
| 250 | E | 93.3 | Very high | 93.6 | Very high | 53 Ų | 53 | 72.5 Ų | 72.5 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.9 | -36.8 | 174.7 | -178.4 | 68.5 | -139 | 0 | 0 | 112.4 | A246 Q247 A248 R253 R254 | A246-E250 WeakPolarHBondContact O-CB 3.47Å; A246-E250 PolarHBondContact O-N 3.26Å; Q247-E250 PolarHBondContact O-N 3.4Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 3.22Å; E250-R253 VanDerWaalsContact CD-NH1 3.27Å; E250-R253 IonicContact OE1-NH1 3.41Å; E250-R253 PolarHBondContact OE1-NH1 2.97Å; E250-R253 IonicContact OE2-CZ 3.19Å; E250-R253 IonicContact OE2-NH1 2.83Å; E250-R253 PolarHBondContact OE2-NH1 2.86Å; E250-R253 IonicContact OE2-NH2 2.67Å; E250-R253 PolarHBondContact OE2-NH2 3.06Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.46Å; E250-R254 PolarHBondContact O-N 3.15Å; E250-R254 IonicContact OE1-CZ 2.73Å; E250-R254 IonicContact OE1-NE 3.4Å; E250-R254 PolarHBondContact OE1-NE 2.8Å; E250-R254 IonicContact OE1-NH2 3.29Å; E250-R254 PolarHBondContact OE1-NH2 3.49Å |
| 251 | A | 93.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.2 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q247 A248 R254 L256 Q261 I264 | Q247-A251 VanDerWaalsContact O-CB 3.25Å; Q247-A251 WeakPolarHBondContact O-CB 3.16Å; Q247-A251 PolarHBondContact O-N 3.31Å; A248-A251 PolarHBondContact O-N 2.99Å; A248-A251 VanDerWaalsContact O-N 3.11Å; A251-R254 PolarHBondContact O-N 2.92Å; A251-L256 HydrophobicContact CB-CD1 4.14Å; A251-L256 PolarHBondContact O-N 2.97Å; A251-Q261 HydrophobicContact CB-CB 4.3Å; A251-Q261 HydrophobicContact CB-CG 4.08Å; A251-I264 HydrophobicContact CB-CD1 4.4Å |
| 252 | E | 91.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 78.4 Ų | 78.4 | 62% | 0.621 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.4 | -48 | 172.2 | -174 | 173.1 | -154.6 | 0 | 0 | 111 | A248 R254 D255 | A248-E252 WeakPolarHBondContact O-CB 3.42Å; A248-E252 PolarHBondContact O-N 3.33Å; E252-R254 PolarHBondContact O-N 3.39Å; E252-D255 PolarHBondContact O-N 3.09Å |
| 253 | R | 94.7 | Very high | 93.6 | Very high | 160 Ų | 160 | 82.9 Ų | 82.9 | 60% | 0.604 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -12.1 | 174.7 | -82 | -171.5 | -69.4 | 100.4 | -5.1 | 115.3 | D249 E250 | D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.29Å; D249-R253 PolarHBondContact O-N 3.12Å; D249-R253 PolarHBondContact O-NE 3.14Å; E250-R253 VanDerWaalsContact CD-NH1 3.27Å; E250-R253 IonicContact OE1-NH1 3.41Å; E250-R253 PolarHBondContact OE1-NH1 2.97Å; E250-R253 IonicContact OE2-CZ 3.19Å; E250-R253 IonicContact OE2-NH1 2.83Å; E250-R253 PolarHBondContact OE2-NH1 2.86Å; E250-R253 IonicContact OE2-NH2 2.67Å; E250-R253 PolarHBondContact OE2-NH2 3.06Å |
| 254 | R | 94.2 | Very high | 93.7 | Very high | 153 Ų | 153 | 84.1 Ų | 84.1 | 58% | 0.577 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 3.3 | 175.1 | -73.3 | 177.3 | -169.9 | -168 | 7 | 113.1 | E250 A251 E252 L256 | E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.46Å; E250-R254 PolarHBondContact O-N 3.15Å; E250-R254 IonicContact OE1-CZ 2.73Å; E250-R254 IonicContact OE1-NE 3.4Å; E250-R254 PolarHBondContact OE1-NE 2.8Å; E250-R254 IonicContact OE1-NH2 3.29Å; E250-R254 PolarHBondContact OE1-NH2 3.49Å; A251-R254 PolarHBondContact O-N 2.92Å; E252-R254 PolarHBondContact O-N 3.39Å; R254-L256 HydrophobicContact CB-CD1 4.17Å; R254-L256 HydrophobicContact CB-CD2 4.14Å; R254-L256 HydrophobicContact CB-CG 3.7Å; R254-L256 PolarHBondContact O-N 2.91Å; R254-L256 VanDerWaalsContact O-N 3.15Å |
| 255 | D | 92.9 | Very high | 93.7 | Very high | 152 Ų | 152 | 84.5 Ų | 84.5 | 81% | 0.813 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 38.5 | -176 | -70.8 | -57.5 | 0 | 0 | 0 | 112.8 | E252 | E252-D255 PolarHBondContact O-N 3.09Š|
| 256 | L | 92.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 84.4 Ų | 84.4 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | trans | -70.7 | 144.8 | -176.8 | -65.3 | 179.5 | 0 | 0 | 0 | 111.1 | A251 R254 A260 Q261 I264 | A251-L256 HydrophobicContact CB-CD1 4.14Å; A251-L256 PolarHBondContact O-N 2.97Å; R254-L256 HydrophobicContact CB-CD1 4.17Å; R254-L256 HydrophobicContact CB-CD2 4.14Å; R254-L256 HydrophobicContact CB-CG 3.7Å; R254-L256 PolarHBondContact O-N 2.91Å; R254-L256 VanDerWaalsContact O-N 3.15Å; L256-A260 HydrophobicContact CB-CB 4.25Å; L256-Q261 HydrophobicContact CB-CG 4.01Å; L256-Q261 PolarHBondContact O-NE2 2.89Å; L256-I264 HydrophobicContact CD1-CD1 3.38Å | ||
| 257 | P | 93.6 | Very high | 93.6 | Very high | 82 Ų | 82 | 85.6 Ų | 85.6 | 53% | 0.532 | 43% | 0.433 | S | S | . | . | trans | -62.7 | 149.1 | 175.3 | 26.8 | -34.3 | 0 | 0 | 0 | 110.6 | A259 A260 Q261 | P257-A259 VanDerWaalsContact C-N 3.27Å; P257-A259 PolarHBondContact O-N 3.45Å; P257-A260 HydrophobicContact CG-CB 3.93Å; P257-A260 WeakPolarHBondContact O-CA 3.42Å; P257-A260 WeakPolarHBondContact O-CB 3.47Å; P257-A260 PolarHBondContact O-N 3.15Å; P257-Q261 PolarHBondContact O-N 2.79Å; P257-Q261 VanDerWaalsContact O-N 3.17Å | ||
| 258 | P | 92.6 | Very high | 93.7 | Very high | 101 Ų | 101 | 83.8 Ų | 83.8 | 66% | 0.656 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -51.9 | -38.8 | -172.1 | -31.2 | 36 | 0 | 0 | 0 | 115.1 | A260 Q261 E262 | P258-A260 VanDerWaalsContact C-N 3.28Å; P258-A260 PolarHBondContact O-N 3.12Å; P258-Q261 WeakPolarHBondContact O-CB 3.48Å; P258-Q261 PolarHBondContact O-N 3.37Å; P258-E262 WeakPolarHBondContact O-CB 3.46Å; P258-E262 PolarHBondContact O-N 3.23Å |
| 259 | A | 93.4 | Very high | 93.8 | Very high | 73 Ų | 73 | 86.5 Ų | 86.5 | 60% | 0.603 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.3 | -27.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P257 R263 | P257-A259 VanDerWaalsContact C-N 3.27Å; P257-A259 PolarHBondContact O-N 3.45Å; A259-R263 WeakPolarHBondContact O-CB 3.24Å; A259-R263 PolarHBondContact O-N 3.44Å |
| 260 | A | 93.5 | Very high | 93.8 | Very high | 31 Ų | 31 | 83.7 Ų | 83.7 | 26% | 0.256 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -80.5 | -35.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L256 P257 P258 R263 I264 | L256-A260 HydrophobicContact CB-CB 4.25Å; P257-A260 HydrophobicContact CG-CB 3.93Å; P257-A260 WeakPolarHBondContact O-CA 3.42Å; P257-A260 WeakPolarHBondContact O-CB 3.47Å; P257-A260 PolarHBondContact O-N 3.15Å; P258-A260 VanDerWaalsContact C-N 3.28Å; P258-A260 PolarHBondContact O-N 3.12Å; A260-R263 PolarHBondContact O-N 3.01Å; A260-I264 WeakPolarHBondContact O-CG1 3.19Å; A260-I264 PolarHBondContact O-N 2.89Å |
| 261 | Q | 92.9 | Very high | 93.8 | Very high | 66 Ų | 66 | 87.3 Ų | 87.3 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.7 | -51.2 | 171.9 | -56.5 | -179.2 | -1.3 | 0 | 0 | 110.6 | A251 L256 P257 P258 R263 I264 L265 | A251-Q261 HydrophobicContact CB-CB 4.3Å; A251-Q261 HydrophobicContact CB-CG 4.08Å; L256-Q261 HydrophobicContact CB-CG 4.01Å; L256-Q261 PolarHBondContact O-NE2 2.89Å; P257-Q261 PolarHBondContact O-N 2.79Å; P257-Q261 VanDerWaalsContact O-N 3.17Å; P258-Q261 WeakPolarHBondContact O-CB 3.48Å; P258-Q261 PolarHBondContact O-N 3.37Å; Q261-R263 VanDerWaalsContact C-N 3.32Å; Q261-R263 PolarHBondContact O-N 3.14Å; Q261-I264 PolarHBondContact O-N 3.5Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 2.93Å |
| 262 | E | 93.7 | Very high | 93.8 | Very high | 124 Ų | 124 | 87.2 Ų | 87.2 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -55 | -46.7 | 176.2 | -178.4 | 179.6 | -170.1 | 0 | 0 | 111.5 | P258 I264 L265 L266 | P258-E262 WeakPolarHBondContact O-CB 3.46Å; P258-E262 PolarHBondContact O-N 3.23Å; E262-I264 PolarHBondContact O-N 2.94Å; E262-L265 PolarHBondContact O-N 3.35Å; E262-L266 HydrophobicContact CG-CD1 3.98Å; E262-L266 HydrophobicContact CG-CG 4.5Å; E262-L266 WeakPolarHBondContact O-CG 3.23Å; E262-L266 PolarHBondContact O-N 3.06Å |
| 263 | R | 94.5 | Very high | 93.8 | Very high | 163 Ų | 163 | 83.7 Ų | 83.7 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 177.5 | 179.8 | 178.6 | 168 | 168.5 | -0.3 | 112.6 | A259 A260 Q261 L265 L266 E267 | A259-R263 WeakPolarHBondContact O-CB 3.24Å; A259-R263 PolarHBondContact O-N 3.44Å; A260-R263 PolarHBondContact O-N 3.01Å; Q261-R263 VanDerWaalsContact C-N 3.32Å; Q261-R263 PolarHBondContact O-N 3.14Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.08Å; R263-L266 PolarHBondContact O-N 3.22Å; R263-E267 HydrophobicContact CG-CG 4.5Å; R263-E267 IonicContact CZ-OE1 3.23Å; R263-E267 VanDerWaalsContact CZ-OE1 3.26Å; R263-E267 IonicContact NE-OE1 2.8Å; R263-E267 PolarHBondContact NE-OE1 3.01Å; R263-E267 IonicContact NH2-OE1 3.69Å; R263-E267 PolarHBondContact NH2-OE1 2.97Å; R263-E267 WeakPolarHBondContact O-CB 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.03Å |
| 264 | I | 93.8 | Very high | 93.6 | Very high | 43 Ų | 43 | 82.3 Ų | 82.3 | 22% | 0.221 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 179.5 | -71.2 | 166.3 | 0 | 0 | 0 | 110.9 | Q247 A251 L256 A260 Q261 E262 E267 E268 | Q247-I264 HydrophobicContact CB-CG2 4.17Å; A251-I264 HydrophobicContact CB-CD1 4.4Å; L256-I264 HydrophobicContact CD1-CD1 3.38Å; A260-I264 WeakPolarHBondContact O-CG1 3.19Å; A260-I264 PolarHBondContact O-N 2.89Å; Q261-I264 PolarHBondContact O-N 3.5Å; E262-I264 PolarHBondContact O-N 2.94Å; I264-E267 PolarHBondContact O-N 2.86Å; I264-E268 PolarHBondContact O-N 3.09Å |
| 265 | L | 95.2 | Very high | 93.3 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 177.7 | -67.9 | 173.6 | 0 | 0 | 0 | 112.2 | L244 Q247 A248 Q261 E262 R263 E268 F269 | L244-L265 WeakPolarHBondContact CD2-O 3.5Å; L244-L265 WeakPolarHBondContact O-CD2 3.39Å; Q247-L265 HydrophobicContact CB-CD2 4.05Å; A248-L265 HydrophobicContact CB-CD2 4.05Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 2.93Å; E262-L265 PolarHBondContact O-N 3.35Å; R263-L265 VanDerWaalsContact C-N 3.34Å; R263-L265 PolarHBondContact O-N 3.08Å; L265-E268 PolarHBondContact O-N 3.42Å; L265-F269 WeakPolarHBondContact O-CB 3.15Å; L265-F269 PolarHBondContact O-N 2.82Å |
| 266 | L | 95.1 | Very high | 93 | Very high | 106 Ų | 106 | 71.3 Ų | 71.3 | 56% | 0.555 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.3 | -37.4 | 175.1 | -69.1 | 172.5 | 0 | 0 | 0 | 112.2 | E262 R263 F269 G270 | E262-L266 HydrophobicContact CG-CD1 3.98Å; E262-L266 HydrophobicContact CG-CG 4.5Å; E262-L266 WeakPolarHBondContact O-CG 3.23Å; E262-L266 PolarHBondContact O-N 3.06Å; R263-L266 PolarHBondContact O-N 3.22Å; L266-F269 PolarHBondContact O-N 2.76Å; L266-G270 PolarHBondContact O-N 3Å |
| 267 | E | 93.8 | Very high | 92.7 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.3 | -75.7 | -179.5 | -169.6 | 0 | 0 | 112.2 | R263 I264 R271 | R263-E267 HydrophobicContact CG-CG 4.5Å; R263-E267 IonicContact CZ-OE1 3.23Å; R263-E267 VanDerWaalsContact CZ-OE1 3.26Å; R263-E267 IonicContact NE-OE1 2.8Å; R263-E267 PolarHBondContact NE-OE1 3.01Å; R263-E267 IonicContact NH2-OE1 3.69Å; R263-E267 PolarHBondContact NH2-OE1 2.97Å; R263-E267 WeakPolarHBondContact O-CB 3.3Å; R263-E267 WeakPolarHBondContact O-CG 3.35Å; R263-E267 PolarHBondContact O-N 3.03Å; I264-E267 PolarHBondContact O-N 2.86Å; E267-R271 VanDerWaalsContact O-CG 3.31Å; E267-R271 WeakPolarHBondContact O-CG 3.06Å; E267-R271 PolarHBondContact O-N 3.32Å; E267-R271 VanDerWaalsContact O-N 3.07Å |
| 268 | E | 94.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 75.1 Ų | 75.1 | 8% | 0.075 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.2 | -35.3 | 174.6 | -170.1 | 68.1 | -142.7 | 0 | 0 | 112.5 | C243 L244 Q247 I264 L265 R271 T272 R275 | C243-E268 HydrophobicContact CB-CG 4.25Å; L244-E268 HydrophobicContact CD2-CB 4.29Å; Q247-E268 HydrophobicContact CG-CB 3.83Å; Q247-E268 HydrophobicContact CG-CG 3.77Å; Q247-E268 PolarHBondContact NE2-OE2 3.48Å; I264-E268 PolarHBondContact O-N 3.09Å; L265-E268 PolarHBondContact O-N 3.42Å; E268-R271 PolarHBondContact O-N 2.64Å; E268-T272 WeakPolarHBondContact O-CB 3.48Å; E268-T272 PolarHBondContact O-N 3.26Å; E268-T272 PolarHBondContact O-OG1 3.5Å; E268-R275 IonicContact OE1-NH1 3.49Å; E268-R275 PolarHBondContact OE1-NH1 3.38Å; E268-R275 IonicContact OE1-NH2 3.79Å |
| 269 | F | 95.7 | Very high | 91.7 | Very high | 90 Ų | 90 | 71.4 Ų | 71.4 | 40% | 0.395 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.9 | -173.9 | -121.2 | 0 | 0 | 0 | 111 | T240 L244 L265 L266 T272 L273 | T240-F269 HydrophobicContact CG2-CD2 4.3Å; T240-F269 HydrophobicContact CG2-CE2 4.34Å; L244-F269 HydrophobicContact CD1-CD2 4.08Å; L244-F269 HydrophobicContact CD2-CB 3.87Å; L265-F269 WeakPolarHBondContact O-CB 3.15Å; L265-F269 PolarHBondContact O-N 2.82Å; L266-F269 PolarHBondContact O-N 2.76Å; F269-T272 PolarHBondContact O-N 3.42Å; F269-L273 HydrophobicContact CD1-CD1 4.05Å; F269-L273 HydrophobicContact CE1-CD1 3.64Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CE2-CD2 4.45Å; F269-L273 HydrophobicContact CE2-CG 4.37Å; F269-L273 HydrophobicContact CZ-CD1 3.9Å; F269-L273 HydrophobicContact CZ-CD2 4.26Å; F269-L273 HydrophobicContact CZ-CG 4.2Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 3.29Å |
| 270 | G | 95 | Very high | 91.1 | Very high | 28 Ų | 28 | 68.9 Ų | 68.9 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.5 | -50.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L266 T272 L273 E274 | L266-G270 PolarHBondContact O-N 3Å; G270-T272 VanDerWaalsContact C-N 3.25Å; G270-T272 PolarHBondContact O-N 3.37Å; G270-L273 PolarHBondContact O-N 3.01Å; G270-E274 WeakPolarHBondContact O-CG 3.47Å; G270-E274 PolarHBondContact O-N 3.36Å |
| 271 | R | 93.3 | Very high | 90.4 | Very high | 129 Ų | 129 | 70.2 Ų | 70.2 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.9 | -35.5 | 176 | -72.5 | 170.3 | 178.7 | -164.4 | 0.1 | 113.2 | E267 E268 R275 | E267-R271 VanDerWaalsContact O-CG 3.31Å; E267-R271 WeakPolarHBondContact O-CG 3.06Å; E267-R271 PolarHBondContact O-N 3.32Å; E267-R271 VanDerWaalsContact O-N 3.07Å; E268-R271 PolarHBondContact O-N 2.64Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.86Å |
| 272 | T | 93 | Very high | 89.7 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | T240 E268 F269 G270 R275 V276 V326 | T240-T272 HydrophobicContact CG2-CG2 3.81Å; T240-T272 WeakPolarHBondContact OG1-CG2 3.35Å; E268-T272 WeakPolarHBondContact O-CB 3.48Å; E268-T272 PolarHBondContact O-N 3.26Å; E268-T272 PolarHBondContact O-OG1 3.5Å; F269-T272 PolarHBondContact O-N 3.42Å; G270-T272 VanDerWaalsContact C-N 3.25Å; G270-T272 PolarHBondContact O-N 3.37Å; T272-R275 PolarHBondContact O-N 2.84Å; T272-V276 WeakPolarHBondContact O-CG2 3.16Å; T272-V276 PolarHBondContact O-N 2.78Å; T272-V276 VanDerWaalsContact O-N 3.09Å; T272-V326 HydrophobicContact CG2-CG1 4.05Å; T272-V326 HydrophobicContact CG2-CG2 4.21Å |
| 273 | L | 91.6 | Very high | 88.5 | Confident | 58 Ų | 58 | 67.7 Ų | 67.7 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 171.6 | -69.1 | 176.2 | 0 | 0 | 0 | 112.2 | F269 G270 R275 V276 I277 | F269-L273 HydrophobicContact CD1-CD1 4.05Å; F269-L273 HydrophobicContact CE1-CD1 3.64Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CE2-CD2 4.45Å; F269-L273 HydrophobicContact CE2-CG 4.37Å; F269-L273 HydrophobicContact CZ-CD1 3.9Å; F269-L273 HydrophobicContact CZ-CD2 4.26Å; F269-L273 HydrophobicContact CZ-CG 4.2Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 3.29Å; G270-L273 PolarHBondContact O-N 3.01Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.46Å; L273-V276 PolarHBondContact O-N 2.94Å; L273-I277 WeakPolarHBondContact O-CB 3.48Å; L273-I277 WeakPolarHBondContact O-CD1 3.28Å; L273-I277 VanDerWaalsContact O-CG1 3.24Å; L273-I277 WeakPolarHBondContact O-CG1 3.47Å; L273-I277 PolarHBondContact O-N 3.24Å |
| 274 | E | 90.6 | Very high | 87.1 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.4 | -45.1 | 175.2 | -74.7 | 174.5 | 171.9 | 0 | 0 | 111.9 | G270 V276 I277 E278 | G270-E274 WeakPolarHBondContact O-CG 3.47Å; G270-E274 PolarHBondContact O-N 3.36Å; E274-V276 PolarHBondContact O-N 3.18Å; E274-I277 PolarHBondContact O-N 3.41Å; E274-E278 WeakPolarHBondContact O-CB 3.24Å; E274-E278 PolarHBondContact O-N 3.35Å |
| 275 | R | 87.3 | Confident | 85.4 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 25% | 0.249 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.5 | -69.2 | 172 | -171.1 | 138.2 | 4.7 | 112.6 | E268 R271 T272 L273 E278 A279 | E268-R275 IonicContact OE1-NH1 3.49Å; E268-R275 PolarHBondContact OE1-NH1 3.38Å; E268-R275 IonicContact OE1-NH2 3.79Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.86Å; T272-R275 PolarHBondContact O-N 2.84Å; L273-R275 VanDerWaalsContact C-N 3.34Å; L273-R275 PolarHBondContact O-N 3.46Å; R275-E278 PolarHBondContact O-N 2.92Å; R275-A279 WeakPolarHBondContact O-CB 3.23Å; R275-A279 PolarHBondContact O-N 3.21Å |
| 276 | V | 86.7 | Confident | 83.4 | Confident | 8 Ų | 8 | 74.3 Ų | 74.3 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | F231 V236 T272 L273 E274 A279 A280 V326 | F231-V276 HydrophobicContact CB-CG1 4.1Å; V236-V276 HydrophobicContact CG1-CG2 3.76Å; T272-V276 WeakPolarHBondContact O-CG2 3.16Å; T272-V276 PolarHBondContact O-N 2.78Å; T272-V276 VanDerWaalsContact O-N 3.09Å; L273-V276 PolarHBondContact O-N 2.94Å; E274-V276 PolarHBondContact O-N 3.18Å; V276-A279 PolarHBondContact O-N 3.46Å; V276-A280 WeakPolarHBondContact O-CB 3.29Å; V276-A280 PolarHBondContact O-N 3.1Å; V276-V326 HydrophobicContact CG2-CG1 4.18Å |
| 277 | I | 85.9 | Confident | 81.3 | Confident | 106 Ų | 106 | 74 Ų | 74 | 54% | 0.544 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.6 | -67.4 | 163 | 0 | 0 | 0 | 111.1 | L273 E274 A280 S281 | L273-I277 WeakPolarHBondContact O-CB 3.48Å; L273-I277 WeakPolarHBondContact O-CD1 3.28Å; L273-I277 VanDerWaalsContact O-CG1 3.24Å; L273-I277 WeakPolarHBondContact O-CG1 3.47Å; L273-I277 PolarHBondContact O-N 3.24Å; E274-I277 PolarHBondContact O-N 3.41Å; I277-A280 PolarHBondContact O-N 3.34Å; I277-S281 WeakPolarHBondContact O-CB 3.49Å; I277-S281 PolarHBondContact O-N 3.19Å; I277-S281 PolarHBondContact O-OG 2.88Å |
| 278 | E | 85.2 | Confident | 79.2 | Confident | 100 Ų | 100 | 74.3 Ų | 74.3 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.1 | -166.1 | -169 | 166.4 | 0 | 0 | 111.6 | E274 R275 S281 K282 | E274-E278 WeakPolarHBondContact O-CB 3.24Å; E274-E278 PolarHBondContact O-N 3.35Å; R275-E278 PolarHBondContact O-N 2.92Å; E278-S281 PolarHBondContact O-N 2.69Å; E278-K282 HydrophobicContact CG-CD 4.3Å; E278-K282 WeakPolarHBondContact O-CB 3.47Å; E278-K282 WeakPolarHBondContact O-CG 3.39Å; E278-K282 PolarHBondContact O-N 3.13Å; E278-K282 VanDerWaalsContact OE1-CE 3.26Å; E278-K282 WeakPolarHBondContact OE1-CE 3.45Å; E278-K282 IonicContact OE1-NZ 2.64Å; E278-K282 PolarHBondContact OE1-NZ 3.42Å |
| 279 | A | 81.8 | Confident | 77.1 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 20% | 0.198 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R275 V276 S281 K282 A283 A330 | R275-A279 WeakPolarHBondContact O-CB 3.23Å; R275-A279 PolarHBondContact O-N 3.21Å; V276-A279 PolarHBondContact O-N 3.46Å; A279-S281 VanDerWaalsContact C-N 3.34Å; A279-S281 PolarHBondContact O-N 2.97Å; A279-K282 PolarHBondContact O-N 2.85Å; A279-A283 PolarHBondContact O-N 3.27Å; A279-A330 HydrophobicContact CB-CB 3.81Å |
| 280 | A | 79.9 | Confident | 74.4 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 17% | 0.165 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F231 V276 I277 A283 Q284 | F231-A280 HydrophobicContact CD1-CB 3.93Å; F231-A280 HydrophobicContact CD2-CB 3.56Å; F231-A280 HydrophobicContact CE1-CB 3.95Å; F231-A280 HydrophobicContact CE2-CB 3.57Å; F231-A280 HydrophobicContact CG-CB 3.75Å; F231-A280 HydrophobicContact CZ-CB 3.78Å; V276-A280 WeakPolarHBondContact O-CB 3.29Å; V276-A280 PolarHBondContact O-N 3.1Å; I277-A280 PolarHBondContact O-N 3.34Å; A280-A283 PolarHBondContact O-N 3.1Å; A280-Q284 PolarHBondContact O-N 3.34Å |
| 281 | S | 79.3 | Confident | 71.8 | Confident | 58 Ų | 58 | 82.1 Ų | 82.1 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | I277 E278 A279 Q284 I285 | I277-S281 WeakPolarHBondContact O-CB 3.49Å; I277-S281 PolarHBondContact O-N 3.19Å; I277-S281 PolarHBondContact O-OG 2.88Å; E278-S281 PolarHBondContact O-N 2.69Å; A279-S281 VanDerWaalsContact C-N 3.34Å; A279-S281 PolarHBondContact O-N 2.97Å; S281-Q284 PolarHBondContact O-N 2.89Å; S281-I285 WeakPolarHBondContact O-CD1 3.26Å; S281-I285 VanDerWaalsContact O-CG1 3.31Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 3.05Å |
| 282 | K | 76.8 | Confident | 69 | Low | 114 Ų | 114 | 85 Ų | 85 | 50% | 0.496 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -34.6 | 176.9 | -77.4 | 170.8 | 172.6 | 172.1 | 0 | 112.9 | E278 A279 R286 | E278-K282 HydrophobicContact CG-CD 4.3Å; E278-K282 WeakPolarHBondContact O-CB 3.47Å; E278-K282 WeakPolarHBondContact O-CG 3.39Å; E278-K282 PolarHBondContact O-N 3.13Å; E278-K282 VanDerWaalsContact OE1-CE 3.26Å; E278-K282 WeakPolarHBondContact OE1-CE 3.45Å; E278-K282 IonicContact OE1-NZ 2.64Å; E278-K282 PolarHBondContact OE1-NZ 3.42Å; A279-K282 PolarHBondContact O-N 2.85Å; K282-R286 WeakPolarHBondContact O-CG 3.45Å; K282-R286 PolarHBondContact O-N 3.45Å |
| 283 | A | 69.8 | Low | 66.3 | Low | 23 Ų | 23 | 91.2 Ų | 91.2 | 19% | 0.19 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F231 A279 A280 I285 R286 S287 A334 | F231-A283 HydrophobicContact CE1-CB 4.02Å; F231-A283 HydrophobicContact CZ-CB 3.94Å; A279-A283 PolarHBondContact O-N 3.27Å; A280-A283 PolarHBondContact O-N 3.1Å; A283-I285 VanDerWaalsContact C-N 3.33Å; A283-I285 PolarHBondContact O-N 3.1Å; A283-R286 PolarHBondContact O-N 3.38Å; A283-R286 VanDerWaalsContact O-N 3.14Å; A283-S287 PolarHBondContact O-N 2.96Å; A283-A334 HydrophobicContact CB-CB 4.39Å |
| 284 | Q | 64.2 | Low | 63.5 | Low | 99 Ų | 99 | 94.1 Ų | 94.1 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 180 | -70.8 | -169.7 | -26 | 0 | 0 | 113.7 | A280 S281 R286 S288 | A280-Q284 PolarHBondContact O-N 3.34Å; S281-Q284 PolarHBondContact O-N 2.89Å; Q284-R286 VanDerWaalsContact C-N 3.34Å; Q284-R286 PolarHBondContact O-N 2.77Å; Q284-S288 PolarHBondContact O-N 3.43Å |
| 285 | I | 58.3 | Low | 60.9 | Low | 109 Ų | 109 | 92 Ų | 92 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -37 | 176.7 | -67.2 | 164.2 | 0 | 0 | 0 | 111.5 | S281 A283 S288 S289 | S281-I285 WeakPolarHBondContact O-CD1 3.26Å; S281-I285 VanDerWaalsContact O-CG1 3.31Å; S281-I285 WeakPolarHBondContact O-CG1 3.42Å; S281-I285 PolarHBondContact O-N 3.05Å; A283-I285 VanDerWaalsContact C-N 3.33Å; A283-I285 PolarHBondContact O-N 3.1Å; I285-S288 PolarHBondContact O-N 3.47Å; I285-S288 PolarHBondContact O-OG 2.71Å; I285-S289 PolarHBondContact O-OG 2.91Å |
| 286 | R | 53.2 | Low | 58.7 | Low | 191 Ų | 191 | 94.1 Ų | 94.1 | 72% | 0.721 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -43.9 | 178.7 | -72.6 | 175.8 | 174.9 | -174 | -2.3 | 112.1 | K282 A283 Q284 S288 S289 | K282-R286 WeakPolarHBondContact O-CG 3.45Å; K282-R286 PolarHBondContact O-N 3.45Å; A283-R286 PolarHBondContact O-N 3.38Å; A283-R286 VanDerWaalsContact O-N 3.14Å; Q284-R286 VanDerWaalsContact C-N 3.34Å; Q284-R286 PolarHBondContact O-N 2.77Å; R286-S288 VanDerWaalsContact C-N 3.26Å; R286-S288 PolarHBondContact O-N 3.15Å; R286-S289 PolarHBondContact O-N 3.41Å |
| 287 | S | 51.8 | Low | 56.5 | Low | 99 Ų | 99 | 100.8 Ų | 100.8 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.8 | -32.4 | 177.5 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | A283 S289 | A283-S287 PolarHBondContact O-N 2.96Å; S287-S289 VanDerWaalsContact C-N 3.34Å; S287-S289 PolarHBondContact O-N 2.9Å |
| 288 | S | 49.7 | Very low | 54.5 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.3 | -12.5 | 179.1 | 69 | 0 | 0 | 0 | 0 | 115.4 | Q284 I285 R286 | Q284-S288 PolarHBondContact O-N 3.43Å; I285-S288 PolarHBondContact O-N 3.47Å; I285-S288 PolarHBondContact O-OG 2.71Å; R286-S288 VanDerWaalsContact C-N 3.26Å; R286-S288 PolarHBondContact O-N 3.15Å |
| 289 | S | 49.4 | Very low | 52.3 | Low | 89 Ų | 89 | 106 Ų | 106 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 2.6 | -171.7 | -56.1 | 0 | 0 | 0 | 0 | 114.2 | I285 R286 S287 | I285-S289 PolarHBondContact O-OG 2.91Å; R286-S289 PolarHBondContact O-N 3.41Å; S287-S289 VanDerWaalsContact C-N 3.34Å; S287-S289 PolarHBondContact O-N 2.9Å |
| 290 | G | 40.1 | Very low | 50.4 | Low | 67 Ų | 67 | 111.9 Ų | 111.9 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | trans | -85.9 | -5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 291 | I | 39 | Very low | 48.7 | Very low | 142 Ų | 142 | 116.3 Ų | 116.3 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | trans | -105.7 | 74.6 | -171.8 | -47.7 | 178.1 | 0 | 0 | 0 | 110.8 | ||||
| 292 | H | 36.4 | Very low | 46.9 | Very low | 190 Ų | 190 | 121.7 Ų | 121.7 | 88% | 0.88 | 69% | 0.687 | S | S | * | * | trans | -137.6 | 119.8 | 157.2 | -93 | -73.5 | 0 | 0 | 0 | 110.5 | ||||
| 293 | T | 36.2 | Very low | 45.1 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | trans | -77.1 | 146.7 | -167.8 | 48.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 294 | S | 31.9 | Very low | 43.5 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -57.7 | 129.7 | 167.5 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 295 | A | 36.6 | Very low | 42.5 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -175.6 | 160.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 296 | S | 40.9 | Very low | 41.4 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 60.2 | 112.1 | -177.2 | 42.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 297 | I | 41 | Very low | 40.7 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | cis | 64.1 | 92.7 | 49.2 | -49.7 | 173.2 | 0 | 0 | 0 | 111.8 | ||||
| 298 | D | 42.8 | Very low | 39.9 | Very low | 155 Ų | 155 | 129 Ų | 129 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | 179.2 | 141.9 | 110.7 | -95.7 | -41 | 0 | 0 | 0 | 111.3 | |||||
| 299 | D | 39 | Very low | 39.1 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | -68.2 | 152.4 | 169.5 | -71.2 | -92.1 | 0 | 0 | 0 | 111.8 | ||||
| 300 | N | 41.6 | Very low | 38.4 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 168.9 | 106.6 | 130.7 | -173.5 | 79 | 0 | 0 | 0 | 114.6 | ||||
| 301 | D | 44.4 | Very low | 38.4 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 60% | 0.599 | 81% | 0.81 | S | S | * | * | trans | 70.9 | 125.2 | 132 | -145.8 | 48.9 | 0 | 0 | 0 | 125 | ||||
| 302 | Q | 41.1 | Very low | 38.3 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | 46.8 | 133.1 | 144.5 | -73.8 | 171.6 | 65.4 | 0 | 0 | 124.3 | ||||
| 303 | G | 39 | Very low | 38.6 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 179.3 | 85.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 304 | L | 37 | Very low | 38.5 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -57.9 | 148.5 | 172.8 | -92.5 | 63.6 | 0 | 0 | 0 | 113.3 | ||||
| 305 | I | 42.7 | Very low | 38.6 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | -174.2 | 144.4 | 100.1 | 45.5 | 177 | 0 | 0 | 0 | 113.8 | |||||
| 306 | H | 36 | Very low | 38.6 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -84.9 | 156.1 | 170.3 | -78.4 | -114.7 | 0 | 0 | 0 | 112.3 | ||||
| 307 | S | 39 | Very low | 38.2 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | -178.4 | 152.1 | 116.3 | -79.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 308 | G | 34.5 | Very low | 37.9 | Very low | 85 Ų | 85 | 124.7 Ų | 124.7 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | -102.4 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 309 | G | 33.6 | Very low | 37.6 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -172.3 | 110.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 310 | S | 33.5 | Very low | 37.5 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -106.6 | 142.7 | -179.3 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 311 | T | 41.3 | Very low | 37.9 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -169.3 | 128.7 | 147.4 | 20.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 312 | G | 36 | Very low | 38 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 81.6 | 113.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 313 | P | 42.2 | Very low | 38.5 | Very low | 141 Ų | 141 | 111.5 Ų | 111.5 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -87.9 | 144.8 | 167.7 | 34.7 | -32 | 0 | 0 | 0 | 112.9 | ||||
| 314 | G | 35.3 | Very low | 39.2 | Very low | 78 Ų | 78 | 112.9 Ų | 112.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -128.4 | 144 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 315 | S | 32.8 | Very low | 40.2 | Very low | 111 Ų | 111 | 107.2 Ų | 107.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -85.9 | 178.1 | -167.6 | -168.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 316 | L | 37.7 | Very low | 41 | Very low | 171 Ų | 171 | 99.4 Ų | 99.4 | 90% | 0.895 | 72% | 0.72 | S | S | * | * | trans | 78.5 | 129.4 | 170.9 | -42.5 | 169.5 | 0 | 0 | 0 | 114.7 | ||||
| 317 | G | 32.9 | Very low | 42.3 | Very low | 79 Ų | 79 | 93.2 Ų | 93.2 | 81% | 0.814 | 70% | 0.7 | S | S | * | * | cis | 171.5 | 166.6 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 318 | G | 34.1 | Very low | 43.4 | Very low | 84 Ų | 84 | 89.8 Ų | 89.8 | 87% | 0.866 | 68% | 0.68 | S | S | * | * | trans | 100.8 | 116.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 319 | K | 36.2 | Very low | 44.7 | Very low | 213 Ų | 213 | 86.8 Ų | 86.8 | 93% | 0.926 | 65% | 0.647 | S | S | * | * | trans | -79.8 | 130.5 | 176 | -66.8 | 171.2 | 173.7 | 178 | 0 | 110.4 | ||||
| 320 | G | 37.1 | Very low | 46.1 | Very low | 57 Ų | 57 | 82.8 Ų | 82.8 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | trans | -141.4 | 49 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | G322 | G320-G322 VanDerWaalsContact C-N 3.28Å; G320-G322 PolarHBondContact O-N 3.39Å | ||
| 321 | S | 49 | Very low | 47.5 | Very low | 112 Ų | 112 | 79.9 Ų | 79.9 | 78% | 0.783 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -10.2 | -167.4 | -58.5 | 0 | 0 | 0 | 0 | 116.6 | ||
| 322 | G | 48.1 | Very low | 48.4 | Very low | 45 Ų | 45 | 75.6 Ų | 75.6 | 46% | 0.464 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -40 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G320 V324 G325 | G320-G322 VanDerWaalsContact C-N 3.28Å; G320-G322 PolarHBondContact O-N 3.39Å; G322-V324 VanDerWaalsContact C-N 3.27Å; G322-V324 PolarHBondContact O-N 3.42Å; G322-G325 PolarHBondContact O-N 3.46Å; G322-G325 VanDerWaalsContact O-N 3.13Å |
| 323 | A | 50 | Low | 49.5 | Very low | 43 Ų | 43 | 73 Ų | 73 | 36% | 0.355 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.3 | -26.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | G325 | A323-G325 VanDerWaalsContact C-N 3.33Å |
| 324 | V | 55.3 | Low | 50.4 | Low | 107 Ų | 107 | 67.8 Ų | 67.8 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.4 | -31.8 | 177.7 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | G322 A328 | G322-V324 VanDerWaalsContact C-N 3.27Å; G322-V324 PolarHBondContact O-N 3.42Å; V324-A328 VanDerWaalsContact O-CB 3.3Å; V324-A328 WeakPolarHBondContact O-CB 3.4Å; V324-A328 PolarHBondContact O-N 2.88Å |
| 325 | G | 58.1 | Low | 51.4 | Low | 35 Ų | 35 | 69 Ų | 69 | 36% | 0.361 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G322 A323 A327 A328 A329 | G322-G325 PolarHBondContact O-N 3.46Å; G322-G325 VanDerWaalsContact O-N 3.13Å; A323-G325 VanDerWaalsContact C-N 3.33Å; G325-A327 PolarHBondContact O-N 2.98Å; G325-A328 PolarHBondContact O-N 2.9Å; G325-A329 WeakPolarHBondContact O-CB 3.38Å; G325-A329 PolarHBondContact O-N 3.27Å |
| 326 | V | 59.5 | Low | 52.6 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | -179.1 | -177 | 0 | 0 | 0 | 0 | 111.3 | A239 T272 V276 A329 A330 | A239-V326 HydrophobicContact CB-CB 4.42Å; A239-V326 HydrophobicContact CB-CG2 3.68Å; T272-V326 HydrophobicContact CG2-CG1 4.05Å; T272-V326 HydrophobicContact CG2-CG2 4.21Å; V276-V326 HydrophobicContact CG2-CG1 4.18Å; V326-A329 PolarHBondContact O-N 3.41Å; V326-A330 WeakPolarHBondContact O-CB 3.41Å; V326-A330 PolarHBondContact O-N 2.89Å |
| 327 | A | 61.4 | Low | 53.4 | Low | 51 Ų | 51 | 64.5 Ų | 64.5 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G325 A331 | G325-A327 PolarHBondContact O-N 2.98Å; A327-A331 VanDerWaalsContact O-CB 3.32Å; A327-A331 WeakPolarHBondContact O-CB 3.48Å; A327-A331 PolarHBondContact O-N 3.11Å |
| 328 | A | 62.6 | Low | 54.4 | Low | 55 Ų | 55 | 70 Ų | 70 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.3 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V324 G325 A331 A332 | V324-A328 VanDerWaalsContact O-CB 3.3Å; V324-A328 WeakPolarHBondContact O-CB 3.4Å; V324-A328 PolarHBondContact O-N 2.88Å; G325-A328 PolarHBondContact O-N 2.9Å; A328-A331 PolarHBondContact O-N 2.92Å; A328-A332 WeakPolarHBondContact O-CB 3.37Å; A328-A332 PolarHBondContact O-N 3Å |
| 329 | A | 62.4 | Low | 55.4 | Low | 22 Ų | 22 | 72.9 Ų | 72.9 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E235 V236 G325 V326 A331 A332 A333 | E235-A329 HydrophobicContact CB-CB 4.04Å; V236-A329 HydrophobicContact CG2-CB 4.21Å; G325-A329 WeakPolarHBondContact O-CB 3.38Å; G325-A329 PolarHBondContact O-N 3.27Å; V326-A329 PolarHBondContact O-N 3.41Å; A329-A331 VanDerWaalsContact C-N 3.3Å; A329-A331 PolarHBondContact O-N 3.11Å; A329-A332 PolarHBondContact O-N 3.18Å; A329-A333 WeakPolarHBondContact O-CB 3.49Å; A329-A333 PolarHBondContact O-N 2.98Å |
| 330 | A | 62.7 | Low | 56.2 | Low | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.017 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.9 | -32.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V236 A279 V326 A334 | V236-A330 HydrophobicContact CG2-CB 4.14Å; A279-A330 HydrophobicContact CB-CB 3.81Å; V326-A330 WeakPolarHBondContact O-CB 3.41Å; V326-A330 PolarHBondContact O-N 2.89Å; A330-A334 PolarHBondContact O-N 3.48Å |
| 331 | A | 62.7 | Low | 56.9 | Low | 55 Ų | 55 | 74.6 Ų | 74.6 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.3 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A327 A328 A329 A333 A334 D335 | A327-A331 VanDerWaalsContact O-CB 3.32Å; A327-A331 WeakPolarHBondContact O-CB 3.48Å; A327-A331 PolarHBondContact O-N 3.11Å; A328-A331 PolarHBondContact O-N 2.92Å; A329-A331 VanDerWaalsContact C-N 3.3Å; A329-A331 PolarHBondContact O-N 3.11Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A331-A333 PolarHBondContact O-N 3.44Å; A331-A334 WeakPolarHBondContact O-CB 3.28Å; A331-A334 PolarHBondContact O-N 2.89Å; A331-A334 VanDerWaalsContact O-N 3.12Å; A331-D335 PolarHBondContact O-N 3.26Å |
| 332 | A | 60.5 | Low | 57 | Low | 55 Ų | 55 | 77 Ų | 77 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A328 A329 A334 D335 V336 | A328-A332 WeakPolarHBondContact O-CB 3.37Å; A328-A332 PolarHBondContact O-N 3Å; A329-A332 PolarHBondContact O-N 3.18Å; A332-A334 PolarHBondContact O-N 3.34Å; A332-D335 PolarHBondContact O-N 3.42Å; A332-V336 WeakPolarHBondContact O-CG2 3.43Å; A332-V336 PolarHBondContact O-N 2.87Å |
| 333 | A | 60 | Low | 57.2 | Low | 16 Ų | 16 | 82.5 Ų | 82.5 | 13% | 0.132 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60.1 | -28.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T233 A329 A331 | T233-A333 HydrophobicContact CG2-CB 3.5Å; A329-A333 WeakPolarHBondContact O-CB 3.49Å; A329-A333 PolarHBondContact O-N 2.98Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A331-A333 PolarHBondContact O-N 3.44Å |
| 334 | A | 60.2 | Low | 57.3 | Low | 32 Ų | 32 | 89.7 Ų | 89.7 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -82.9 | -27.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A283 A330 A331 A332 | A283-A334 HydrophobicContact CB-CB 4.39Å; A330-A334 PolarHBondContact O-N 3.48Å; A331-A334 WeakPolarHBondContact O-CB 3.28Å; A331-A334 PolarHBondContact O-N 2.89Å; A331-A334 VanDerWaalsContact O-N 3.12Å; A332-A334 PolarHBondContact O-N 3.34Å |
| 335 | D | 57.3 | Low | 57 | Low | 105 Ų | 105 | 92.8 Ų | 92.8 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -79 | -35.4 | 176 | -88.2 | -17.9 | 0 | 0 | 0 | 112.3 | A331 A332 L337 R338 | A331-D335 PolarHBondContact O-N 3.26Å; A332-D335 PolarHBondContact O-N 3.42Å; D335-L337 PolarHBondContact O-N 3.16Å; D335-R338 PolarHBondContact O-N 2.86Å |
| 336 | V | 57.7 | Low | 56.8 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -65 | -20.8 | -178.2 | 171.6 | 0 | 0 | 0 | 0 | 113.4 | A332 | A332-V336 WeakPolarHBondContact O-CG2 3.43Å; A332-V336 PolarHBondContact O-N 2.87Å |
| 337 | L | 54.1 | Low | 56.3 | Low | 82 Ų | 82 | 108.6 Ų | 108.6 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -90.4 | 6.6 | -179.5 | -65.7 | 173.5 | 0 | 0 | 0 | 114 | V230 D335 | V230-L337 HydrophobicContact CB-CD1 4.39Å; V230-L337 HydrophobicContact CG1-CD1 3.43Å; V230-L337 VanDerWaalsContact CG1-CD1 3.43Å; V230-L337 HydrophobicContact CG2-CD1 4.13Å; D335-L337 PolarHBondContact O-N 3.16Å |
| 338 | R | 54.7 | Low | 56 | Low | 194 Ų | 194 | 114.6 Ų | 114.6 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -83.7 | -7.9 | 178 | -84.3 | -176.8 | 54.7 | 125.1 | 6.1 | 115.1 | D335 | D335-R338 PolarHBondContact O-N 2.86Š|
| 339 | D | 53.6 | Low | 55.5 | Low | 145 Ų | 145 | 119.1 Ų | 119.1 | 78% | 0.775 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -107.7 | 6.1 | -171.6 | -67.2 | -37.8 | 0 | 0 | 0 | 113.9 | ||
| 340 | D | 52.7 | Low | 54.5 | Low | 137 Ų | 137 | 124.3 Ų | 124.3 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -120.9 | 8.7 | -174 | -81.4 | -52.8 | 0 | 0 | 0 | 114.6 | ||
| 341 | E | 53.1 | Low | 53.8 | Low | 169 Ų | 169 | 131.9 Ų | 131.9 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -99.4 | 8.7 | -170.6 | -67.6 | -162.5 | 131.5 | 0 | 0 | 116.9 | ||
| 342 | D | 51.3 | Low | 53 | Low | 163 Ų | 163 | 136.1 Ų | 136.1 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -107.3 | 3.6 | -169.4 | -78.2 | -41.4 | 0 | 0 | 0 | 117.2 | ||
| 343 | D | 51.5 | Low | 52.8 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -117.7 | 7.8 | -165.4 | -90.2 | -32 | 0 | 0 | 0 | 117.4 | ||||
| 344 | E | 51.5 | Low | 52.6 | Low | 194 Ų | 194 | 147.1 Ų | 147.1 | 91% | 0.907 | 75% | 0.746 | S | S | * | * | trans | -93 | -4.2 | -168.2 | -72 | -95.9 | 125.4 | 0 | 0 | 116.9 | ||||
| 345 | D | 49.5 | Very low | 52.1 | Low | 171 Ų | 171 | 154 Ų | 154 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -94 | 0.1 | -166.9 | -86.3 | -37.2 | 0 | 0 | 0 | 117 | ||
| 346 | E | 53.7 | Low | 52.3 | Low | 180 Ų | 180 | 157.6 Ų | 157.6 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -108.8 | 17 | -161.9 | -139 | -177.6 | -148.6 | 0 | 0 | 117.8 | ||
| 347 | M | 49.5 | Very low | 51.9 | Low | 187 Ų | 187 | 161.8 Ų | 161.8 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -128.1 | 24.3 | -173.7 | -64.4 | -160.4 | -64.6 | 0 | 0 | 117.2 | ||||
| 348 | M | 55.2 | Low | 52.2 | Low | 178 Ų | 178 | 165.3 Ų | 165.3 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -100.9 | 70.5 | 175.9 | -164.9 | 178.7 | -59.3 | 0 | 0 | 112.5 | ||||
| 349 | H | 50.9 | Low | 52.5 | Low | 149 Ų | 149 | 163 Ų | 163 | 69% | 0.69 | 82% | 0.821 | S | S | * | * | trans | -128.4 | 121 | 175.8 | -76.3 | -65.9 | 0 | 0 | 0 | 113.1 | ||||
| 350 | D | 41.5 | Very low | 52.3 | Low | 132 Ų | 132 | 161.7 Ų | 161.7 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | 59.3 | 85.2 | 142.5 | -43.6 | -24.1 | 0 | 0 | 0 | 117.5 | ||||
| 351 | I | 49.7 | Very low | 52.2 | Low | 160 Ų | 160 | 162.1 Ų | 162.1 | 82% | 0.821 | 82% | 0.822 | S | S | * | * | trans | -116 | 91.4 | 151.6 | -59.4 | 177.1 | 0 | 0 | 0 | 106.8 | V353 | I351-V353 PolarHBondContact O-N 3.39Š| ||
| 352 | D | 45.8 | Very low | 52.2 | Low | 144 Ų | 144 | 162.1 Ų | 162.1 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -62.4 | 120.1 | 168.7 | -67.6 | -56.8 | 0 | 0 | 0 | 109.1 | E354 | D352-E354 PolarHBondContact O-N 2.9Š| ||
| 353 | V | 55.6 | Low | 52.5 | Low | 120 Ų | 120 | 163.5 Ų | 163.5 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -87.3 | 100.8 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | I351 E355 | I351-V353 PolarHBondContact O-N 3.39Å; V353-E355 PolarHBondContact O-N 2.67Å; V353-E355 VanDerWaalsContact O-N 3.09Å | ||
| 354 | E | 55.2 | Low | 52.6 | Low | 182 Ų | 182 | 162.8 Ų | 162.8 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -64.4 | 107.7 | 166.5 | -67.5 | -173.2 | 164 | 0 | 0 | 108.1 | D352 E356 | D352-E354 PolarHBondContact O-N 2.9Å; E354-E356 PolarHBondContact O-N 2.93Å | ||
| 355 | E | 51.2 | Low | 52.3 | Low | 177 Ų | 177 | 161.8 Ų | 161.8 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -74.6 | 98.2 | 170.7 | -67.3 | -175.2 | 139.4 | 0 | 0 | 108.2 | V353 E357 | V353-E355 PolarHBondContact O-N 2.67Å; V353-E355 VanDerWaalsContact O-N 3.09Å; E355-E357 PolarHBondContact O-N 3.43Å | ||
| 356 | E | 59.8 | Low | 52.5 | Low | 180 Ų | 180 | 162.2 Ų | 162.2 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -67.8 | 109.1 | 167 | -78.8 | -174.3 | 136.5 | 0 | 0 | 109.2 | E354 D358 | E354-E356 PolarHBondContact O-N 2.93Å; E356-D358 PolarHBondContact O-N 3.28Å | ||
| 357 | E | 50.7 | Low | 52.5 | Low | 193 Ų | 193 | 161.6 Ų | 161.6 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -72.5 | 96.5 | 170.5 | -62.8 | -177.8 | 147.9 | 0 | 0 | 109.7 | E355 | E355-E357 PolarHBondContact O-N 3.43Š| ||
| 358 | D | 58.7 | Low | 52.3 | Low | 155 Ų | 155 | 163.7 Ų | 163.7 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -90.1 | 130.2 | 171.6 | -98.7 | -36.1 | 0 | 0 | 0 | 111.6 | E356 | E356-D358 PolarHBondContact O-N 3.28Š| ||
| 359 | D | 62.4 | Low | 51.6 | Low | 147 Ų | 147 | 158.4 Ų | 158.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -56.4 | 144.7 | -168.1 | -80.5 | -61.6 | 0 | 0 | 0 | 116.7 | ||||
| 360 | P | 49.7 | Very low | 51.4 | Low | 117 Ų | 117 | 159.4 Ų | 159.4 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -107 | 65.1 | 176.2 | 41.1 | -33.7 | 0 | 0 | 0 | 113.9 | ||||
| 361 | D | 49.3 | Very low | 51.6 | Low | 145 Ų | 145 | 160.1 Ų | 160.1 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | trans | -135.5 | 150.6 | 178.9 | -88.9 | -49.7 | 0 | 0 | 0 | 115.6 | ||||
| 362 | E | 52.6 | Low | 51.1 | Low | 170 Ų | 170 | 155.9 Ų | 155.9 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | 54.1 | 95.9 | 165.3 | -64.2 | -175.1 | 151.6 | 0 | 0 | 120.3 | ||||
| 363 | M | 57.7 | Low | 50.8 | Low | 192 Ų | 192 | 152.8 Ų | 152.8 | 95% | 0.946 | 82% | 0.824 | S | S | * | * | trans | -143.5 | 123.3 | 133.9 | -87.8 | -161 | -70 | 0 | 0 | 110.4 | ||||
| 364 | D | 54.1 | Low | 50.3 | Low | 145 Ų | 145 | 152.8 Ų | 152.8 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | trans | -76 | 151.7 | -157.3 | -54.7 | -86.4 | 0 | 0 | 0 | 117.4 | E366 | D364-E366 PolarHBondContact O-N 3.21Š| ||
| 365 | D | 45 | Very low | 49.7 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -67.1 | 101.4 | 161.8 | -80.8 | -66.9 | 0 | 0 | 0 | 111.3 | ||||
| 366 | E | 53.3 | Low | 49.3 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -116.2 | 90.6 | 166.5 | -145.2 | 177.8 | -173.3 | 0 | 0 | 114.5 | D364 | D364-E366 PolarHBondContact O-N 3.21Š| ||
| 367 | M | 54.7 | Low | 48.3 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | 74.9 | 111.5 | 132.4 | -158.2 | 169.3 | -167.6 | 0 | 0 | 120.9 | ||||
| 368 | Y | 45.1 | Very low | 47.7 | Very low | 231 Ų | 231 | 145.8 Ų | 145.8 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -65.6 | 145.8 | 161.2 | -96.1 | -108.2 | 0 | 0 | 0 | 113.5 | ||||
| 369 | G | 41.2 | Very low | 46.9 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | 112 | 152.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 370 | I | 46.5 | Very low | 45.8 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | cis | -140.9 | 145.9 | 12.6 | -73.8 | 177.8 | 0 | 0 | 0 | 109.9 | ||||
| 371 | V | 44.4 | Very low | 45.5 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -88.1 | 127.3 | 169.1 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 372 | G | 40.7 | Very low | 45.1 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 119.8 | 119.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 373 | G | 38 | Very low | 44.6 | Very low | 79 Ų | 79 | 146.9 Ų | 146.9 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | 94.4 | 130.9 | 132.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 374 | P | 46.8 | Very low | 44 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -111.7 | 151.7 | -175.2 | 39 | -31.2 | 0 | 0 | 0 | 114.9 | ||||
| 375 | T | 41.4 | Very low | 43.5 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -171 | 122.2 | 144.2 | 37.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 376 | I | 42.4 | Very low | 43.6 | Very low | 149 Ų | 149 | 144 Ų | 144 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | 68.4 | 127.4 | 128.1 | -57.8 | 173.9 | 0 | 0 | 0 | 121.9 | |||||
| 377 | S | 39.1 | Very low | 43.2 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 71.9 | 150.9 | 153.3 | -80.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 378 | R | 39.4 | Very low | 42.6 | Very low | 207 Ų | 207 | 141.1 Ų | 141.1 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | cis | -173.3 | 158.6 | -24.3 | -140 | 179.3 | -174.8 | -172.1 | 2.3 | 108.6 | ||||
| 379 | H | 42.1 | Very low | 43 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 77.8 | 146.6 | 179.5 | -48.9 | 89.1 | 0 | 0 | 0 | 115.5 | ||||
| 380 | G | 39.5 | Very low | 43.1 | Very low | 58 Ų | 58 | 145.5 Ų | 145.5 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | cis | 159.8 | 154 | -6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 381 | H | 43.1 | Very low | 43.4 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 83.6 | 109.9 | 178.4 | -48.8 | -59.4 | 0 | 0 | 0 | 115.8 | ||||
| 382 | S | 40.9 | Very low | 43.4 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | 77.2 | 128.9 | 75.6 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 383 | R | 41.6 | Very low | 43.2 | Very low | 235 Ų | 235 | 144.2 Ų | 144.2 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | cis | -167 | 131.4 | 39.7 | -126.2 | 166.2 | 166.6 | -165.5 | -5.6 | 113.3 | ||||
| 384 | S | 44 | Very low | 43.6 | Very low | 96 Ų | 96 | 145 Ų | 145 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | 27.5 | 129.9 | 136.1 | 63.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 385 | H | 45 | Very low | 43.6 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | -153.4 | 157.5 | 114.7 | -136.1 | -93.5 | 0 | 0 | 0 | 113.2 | |||||
| 386 | L | 45.9 | Very low | 43.6 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -106.9 | 151.6 | -166.2 | -69.1 | 161.9 | 0 | 0 | 0 | 114 | ||||
| 387 | G | 46.3 | Very low | 43.6 | Very low | 85 Ų | 85 | 150.7 Ų | 150.7 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | trans | -159.5 | 97.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 388 | R | 42.4 | Very low | 43.8 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -115 | 135.9 | -168 | -173.6 | -170.5 | -168.5 | -171.3 | 7.4 | 112.2 | H390 | R388-H390 PolarHBondContact NE-CD2 3.09Å; R388-H390 PolarHBondContact NH2-CD2 3.38Å | ||
| 389 | R | 52.1 | Low | 44 | Very low | 245 Ų | 245 | 150.4 Ų | 150.4 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -138.6 | 162 | 156.5 | -77.1 | -162.2 | 178.1 | -167.9 | 1.3 | 112.2 | ||||
| 390 | H | 44.4 | Very low | 44.1 | Very low | 146 Ų | 146 | 150 Ų | 150 | 68% | 0.676 | 79% | 0.785 | S | S | * | * | trans | -167.7 | 175.3 | -147.4 | -123.9 | -1.3 | 0 | 0 | 0 | 110.4 | R388 | R388-H390 PolarHBondContact NE-CD2 3.09Å; R388-H390 PolarHBondContact NH2-CD2 3.38Å | ||
| 391 | I | 51.4 | Low | 44.4 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | cis | -122.7 | -78.1 | 6.9 | -35.8 | 160.2 | 0 | 0 | 0 | 115.1 | ||||
| 392 | P | 45.5 | Very low | 44.6 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -132.3 | 156.1 | -133.4 | 38.9 | -21.1 | 0 | 0 | 0 | 119.3 | ||||
| 393 | S | 35.1 | Very low | 44.5 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -78 | 149.6 | 153.1 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 394 | S | 46.4 | Very low | 45 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | -151 | 119.7 | 174.5 | -98 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 395 | H | 46.7 | Very low | 45.1 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | 70.8 | 145.2 | 144.4 | -68.2 | -73.7 | 0 | 0 | 0 | 124.3 | ||||
| 396 | R | 42.5 | Very low | 45.2 | Very low | 235 Ų | 235 | 151.8 Ų | 151.8 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | 85.3 | 128.5 | 150.1 | -120.6 | 167.1 | 179 | -148.4 | -2.3 | 116.9 | ||||
| 397 | S | 41.7 | Very low | 45.2 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -153.1 | 148 | -8.5 | -127.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 398 | T | 42.9 | Very low | 45.3 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 145 | 161.8 | 37.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 399 | H | 44.7 | Very low | 45.8 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -139.5 | 112.6 | 154.2 | -118.1 | -78.9 | 0 | 0 | 0 | 108.4 | ||||
| 400 | L | 43 | Very low | 45.5 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 141.7 | 163.7 | -67.5 | 165.2 | 0 | 0 | 0 | 107.4 | ||||
| 401 | V | 47 | Very low | 46.2 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -137.8 | 138.4 | 167.3 | -176 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 402 | P | 47 | Very low | 46.3 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -87.8 | 169.8 | -153.4 | -9.9 | 29.3 | 0 | 0 | 0 | 115.1 | ||||
| 403 | E | 39.7 | Very low | 46.2 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -54.5 | 134.6 | 158.4 | -68.3 | 162.6 | 118.1 | 0 | 0 | 110.8 | ||||
| 404 | L | 51.5 | Low | 47.1 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -133.3 | 127.6 | 151.3 | -78.8 | 176.3 | 0 | 0 | 0 | 107.2 | ||||
| 405 | E | 45.2 | Very low | 47 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | -82.3 | -178.3 | 173.6 | -56.1 | 178.4 | 165 | 0 | 0 | 109.2 | ||||
| 406 | D | 47.8 | Very low | 47.2 | Very low | 144 Ų | 144 | 151.2 Ų | 151.2 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 114.3 | 132.1 | 160.1 | -57.4 | -33.2 | 0 | 0 | 0 | 119.4 | ||||
| 407 | D | 46.2 | Very low | 47.3 | Very low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 67.2 | 81 | 151.3 | -59.6 | -27.5 | 0 | 0 | 0 | 121.9 | ||||
| 408 | I | 48.1 | Very low | 47.4 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | 16.7 | 110.7 | 111.8 | -50 | 172.6 | 0 | 0 | 0 | 116.1 | |||||
| 409 | M | 53.2 | Low | 47.5 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 84% | 0.837 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 124.7 | 143.9 | -82.2 | -167.5 | 68.4 | 0 | 0 | 109.9 | ||||
| 410 | S | 46.2 | Very low | 47.1 | Very low | 100 Ų | 100 | 147.7 Ų | 147.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -112.3 | 128 | 173.1 | -53.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 411 | D | 57.5 | Low | 47.1 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -143.2 | 138.8 | 164.6 | -87.8 | -58.2 | 0 | 0 | 0 | 109.2 | ||||
| 412 | E | 54.1 | Low | 46.6 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -112 | 155.7 | -165.5 | -58.1 | -177.2 | 110 | 0 | 0 | 112.3 | ||||
| 413 | D | 43.6 | Very low | 46.2 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 66.6 | 170 | 153.7 | -87.1 | -43.6 | 0 | 0 | 0 | 119.7 | ||||
| 414 | P | 52.9 | Low | 46.3 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -127.3 | 168.1 | -4.2 | 18.4 | 6.4 | 0 | 0 | 0 | 117.3 | ||||
| 415 | V | 44.8 | Very low | 45.7 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -44.5 | 140.7 | 164.4 | -165.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 416 | E | 51.6 | Low | 45.5 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -119.5 | 142 | 155.8 | -160.3 | 175.9 | -164.3 | 0 | 0 | 111.9 | ||||
| 417 | R | 44.6 | Very low | 45.2 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -145.2 | 112 | -165.9 | 171.4 | -156.9 | -178.5 | 98 | -3.3 | 110.2 | ||||
| 418 | A | 44.1 | Very low | 44.8 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -158.2 | 108.1 | 161 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 419 | H | 44.4 | Very low | 44.6 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | 53.4 | 133.6 | 129.3 | -61.8 | -73.4 | 0 | 0 | 0 | 123.4 | |||||
| 420 | A | 37 | Very low | 43.9 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -94.1 | 156.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 421 | V | 42.4 | Very low | 44.2 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -143.2 | 137.1 | 154.8 | -165.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 422 | S | 36.4 | Very low | 43.3 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -85 | 167.5 | 175.6 | -70 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 423 | S | 39.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 109.4 | 106.1 | 147.8 | -53.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 424 | S | 40.9 | Very low | 42.4 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | 71.4 | 128.2 | 128.4 | -56.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 425 | N | 39 | Very low | 41.6 | Very low | 139 Ų | 139 | 155.9 Ų | 155.9 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | 73.2 | 98.2 | 145.3 | -164.8 | 23.2 | 0 | 0 | 0 | 118.3 | ||||
| 426 | R | 41.5 | Very low | 41.2 | Very low | 243 Ų | 243 | 159.2 Ų | 159.2 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -160.5 | 147.7 | 136.5 | -110.1 | 156.1 | -172 | -114.4 | -1.2 | 112.5 | ||||
| 427 | Q | 41.8 | Very low | 40.7 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -78 | 169.7 | -178.7 | -62.1 | 111.8 | -32.5 | 0 | 0 | 113.3 | ||||
| 428 | A | 37.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 157.4 Ų | 157.4 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | trans | 70.5 | 118 | 159.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 429 | I | 42.7 | Very low | 40 | Very low | 168 Ų | 168 | 158.8 Ų | 158.8 | 86% | 0.862 | 83% | 0.826 | S | S | * | * | -171.6 | 120.5 | 115.6 | -88.7 | 148.3 | 0 | 0 | 0 | 107.1 | |||||
| 430 | M | 38.8 | Very low | 39.7 | Very low | 178 Ų | 178 | 162.7 Ų | 162.7 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -89.5 | 135 | 174.5 | -80.4 | -75.3 | -169.8 | 0 | 0 | 110.2 | H432 | M430-H432 PolarHBondContact O-N 3.43Š| ||
| 431 | P | 53.6 | Low | 39.6 | Very low | 120 Ų | 120 | 169.9 Ų | 169.9 | 78% | 0.779 | 84% | 0.841 | S | S | * | * | trans | -81.8 | 97.2 | 166.3 | 23.5 | -14.8 | 0 | 0 | 0 | 110.2 | R433 | P431-R433 PolarHBondContact O-N 3.21Š| ||
| 432 | H | 37.8 | Very low | 39.4 | Very low | 169 Ų | 169 | 169.2 Ų | 169.2 | 78% | 0.782 | 84% | 0.837 | S | S | * | * | trans | -76.9 | 84.8 | -179.5 | -168 | -76.8 | 0 | 0 | 0 | 111.7 | M430 | M430-H432 PolarHBondContact O-N 3.43Š| ||
| 433 | R | 43.1 | Very low | 39.6 | Very low | 225 Ų | 225 | 169.5 Ų | 169.5 | 85% | 0.849 | 84% | 0.839 | S | S | * | * | trans | -156.1 | 70.4 | 177.1 | -159.8 | 175.8 | -170.4 | 161 | 3.4 | 114.8 | P431 | P431-R433 PolarHBondContact O-N 3.21Š| ||
| 434 | Y | 35.4 | Very low | 39.5 | Very low | 234 Ų | 234 | 174.1 Ų | 174.1 | 92% | 0.918 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -176.3 | 59.5 | 145.4 | -117.3 | -81.8 | 0 | 0 | 0 | 112.1 | ||
| 435 | Q | 36 | Very low | 39.5 | Very low | 177 Ų | 177 | 174.6 Ų | 174.6 | 83% | 0.827 | 85% | 0.847 | S | S | * | * | trans | -144.5 | 62.1 | 175.7 | -161.3 | 166 | 11.2 | 0 | 0 | 112.2 | ||||
| 436 | E | 38.2 | Very low | 39.5 | Very low | 194 Ų | 194 | 173.3 Ų | 173.3 | 91% | 0.907 | 84% | 0.844 | S | S | * | * | trans | -149.6 | 50.3 | -176.6 | -137.4 | 171.8 | -159.1 | 0 | 0 | 113.5 | ||||
| 437 | M | 39.1 | Very low | 39.5 | Very low | 177 Ų | 177 | 170.1 Ų | 170.1 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -135.6 | 9.7 | 166.6 | -73 | -158.8 | -171.9 | 0 | 0 | 114.6 | ||
| 438 | H | 37.5 | Very low | 39.5 | Very low | 194 Ų | 194 | 169.9 Ų | 169.9 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -124.3 | 68.5 | 179.1 | -70.6 | -16.5 | 0 | 0 | 0 | 111.3 | ||
| 439 | S | 36.6 | Very low | 39.7 | Very low | 118 Ų | 118 | 177 Ų | 177 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -160.3 | 23.3 | 169.7 | -122.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 440 | R | 38 | Very low | 39.4 | Very low | 251 Ų | 251 | 178.5 Ų | 178.5 | 95% | 0.947 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -140 | 57.3 | 177.3 | -71 | -166.2 | 178.4 | -164.1 | 0.9 | 113.5 | ||
| 441 | R | 36.4 | Very low | 39.4 | Very low | 246 Ų | 246 | 176 Ų | 176 | 93% | 0.928 | 84% | 0.836 | S | S | * | * | trans | -159.4 | 46 | 164.2 | -128.7 | 176.4 | -167.2 | -140.3 | 0.3 | 116.1 | ||||
| 442 | T | 37.3 | Very low | 38.7 | Very low | 138 Ų | 138 | 179.1 Ų | 179.1 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | trans | -141.9 | 64.7 | 176.5 | 52 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 443 | S | 40.5 | Very low | 38.9 | Very low | 111 Ų | 111 | 176.3 Ų | 176.3 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | trans | -173.9 | 68.4 | 165.4 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 444 | Q | 38 | Very low | 38.3 | Very low | 202 Ų | 202 | 177 Ų | 177 | 94% | 0.944 | 84% | 0.842 | S | S | * | * | trans | -157.4 | 107.5 | 152.7 | -114.9 | 160.1 | 17.1 | 0 | 0 | 108.8 | ||||
| 445 | T | 40.2 | Very low | 38.6 | Very low | 125 Ų | 125 | 177.3 Ų | 177.3 | 77% | 0.767 | 84% | 0.842 | S | S | * | * | trans | -107.6 | 157.4 | -176.7 | 48 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 446 | V | 40.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 174 Ų | 174 | 68% | 0.679 | 84% | 0.838 | S | S | * | * | trans | 83.3 | 134.9 | 162.7 | -165.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 447 | E | 40.2 | Very low | 38.9 | Very low | 175 Ų | 175 | 173.3 Ų | 173.3 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | 57.3 | 108.9 | 166.1 | -72.6 | 147.6 | 175.9 | 0 | 0 | 116.5 | ||||
| 448 | D | 43.2 | Very low | 39 | Very low | 163 Ų | 163 | 169.9 Ų | 169.9 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | -148.6 | 132.9 | 74.2 | -97.7 | -38.2 | 0 | 0 | 0 | 114.7 | |||||
| 449 | R | 41.4 | Very low | 38.9 | Very low | 240 Ų | 240 | 165.5 Ų | 165.5 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -107.4 | 116 | 158.5 | -82.1 | 179.5 | 173.9 | 164 | -3 | 107.9 | ||||
| 450 | Y | 36 | Very low | 39.1 | Very low | 199 Ų | 199 | 172 Ų | 172 | 78% | 0.78 | 83% | 0.828 | S | S | * | * | trans | -150.5 | 102.5 | 148.9 | -135 | -95.7 | 0 | 0 | 0 | 113 | ||||
| 451 | I | 37.9 | Very low | 39.1 | Very low | 125 Ų | 125 | 165.4 Ų | 165.4 | 64% | 0.641 | 82% | 0.821 | S | S | * | * | trans | 13.9 | 123.8 | 132.3 | -51.9 | 166.7 | 0 | 0 | 0 | 114.8 | ||||
| 452 | H | 40.5 | Very low | 39.3 | Very low | 186 Ų | 186 | 164.4 Ų | 164.4 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -145.9 | 134.6 | 130.5 | -110.1 | 48.9 | 0 | 0 | 0 | 111.2 | ||||
| 453 | S | 40.6 | Very low | 39.4 | Very low | 110 Ų | 110 | 167.8 Ų | 167.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -83.1 | 157.1 | -163.8 | -167.7 | 0 | 0 | 0 | 0 | 113.3 | R455 | S453-R455 PolarHBondContact O-N 3.18Š| ||
| 454 | R | 31.4 | Very low | 39.4 | Very low | 240 Ų | 240 | 169.4 Ų | 169.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -53.9 | 133.5 | 166.5 | -64.5 | -179.4 | 179.7 | -174.1 | 1.7 | 109.9 | ||||
| 455 | R | 41.5 | Very low | 39.7 | Very low | 241 Ų | 241 | 167.3 Ų | 167.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -135.7 | 112.8 | 150.4 | -91.9 | -168.6 | 173.4 | -153.4 | -3.1 | 108.5 | S453 | S453-R455 PolarHBondContact O-N 3.18Š| ||
| 456 | S | 36.2 | Very low | 39.8 | Very low | 108 Ų | 108 | 168 Ų | 168 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -69 | 142.7 | 159.8 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 457 | M | 44.4 | Very low | 39.9 | Very low | 178 Ų | 178 | 168.3 Ų | 168.3 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -143.8 | 130.2 | 157.8 | -91.1 | -63.5 | 100.1 | 0 | 0 | 109.2 | ||||
| 458 | S | 40.8 | Very low | 40.2 | Very low | 105 Ų | 105 | 167.5 Ų | 167.5 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -55.6 | 138.2 | -169.2 | -164 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 459 | S | 36.1 | Very low | 40.2 | Very low | 103 Ų | 103 | 165 Ų | 165 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 32.4 | 108.1 | 131.9 | -46.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 460 | R | 40.6 | Very low | 40 | Very low | 254 Ų | 254 | 162.6 Ų | 162.6 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | -159.7 | 132.9 | 129.3 | -120.1 | 170.1 | 177.1 | 175.2 | -1.7 | 113.9 | |||||
| 461 | S | 37.5 | Very low | 40.7 | Very low | 112 Ų | 112 | 163.6 Ų | 163.6 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -70 | 133.3 | 173.8 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 462 | Y | 39.9 | Very low | 40.8 | Very low | 225 Ų | 225 | 165.6 Ų | 165.6 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | trans | -153.4 | 151.5 | 144.9 | -137.8 | -99.8 | 0 | 0 | 0 | 111.8 | ||||
| 463 | R | 40.7 | Very low | 40.8 | Very low | 209 Ų | 209 | 164.5 Ų | 164.5 | 79% | 0.789 | 84% | 0.836 | S | S | * | * | trans | -79.1 | 169.2 | -176.1 | -65.2 | 179.1 | 174 | -170.9 | -1 | 112.4 | ||||
| 464 | H | 41.2 | Very low | 40.8 | Very low | 145 Ų | 145 | 167.5 Ų | 167.5 | 67% | 0.671 | 84% | 0.84 | S | S | * | * | trans | 101.5 | 129.9 | 146.4 | -88.2 | -82.4 | 0 | 0 | 0 | 121.3 | ||||
| 465 | H | 43.1 | Very low | 41.4 | Very low | 159 Ų | 159 | 163.2 Ų | 163.2 | 74% | 0.736 | 84% | 0.836 | S | S | * | * | trans | 82 | 102.7 | 154.4 | -68 | -60.3 | 0 | 0 | 0 | 121.5 | ||||
| 466 | D | 43.4 | Very low | 41.4 | Very low | 140 Ų | 140 | 158.4 Ų | 158.4 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | -49.9 | 128.1 | 150.9 | 176.5 | -6.7 | 0 | 0 | 0 | 112.6 | D468 | D466-D468 PolarHBondContact OD1-N 3.23Å; D466-D468 VanDerWaalsContact OD1-N 3.11Å | ||
| 467 | P | 42.3 | Very low | 41.7 | Very low | 117 Ų | 117 | 161.7 Ų | 161.7 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | trans | -125.2 | 61.1 | 172.7 | 41.3 | -26.5 | 0 | 0 | 0 | 113.5 | ||||
| 468 | D | 45.6 | Very low | 41.6 | Very low | 159 Ų | 159 | 160.6 Ų | 160.6 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | trans | -128.1 | 33.1 | 165.8 | -108.1 | -30 | 0 | 0 | 0 | 114.2 | D466 | D466-D468 PolarHBondContact OD1-N 3.23Å; D466-D468 VanDerWaalsContact OD1-N 3.11Å | ||
| 469 | S | 43 | Very low | 41.6 | Very low | 111 Ų | 111 | 164.8 Ų | 164.8 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | trans | -107.9 | 73.3 | 167.2 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 470 | M | 37.2 | Very low | 42.1 | Very low | 188 Ų | 188 | 170 Ų | 170 | 93% | 0.926 | 85% | 0.852 | S | S | * | * | trans | -177.9 | 82.1 | 149.3 | -85.2 | -136.2 | 178.7 | 0 | 0 | 112.7 | ||||
| 471 | V | 50.4 | Low | 42.2 | Very low | 221 Ų | 221 | 162.4 Ų | 162.4 | 100% | 1.339 | 84% | 0.842 | S | S | * | * | trans | -145.1 | 0 | 145.3 | -178.9 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 471 of 471 residues in 377.5 ms
(Link to these results)