| 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 | 34.5 | Very low | 31.6 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 100% | 1.187 | 81% | 0.807 | S | S | * | * | 0 | 100.5 | 0 | -80.6 | 173.1 | 155.3 | 0 | 0 | 108.2 | |||||
| 2 | S | 29.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -79.3 | 114 | 177.1 | 34.9 | 0 | 0 | 0 | 0 | 109.1 | V4 | S2-V4 PolarHBondContact O-N 3.25Å; S2-V4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | I | 30.4 | Very low | 31.1 | Very low | 158 Ų | 158 | 153 Ų | 153 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -73.8 | 100.1 | 177.5 | -54.3 | 167.2 | 0 | 0 | 0 | 106.4 | L5 | I3-L5 PolarHBondContact O-N 3.02Å; I3-L5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | V | 32 | Very low | 31.1 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -63.7 | 113.5 | 171.1 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | S2 E6 | S2-V4 PolarHBondContact O-N 3.25Å; S2-V4 VanDerWaalsContact O-N 3.08Å; V4-E6 PolarHBondContact O-N 3.11Å | ||
| 5 | L | 33.7 | Very low | 31.4 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -60.1 | 104.6 | 173.1 | -75.7 | 163.4 | 0 | 0 | 0 | 107.7 | I3 S7 | I3-L5 PolarHBondContact O-N 3.02Å; I3-L5 VanDerWaalsContact O-N 3.16Å; L5-S7 PolarHBondContact O-N 3.09Å; L5-S7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | E | 30.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -47.5 | 117.1 | 176.7 | -141.2 | 172.3 | -171.1 | 0 | 0 | 109.3 | V4 Q8 | V4-E6 PolarHBondContact O-N 3.11Å; E6-Q8 PolarHBondContact O-N 3.36Å | ||
| 7 | S | 33.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -59.1 | 101.6 | -178 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | L5 P9 | L5-S7 PolarHBondContact O-N 3.09Å; L5-S7 VanDerWaalsContact O-N 3.15Å; S7-P9 WeakPolarHBondContact O-CD 3.49Å; S7-P9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | Q | 30.5 | Very low | 31.6 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 113.1 | 174.9 | -71.2 | -84.2 | -51.3 | 0 | 0 | 109 | E6 | E6-Q8 PolarHBondContact O-N 3.36Š| ||
| 9 | P | 30.9 | Very low | 32 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -80.6 | 125.2 | -177.6 | 32.8 | -29.5 | 0 | 0 | 0 | 109 | S7 | S7-P9 WeakPolarHBondContact O-CD 3.49Å; S7-P9 VanDerWaalsContact O-N 3.15Å | ||
| 10 | Y | 33.2 | Very low | 32.3 | Very low | 214 Ų | 214 | 146.5 Ų | 146.5 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 59.3 | 91.7 | 166 | -48.1 | -75.3 | 0 | 0 | 0 | 116.6 | I12 | Y10-I12 PolarHBondContact O-N 2.99Š| ||
| 11 | A | 29.6 | Very low | 32.2 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | trans | -66.6 | 103.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109 | Y13 | A11-Y13 HydrophobicContact CB-CE2 4.04Å; A11-Y13 VanDerWaalsContact O-CD2 3.27Å; A11-Y13 WeakPolarHBondContact O-CD2 3.41Å; A11-Y13 PolarHBondContact O-N 2.91Å; A11-Y13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | I | 28.3 | Very low | 32.1 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | -74.4 | 98.3 | 171.5 | -59.8 | 173.3 | 0 | 0 | 0 | 107.1 | Y10 P14 | Y10-I12 PolarHBondContact O-N 2.99Å; I12-P14 WeakPolarHBondContact O-CD 3.34Å | ||
| 13 | Y | 27.8 | Very low | 32.2 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -69.1 | 124.6 | 172 | -65.3 | -86.1 | 0 | 0 | 0 | 108.9 | A11 I15 | A11-Y13 HydrophobicContact CB-CE2 4.04Å; A11-Y13 VanDerWaalsContact O-CD2 3.27Å; A11-Y13 WeakPolarHBondContact O-CD2 3.41Å; A11-Y13 PolarHBondContact O-N 2.91Å; A11-Y13 VanDerWaalsContact O-N 3.1Å; Y13-I15 PolarHBondContact O-N 3.12Å | ||
| 14 | P | 31.7 | Very low | 32.2 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | trans | -60.4 | 116.7 | 168.1 | 23.6 | -29.7 | 0 | 0 | 0 | 107.6 | I12 V16 | I12-P14 WeakPolarHBondContact O-CD 3.34Å; P14-V16 PolarHBondContact O-N 3.02Å | ||
| 15 | I | 34.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -66.7 | 87.3 | 170.3 | -59.2 | 172.1 | 0 | 0 | 0 | 105.8 | Y13 F17 | Y13-I15 PolarHBondContact O-N 3.12Å; I15-F17 VanDerWaalsContact C-N 3.28Å; I15-F17 HydrophobicContact CG2-CD2 4.1Å; I15-F17 HydrophobicContact CG2-CE2 4.46Å; I15-F17 PolarHBondContact O-N 3.2Å | ||
| 16 | V | 33.9 | Very low | 32 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | trans | -68.4 | 97.4 | 168 | -178.2 | 0 | 0 | 0 | 0 | 105.3 | P14 N18 | P14-V16 PolarHBondContact O-N 3.02Å; V16-N18 VanDerWaalsContact C-N 3.28Å; V16-N18 PolarHBondContact O-N 3.08Å | ||
| 17 | F | 31 | Very low | 32 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -59 | 98.3 | 167.7 | -115.2 | -90.2 | 0 | 0 | 0 | 106.4 | I15 P19 | I15-F17 VanDerWaalsContact C-N 3.28Å; I15-F17 HydrophobicContact CG2-CD2 4.1Å; I15-F17 HydrophobicContact CG2-CE2 4.46Å; I15-F17 PolarHBondContact O-N 3.2Å; F17-P19 WeakPolarHBondContact O-CD 3.3Å | ||
| 18 | N | 34.2 | Very low | 31.7 | Very low | 83 Ų | 83 | 148.3 Ų | 148.3 | 44% | 0.444 | 74% | 0.735 | S | S | . | * | trans | -73.1 | 108 | 171.3 | -172.2 | -8.4 | 0 | 0 | 0 | 106.4 | V16 Y20 K21 | V16-N18 VanDerWaalsContact C-N 3.28Å; V16-N18 PolarHBondContact O-N 3.08Å; N18-Y20 PolarHBondContact O-N 3.24Å; N18-Y20 WeakPolarHBondContact OD1-CD2 3.41Å; N18-Y20 PolarHBondContact OD1-N 3.03Å; N18-K21 PolarHBondContact O-N 3.03Å; N18-K21 VanDerWaalsContact O-N 3.12Å | ||
| 19 | P | 39 | Very low | 31.5 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -7.8 | -176.5 | 27.7 | -34.4 | 0 | 0 | 0 | 112.8 | F17 | F17-P19 WeakPolarHBondContact O-CD 3.3Š|
| 20 | Y | 37.1 | Very low | 31.3 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 1.1 | 178.2 | -56.6 | -70.9 | 0 | 0 | 0 | 114.9 | N18 V22 | N18-Y20 PolarHBondContact O-N 3.24Å; N18-Y20 WeakPolarHBondContact OD1-CD2 3.41Å; N18-Y20 PolarHBondContact OD1-N 3.03Å; Y20-V22 PolarHBondContact O-N 3.24Å |
| 21 | K | 30 | Very low | 31.1 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -77.2 | 74.2 | 169.1 | -89 | -173.1 | 174.8 | 179.8 | 0 | 109.7 | N18 | N18-K21 PolarHBondContact O-N 3.03Å; N18-K21 VanDerWaalsContact O-N 3.12Å | ||
| 22 | V | 32.4 | Very low | 31.1 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | trans | -61.9 | 126.9 | 160.4 | -174.9 | 0 | 0 | 0 | 0 | 106.4 | Y20 S24 | Y20-V22 PolarHBondContact O-N 3.24Å; V22-S24 PolarHBondContact O-N 3.1Å | ||
| 23 | P | 33.3 | Very low | 31.2 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 51% | 0.513 | 73% | 0.732 | S | S | . | * | trans | -54.5 | 116.5 | 173.6 | 17 | -26.2 | 0 | 0 | 0 | 108.1 | Y25 | P23-Y25 HydrophobicContact CB-CE2 4.25Å; P23-Y25 HydrophobicContact CG-CE2 3.81Å; P23-Y25 VanDerWaalsContact O-CD2 3.24Å; P23-Y25 WeakPolarHBondContact O-CD2 3.4Å; P23-Y25 PolarHBondContact O-N 2.9Å | ||
| 24 | S | 29.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -66.8 | 88.5 | 171.4 | 59.2 | 0 | 0 | 0 | 0 | 106.9 | V22 K26 | V22-S24 PolarHBondContact O-N 3.1Å; S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.31Å | ||
| 25 | Y | 31.9 | Very low | 31 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -59.6 | 106.7 | 162.8 | -62.1 | -81.7 | 0 | 0 | 0 | 105.4 | P23 R27 | P23-Y25 HydrophobicContact CB-CE2 4.25Å; P23-Y25 HydrophobicContact CG-CE2 3.81Å; P23-Y25 VanDerWaalsContact O-CD2 3.24Å; P23-Y25 WeakPolarHBondContact O-CD2 3.4Å; P23-Y25 PolarHBondContact O-N 2.9Å; Y25-R27 PolarHBondContact O-N 3.44Å | ||
| 26 | K | 30.1 | Very low | 30.6 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -58.9 | 95.6 | 162.3 | -75.5 | -176.3 | 177.9 | -178 | 0 | 104.9 | S24 L28 | S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.31Å; K26-L28 VanDerWaalsContact C-N 3.3Å; K26-L28 PolarHBondContact O-N 3.25Å | ||
| 27 | R | 29.1 | Very low | 30.3 | Very low | 234 Ų | 234 | 148.8 Ų | 148.8 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -61.3 | 104.9 | 165 | -76.9 | -174.2 | -168.8 | 176.4 | 2.8 | 104.6 | Y25 A29 | Y25-R27 PolarHBondContact O-N 3.44Å; R27-A29 PolarHBondContact O-N 3.45Å | ||
| 28 | L | 26.7 | Very low | 30.1 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | trans | -62.5 | 85.7 | 155.8 | -67.3 | 167.9 | 0 | 0 | 0 | 104.4 | K26 T30 | K26-L28 VanDerWaalsContact C-N 3.3Å; K26-L28 PolarHBondContact O-N 3.25Å; L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 2.85Å | ||
| 29 | A | 27.4 | Very low | 29.8 | Very low | 60 Ų | 60 | 152.4 Ų | 152.4 | 50% | 0.496 | 77% | 0.768 | S | S | . | * | trans | -67.7 | 100.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 104.7 | R27 F31 | R27-A29 PolarHBondContact O-N 3.45Å; A29-F31 HydrophobicContact CB-CD2 4.3Å; A29-F31 HydrophobicContact CB-CE2 4.09Å; A29-F31 VanDerWaalsContact O-CD2 3.23Å; A29-F31 WeakPolarHBondContact O-CD2 3.36Å; A29-F31 PolarHBondContact O-N 2.84Å | ||
| 30 | T | 27.1 | Very low | 29.3 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -58.2 | 94.5 | 155.9 | 33.8 | 0 | 0 | 0 | 0 | 105.7 | L28 S32 | L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 2.85Å; T30-S32 PolarHBondContact O-N 3.31Å | ||
| 31 | F | 27.4 | Very low | 29.1 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | trans | -63.3 | 107.6 | 172.9 | -78.9 | -88.8 | 0 | 0 | 0 | 106.8 | A29 | A29-F31 HydrophobicContact CB-CD2 4.3Å; A29-F31 HydrophobicContact CB-CE2 4.09Å; A29-F31 VanDerWaalsContact O-CD2 3.23Å; A29-F31 WeakPolarHBondContact O-CD2 3.36Å; A29-F31 PolarHBondContact O-N 2.84Å | ||
| 32 | S | 30.6 | Very low | 29 | Very low | 94 Ų | 94 | 152.6 Ų | 152.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -69.6 | 129.9 | 159.6 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | T30 I34 | T30-S32 PolarHBondContact O-N 3.31Å; S32-I34 PolarHBondContact O-N 3.03Å | ||
| 33 | D | 29.2 | Very low | 28.9 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -56.6 | 79.6 | -171.2 | -58.7 | -62.7 | 0 | 0 | 0 | 115.1 | ||
| 34 | I | 28.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | trans | -127.7 | 110.5 | 168.4 | -52.9 | 178.4 | 0 | 0 | 0 | 109.1 | S32 F36 | S32-I34 PolarHBondContact O-N 3.03Å; I34-F36 PolarHBondContact O-N 3.22Å | ||
| 35 | P | 28 | Very low | 28.6 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -66.5 | 118.8 | 179.3 | 24.7 | -30.7 | 0 | 0 | 0 | 110.2 | K37 | P35-K37 PolarHBondContact O-N 3.01Š| ||
| 36 | F | 26.1 | Very low | 28.5 | Very low | 204 Ų | 204 | 153.8 Ų | 153.8 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -66.6 | 116.2 | 169.3 | -107.2 | -98.3 | 0 | 0 | 0 | 108.7 | I34 E38 | I34-F36 PolarHBondContact O-N 3.22Å; F36-E38 PolarHBondContact O-N 3.3Å | ||
| 37 | K | 27.6 | Very low | 28.4 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -66.2 | 110.8 | 167.6 | -80.9 | 179.6 | 174 | 178.7 | 0 | 108.6 | P35 L39 | P35-K37 PolarHBondContact O-N 3.01Å; K37-L39 PolarHBondContact O-N 2.97Å | ||
| 38 | E | 27.5 | Very low | 28.5 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -61.4 | 118.7 | 168.5 | -82.6 | 179.1 | 148.5 | 0 | 0 | 109.6 | F36 H40 | F36-E38 PolarHBondContact O-N 3.3Å; E38-H40 PolarHBondContact O-N 2.93Å | ||
| 39 | L | 27.4 | Very low | 28.7 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -77.8 | 108.9 | 169.9 | -102 | 142.7 | 0 | 0 | 0 | 108.2 | K37 E41 | K37-L39 PolarHBondContact O-N 2.97Å; L39-E41 PolarHBondContact O-N 3.34Å; L39-E41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | H | 28.8 | Very low | 28.9 | Very low | 171 Ų | 171 | 147 Ų | 147 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -65.6 | 99.6 | 168.8 | -79.8 | -82.4 | 0 | 0 | 0 | 110 | E38 | E38-H40 PolarHBondContact O-N 2.93Š| ||
| 41 | E | 31.5 | Very low | 29 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -91.4 | 106.3 | 162.9 | -80.1 | -173.8 | 169.5 | 0 | 0 | 109.2 | L39 S43 | L39-E41 PolarHBondContact O-N 3.34Å; L39-E41 VanDerWaalsContact O-N 3.11Å; E41-S43 PolarHBondContact O-N 3.34Å | ||
| 42 | T | 28.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 149 Ų | 149 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -74.2 | 96.4 | 172.2 | 37.7 | 0 | 0 | 0 | 0 | 109.9 | T44 | T42-T44 PolarHBondContact O-N 3.19Š| ||
| 43 | S | 31 | Very low | 29.2 | Very low | 116 Ų | 116 | 155.4 Ų | 155.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -86 | 105.8 | 170.2 | 69.2 | 0 | 0 | 0 | 0 | 110.1 | E41 | E41-S43 PolarHBondContact O-N 3.34Š| ||
| 44 | T | 28.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -64 | 125.6 | 172.5 | 41.5 | 0 | 0 | 0 | 0 | 111.9 | T42 | T42-T44 PolarHBondContact O-N 3.19Š| ||
| 45 | D | 28.1 | Very low | 29.4 | Very low | 134 Ų | 134 | 155.6 Ų | 155.6 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | -84 | 105.5 | 179 | -139.8 | -8.8 | 0 | 0 | 0 | 109.4 | H47 | D45-H47 PolarHBondContact O-N 3.13Å; D45-H47 IonicContact OD2-NE2 3.97Å | ||
| 46 | N | 30.6 | Very low | 29.5 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -93.2 | 92.2 | 178.4 | -75.8 | -28.4 | 0 | 0 | 0 | 109.7 | S48 | N46-S48 PolarHBondContact O-N 2.8Š| ||
| 47 | H | 27.5 | Very low | 29.8 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -79.4 | 101.5 | 163.7 | -67.5 | -62.7 | 0 | 0 | 0 | 109.6 | D45 | D45-H47 PolarHBondContact O-N 3.13Å; D45-H47 IonicContact OD2-NE2 3.97Å | ||
| 48 | S | 31.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 153.1 Ų | 153.1 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -104.5 | 117.9 | 162.9 | 87.3 | 0 | 0 | 0 | 0 | 110.2 | N46 | N46-S48 PolarHBondContact O-N 2.8Š| ||
| 49 | S | 30.4 | Very low | 29.9 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 92.7 | -177 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | K51 | S49-K51 PolarHBondContact O-N 3.17Š| ||
| 50 | D | 32.7 | Very low | 29.9 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -88.3 | 93.4 | 176.4 | -74.2 | -20.2 | 0 | 0 | 0 | 110.7 | I52 | D50-I52 PolarHBondContact O-N 3.22Š| ||
| 51 | K | 29.3 | Very low | 29.9 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -72.5 | 100.2 | 160.1 | -80.9 | 176.9 | 175.1 | 176 | 0 | 108.3 | S49 | S49-K51 PolarHBondContact O-N 3.17Š| ||
| 52 | I | 34 | Very low | 29.8 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -104.9 | 123.9 | 168.8 | -59.7 | 178.1 | 0 | 0 | 0 | 109.2 | D50 | D50-I52 PolarHBondContact O-N 3.22Š| ||
| 53 | R | 28.6 | Very low | 29.8 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -49.7 | 142.8 | -179.4 | -107.9 | 164.5 | 160.6 | 157 | -7.3 | 113.7 | E55 | R53-E55 PolarHBondContact O-N 3.47Š| ||
| 54 | L | 26.5 | Very low | 30 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -54.5 | 123.8 | 155.2 | -98.6 | 78.6 | 0 | 0 | 0 | 109.4 | ||||
| 55 | E | 34.3 | Very low | 30.3 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -128.4 | 118.3 | 157.6 | -82.2 | -108.1 | 154.5 | 0 | 0 | 107.4 | R53 Y57 | R53-E55 PolarHBondContact O-N 3.47Å; E55-Y57 HydrophobicContact CB-CD2 4.45Å; E55-Y57 HydrophobicContact CB-CE2 4.43Å; E55-Y57 PolarHBondContact O-N 3.01Å; E55-Y57 WeakPolarHBondContact OE2-CE2 3.17Å | ||
| 56 | D | 29.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -71.2 | 107.8 | 177.3 | -68.7 | -47.8 | 0 | 0 | 0 | 110.1 | ||||
| 57 | Y | 31.9 | Very low | 30.8 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -123.4 | 102.3 | 163.2 | -79.6 | -77 | 0 | 0 | 0 | 111.6 | E55 | E55-Y57 HydrophobicContact CB-CD2 4.45Å; E55-Y57 HydrophobicContact CB-CE2 4.43Å; E55-Y57 PolarHBondContact O-N 3.01Å; E55-Y57 WeakPolarHBondContact OE2-CE2 3.17Å | ||
| 58 | S | 26.5 | Very low | 31.5 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -55.2 | 119 | 152.7 | 163.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 59 | A | 31.3 | Very low | 32.4 | Very low | 96 Ų | 96 | 145 Ų | 145 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -169.2 | 131.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 60 | K | 27.8 | Very low | 33.4 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -42.8 | 148.3 | 172.3 | -68.8 | 168.4 | 174.9 | 178.2 | 0 | 115.7 | ||||
| 61 | D | 29.3 | Very low | 34.1 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 58 | 81.4 | 141.8 | -55.9 | -25.4 | 0 | 0 | 0 | 118.2 | ||||
| 62 | S | 29.2 | Very low | 35 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -160.4 | 99.3 | 139.4 | -6.3 | 0 | 0 | 0 | 0 | 109.6 | S64 | S62-S64 PolarHBondContact O-N 3.01Š| ||
| 63 | S | 28.8 | Very low | 35.9 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 93% | 0.93 | 72% | 0.72 | S | S | * | * | trans | -72.1 | 66 | 168.3 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 64 | S | 33.7 | Very low | 37 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | trans | -83 | 123.5 | 158.5 | 68.1 | 0 | 0 | 0 | 0 | 106.2 | S62 C66 | S62-S64 PolarHBondContact O-N 3.01Å; S64-C66 PolarHBondContact O-N 2.94Å; S64-C66 PolarHBondContact OG-SG 3.47Å | ||
| 65 | L | 34.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 93% | 0.932 | 70% | 0.699 | S | S | * | * | trans | -63.7 | 67.3 | 163.8 | -87.6 | 152.6 | 0 | 0 | 0 | 107.9 | L67 | L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 2.92Å | ||
| 66 | C | 34.2 | Very low | 39.3 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | trans | -66.5 | 97.5 | 163.1 | -86.4 | 0 | 0 | 0 | 0 | 105.5 | S64 N68 | S64-C66 PolarHBondContact O-N 2.94Å; S64-C66 PolarHBondContact OG-SG 3.47Å; C66-N68 VanDerWaalsContact C-N 3.34Å; C66-N68 PolarHBondContact O-N 2.69Å | ||
| 67 | L | 36 | Very low | 40.9 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | trans | -48.4 | 108.7 | 158 | -75.5 | 166.6 | 0 | 0 | 0 | 105.9 | L65 E69 V72 | L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 2.92Å; L67-E69 PolarHBondContact O-N 3.3Å; L67-E69 VanDerWaalsContact O-N 3.08Å; L67-V72 HydrophobicContact CB-CG2 4.09Å | ||
| 68 | N | 42.2 | Very low | 42.1 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 58% | 0.578 | 65% | 0.653 | S | S | * | * | trans | -39.4 | 122.5 | 177.4 | -90.9 | -23 | 0 | 0 | 0 | 108.8 | C66 S70 N71 V72 | C66-N68 VanDerWaalsContact C-N 3.34Å; C66-N68 PolarHBondContact O-N 2.69Å; N68-S70 PolarHBondContact O-N 2.96Å; N68-N71 WeakPolarHBondContact O-CB 3.47Å; N68-N71 PolarHBondContact O-N 3.44Å; N68-V72 PolarHBondContact O-N 3.14Å | ||
| 69 | E | 49.4 | Very low | 43.4 | Very low | 167 Ų | 167 | 116.3 Ų | 116.3 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -51.3 | -28.4 | -178.1 | -78.8 | -174.5 | 132.5 | 0 | 0 | 112.2 | L67 N71 V72 R73 | L67-E69 PolarHBondContact O-N 3.3Å; L67-E69 VanDerWaalsContact O-N 3.08Å; E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 PolarHBondContact O-N 3Å; E69-V72 PolarHBondContact O-N 3.45Å; E69-R73 PolarHBondContact O-N 2.97Å |
| 70 | S | 52.3 | Low | 45 | Very low | 65 Ų | 65 | 118.7 Ų | 118.7 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -59.8 | -38.2 | 173.6 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | N68 K74 | N68-S70 PolarHBondContact O-N 2.96Å; S70-K74 VanDerWaalsContact O-CG 3.29Å; S70-K74 WeakPolarHBondContact O-CG 3.26Å; S70-K74 PolarHBondContact O-N 3.32Å |
| 71 | N | 47 | Very low | 46.6 | Very low | 66 Ų | 66 | 118.7 Ų | 118.7 | 35% | 0.353 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.8 | -41 | 176.7 | -74.4 | -20.3 | 0 | 0 | 0 | 111.4 | N68 E69 R73 K74 Y75 | N68-N71 WeakPolarHBondContact O-CB 3.47Å; N68-N71 PolarHBondContact O-N 3.44Å; E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 PolarHBondContact O-N 3Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.92Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.21Å; N71-K74 VanDerWaalsContact O-N 3.14Å; N71-Y75 WeakPolarHBondContact O-CD2 3.4Å; N71-Y75 PolarHBondContact O-N 2.8Å |
| 72 | V | 47.7 | Very low | 48 | Very low | 80 Ų | 80 | 116.8 Ų | 116.8 | 49% | 0.485 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.5 | -42.7 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | L67 N68 E69 Y75 S76 | L67-V72 HydrophobicContact CB-CG2 4.09Å; N68-V72 PolarHBondContact O-N 3.14Å; E69-V72 PolarHBondContact O-N 3.45Å; V72-Y75 PolarHBondContact O-N 3.29Å; V72-S76 WeakPolarHBondContact O-CB 3.46Å; V72-S76 PolarHBondContact O-N 3.48Å |
| 73 | R | 52.6 | Low | 49.3 | Very low | 199 Ų | 199 | 115 Ų | 115 | 75% | 0.751 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63 | -40 | 172.9 | -81.2 | -174.7 | 177.1 | -174.4 | 1.5 | 112.7 | E69 N71 S76 T77 | E69-R73 PolarHBondContact O-N 2.97Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.92Å; R73-S76 PolarHBondContact O-N 3Å; R73-T77 WeakPolarHBondContact O-CB 3.44Å; R73-T77 WeakPolarHBondContact O-CG2 3.41Å; R73-T77 PolarHBondContact O-N 3.13Å; R73-T77 PolarHBondContact O-OG1 2.84Å |
| 74 | K | 52.1 | Low | 51 | Low | 137 Ų | 137 | 113.1 Ų | 113.1 | 60% | 0.596 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.1 | -44.3 | 175.7 | -78.3 | 175 | -177.8 | 178.8 | 0 | 112.2 | S70 N71 T77 A78 | S70-K74 VanDerWaalsContact O-CG 3.29Å; S70-K74 WeakPolarHBondContact O-CG 3.26Å; S70-K74 PolarHBondContact O-N 3.32Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.21Å; N71-K74 VanDerWaalsContact O-N 3.14Å; K74-T77 WeakPolarHBondContact CA-OG1 3.13Å; K74-T77 PolarHBondContact O-N 2.88Å; K74-T77 PolarHBondContact O-OG1 2.97Å; K74-A78 WeakPolarHBondContact O-CB 3.36Å; K74-A78 PolarHBondContact O-N 2.95Å |
| 75 | Y | 45.9 | Very low | 52.7 | Low | 168 Ų | 168 | 113.1 Ų | 113.1 | 66% | 0.659 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.1 | -42.8 | 176.8 | -78.4 | -70.9 | 0 | 0 | 0 | 112.1 | N71 V72 T77 A78 I79 | N71-Y75 WeakPolarHBondContact O-CD2 3.4Å; N71-Y75 PolarHBondContact O-N 2.8Å; V72-Y75 PolarHBondContact O-N 3.29Å; Y75-T77 VanDerWaalsContact C-N 3.33Å; Y75-T77 PolarHBondContact O-N 3.16Å; Y75-A78 PolarHBondContact O-N 3.33Å; Y75-I79 VanDerWaalsContact O-CG1 3.32Å; Y75-I79 WeakPolarHBondContact O-CG1 3.43Å; Y75-I79 PolarHBondContact O-N 3.49Å |
| 76 | S | 63.8 | Low | 54 | Low | 54 Ų | 54 | 109.7 Ų | 109.7 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | V72 R73 I79 K80 | V72-S76 WeakPolarHBondContact O-CB 3.46Å; V72-S76 PolarHBondContact O-N 3.48Å; R73-S76 PolarHBondContact O-N 3Å; S76-I79 PolarHBondContact O-N 3.08Å; S76-K80 WeakPolarHBondContact O-CG 3.36Å; S76-K80 PolarHBondContact O-N 3.36Å |
| 77 | T | 62.9 | Low | 55.5 | Low | 75 Ų | 75 | 108.8 Ų | 108.8 | 46% | 0.46 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69 | -37.9 | 177.8 | 48 | 0 | 0 | 0 | 0 | 112.4 | R73 K74 Y75 K80 R81 | R73-T77 WeakPolarHBondContact O-CB 3.44Å; R73-T77 WeakPolarHBondContact O-CG2 3.41Å; R73-T77 PolarHBondContact O-N 3.13Å; R73-T77 PolarHBondContact O-OG1 2.84Å; K74-T77 WeakPolarHBondContact CA-OG1 3.13Å; K74-T77 PolarHBondContact O-N 2.88Å; K74-T77 PolarHBondContact O-OG1 2.97Å; Y75-T77 VanDerWaalsContact C-N 3.33Å; Y75-T77 PolarHBondContact O-N 3.16Å; T77-K80 PolarHBondContact O-N 2.91Å; T77-R81 WeakPolarHBondContact O-CG 3.44Å; T77-R81 PolarHBondContact O-N 3.26Å |
| 78 | A | 58.2 | Low | 57.3 | Low | 54 Ų | 54 | 108.7 Ų | 108.7 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K74 Y75 R81 Q82 | K74-A78 WeakPolarHBondContact O-CB 3.36Å; K74-A78 PolarHBondContact O-N 2.95Å; Y75-A78 PolarHBondContact O-N 3.33Å; A78-R81 PolarHBondContact O-N 3.36Å; A78-Q82 PolarHBondContact O-N 3.48Å |
| 79 | I | 53.1 | Low | 58.4 | Low | 111 Ų | 111 | 109.9 Ų | 109.9 | 57% | 0.569 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 177.2 | -66.1 | 166.8 | 0 | 0 | 0 | 110.6 | Y75 S76 R81 Q82 V83 | Y75-I79 VanDerWaalsContact O-CG1 3.32Å; Y75-I79 WeakPolarHBondContact O-CG1 3.43Å; Y75-I79 PolarHBondContact O-N 3.49Å; S76-I79 PolarHBondContact O-N 3.08Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.35Å; I79-Q82 PolarHBondContact O-N 2.86Å; I79-V83 HydrophobicContact CG2-CG2 4.47Å; I79-V83 WeakPolarHBondContact O-CG2 3.3Å; I79-V83 PolarHBondContact O-N 3.11Å |
| 80 | K | 63.8 | Low | 58.9 | Low | 146 Ų | 146 | 107.2 Ų | 107.2 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -40.3 | 176.4 | -75.8 | -179.4 | -179.5 | -178.2 | 0 | 112.4 | S76 T77 N84 | S76-K80 WeakPolarHBondContact O-CG 3.36Å; S76-K80 PolarHBondContact O-N 3.36Å; T77-K80 PolarHBondContact O-N 2.91Å; K80-N84 WeakPolarHBondContact O-CB 3.31Å; K80-N84 PolarHBondContact O-N 3.44Å; K80-N84 VanDerWaalsContact O-N 3.13Å |
| 81 | R | 62.1 | Low | 59.8 | Low | 185 Ų | 185 | 108.9 Ų | 108.9 | 70% | 0.698 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 174.8 | -76.3 | 178.7 | -179.3 | 178.6 | 0.4 | 111.4 | T77 A78 I79 N84 I85 | T77-R81 WeakPolarHBondContact O-CG 3.44Å; T77-R81 PolarHBondContact O-N 3.26Å; A78-R81 PolarHBondContact O-N 3.36Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.35Å; R81-N84 PolarHBondContact O-N 3.32Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.35Å; R81-I85 PolarHBondContact O-N 2.96Å |
| 82 | Q | 57.9 | Low | 60.7 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | -179.5 | -166.6 | 66.2 | 20.7 | 0 | 0 | 112.1 | A78 I79 N84 I85 E86 | A78-Q82 PolarHBondContact O-N 3.48Å; I79-Q82 PolarHBondContact O-N 2.86Å; Q82-N84 VanDerWaalsContact C-N 3.29Å; Q82-N84 PolarHBondContact O-N 2.93Å; Q82-I85 PolarHBondContact O-N 2.91Å; Q82-E86 PolarHBondContact O-N 3.27Å |
| 83 | V | 57.9 | Low | 61.3 | Low | 72 Ų | 72 | 113.4 Ų | 113.4 | 44% | 0.436 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | I79 E86 N87 | I79-V83 HydrophobicContact CG2-CG2 4.47Å; I79-V83 WeakPolarHBondContact O-CG2 3.3Å; I79-V83 PolarHBondContact O-N 3.11Å; V83-E86 PolarHBondContact O-N 3.27Å; V83-N87 WeakPolarHBondContact O-CB 3.46Å; V83-N87 PolarHBondContact O-N 3.48Å |
| 84 | N | 63.5 | Low | 62.3 | Low | 94 Ų | 94 | 111.2 Ų | 111.2 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 179.2 | -150.2 | -3 | 0 | 0 | 0 | 112.3 | K80 R81 Q82 K88 | K80-N84 WeakPolarHBondContact O-CB 3.31Å; K80-N84 PolarHBondContact O-N 3.44Å; K80-N84 VanDerWaalsContact O-N 3.13Å; R81-N84 PolarHBondContact O-N 3.32Å; Q82-N84 VanDerWaalsContact C-N 3.29Å; Q82-N84 PolarHBondContact O-N 2.93Å; N84-K88 WeakPolarHBondContact O-CB 3.47Å; N84-K88 WeakPolarHBondContact O-CG 3.24Å; N84-K88 PolarHBondContact O-N 3.49Å |
| 85 | I | 68.8 | Low | 63.1 | Low | 80 Ų | 80 | 108.1 Ų | 108.1 | 41% | 0.41 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 173.5 | -68.1 | 163.2 | 0 | 0 | 0 | 110.8 | R81 Q82 K88 K89 | R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.35Å; R81-I85 PolarHBondContact O-N 2.96Å; Q82-I85 PolarHBondContact O-N 2.91Å; I85-K88 PolarHBondContact O-N 2.64Å; I85-K89 WeakPolarHBondContact O-CG 3.3Å; I85-K89 PolarHBondContact O-N 2.74Å |
| 86 | E | 62.7 | Low | 64.1 | Low | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.1 | -75.7 | -176.4 | 176.6 | 0 | 0 | 112.4 | Q82 V83 K88 K89 Q90 | Q82-E86 PolarHBondContact O-N 3.27Å; V83-E86 PolarHBondContact O-N 3.27Å; E86-K88 VanDerWaalsContact C-N 3.35Å; E86-K88 PolarHBondContact O-N 3.03Å; E86-K89 PolarHBondContact O-N 2.78Å; E86-Q90 PolarHBondContact O-N 3.32Å |
| 87 | N | 65.9 | Low | 64.1 | Low | 79 Ų | 79 | 109.7 Ų | 109.7 | 42% | 0.422 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 174.9 | -74.4 | -15.5 | 0 | 0 | 0 | 111.6 | V83 K89 Q90 I91 | V83-N87 WeakPolarHBondContact O-CB 3.46Å; V83-N87 PolarHBondContact O-N 3.48Å; N87-K89 PolarHBondContact O-N 3.08Å; N87-Q90 PolarHBondContact O-N 3.2Å; N87-I91 VanDerWaalsContact O-CG1 3.25Å; N87-I91 WeakPolarHBondContact O-CG1 3.46Å; N87-I91 PolarHBondContact O-N 3.36Å |
| 88 | K | 72.5 | Confident | 64.5 | Low | 131 Ų | 131 | 114.1 Ų | 114.1 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 173.7 | -79 | -176.7 | 177.8 | -172.9 | 0 | 112.4 | N84 I85 E86 I91 N92 | N84-K88 WeakPolarHBondContact O-CB 3.47Å; N84-K88 WeakPolarHBondContact O-CG 3.24Å; N84-K88 PolarHBondContact O-N 3.49Å; I85-K88 PolarHBondContact O-N 2.64Å; E86-K88 VanDerWaalsContact C-N 3.35Å; E86-K88 PolarHBondContact O-N 3.03Å; K88-I91 PolarHBondContact O-N 2.68Å; K88-N92 WeakPolarHBondContact O-CB 3.38Å; K88-N92 VanDerWaalsContact O-CG 3.26Å; K88-N92 PolarHBondContact O-N 3.28Å |
| 89 | K | 66.9 | Low | 64.9 | Low | 132 Ų | 132 | 115 Ų | 115 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 175.3 | -76.7 | 179.9 | -179.6 | 180 | 0 | 111.8 | I85 E86 N87 N92 Q93 | I85-K89 WeakPolarHBondContact O-CG 3.3Å; I85-K89 PolarHBondContact O-N 2.74Å; E86-K89 PolarHBondContact O-N 2.78Å; N87-K89 PolarHBondContact O-N 3.08Å; K89-N92 PolarHBondContact O-N 2.97Å; K89-Q93 WeakPolarHBondContact O-CG 3.48Å; K89-Q93 PolarHBondContact O-N 3.14Å |
| 90 | Q | 59.7 | Low | 65.2 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.6 | -74.2 | -168.7 | 12.8 | 0 | 0 | 112.6 | E86 N87 Q93 K94 | E86-Q90 PolarHBondContact O-N 3.32Å; N87-Q90 PolarHBondContact O-N 3.2Å; Q90-Q93 PolarHBondContact O-N 2.76Å; Q90-K94 WeakPolarHBondContact O-CG 3.37Å; Q90-K94 PolarHBondContact O-N 3.08Å |
| 91 | I | 71 | Confident | 65.3 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.9 | -68.3 | 163.8 | 0 | 0 | 0 | 110.1 | N87 K88 Q93 K94 T95 | N87-I91 VanDerWaalsContact O-CG1 3.25Å; N87-I91 WeakPolarHBondContact O-CG1 3.46Å; N87-I91 PolarHBondContact O-N 3.36Å; K88-I91 PolarHBondContact O-N 2.68Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.13Å; I91-K94 PolarHBondContact O-N 2.89Å; I91-T95 PolarHBondContact O-N 3.5Å; I91-T95 PolarHBondContact O-OG1 3.04Å |
| 92 | N | 65.5 | Low | 65.6 | Low | 105 Ų | 105 | 110.4 Ų | 110.4 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -35.7 | 177.4 | -73.3 | -8.9 | 0 | 0 | 0 | 112.7 | K88 K89 T95 L96 | K88-N92 WeakPolarHBondContact O-CB 3.38Å; K88-N92 VanDerWaalsContact O-CG 3.26Å; K88-N92 PolarHBondContact O-N 3.28Å; K89-N92 PolarHBondContact O-N 2.97Å; N92-T95 WeakPolarHBondContact CA-OG1 3.49Å; N92-T95 PolarHBondContact O-OG1 2.9Å; N92-L96 VanDerWaalsContact O-CB 3.28Å; N92-L96 WeakPolarHBondContact O-CB 3.2Å; N92-L96 PolarHBondContact O-N 2.94Å |
| 93 | Q | 60.7 | Low | 65.8 | Low | 136 Ų | 136 | 110.6 Ų | 110.6 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.9 | -41.3 | 173.3 | -77.8 | -178.6 | -11.5 | 0 | 0 | 112.1 | K89 Q90 I91 L96 F97 | K89-Q93 WeakPolarHBondContact O-CG 3.48Å; K89-Q93 PolarHBondContact O-N 3.14Å; Q90-Q93 PolarHBondContact O-N 2.76Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.13Å; Q93-L96 PolarHBondContact O-N 3.03Å; Q93-F97 WeakPolarHBondContact O-CB 3.35Å; Q93-F97 PolarHBondContact O-N 2.91Å |
| 94 | K | 73.9 | Confident | 65.5 | Low | 154 Ų | 154 | 112 Ų | 112 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 176.1 | -76.1 | -179 | 178.4 | 179.1 | 0 | 112 | Q90 I91 F97 K98 | Q90-K94 WeakPolarHBondContact O-CG 3.37Å; Q90-K94 PolarHBondContact O-N 3.08Å; I91-K94 PolarHBondContact O-N 2.89Å; K94-F97 PolarHBondContact O-N 3.34Å; K94-K98 PolarHBondContact O-N 3.49Å |
| 95 | T | 68.4 | Low | 65.1 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -43 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | I91 N92 F97 K98 T99 | I91-T95 PolarHBondContact O-N 3.5Å; I91-T95 PolarHBondContact O-OG1 3.04Å; N92-T95 WeakPolarHBondContact CA-OG1 3.49Å; N92-T95 PolarHBondContact O-OG1 2.9Å; T95-F97 VanDerWaalsContact C-N 3.33Å; T95-F97 PolarHBondContact O-N 2.88Å; T95-K98 PolarHBondContact O-N 3.08Å; T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.45Å |
| 96 | L | 67.2 | Low | 64.4 | Low | 106 Ų | 106 | 114 Ų | 114 | 56% | 0.555 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -56.8 | -45.9 | 174.1 | -173.5 | 77.3 | 0 | 0 | 0 | 111.7 | N92 Q93 K98 T99 I100 | N92-L96 VanDerWaalsContact O-CB 3.28Å; N92-L96 WeakPolarHBondContact O-CB 3.2Å; N92-L96 PolarHBondContact O-N 2.94Å; Q93-L96 PolarHBondContact O-N 3.03Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.92Å; L96-T99 PolarHBondContact O-N 3.19Å; L96-I100 HydrophobicContact CD2-CD1 4.47Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.46Å |
| 97 | F | 63.4 | Low | 63.8 | Low | 149 Ų | 149 | 116.8 Ų | 116.8 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.9 | -39.7 | 178.8 | -158 | -89.1 | 0 | 0 | 0 | 111.9 | Q93 K94 T95 I100 K101 | Q93-F97 WeakPolarHBondContact O-CB 3.35Å; Q93-F97 PolarHBondContact O-N 2.91Å; K94-F97 PolarHBondContact O-N 3.34Å; T95-F97 VanDerWaalsContact C-N 3.33Å; T95-F97 PolarHBondContact O-N 2.88Å; F97-I100 PolarHBondContact O-N 3.04Å; F97-K101 WeakPolarHBondContact O-CB 3.4Å; F97-K101 PolarHBondContact O-N 3.44Å |
| 98 | K | 71 | Confident | 62.9 | Low | 167 Ų | 167 | 117 Ų | 117 | 73% | 0.726 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -40.2 | 175 | -166.3 | 176.3 | -178.8 | -179.9 | 0 | 111.8 | K94 T95 L96 K101 K102 | K94-K98 PolarHBondContact O-N 3.49Å; T95-K98 PolarHBondContact O-N 3.08Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.92Å; K98-K101 PolarHBondContact O-N 3.25Å; K98-K102 WeakPolarHBondContact O-CB 3.19Å; K98-K102 PolarHBondContact O-N 2.98Å |
| 99 | T | 67.3 | Low | 61.7 | Low | 74 Ų | 74 | 119.3 Ų | 119.3 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.4 | -45.6 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | T95 L96 K101 K102 Q103 | T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.45Å; L96-T99 PolarHBondContact O-N 3.19Å; T99-K101 VanDerWaalsContact C-N 3.34Å; T99-K101 PolarHBondContact O-N 3.4Å; T99-K102 PolarHBondContact O-N 3.04Å; T99-Q103 WeakPolarHBondContact O-CB 3.45Å; T99-Q103 WeakPolarHBondContact O-CG 3.31Å; T99-Q103 PolarHBondContact O-N 3.15Å |
| 100 | I | 60 | Low | 60.6 | Low | 76 Ų | 76 | 118.7 Ų | 118.7 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.2 | -44.2 | 177 | -67.4 | 166.9 | 0 | 0 | 0 | 110.3 | L96 F97 K102 Q103 L104 | L96-I100 HydrophobicContact CD2-CD1 4.47Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.46Å; F97-I100 PolarHBondContact O-N 3.04Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.93Å; I100-Q103 PolarHBondContact O-N 3.03Å; I100-L104 HydrophobicContact CG2-CD1 4.01Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 2.89Å; I100-L104 PolarHBondContact O-N 3.46Å |
| 101 | K | 64.3 | Low | 59.6 | Low | 132 Ų | 132 | 115.3 Ų | 115.3 | 57% | 0.574 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.8 | -44.3 | 176.6 | -171.2 | 178 | 179.6 | -178.7 | 0 | 111.5 | F97 K98 T99 L104 Q105 | F97-K101 WeakPolarHBondContact O-CB 3.4Å; F97-K101 PolarHBondContact O-N 3.44Å; K98-K101 PolarHBondContact O-N 3.25Å; T99-K101 VanDerWaalsContact C-N 3.34Å; T99-K101 PolarHBondContact O-N 3.4Å; K101-L104 PolarHBondContact O-N 2.96Å; K101-Q105 WeakPolarHBondContact O-CB 3.42Å; K101-Q105 PolarHBondContact O-N 3.02Å |
| 102 | K | 69.7 | Low | 58.2 | Low | 136 Ų | 136 | 117.6 Ų | 117.6 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -44.5 | 176.1 | -169.3 | -179.2 | 176.3 | -175.5 | 0 | 111.8 | K98 T99 I100 L104 Q105 D106 | K98-K102 WeakPolarHBondContact O-CB 3.19Å; K98-K102 PolarHBondContact O-N 2.98Å; T99-K102 PolarHBondContact O-N 3.04Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.93Å; K102-L104 VanDerWaalsContact C-N 3.28Å; K102-L104 PolarHBondContact O-N 3.19Å; K102-Q105 PolarHBondContact O-N 2.75Å; K102-Q105 VanDerWaalsContact O-N 3.13Å; K102-D106 WeakPolarHBondContact O-CB 3.08Å; K102-D106 VanDerWaalsContact O-CG 3.26Å; K102-D106 PolarHBondContact O-N 3.17Å |
| 103 | Q | 60.6 | Low | 57 | Low | 111 Ų | 111 | 118.1 Ų | 118.1 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.4 | -34.5 | 175.9 | -74.7 | 179.5 | -15 | 0 | 0 | 113 | T99 I100 R107 | T99-Q103 WeakPolarHBondContact O-CB 3.45Å; T99-Q103 WeakPolarHBondContact O-CG 3.31Å; T99-Q103 PolarHBondContact O-N 3.15Å; I100-Q103 PolarHBondContact O-N 3.03Å; Q103-R107 VanDerWaalsContact O-CB 3.26Å; Q103-R107 WeakPolarHBondContact O-CB 3.37Å; Q103-R107 WeakPolarHBondContact O-CG 3.45Å; Q103-R107 PolarHBondContact O-N 3.14Å; Q103-R107 VanDerWaalsContact O-N 3.17Å |
| 104 | L | 51.8 | Low | 56 | Low | 101 Ų | 101 | 119.6 Ų | 119.6 | 53% | 0.529 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.9 | -35 | 174.6 | -70.4 | 173.1 | 0 | 0 | 0 | 112.1 | I100 K101 K102 R107 S108 | I100-L104 HydrophobicContact CG2-CD1 4.01Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 2.89Å; I100-L104 PolarHBondContact O-N 3.46Å; K101-L104 PolarHBondContact O-N 2.96Å; K102-L104 VanDerWaalsContact C-N 3.28Å; K102-L104 PolarHBondContact O-N 3.19Å; L104-R107 PolarHBondContact O-N 3.04Å; L104-S108 PolarHBondContact O-N 3.23Å |
| 105 | Q | 56.9 | Low | 54.3 | Low | 120 Ų | 120 | 117.6 Ų | 117.6 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.3 | -48 | 175.7 | -156 | 98.3 | 32.7 | 0 | 0 | 111.3 | K101 K102 R107 S108 | K101-Q105 WeakPolarHBondContact O-CB 3.42Å; K101-Q105 PolarHBondContact O-N 3.02Å; K102-Q105 PolarHBondContact O-N 2.75Å; K102-Q105 VanDerWaalsContact O-N 3.13Å; Q105-R107 PolarHBondContact O-N 3.27Å; Q105-S108 PolarHBondContact O-N 2.85Å; Q105-S108 PolarHBondContact O-OG 3.22Å |
| 106 | D | 54.1 | Low | 53 | Low | 97 Ų | 97 | 121 Ų | 121 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63 | -26.6 | 176.7 | -64.8 | -11.1 | 0 | 0 | 0 | 110.9 | K102 | K102-D106 WeakPolarHBondContact O-CB 3.08Å; K102-D106 VanDerWaalsContact O-CG 3.26Å; K102-D106 PolarHBondContact O-N 3.17Å |
| 107 | R | 49.5 | Very low | 51.4 | Low | 164 Ų | 164 | 121.6 Ų | 121.6 | 62% | 0.619 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -9.5 | 174.2 | -73.2 | -173.8 | 177.2 | -146 | -1.1 | 114.6 | Q103 L104 Q105 E109 I110 | Q103-R107 VanDerWaalsContact O-CB 3.26Å; Q103-R107 WeakPolarHBondContact O-CB 3.37Å; Q103-R107 WeakPolarHBondContact O-CG 3.45Å; Q103-R107 PolarHBondContact O-N 3.14Å; Q103-R107 VanDerWaalsContact O-N 3.17Å; L104-R107 PolarHBondContact O-N 3.04Å; Q105-R107 PolarHBondContact O-N 3.27Å; R107-E109 PolarHBondContact O-N 2.96Å; R107-I110 HydrophobicContact CG-CD1 4.3Å; R107-I110 CarbonylContact O-C 3.55Å; R107-I110 WeakPolarHBondContact O-CA 3.27Å; R107-I110 WeakPolarHBondContact O-CB 2.92Å; R107-I110 PolarHBondContact O-N 3.43Å |
| 108 | S | 47.5 | Very low | 50 | Low | 82 Ų | 82 | 117.4 Ų | 117.4 | 57% | 0.573 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -19.8 | 176.4 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | L104 Q105 I110 | L104-S108 PolarHBondContact O-N 3.23Å; Q105-S108 PolarHBondContact O-N 2.85Å; Q105-S108 PolarHBondContact O-OG 3.22Å; S108-I110 PolarHBondContact O-N 3.06Å |
| 109 | E | 47.4 | Very low | 48.3 | Very low | 180 Ų | 180 | 119 Ų | 119 | 84% | 0.841 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -21.8 | 168.1 | -69.1 | -175.5 | 178.2 | 0 | 0 | 112.4 | R107 G111 | R107-E109 PolarHBondContact O-N 2.96Å; E109-G111 VanDerWaalsContact C-N 3.29Å; E109-G111 PolarHBondContact O-N 2.92Å; E109-G111 VanDerWaalsContact O-N 3.1Å |
| 110 | I | 43.3 | Very low | 46.8 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -89 | 78.9 | 172.5 | -59.4 | 153.3 | 0 | 0 | 0 | 106.8 | R107 S108 N112 | R107-I110 HydrophobicContact CG-CD1 4.3Å; R107-I110 CarbonylContact O-C 3.55Å; R107-I110 WeakPolarHBondContact O-CA 3.27Å; R107-I110 WeakPolarHBondContact O-CB 2.92Å; R107-I110 PolarHBondContact O-N 3.43Å; S108-I110 PolarHBondContact O-N 3.06Å; I110-N112 PolarHBondContact O-N 3.17Å |
| 111 | G | 38.8 | Very low | 45.5 | Very low | 40 Ų | 40 | 124.7 Ų | 124.7 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | trans | -45.7 | 133.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E109 N113 | E109-G111 VanDerWaalsContact C-N 3.29Å; E109-G111 PolarHBondContact O-N 2.92Å; E109-G111 VanDerWaalsContact O-N 3.1Å; G111-N113 PolarHBondContact O-N 3.4Å | ||
| 112 | N | 40.7 | Very low | 43.9 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 42.9 | -3.6 | 153.4 | -63.6 | -13.1 | 0 | 0 | 0 | 122 | I110 | I110-N112 PolarHBondContact O-N 3.17Š|
| 113 | N | 39.5 | Very low | 42 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | trans | -103.2 | -9.1 | -165 | -72.1 | -16.3 | 0 | 0 | 0 | 115.2 | G111 | G111-N113 PolarHBondContact O-N 3.4Š| ||
| 114 | W | 41.6 | Very low | 40.5 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -22.8 | -176.8 | 78.2 | -88 | 0 | 0 | 0 | 114 | T117 | W114-T117 PolarHBondContact O-OG1 2.93Š|
| 115 | L | 38.4 | Very low | 39.3 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 59% | 0.586 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -27.7 | 178.7 | -135 | 89.2 | 0 | 0 | 0 | 112.5 | T117 S118 | L115-T117 PolarHBondContact O-N 3.3Å; L115-S118 PolarHBondContact O-OG 2.96Å |
| 116 | L | 39.3 | Very low | 38.1 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -17.7 | -177.1 | -78.1 | 160.4 | 0 | 0 | 0 | 113.7 | ||
| 117 | T | 35 | Very low | 37 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -11.6 | -178.5 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | W114 L115 K119 | W114-T117 PolarHBondContact O-OG1 2.93Å; L115-T117 PolarHBondContact O-N 3.3Å; T117-K119 PolarHBondContact O-N 3.31Å |
| 118 | S | 34.4 | Very low | 36.4 | Very low | 61 Ų | 61 | 138.4 Ų | 138.4 | 43% | 0.427 | 72% | 0.717 | S | S | . | * | trans | -80.4 | 103.5 | 174.1 | 52.3 | 0 | 0 | 0 | 0 | 110 | L115 I120 | L115-S118 PolarHBondContact O-OG 2.96Å; S118-I120 PolarHBondContact O-N 2.98Å | ||
| 119 | K | 33.6 | Very low | 35.9 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 72% | 0.717 | S | S | * | * | trans | -59 | 78.9 | 160.5 | -75.4 | -178.2 | 176.4 | 179.9 | 0 | 109.1 | T117 N121 | T117-K119 PolarHBondContact O-N 3.31Å; K119-N121 PolarHBondContact O-N 3.23Å | ||
| 120 | I | 36.1 | Very low | 35.4 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | trans | -79.7 | 103 | 173.6 | -61 | 172.4 | 0 | 0 | 0 | 106.1 | S118 L122 | S118-I120 PolarHBondContact O-N 2.98Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.33Å | ||
| 121 | N | 33.7 | Very low | 35.1 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -64.4 | 96 | 169 | -72.1 | -26.7 | 0 | 0 | 0 | 108.4 | K119 I123 | K119-N121 PolarHBondContact O-N 3.23Å; N121-I123 PolarHBondContact O-N 2.91Å | ||
| 122 | L | 30.1 | Very low | 34.9 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -68.1 | 111.8 | 172.1 | -72.8 | 164.8 | 0 | 0 | 0 | 108.2 | I120 P124 | I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.33Å; L122-P124 VanDerWaalsContact O-CD 3.26Å; L122-P124 WeakPolarHBondContact O-CD 3.43Å | ||
| 123 | I | 30.4 | Very low | 34.7 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -79 | 114.9 | 173.2 | -59.5 | 172.3 | 0 | 0 | 0 | 107.5 | N121 R125 | N121-I123 PolarHBondContact O-N 2.91Å; I123-R125 PolarHBondContact O-N 3Å | ||
| 124 | P | 29.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 131.7 | 177 | 24.4 | -30.9 | 0 | 0 | 0 | 110.5 | L122 Q126 | L122-P124 VanDerWaalsContact O-CD 3.26Å; L122-P124 WeakPolarHBondContact O-CD 3.43Å; P124-Q126 PolarHBondContact O-N 2.74Å |
| 125 | R | 26.1 | Very low | 34 | Very low | 239 Ų | 239 | 145.5 Ų | 145.5 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 127.7 | 174.5 | -72.5 | -175.7 | 175.7 | -146.7 | -0.3 | 109.5 | I123 V127 | I123-R125 PolarHBondContact O-N 3Å; R125-V127 PolarHBondContact O-N 2.9Å |
| 126 | Q | 31.9 | Very low | 33.8 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 120.3 | 169.8 | -79.9 | -179.2 | -19.3 | 0 | 0 | 110.1 | P124 I128 | P124-Q126 PolarHBondContact O-N 2.74Å; Q126-I128 PolarHBondContact O-N 2.9Å |
| 127 | V | 31.5 | Very low | 33.6 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -74.5 | 109 | 171.3 | -175 | 0 | 0 | 0 | 0 | 107.2 | R125 S129 | R125-V127 PolarHBondContact O-N 2.9Å; V127-S129 PolarHBondContact O-N 2.92Å | ||
| 128 | I | 36.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -70.4 | 102.2 | 177.4 | -58.8 | 170.5 | 0 | 0 | 0 | 107.4 | Q126 S130 | Q126-I128 PolarHBondContact O-N 2.9Å; I128-S130 PolarHBondContact O-N 3.4Å | ||
| 129 | S | 36.7 | Very low | 33.5 | Very low | 84 Ų | 84 | 148.7 Ų | 148.7 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | trans | -56.4 | 127.1 | 172.6 | 140.8 | 0 | 0 | 0 | 0 | 110 | V127 K131 | V127-S129 PolarHBondContact O-N 2.92Å; S129-K131 VanDerWaalsContact C-N 3.29Å; S129-K131 PolarHBondContact O-N 3.33Å | ||
| 130 | S | 36.7 | Very low | 33.9 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -69.3 | 72.6 | -179.8 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | I128 | I128-S130 PolarHBondContact O-N 3.4Š| ||
| 131 | K | 36.2 | Very low | 34 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -99 | 103.8 | 163.3 | -76 | -173.2 | 177.8 | -178.8 | 0 | 108.3 | S129 | S129-K131 VanDerWaalsContact C-N 3.29Å; S129-K131 PolarHBondContact O-N 3.33Å | ||
| 132 | K | 36 | Very low | 33.9 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -58.4 | 125.6 | 172.5 | -83.2 | 178.3 | 176.4 | 175.9 | 0 | 108.8 | I134 | K132-I134 PolarHBondContact O-N 3.2Š| ||
| 133 | P | 35.2 | Very low | 34.2 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -69.3 | 124.8 | 174.8 | 26.5 | -30.3 | 0 | 0 | 0 | 109.6 | I135 | P133-I135 PolarHBondContact O-N 3.38Š| ||
| 134 | I | 31.7 | Very low | 34.2 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -77.9 | 110.4 | 170.9 | -61.4 | 169.5 | 0 | 0 | 0 | 106.4 | K132 | K132-I134 PolarHBondContact O-N 3.2Š| ||
| 135 | I | 35.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 150 Ų | 150 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 124.5 | 173.3 | -59.4 | 172.6 | 0 | 0 | 0 | 106.9 | P133 T137 | P133-I135 PolarHBondContact O-N 3.38Å; I135-T137 PolarHBondContact O-N 3.3Å |
| 136 | P | 33.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.8 | 178.2 | 24.3 | -30.6 | 0 | 0 | 0 | 110.6 | ||
| 137 | T | 35.1 | Very low | 34.8 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130.5 | 174.8 | 3.8 | 0 | 0 | 0 | 0 | 110 | I135 | I135-T137 PolarHBondContact O-N 3.3Š|
| 138 | P | 34 | Very low | 34.8 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 134.5 | 176.7 | 13.6 | -9.4 | 0 | 0 | 0 | 110.8 | M140 | P138-M140 PolarHBondContact O-N 2.89Š|
| 139 | N | 34.6 | Very low | 34.6 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66 | 122.6 | 179.2 | -164.8 | 2.6 | 0 | 0 | 0 | 110.3 | D141 | N139-D141 VanDerWaalsContact C-N 3.32Å; N139-D141 PolarHBondContact O-N 3.02Å |
| 140 | M | 40.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -84.4 | 3.5 | -170.2 | -84 | -67.1 | -46 | 0 | 0 | 114.4 | P138 M142 | P138-M140 PolarHBondContact O-N 2.89Å; M140-M142 VanDerWaalsContact C-N 3.3Å; M140-M142 PolarHBondContact O-N 2.98Å | ||
| 141 | D | 38.8 | Very low | 33.8 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 5.4 | -168.8 | -76.1 | -13.4 | 0 | 0 | 0 | 116 | N139 | N139-D141 VanDerWaalsContact C-N 3.32Å; N139-D141 PolarHBondContact O-N 3.02Å |
| 142 | M | 32.6 | Very low | 33.5 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 3.6 | -173.1 | -124.6 | 177.9 | 65.1 | 0 | 0 | 116 | M140 | M140-M142 VanDerWaalsContact C-N 3.3Å; M140-M142 PolarHBondContact O-N 2.98Å |
| 143 | F | 36.8 | Very low | 33.2 | Very low | 169 Ų | 169 | 145 Ų | 145 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -116.5 | 61.5 | -179.5 | -62.7 | -73.5 | 0 | 0 | 0 | 112.8 | V145 | F143-V145 PolarHBondContact O-N 3.18Š| ||
| 144 | Q | 30.2 | Very low | 32.8 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -94.2 | 77.2 | 160.5 | -154.6 | 120.6 | 40 | 0 | 0 | 108.3 | ||||
| 145 | V | 33.1 | Very low | 32.8 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | -91.1 | 115.1 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | F143 A147 | F143-V145 PolarHBondContact O-N 3.18Å; V145-A147 PolarHBondContact O-N 3.48Å | ||
| 146 | N | 31.8 | Very low | 32.3 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -55.7 | 122.8 | -178.6 | -70.1 | -35.6 | 0 | 0 | 0 | 111.3 | D148 | N146-D148 PolarHBondContact O-N 3.43Š| ||
| 147 | A | 33.4 | Very low | 32.2 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -77.8 | 82.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V145 K149 | V145-A147 PolarHBondContact O-N 3.48Å; A147-K149 PolarHBondContact O-N 2.98Å | ||
| 148 | D | 32.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -78.9 | 120.4 | 170.1 | -79.2 | -31 | 0 | 0 | 0 | 111.1 | N146 N150 | N146-D148 PolarHBondContact O-N 3.43Å; D148-N150 PolarHBondContact O-N 3.45Å; D148-N150 VanDerWaalsContact O-N 3.14Å | ||
| 149 | K | 30.7 | Very low | 31.4 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -63.3 | 97.6 | -176.1 | -67.8 | 167.6 | 175.9 | 172.2 | 0 | 111.9 | A147 | A147-K149 PolarHBondContact O-N 2.98Š| ||
| 150 | N | 31.8 | Very low | 31 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -107.2 | 96.6 | 164.7 | -76.3 | -24.8 | 0 | 0 | 0 | 110.8 | D148 Y152 | D148-N150 PolarHBondContact O-N 3.45Å; D148-N150 VanDerWaalsContact O-N 3.14Å; N150-Y152 HydrophobicContact CB-CD2 4.46Å; N150-Y152 HydrophobicContact CB-CE2 4.34Å; N150-Y152 PolarHBondContact O-N 3.38Å | ||
| 151 | N | 25.8 | Very low | 30.4 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -79.9 | 92.1 | -179 | -154.5 | 11.6 | 0 | 0 | 0 | 109.4 | ||||
| 152 | Y | 30 | Very low | 29.8 | Very low | 209 Ų | 209 | 148 Ų | 148 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | trans | -94.2 | 104.1 | 171.6 | -82.9 | -83.3 | 0 | 0 | 0 | 110.1 | N150 S154 | N150-Y152 HydrophobicContact CB-CD2 4.46Å; N150-Y152 HydrophobicContact CB-CE2 4.34Å; N150-Y152 PolarHBondContact O-N 3.38Å; Y152-S154 PolarHBondContact O-N 2.83Å | ||
| 153 | I | 29 | Very low | 29.6 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -74 | 119.1 | 176.8 | -63.9 | 168.6 | 0 | 0 | 0 | 109.4 | K155 | I153-K155 PolarHBondContact O-N 2.93Š| ||
| 154 | S | 28 | Very low | 29.2 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -64.3 | 115.7 | 171.1 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | Y152 | Y152-S154 PolarHBondContact O-N 2.83Š| ||
| 155 | K | 30.9 | Very low | 29.2 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | -102.1 | 94.3 | 165.7 | -79 | -175.5 | 177.9 | 178 | 0 | 109.8 | I153 A157 | I153-K155 PolarHBondContact O-N 2.93Å; K155-A157 PolarHBondContact O-N 2.8Å | ||
| 156 | T | 25.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -75.6 | 110.5 | 165.9 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 157 | A | 30.1 | Very low | 29.1 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -121.1 | 107.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K155 | K155-A157 PolarHBondContact O-N 2.8Š| ||
| 158 | R | 23.3 | Very low | 28.9 | Very low | 238 Ų | 238 | 154.3 Ų | 154.3 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -63 | 131.3 | 165.9 | -82.4 | 174.1 | 169 | 171.1 | -4 | 108.9 | ||||
| 159 | S | 28.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 158.6 Ų | 158.6 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -143.4 | 112.3 | 152.4 | -143.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 160 | T | 26 | Very low | 28.8 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -84.4 | 131.2 | 172.3 | 45.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 161 | S | 29.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -165.3 | 135.2 | 131.5 | 84.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 162 | S | 24.9 | Very low | 29.1 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -79.3 | 136.6 | 175.1 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 163 | K | 29.9 | Very low | 29 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | -146.9 | 93.7 | 151 | -121.2 | 173.7 | -177.5 | 175.9 | 0 | 108.9 | T165 | K163-T165 PolarHBondContact O-N 3.36Š| ||
| 164 | L | 28.5 | Very low | 29 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 82% | 0.817 | S | S | * | * | trans | -71.5 | 107.3 | 166.3 | -105.9 | 92.4 | 0 | 0 | 0 | 107.7 | F166 | L164-F166 HydrophobicContact CD2-CE2 4.33Š| ||
| 165 | T | 28.2 | Very low | 29 | Very low | 110 Ų | 110 | 149 Ų | 149 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | trans | -99.8 | 111.2 | 164.2 | 30.7 | 0 | 0 | 0 | 0 | 109.1 | K163 N167 | K163-T165 PolarHBondContact O-N 3.36Å; T165-N167 VanDerWaalsContact C-N 3.32Å; T165-N167 PolarHBondContact O-N 2.96Å | ||
| 166 | F | 31.4 | Very low | 28.9 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -66.5 | 85.5 | 169.7 | -92.9 | -95.1 | 0 | 0 | 0 | 109.7 | L164 K168 | L164-F166 HydrophobicContact CD2-CE2 4.33Å; F166-K168 PolarHBondContact O-N 2.95Å | ||
| 167 | N | 32.1 | Very low | 29.1 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -81.3 | 109.6 | 168.1 | -77.4 | -16 | 0 | 0 | 0 | 109 | T165 R169 | T165-N167 VanDerWaalsContact C-N 3.32Å; T165-N167 PolarHBondContact O-N 2.96Å; N167-R169 PolarHBondContact O-N 2.8Å | ||
| 168 | K | 30.3 | Very low | 29 | Very low | 200 Ų | 200 | 148 Ų | 148 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 133 | 171.9 | -76.2 | 178.9 | 175 | 178.7 | 0 | 110 | F166 | F166-K168 PolarHBondContact O-N 2.95Š|
| 169 | R | 28.4 | Very low | 29.1 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126.1 | 174 | -109.6 | 177.1 | 177.2 | 145.7 | -1.8 | 109.9 | N167 | N167-R169 PolarHBondContact O-N 2.8Š|
| 170 | P | 33.3 | Very low | 29.1 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.2 | 168 | 25.9 | -30 | 0 | 0 | 0 | 110.1 | S172 | P170-S172 PolarHBondContact O-N 3.22Š|
| 171 | H | 32 | Very low | 29.2 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 127.8 | 176.2 | -66.4 | -83 | 0 | 0 | 0 | 110.1 | V173 | H171-V173 PolarHBondContact O-N 3.43Š|
| 172 | S | 30.4 | Very low | 29.1 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -66.2 | 110.1 | 174.9 | 169.8 | 0 | 0 | 0 | 0 | 109.8 | P170 | P170-S172 PolarHBondContact O-N 3.22Š| ||
| 173 | V | 29.3 | Very low | 29.3 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -77.7 | 132.8 | 168.3 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | H171 S175 | H171-V173 PolarHBondContact O-N 3.43Å; V173-S175 PolarHBondContact O-N 2.89Å | ||
| 174 | A | 28.2 | Very low | 29.4 | Very low | 88 Ų | 88 | 147.5 Ų | 147.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -62.6 | 106.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | T176 | A174-T176 PolarHBondContact O-N 3.19Š| ||
| 175 | S | 29.1 | Very low | 29.3 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -78.4 | 101.9 | 171.2 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | V173 H177 | V173-S175 PolarHBondContact O-N 2.89Å; S175-H177 PolarHBondContact O-N 3.49Å; S175-H177 VanDerWaalsContact O-N 3.17Å | ||
| 176 | T | 28.3 | Very low | 29.4 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -66.9 | 103 | 165.4 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | A174 S178 | A174-T176 PolarHBondContact O-N 3.19Å; T176-S178 PolarHBondContact O-N 2.85Å | ||
| 177 | H | 29.1 | Very low | 29.3 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -72 | 105.7 | 161 | -77.6 | -76.4 | 0 | 0 | 0 | 108.2 | S175 R179 | S175-H177 PolarHBondContact O-N 3.49Å; S175-H177 VanDerWaalsContact O-N 3.17Å; H177-R179 PolarHBondContact O-N 3.24Å; H177-R179 VanDerWaalsContact O-N 3.17Å | ||
| 178 | S | 29.4 | Very low | 29.3 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -58.9 | 112.6 | 163.3 | 36.7 | 0 | 0 | 0 | 0 | 108.5 | T176 L180 | T176-S178 PolarHBondContact O-N 2.85Å; S178-L180 PolarHBondContact O-N 2.92Å; S178-L180 VanDerWaalsContact O-N 3.17Å | ||
| 179 | R | 25.4 | Very low | 29.1 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -62.5 | 114.1 | 170.4 | -172.1 | 175.7 | -176.8 | 172.5 | -0.1 | 107 | H177 S181 | H177-R179 PolarHBondContact O-N 3.24Å; H177-R179 VanDerWaalsContact O-N 3.17Å; R179-S181 PolarHBondContact O-N 3.25Å | ||
| 180 | L | 27.6 | Very low | 29.3 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -54.6 | 112.3 | 168.4 | -113.8 | 82.5 | 0 | 0 | 0 | 107.1 | S178 N182 | S178-L180 PolarHBondContact O-N 2.92Å; S178-L180 VanDerWaalsContact O-N 3.17Å; L180-N182 PolarHBondContact O-N 3.42Å | ||
| 181 | S | 28.9 | Very low | 29.1 | Very low | 83 Ų | 83 | 140 Ų | 140 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | trans | -65 | 125.7 | 172.6 | 48.1 | 0 | 0 | 0 | 0 | 108.2 | R179 H183 | R179-S181 PolarHBondContact O-N 3.25Å; S181-H183 PolarHBondContact O-N 3.11Å | ||
| 182 | N | 27.8 | Very low | 28.9 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -65 | 83.5 | 168.4 | -67.3 | -24.1 | 0 | 0 | 0 | 108.2 | L180 | L180-N182 PolarHBondContact O-N 3.42Š| ||
| 183 | H | 28.5 | Very low | 28.8 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -73.5 | 125.8 | 161.5 | -83.9 | -61.3 | 0 | 0 | 0 | 107.7 | S181 N185 | S181-H183 PolarHBondContact O-N 3.11Å; H183-N185 PolarHBondContact O-N 3.46Å; H183-N185 VanDerWaalsContact O-N 3.1Å | ||
| 184 | P | 31 | Very low | 28.7 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -65.4 | 112.1 | 174.8 | 25.9 | -29.6 | 0 | 0 | 0 | 107.5 | ||||
| 185 | N | 26.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -68.6 | 126.3 | 179.6 | -150 | 12.3 | 0 | 0 | 0 | 108.2 | H183 E187 | H183-N185 PolarHBondContact O-N 3.46Å; H183-N185 VanDerWaalsContact O-N 3.1Å; N185-E187 PolarHBondContact O-N 3.3Å | ||
| 186 | P | 31.3 | Very low | 28.5 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 132.9 | 179.6 | 24.9 | -32.3 | 0 | 0 | 0 | 111 | H188 | P186-H188 PolarHBondContact O-N 3.03Š| ||
| 187 | E | 29.2 | Very low | 28.6 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | 4.4 | 86 | 150.8 | -62 | 174.1 | -179 | 0 | 0 | 114.9 | N185 | N185-E187 PolarHBondContact O-N 3.3Š| ||
| 188 | H | 30.8 | Very low | 28.5 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -103.8 | 99.1 | 153.7 | -83.7 | -56.9 | 0 | 0 | 0 | 107.7 | P186 T190 | P186-H188 PolarHBondContact O-N 3.03Å; H188-T190 PolarHBondContact O-N 3Å; H188-T190 PolarHBondContact O-OG1 3.13Å | ||
| 189 | D | 27.7 | Very low | 28.5 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -51.9 | 81.8 | 165 | -70.4 | -39.2 | 0 | 0 | 0 | 110.1 | N191 | D189-N191 VanDerWaalsContact C-N 3.28Å; D189-N191 PolarHBondContact O-N 3.37Å; D189-N191 VanDerWaalsContact O-N 3.09Å | ||
| 190 | T | 31.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -81.4 | 90.7 | 165.5 | 13.3 | 0 | 0 | 0 | 0 | 105.8 | H188 I192 | H188-T190 PolarHBondContact O-N 3Å; H188-T190 PolarHBondContact O-OG1 3.13Å; T190-I192 PolarHBondContact O-N 3.18Å | ||
| 191 | N | 30.4 | Very low | 29.1 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -43.4 | 99.6 | 167.7 | -68.1 | -60.2 | 0 | 0 | 0 | 109.6 | D189 S193 | D189-N191 VanDerWaalsContact C-N 3.28Å; D189-N191 PolarHBondContact O-N 3.37Å; D189-N191 VanDerWaalsContact O-N 3.09Å; N191-S193 VanDerWaalsContact C-N 3.26Å; N191-S193 PolarHBondContact O-N 3.31Å | ||
| 192 | I | 27.4 | Very low | 29.3 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 92.5 | 169 | -57 | 170.7 | 0 | 0 | 0 | 105.1 | T190 T194 | T190-I192 PolarHBondContact O-N 3.18Å; I192-T194 PolarHBondContact O-N 3.01Å | ||
| 193 | S | 28.2 | Very low | 29.2 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -59.4 | 110.3 | 167.5 | -79 | 0 | 0 | 0 | 0 | 108.6 | N191 A195 | N191-S193 VanDerWaalsContact C-N 3.26Å; N191-S193 PolarHBondContact O-N 3.31Å; S193-A195 PolarHBondContact O-N 3.39Å | ||
| 194 | T | 26.4 | Very low | 29.2 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -64.7 | 76.2 | 172.8 | -36.5 | 0 | 0 | 0 | 0 | 109.6 | I192 S196 | I192-T194 PolarHBondContact O-N 3.01Å; T194-S196 PolarHBondContact O-N 2.99Å; T194-S196 VanDerWaalsContact O-N 3.09Å | ||
| 195 | A | 27.6 | Very low | 29.2 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -74.4 | 99.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | S193 S197 | S193-A195 PolarHBondContact O-N 3.39Å; A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 3.01Å | ||
| 196 | S | 27 | Very low | 29.4 | Very low | 95 Ų | 95 | 150.6 Ų | 150.6 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -60.9 | 86.7 | 173 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | T194 H198 | T194-S196 PolarHBondContact O-N 2.99Å; T194-S196 VanDerWaalsContact O-N 3.09Å; S196-H198 PolarHBondContact O-N 3.21Å | ||
| 197 | S | 30.4 | Very low | 29.5 | Very low | 103 Ų | 103 | 154 Ų | 154 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -82.5 | 93.2 | 164.5 | -162.5 | 0 | 0 | 0 | 0 | 107.7 | A195 R199 | A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 3.01Å; S197-R199 PolarHBondContact O-N 3.05Å | ||
| 198 | H | 26.4 | Very low | 29.6 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -59.3 | 78.2 | 163.3 | -73.6 | -75.1 | 0 | 0 | 0 | 109.4 | S196 | S196-H198 PolarHBondContact O-N 3.21Š| ||
| 199 | R | 29.6 | Very low | 29.7 | Very low | 227 Ų | 227 | 152.1 Ų | 152.1 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -95.5 | 107.3 | 160.5 | -102 | -174.7 | 176.4 | -164.2 | 0.6 | 107.9 | S197 S201 | S197-R199 PolarHBondContact O-N 3.05Å; R199-S201 PolarHBondContact O-N 2.93Å | ||
| 200 | S | 33.2 | Very low | 29.9 | Very low | 96 Ų | 96 | 153.4 Ų | 153.4 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | -36.3 | 125.7 | 176.8 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | K202 | S200-K202 PolarHBondContact O-N 2.98Š| ||
| 201 | S | 31.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -59.6 | 84.3 | 163.9 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | R199 R203 | R199-S201 PolarHBondContact O-N 2.93Å; S201-R203 PolarHBondContact O-N 3.12Å | ||
| 202 | K | 33.2 | Very low | 30 | Very low | 181 Ų | 181 | 152.2 Ų | 152.2 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | -75.7 | 79 | 160.3 | -79.6 | -174.5 | 178.2 | -178.7 | 0 | 106.4 | S200 F204 | S200-K202 PolarHBondContact O-N 2.98Å; K202-F204 PolarHBondContact O-N 2.89Å | ||
| 203 | R | 25.2 | Very low | 30.3 | Very low | 223 Ų | 223 | 153.3 Ų | 153.3 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -49.8 | 111.6 | 162 | -168.7 | 176.8 | -163.5 | 159.5 | 3 | 106.2 | S201 Q205 | S201-R203 PolarHBondContact O-N 3.12Å; R203-Q205 PolarHBondContact O-N 2.89Å | ||
| 204 | F | 30.2 | Very low | 30.5 | Very low | 191 Ų | 191 | 159.2 Ų | 159.2 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -52.6 | 117.5 | 172.2 | -85.5 | -92.7 | 0 | 0 | 0 | 107.4 | K202 Y206 | K202-F204 PolarHBondContact O-N 2.89Å; F204-Y206 PolarHBondContact O-N 2.95Å; F204-Y206 VanDerWaalsContact O-N 3.1Å | ||
| 205 | Q | 30.5 | Very low | 30.8 | Very low | 183 Ų | 183 | 157 Ų | 157 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -62.8 | 113 | 168.6 | -80.7 | 176.2 | -22.2 | 0 | 0 | 106.2 | R203 L207 | R203-Q205 PolarHBondContact O-N 2.89Å; Q205-L207 PolarHBondContact O-N 3.29Å | ||
| 206 | Y | 30.3 | Very low | 31 | Very low | 225 Ų | 225 | 161.9 Ų | 161.9 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -58 | 112.3 | 161 | -77 | -92.9 | 0 | 0 | 0 | 106 | F204 S208 | F204-Y206 PolarHBondContact O-N 2.95Å; F204-Y206 VanDerWaalsContact O-N 3.1Å; Y206-S208 PolarHBondContact O-N 3.32Å; Y206-S208 VanDerWaalsContact O-N 3.1Å | ||
| 207 | L | 32.6 | Very low | 31.4 | Very low | 168 Ų | 168 | 163.1 Ų | 163.1 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -59.2 | 115.2 | 165.3 | -71.8 | 166.8 | 0 | 0 | 0 | 105.8 | Q205 E209 | Q205-L207 PolarHBondContact O-N 3.29Å; L207-E209 PolarHBondContact O-N 3.01Å | ||
| 208 | S | 32.8 | Very low | 31.8 | Very low | 106 Ų | 106 | 163.8 Ų | 163.8 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -49.2 | 135.4 | 173.5 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | Y206 E210 | Y206-S208 PolarHBondContact O-N 3.32Å; Y206-S208 VanDerWaalsContact O-N 3.1Å; S208-E210 PolarHBondContact O-N 3.37Å | ||
| 209 | E | 32.3 | Very low | 32 | Very low | 194 Ų | 194 | 166.4 Ų | 166.4 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -55.3 | 101.7 | 170.7 | -66.6 | -175.7 | 164.6 | 0 | 0 | 108.5 | L207 S211 | L207-E209 PolarHBondContact O-N 3.01Å; E209-S211 PolarHBondContact O-N 2.94Å | ||
| 210 | E | 31.2 | Very low | 32.4 | Very low | 171 Ų | 171 | 160.7 Ų | 160.7 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -67.4 | 102.5 | 168.2 | -167 | 171 | -165.6 | 0 | 0 | 105.8 | S208 I212 | S208-E210 PolarHBondContact O-N 3.37Å; E210-I212 PolarHBondContact O-N 3.48Å | ||
| 211 | S | 32.5 | Very low | 32.5 | Very low | 105 Ų | 105 | 162 Ų | 162 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -62.4 | 88.6 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 107.6 | E209 E213 | E209-S211 PolarHBondContact O-N 2.94Å; S211-E213 PolarHBondContact O-N 2.8Å | ||
| 212 | I | 32.8 | Very low | 32.8 | Very low | 140 Ų | 140 | 161.6 Ų | 161.6 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | -66.3 | 96.4 | 168 | -58.9 | 173.1 | 0 | 0 | 0 | 105.2 | E210 R214 | E210-I212 PolarHBondContact O-N 3.48Å; I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 2.98Å | ||
| 213 | E | 32.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -52.6 | 97.6 | 162.5 | -78.1 | -172.2 | 151.4 | 0 | 0 | 106.9 | S211 A215 | S211-E213 PolarHBondContact O-N 2.8Å; E213-A215 VanDerWaalsContact C-N 3.29Å; E213-A215 PolarHBondContact O-N 2.99Å | ||
| 214 | R | 31.8 | Very low | 33 | Very low | 230 Ų | 230 | 151.4 Ų | 151.4 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -63.7 | 100.6 | 165.9 | -86.9 | -175.2 | -174.8 | 148.7 | 3.3 | 106.3 | I212 K216 | I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 2.98Å; R214-K216 PolarHBondContact O-N 3.26Å | ||
| 215 | A | 33.8 | Very low | 33 | Very low | 91 Ų | 91 | 148.1 Ų | 148.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -46.1 | 115 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | E213 P217 | E213-A215 VanDerWaalsContact C-N 3.29Å; E213-A215 PolarHBondContact O-N 2.99Å; A215-P217 WeakPolarHBondContact O-CD 3.2Å | ||
| 216 | K | 32 | Very low | 33.1 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -56.3 | 125.9 | 173.2 | -77.3 | 179.1 | 179.2 | 173.2 | 0 | 106.7 | R214 S218 | R214-K216 PolarHBondContact O-N 3.26Å; K216-S218 PolarHBondContact O-N 2.93Å; K216-S218 VanDerWaalsContact O-N 3.1Å | ||
| 217 | P | 35.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -57.2 | 122.8 | 174.9 | 19.5 | -27.5 | 0 | 0 | 0 | 108.1 | A215 R219 | A215-P217 WeakPolarHBondContact O-CD 3.2Å; P217-R219 VanDerWaalsContact C-N 3.34Å; P217-R219 PolarHBondContact O-N 3.5Å | ||
| 218 | S | 37.8 | Very low | 33.2 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -61.2 | 96 | 175.4 | 44 | 0 | 0 | 0 | 0 | 108.2 | K216 P220 | K216-S218 PolarHBondContact O-N 2.93Å; K216-S218 VanDerWaalsContact O-N 3.1Å; S218-P220 WeakPolarHBondContact O-CD 3.13Å | ||
| 219 | R | 31.2 | Very low | 33.1 | Very low | 234 Ų | 234 | 145.1 Ų | 145.1 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -76 | 118.4 | 171.9 | -158.4 | 176.2 | -168.7 | -179.5 | 1.6 | 106.5 | P217 S221 | P217-R219 VanDerWaalsContact C-N 3.34Å; P217-R219 PolarHBondContact O-N 3.5Å; R219-S221 PolarHBondContact O-N 3.41Å | ||
| 220 | P | 36.6 | Very low | 33.1 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 128.5 | 174.1 | 21.6 | -29.9 | 0 | 0 | 0 | 108.4 | S218 S222 | S218-P220 WeakPolarHBondContact O-CD 3.13Å; P220-S222 PolarHBondContact O-N 3.5Å | ||
| 221 | S | 35.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 82.5 | 173.9 | 62.9 | 0 | 0 | 0 | 0 | 108.5 | R219 A223 | R219-S221 PolarHBondContact O-N 3.41Å; S221-A223 PolarHBondContact O-N 2.96Å | ||
| 222 | S | 38.6 | Very low | 33 | Very low | 109 Ų | 109 | 152.4 Ų | 152.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 107.3 | 159.5 | 28.5 | 0 | 0 | 0 | 0 | 105.6 | P220 | P220-S222 PolarHBondContact O-N 3.5Š| ||
| 223 | A | 30.8 | Very low | 32.8 | Very low | 76 Ų | 76 | 150 Ų | 150 | 63% | 0.628 | 80% | 0.797 | S | S | * | * | trans | -50.8 | 148.4 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | S221 C225 | S221-A223 PolarHBondContact O-N 2.96Å; A223-C225 PolarHBondContact O-N 3.04Å | ||
| 224 | P | 31.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -56.9 | 117.9 | 175.8 | 25 | -32.1 | 0 | 0 | 0 | 108 | I226 | P224-I226 VanDerWaalsContact C-N 3.33Å; P224-I226 PolarHBondContact O-N 2.85Å | ||
| 225 | C | 30.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -60.6 | 103.7 | 166.9 | -69.4 | 0 | 0 | 0 | 0 | 106.5 | A223 L227 | A223-C225 PolarHBondContact O-N 3.04Å; C225-L227 PolarHBondContact O-N 2.93Å | ||
| 226 | I | 32.9 | Very low | 32.7 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 115.9 | 168.7 | -57.1 | 175.1 | 0 | 0 | 0 | 104.5 | P224 E228 | P224-I226 VanDerWaalsContact C-N 3.33Å; P224-I226 PolarHBondContact O-N 2.85Å; I226-E228 HydrophobicContact CG2-CG 3.85Å; I226-E228 PolarHBondContact O-N 3.16Å | ||
| 227 | L | 30.1 | Very low | 32.6 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -67.8 | 84.8 | 169.2 | -111.6 | 89.8 | 0 | 0 | 0 | 106.5 | C225 | C225-L227 PolarHBondContact O-N 2.93Š| ||
| 228 | E | 34.4 | Very low | 32.4 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -83.6 | 128.8 | 162.6 | -72 | -177.7 | 172.2 | 0 | 0 | 107.9 | I226 | I226-E228 HydrophobicContact CG2-CG 3.85Å; I226-E228 PolarHBondContact O-N 3.16Å | ||
| 229 | E | 31 | Very low | 32.1 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | 83 | 65.9 | 147.2 | -143.3 | 170.4 | -160.8 | 0 | 0 | 117.9 | ||||
| 230 | Y | 31.4 | Very low | 32.1 | Very low | 221 Ų | 221 | 138 Ų | 138 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -118.2 | 45.7 | 150.4 | -85.6 | -78.7 | 0 | 0 | 0 | 111.3 | R232 | Y230-R232 VanDerWaalsContact C-N 3.27Š| ||
| 231 | D | 31.9 | Very low | 31.7 | Very low | 167 Ų | 167 | 141 Ų | 141 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -90.7 | 18.9 | 169 | -79.2 | -24.9 | 0 | 0 | 0 | 112.9 | ||||
| 232 | R | 30.4 | Very low | 31.5 | Very low | 234 Ų | 234 | 137.9 Ų | 137.9 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -124.8 | 66.1 | -178.6 | -157.1 | -178.7 | -90.5 | -173.1 | -4 | 112.7 | Y230 | Y230-R232 VanDerWaalsContact C-N 3.27Š| ||
| 233 | A | 29.1 | Very low | 31 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -155 | 68.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | P235 | A233-P235 WeakPolarHBondContact O-CD 3.13Š| ||
| 234 | A | 30.2 | Very low | 31.1 | Very low | 91 Ų | 91 | 143 Ų | 143 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -57.6 | 123 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | V236 | A234-V236 PolarHBondContact O-N 2.84Å; A234-V236 VanDerWaalsContact O-N 3.16Å | ||
| 235 | P | 35.4 | Very low | 31.1 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | -67.2 | 116.9 | 175.2 | 26.2 | -30.3 | 0 | 0 | 0 | 108 | A233 I237 | A233-P235 WeakPolarHBondContact O-CD 3.13Å; P235-I237 HydrophobicContact CB-CG1 4.11Å; P235-I237 HydrophobicContact CG-CD1 4.49Å; P235-I237 HydrophobicContact CG-CG1 4.31Å; P235-I237 WeakPolarHBondContact O-CG1 3.41Å; P235-I237 PolarHBondContact O-N 3.43Å | ||
| 236 | V | 30.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | -66.9 | 86.7 | 164.2 | 179.9 | 0 | 0 | 0 | 0 | 106.2 | A234 | A234-V236 PolarHBondContact O-N 2.84Å; A234-V236 VanDerWaalsContact O-N 3.16Å | ||
| 237 | I | 29.9 | Very low | 31.1 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -93.7 | 97 | 164.1 | -10.7 | 175.5 | 0 | 0 | 0 | 104.3 | P235 E239 | P235-I237 HydrophobicContact CB-CG1 4.11Å; P235-I237 HydrophobicContact CG-CD1 4.49Å; P235-I237 HydrophobicContact CG-CG1 4.31Å; P235-I237 WeakPolarHBondContact O-CG1 3.41Å; P235-I237 PolarHBondContact O-N 3.43Å; I237-E239 PolarHBondContact O-N 3.42Å | ||
| 238 | S | 31.8 | Very low | 31 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -53.9 | 128.8 | 174.1 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | L240 | S238-L240 PolarHBondContact O-N 2.93Š| ||
| 239 | E | 31.4 | Very low | 30.8 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -49.2 | 106.6 | 165.7 | -60.6 | 172.4 | -177.7 | 0 | 0 | 108.5 | I237 | I237-E239 PolarHBondContact O-N 3.42Š| ||
| 240 | L | 31.3 | Very low | 30.7 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -118.2 | 70.1 | 162.4 | -128.9 | 121.2 | 0 | 0 | 0 | 106.3 | S238 G242 | S238-L240 PolarHBondContact O-N 2.93Å; L240-G242 PolarHBondContact O-N 3.44Å | ||
| 241 | E | 27.3 | Very low | 30.6 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -65.9 | 88.3 | 163.4 | -169.2 | 163.3 | -162.2 | 0 | 0 | 106.8 | ||||
| 242 | G | 30.2 | Very low | 30.3 | Very low | 56 Ų | 56 | 130 Ų | 130 | 58% | 0.577 | 76% | 0.758 | S | S | * | * | trans | -108.3 | 96.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | L240 V244 | L240-G242 PolarHBondContact O-N 3.44Å; G242-V244 PolarHBondContact O-N 2.97Å; G242-V244 VanDerWaalsContact O-N 3.08Å | ||
| 243 | D | 29 | Very low | 30.2 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -54.9 | 106.5 | 168.1 | -72.4 | -40 | 0 | 0 | 0 | 110 | ||||
| 244 | V | 33.7 | Very low | 29.9 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -124.4 | 95.7 | 164.8 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | G242 | G242-V244 PolarHBondContact O-N 2.97Å; G242-V244 VanDerWaalsContact O-N 3.08Å | ||
| 245 | A | 31.6 | Very low | 29.7 | Very low | 77 Ų | 77 | 126 Ų | 126 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -10.2 | 128.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | T247 | A245-T247 PolarHBondContact O-N 3.34Å; A245-T247 VanDerWaalsContact O-N 3.12Å | ||
| 246 | D | 30.2 | Very low | 29.4 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -44.7 | 110.2 | 158.4 | -59.2 | -54.1 | 0 | 0 | 0 | 111.1 | ||||
| 247 | T | 31.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -118.1 | 89 | 160.2 | 44.6 | 0 | 0 | 0 | 0 | 108 | A245 S249 | A245-T247 PolarHBondContact O-N 3.34Å; A245-T247 VanDerWaalsContact O-N 3.12Å; T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 3.41Å | ||
| 248 | E | 27.9 | Very low | 29.1 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -61.1 | 89.8 | 166.5 | -59.7 | -179.8 | 175.6 | 0 | 0 | 109 | ||||
| 249 | S | 31.3 | Very low | 28.8 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -97.1 | 87 | 169.4 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | T247 V251 | T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 3.41Å; S249-V251 VanDerWaalsContact C-N 3.3Å; S249-V251 PolarHBondContact O-N 2.91Å; S249-V251 WeakPolarHBondContact OG-CG2 3.5Å | ||
| 250 | V | 28.9 | Very low | 28.7 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -71.2 | 86.2 | 169.8 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | S252 | V250-S252 PolarHBondContact O-N 3.14Š| ||
| 251 | V | 29.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | trans | -89.8 | 92.1 | 167.5 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | S249 V253 | S249-V251 VanDerWaalsContact C-N 3.3Å; S249-V251 PolarHBondContact O-N 2.91Å; S249-V251 WeakPolarHBondContact OG-CG2 3.5Å; V251-V253 HydrophobicContact CG1-CG2 3.81Å; V251-V253 PolarHBondContact O-N 3.03Å; V251-V253 VanDerWaalsContact O-N 3.11Å | ||
| 252 | S | 24.3 | Very low | 28.5 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -67.2 | 98.7 | 168.1 | -37.7 | 0 | 0 | 0 | 0 | 108.9 | V250 | V250-S252 PolarHBondContact O-N 3.14Š| ||
| 253 | V | 28.3 | Very low | 28.5 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -90.3 | 109.6 | 170.4 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | V251 | V251-V253 HydrophobicContact CG1-CG2 3.81Å; V251-V253 PolarHBondContact O-N 3.03Å; V251-V253 VanDerWaalsContact O-N 3.11Å | ||
| 254 | S | 24.2 | Very low | 28.4 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | trans | -46.2 | 127.3 | 172.2 | 177.6 | 0 | 0 | 0 | 0 | 112.8 | N256 | S254-N256 PolarHBondContact O-N 3.44Å; S254-N256 VanDerWaalsContact O-N 3.09Å; S254-N256 PolarHBondContact OG-OD1 3.43Å | ||
| 255 | V | 26.3 | Very low | 28 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | -71.5 | 93.7 | 167.2 | 178.5 | 0 | 0 | 0 | 0 | 108 | N257 | V255-N257 WeakPolarHBondContact CG1-OD1 3.49Å; V255-N257 PolarHBondContact O-N 2.81Å | ||
| 256 | N | 28.7 | Very low | 27.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -83.9 | 93.2 | 165 | -73.2 | 3.6 | 0 | 0 | 0 | 108 | S254 T258 | S254-N256 PolarHBondContact O-N 3.44Å; S254-N256 VanDerWaalsContact O-N 3.09Å; S254-N256 PolarHBondContact OG-OD1 3.43Å; N256-T258 PolarHBondContact O-N 3.23Å | ||
| 257 | N | 25.8 | Very low | 27.8 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -64 | 109.1 | 158.5 | -67 | -30.3 | 0 | 0 | 0 | 107 | V255 | V255-N257 WeakPolarHBondContact CG1-OD1 3.49Å; V255-N257 PolarHBondContact O-N 2.81Å | ||
| 258 | T | 27.6 | Very low | 27.5 | Very low | 102 Ų | 102 | 132 Ų | 132 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | -128.4 | 89.9 | 163.7 | -56.1 | 0 | 0 | 0 | 0 | 106.7 | N256 Q260 | N256-T258 PolarHBondContact O-N 3.23Å; T258-Q260 VanDerWaalsContact C-N 3.33Å; T258-Q260 HydrophobicContact CG2-CG 4.18Å; T258-Q260 PolarHBondContact O-N 2.78Å | ||
| 259 | D | 26.5 | Very low | 27.7 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -58.9 | 97.2 | 160.8 | -59.3 | -50.7 | 0 | 0 | 0 | 107.5 | ||||
| 260 | Q | 28.9 | Very low | 27.5 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -120.6 | 85 | 163 | -95.7 | -176 | -17.5 | 0 | 0 | 108.1 | T258 S262 | T258-Q260 VanDerWaalsContact C-N 3.33Å; T258-Q260 HydrophobicContact CG2-CG 4.18Å; T258-Q260 PolarHBondContact O-N 2.78Å; Q260-S262 PolarHBondContact O-N 3.04Å | ||
| 261 | E | 24 | Very low | 27.4 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 94% | 0.944 | 76% | 0.763 | S | S | * | * | trans | -60.7 | 106.4 | 150.6 | -69.3 | -178.6 | 151.8 | 0 | 0 | 107.7 | ||||
| 262 | S | 30.9 | Very low | 27.5 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -119.9 | 114.1 | 161.4 | 65.5 | 0 | 0 | 0 | 0 | 109.2 | Q260 | Q260-S262 PolarHBondContact O-N 3.04Š| ||
| 263 | S | 28.8 | Very low | 27.6 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -55.9 | 141.8 | 178.3 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 264 | D | 27.8 | Very low | 27.7 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 34.3 | 90 | 136.8 | -61.3 | -23.8 | 0 | 0 | 0 | 117.7 | ||||
| 265 | F | 25.1 | Very low | 27.7 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -98.7 | 88 | 156.8 | -127.9 | -92.8 | 0 | 0 | 0 | 109.1 | ||||
| 266 | T | 26.3 | Very low | 28 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -84.1 | 108.2 | 160.6 | 28.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 267 | S | 31.2 | Very low | 28 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -119.2 | 93.3 | 166.1 | 62.3 | 0 | 0 | 0 | 0 | 109 | Q269 | S267-Q269 PolarHBondContact O-N 3.45Š| ||
| 268 | D | 25.6 | Very low | 28.1 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -61.7 | 104.8 | 159.6 | -71.8 | -42.3 | 0 | 0 | 0 | 108.8 | ||||
| 269 | Q | 32.8 | Very low | 28.4 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -112.7 | 104.6 | 160.8 | -87.6 | -171.4 | -4.6 | 0 | 0 | 110.8 | S267 | S267-Q269 PolarHBondContact O-N 3.45Š| ||
| 270 | K | 26.7 | Very low | 28.5 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -47.7 | 139.4 | 166.4 | -92.5 | 168.9 | 168.7 | 171.2 | 0 | 113.4 | ||||
| 271 | S | 25.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 155.3 Ų | 155.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | 50.7 | 114 | 125.7 | -174.4 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 272 | S | 31.1 | Very low | 29.1 | Very low | 107 Ų | 107 | 155.8 Ų | 155.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -144.8 | 100.8 | 141.8 | -177.2 | 0 | 0 | 0 | 0 | 109 | Q274 | S272-Q274 PolarHBondContact O-N 3.38Š| ||
| 273 | D | 26.6 | Very low | 29.2 | Very low | 146 Ų | 146 | 158.1 Ų | 158.1 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -59.1 | 116.8 | 158.8 | -92.2 | -38.4 | 0 | 0 | 0 | 108.4 | ||||
| 274 | Q | 30.9 | Very low | 29.4 | Very low | 166 Ų | 166 | 159 Ų | 159 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -130.9 | 89.1 | 161.8 | -135.8 | -178.2 | 19.9 | 0 | 0 | 110.1 | S272 V276 | S272-Q274 PolarHBondContact O-N 3.38Å; Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 HydrophobicContact CG-CG2 4.05Å; Q274-V276 PolarHBondContact O-N 3.39Å | ||
| 275 | T | 23.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 161 Ų | 161 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 84.2 | 169.6 | -36.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 276 | V | 33.2 | Very low | 30.3 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | trans | -106.6 | 103.6 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 110 | Q274 | Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 HydrophobicContact CG-CG2 4.05Å; Q274-V276 PolarHBondContact O-N 3.39Å | ||
| 277 | R | 28.8 | Very low | 30.9 | Very low | 231 Ų | 231 | 155 Ų | 155 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | 24.1 | 122.3 | 145.8 | -67.8 | -176.8 | 169.4 | 172.8 | -2.9 | 119.1 | E279 | R277-E279 PolarHBondContact O-N 3.26Š| ||
| 278 | R | 27.7 | Very low | 31 | Very low | 233 Ų | 233 | 160 Ų | 160 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -44.5 | 121.4 | 160.1 | -62.1 | 171.2 | -176.3 | 134.8 | 1.4 | 111.7 | ||||
| 279 | E | 34.5 | Very low | 31.6 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -120.3 | 114.9 | 151 | -69.7 | -169.9 | 167.9 | 0 | 0 | 107.4 | R277 E281 | R277-E279 PolarHBondContact O-N 3.26Å; E279-E281 VanDerWaalsContact C-N 3.29Å; E279-E281 PolarHBondContact O-N 3.33Å | ||
| 280 | D | 29.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 153.6 Ų | 153.6 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -75.6 | 75.2 | 179.1 | -67 | -48.5 | 0 | 0 | 0 | 109.5 | ||||
| 281 | E | 34.6 | Very low | 32.7 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | -94.3 | 103.1 | 167.1 | -79.7 | -163.3 | 153.6 | 0 | 0 | 110.7 | E279 L283 | E279-E281 VanDerWaalsContact C-N 3.29Å; E279-E281 PolarHBondContact O-N 3.33Å; E281-L283 PolarHBondContact O-N 3.08Å | ||
| 282 | K | 29.6 | Very low | 33.8 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | trans | -51 | 91.6 | 164.9 | -75 | 170.8 | 172.4 | 175.2 | 0 | 110.4 | D284 | K282-D284 PolarHBondContact O-N 2.77Š| ||
| 283 | L | 33.1 | Very low | 34.4 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -81.5 | 106.7 | 164 | -74.5 | 173.4 | 0 | 0 | 0 | 108.9 | E281 E285 | E281-L283 PolarHBondContact O-N 3.08Å; L283-E285 PolarHBondContact O-N 2.89Å | ||
| 284 | D | 33.8 | Very low | 35.3 | Very low | 120 Ų | 120 | 155.1 Ų | 155.1 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | trans | -30.1 | 117.2 | 172.1 | -170.9 | 8.1 | 0 | 0 | 0 | 113.7 | K282 N286 | K282-D284 PolarHBondContact O-N 2.77Å; D284-N286 PolarHBondContact O-N 3.49Å; D284-N286 PolarHBondContact OD1-ND2 2.72Å | ||
| 285 | E | 36.5 | Very low | 36.3 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 13.9 | -178.5 | -74.3 | -157.6 | 154.8 | 0 | 0 | 114.6 | L283 | L283-E285 PolarHBondContact O-N 2.89Š|
| 286 | N | 35.5 | Very low | 37.8 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 3.7 | -173.6 | -72 | -46.6 | 0 | 0 | 0 | 115.7 | D284 K288 | D284-N286 PolarHBondContact O-N 3.49Å; D284-N286 PolarHBondContact OD1-ND2 2.72Å; N286-K288 PolarHBondContact O-N 2.93Å |
| 287 | A | 37.6 | Very low | 38.9 | Very low | 76 Ų | 76 | 156.8 Ų | 156.8 | 63% | 0.628 | 75% | 0.75 | S | S | * | * | trans | -77 | 71.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I289 | A287-I289 HydrophobicContact CB-CD1 4.38Å; A287-I289 HydrophobicContact CB-CG1 4.27Å; A287-I289 PolarHBondContact O-N 2.88Å | ||
| 288 | K | 34.6 | Very low | 40.2 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -59.9 | 77 | 157.4 | -78.3 | 173 | 174.3 | 168 | 0 | 108.2 | N286 S290 | N286-K288 PolarHBondContact O-N 2.93Å; K288-S290 PolarHBondContact O-N 3.23Å | ||
| 289 | I | 37.8 | Very low | 41.5 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | trans | -71 | 91.1 | 168.6 | -62.4 | 157.9 | 0 | 0 | 0 | 104.6 | A287 P291 | A287-I289 HydrophobicContact CB-CD1 4.38Å; A287-I289 HydrophobicContact CB-CG1 4.27Å; A287-I289 PolarHBondContact O-N 2.88Å; I289-P291 VanDerWaalsContact O-CD 3.29Å; I289-P291 WeakPolarHBondContact O-CD 3.47Å; I289-P291 VanDerWaalsContact O-N 3.15Å | ||
| 290 | S | 37.5 | Very low | 42.6 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | trans | -56.6 | 115.9 | 171.8 | 58.9 | 0 | 0 | 0 | 0 | 107.8 | K288 E292 | K288-S290 PolarHBondContact O-N 3.23Å; S290-E292 PolarHBondContact O-N 3.45Å | ||
| 291 | P | 43.9 | Very low | 43.8 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 16.3 | -169.7 | 31.1 | -33.2 | 0 | 0 | 0 | 113.5 | I289 | I289-P291 VanDerWaalsContact O-CD 3.29Å; I289-P291 WeakPolarHBondContact O-CD 3.47Å; I289-P291 VanDerWaalsContact O-N 3.15Å |
| 292 | E | 48.5 | Very low | 44.5 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -4 | -164.2 | -132.3 | 172.4 | -169.5 | 0 | 0 | 115.2 | S290 F294 | S290-E292 PolarHBondContact O-N 3.45Å; E292-F294 PolarHBondContact O-N 3.21Å; E292-F294 VanDerWaalsContact O-N 3.14Å |
| 293 | I | 44.6 | Very low | 45.7 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 71% | 0.708 | 66% | 0.663 | S | S | * | * | trans | -89.7 | 53.5 | 169 | -40.5 | 175 | 0 | 0 | 0 | 108.4 | D295 | I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 3.27Å | ||
| 294 | F | 44.6 | Very low | 46.7 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 68% | 0.684 | 65% | 0.648 | S | S | * | * | trans | -64.5 | 107.6 | 153.7 | -109.7 | -87.7 | 0 | 0 | 0 | 105.3 | E292 R296 | E292-F294 PolarHBondContact O-N 3.21Å; E292-F294 VanDerWaalsContact O-N 3.14Å; F294-R296 PolarHBondContact O-N 3.37Å | ||
| 295 | D | 52.1 | Low | 47.7 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 45% | 0.449 | 64% | 0.639 | S | S | . | * | trans | -46.3 | 114.7 | -172.1 | -120.5 | -31.2 | 0 | 0 | 0 | 109.5 | I293 K297 L298 L299 | I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 3.27Å; D295-K297 PolarHBondContact O-N 3.1Å; D295-L298 HydrophobicContact CB-CB 4.19Å; D295-L298 HydrophobicContact CB-CD1 3.99Å; D295-L298 HydrophobicContact CB-CG 3.89Å; D295-L298 WeakPolarHBondContact O-CB 3.36Å; D295-L298 PolarHBondContact O-N 2.84Å; D295-L299 PolarHBondContact O-N 3.39Å; D295-L299 VanDerWaalsContact O-N 3.08Å | ||
| 296 | R | 55.3 | Low | 48.6 | Very low | 212 Ų | 212 | 121.4 Ų | 121.4 | 80% | 0.8 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -53.1 | -24.1 | 175.6 | -82.3 | -176.3 | 175.7 | -174.4 | -0.5 | 111.5 | F294 K300 | F294-R296 PolarHBondContact O-N 3.37Å; R296-K300 WeakPolarHBondContact O-CG 3.25Å; R296-K300 PolarHBondContact O-N 2.82Å |
| 297 | K | 58 | Low | 49.9 | Very low | 152 Ų | 152 | 120.5 Ų | 120.5 | 66% | 0.661 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -52.3 | 172.5 | -67.5 | -176.2 | 178.9 | -179 | 0 | 111.7 | D295 L299 K300 E301 | D295-K297 PolarHBondContact O-N 3.1Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 3.47Å; K297-K300 PolarHBondContact O-N 3.37Å; K297-K300 VanDerWaalsContact O-N 3.08Å; K297-E301 PolarHBondContact O-N 3.06Å |
| 298 | L | 55 | Low | 51.5 | Low | 86 Ų | 86 | 120.9 Ų | 120.9 | 45% | 0.45 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.8 | -38.9 | 175.3 | -67.1 | 176.6 | 0 | 0 | 0 | 111.4 | D295 K300 E301 C302 | D295-L298 HydrophobicContact CB-CB 4.19Å; D295-L298 HydrophobicContact CB-CD1 3.99Å; D295-L298 HydrophobicContact CB-CG 3.89Å; D295-L298 WeakPolarHBondContact O-CB 3.36Å; D295-L298 PolarHBondContact O-N 2.84Å; L298-K300 PolarHBondContact O-N 2.83Å; L298-E301 PolarHBondContact O-N 3.44Å; L298-C302 WeakPolarHBondContact O-CB 3.36Å; L298-C302 PolarHBondContact O-N 3.19Å; L298-C302 PolarHBondContact O-SG 3.1Å |
| 299 | L | 55.1 | Low | 53.6 | Low | 103 Ų | 103 | 115.8 Ų | 115.8 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.4 | -36.3 | 175.4 | -77.7 | 171 | 0 | 0 | 0 | 113.1 | D295 K297 K303 | D295-L299 PolarHBondContact O-N 3.39Å; D295-L299 VanDerWaalsContact O-N 3.08Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 3.47Å; L299-K303 WeakPolarHBondContact O-CB 3.39Å; L299-K303 PolarHBondContact O-N 3.13Å |
| 300 | K | 56.6 | Low | 55.7 | Low | 150 Ų | 150 | 111.6 Ų | 111.6 | 65% | 0.652 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.8 | -47 | 175.1 | -80.2 | -177.2 | 177.5 | -172.2 | 0 | 111.1 | R296 K297 L298 K303 I304 | R296-K300 WeakPolarHBondContact O-CG 3.25Å; R296-K300 PolarHBondContact O-N 2.82Å; K297-K300 PolarHBondContact O-N 3.37Å; K297-K300 VanDerWaalsContact O-N 3.08Å; L298-K300 PolarHBondContact O-N 2.83Å; K300-K303 PolarHBondContact O-N 3.12Å; K300-I304 WeakPolarHBondContact O-CD1 3.44Å; K300-I304 WeakPolarHBondContact O-CG1 3.28Å; K300-I304 PolarHBondContact O-N 2.77Å |
| 301 | E | 55.3 | Low | 57.8 | Low | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 176.6 | -75.6 | 171.8 | -174.6 | 0 | 0 | 110.7 | K297 L298 K303 I304 V305 | K297-E301 PolarHBondContact O-N 3.06Å; L298-E301 PolarHBondContact O-N 3.44Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 3.05Å; E301-I304 PolarHBondContact O-N 3.29Å; E301-V305 WeakPolarHBondContact O-CB 3.29Å; E301-V305 VanDerWaalsContact O-CG2 3.24Å; E301-V305 WeakPolarHBondContact O-CG2 3.23Å; E301-V305 PolarHBondContact O-N 3.13Å |
| 302 | C | 49.8 | Very low | 59.7 | Low | 74 Ų | 74 | 112.1 Ų | 112.1 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 175 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | L298 L306 | L298-C302 WeakPolarHBondContact O-CB 3.36Å; L298-C302 PolarHBondContact O-N 3.19Å; L298-C302 PolarHBondContact O-SG 3.1Å; C302-L306 VanDerWaalsContact O-CB 3.27Å; C302-L306 WeakPolarHBondContact O-CB 3.41Å; C302-L306 PolarHBondContact O-N 3.01Å |
| 303 | K | 54.9 | Low | 61.3 | Low | 133 Ų | 133 | 104 Ų | 104 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 179.1 | -174.3 | -179.5 | 175.6 | -167 | 0 | 111.8 | L299 K300 E301 E307 | L299-K303 WeakPolarHBondContact O-CB 3.39Å; L299-K303 PolarHBondContact O-N 3.13Å; K300-K303 PolarHBondContact O-N 3.12Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 3.05Å; K303-E307 WeakPolarHBondContact CE-OE1 3.46Å; K303-E307 IonicContact NZ-OE1 3.8Å; K303-E307 WeakPolarHBondContact O-CG 3.41Å; K303-E307 PolarHBondContact O-N 3.06Å; K303-E307 VanDerWaalsContact O-N 3.13Å |
| 304 | I | 53.9 | Low | 63.2 | Low | 100 Ų | 100 | 99.8 Ų | 99.8 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -48.9 | 179.8 | -64.9 | 161.2 | 0 | 0 | 0 | 109.9 | K300 E301 L306 E307 D308 | K300-I304 WeakPolarHBondContact O-CD1 3.44Å; K300-I304 WeakPolarHBondContact O-CG1 3.28Å; K300-I304 PolarHBondContact O-N 2.77Å; E301-I304 PolarHBondContact O-N 3.29Å; I304-L306 VanDerWaalsContact C-N 3.29Å; I304-L306 PolarHBondContact O-N 3.24Å; I304-E307 PolarHBondContact O-N 3.14Å; I304-D308 PolarHBondContact O-N 3.34Å; I304-D308 VanDerWaalsContact O-N 3.11Å |
| 305 | V | 54.9 | Low | 65.2 | Low | 74 Ų | 74 | 103 Ų | 103 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | E301 D308 E309 | E301-V305 WeakPolarHBondContact O-CB 3.29Å; E301-V305 VanDerWaalsContact O-CG2 3.24Å; E301-V305 WeakPolarHBondContact O-CG2 3.23Å; E301-V305 PolarHBondContact O-N 3.13Å; V305-D308 PolarHBondContact O-N 3.18Å; V305-E309 HydrophobicContact CG1-CG 4.38Å; V305-E309 WeakPolarHBondContact CG1-OE1 3.24Å; V305-E309 WeakPolarHBondContact O-CB 3.43Å; V305-E309 WeakPolarHBondContact O-CG 3.48Å; V305-E309 PolarHBondContact O-N 3.25Å |
| 306 | L | 55.9 | Low | 66.8 | Low | 62 Ų | 62 | 103.9 Ų | 103.9 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.7 | -38.8 | -178.7 | -130.7 | 101.9 | 0 | 0 | 0 | 113.7 | C302 I304 D308 Y310 L334 P336 | C302-L306 VanDerWaalsContact O-CB 3.27Å; C302-L306 WeakPolarHBondContact O-CB 3.41Å; C302-L306 PolarHBondContact O-N 3.01Å; I304-L306 VanDerWaalsContact C-N 3.29Å; I304-L306 PolarHBondContact O-N 3.24Å; L306-D308 VanDerWaalsContact C-N 3.32Å; L306-Y310 VanDerWaalsContact O-CB 3.31Å; L306-Y310 WeakPolarHBondContact O-CB 3.26Å; L306-Y310 PolarHBondContact O-N 3.01Å; L306-Y310 VanDerWaalsContact O-N 3.08Å; L306-L334 WeakPolarHBondContact CD2-O 3.41Å; L306-P336 HydrophobicContact CD2-CG 4.18Å |
| 307 | E | 61.1 | Low | 68.2 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 176.4 | -75 | 178.4 | -175 | 0 | 0 | 109.3 | K303 I304 D311 | K303-E307 WeakPolarHBondContact CE-OE1 3.46Å; K303-E307 IonicContact NZ-OE1 3.8Å; K303-E307 WeakPolarHBondContact O-CG 3.41Å; K303-E307 PolarHBondContact O-N 3.06Å; K303-E307 VanDerWaalsContact O-N 3.13Å; I304-E307 PolarHBondContact O-N 3.14Å; E307-D311 VanDerWaalsContact O-CB 3.3Å; E307-D311 WeakPolarHBondContact O-CB 3.4Å; E307-D311 VanDerWaalsContact O-CG 3.26Å; E307-D311 PolarHBondContact O-N 2.86Å |
| 308 | D | 72.3 | Confident | 69.6 | Low | 84 Ų | 84 | 93.2 Ų | 93.2 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 178.7 | -68.1 | -20.6 | 0 | 0 | 0 | 112.9 | I304 V305 L306 D311 Q312 | I304-D308 PolarHBondContact O-N 3.34Å; I304-D308 VanDerWaalsContact O-N 3.11Å; V305-D308 PolarHBondContact O-N 3.18Å; L306-D308 VanDerWaalsContact C-N 3.32Å; D308-D311 PolarHBondContact O-N 2.81Å; D308-Q312 WeakPolarHBondContact O-CB 3.28Å; D308-Q312 WeakPolarHBondContact O-CG 3.42Å; D308-Q312 PolarHBondContact O-N 3.46Å |
| 309 | E | 79.5 | Confident | 71 | Confident | 87 Ų | 87 | 97.3 Ų | 97.3 | 41% | 0.407 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 179.1 | -77.5 | -178 | -168.2 | 0 | 0 | 112.4 | V305 A313 L334 | V305-E309 HydrophobicContact CG1-CG 4.38Å; V305-E309 WeakPolarHBondContact CG1-OE1 3.24Å; V305-E309 WeakPolarHBondContact O-CB 3.43Å; V305-E309 WeakPolarHBondContact O-CG 3.48Å; V305-E309 PolarHBondContact O-N 3.25Å; E309-A313 WeakPolarHBondContact O-CB 3.42Å; E309-A313 PolarHBondContact O-N 2.91Å; E309-L334 HydrophobicContact CB-CD2 4.03Å |
| 310 | Y | 79.8 | Confident | 72.5 | Confident | 58 Ų | 58 | 98.1 Ų | 98.1 | 23% | 0.227 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 177.7 | -177.5 | -97.5 | 0 | 0 | 0 | 111.4 | L306 A313 L314 M321 L335 | L306-Y310 VanDerWaalsContact O-CB 3.31Å; L306-Y310 WeakPolarHBondContact O-CB 3.26Å; L306-Y310 PolarHBondContact O-N 3.01Å; L306-Y310 VanDerWaalsContact O-N 3.08Å; Y310-A313 PolarHBondContact O-N 3.35Å; Y310-L314 HydrophobicContact CD1-CD1 3.73Å; Y310-L314 HydrophobicContact CD1-CG 4.44Å; Y310-L314 HydrophobicContact CE1-CD1 3.26Å; Y310-L314 HydrophobicContact CE1-CG 3.99Å; Y310-L314 PolarHBondContact O-N 2.94Å; Y310-M321 HydrophobicContact CD2-CE 3.56Å; Y310-M321 HydrophobicContact CE2-CE 3.33Å; Y310-L335 HydrophobicContact CD2-CD2 3.65Å; Y310-L335 HydrophobicContact CD2-CG 4.2Å; Y310-L335 HydrophobicContact CE2-CD1 4.26Å; Y310-L335 HydrophobicContact CE2-CD2 3.83Å; Y310-L335 HydrophobicContact CE2-CG 4.19Å; Y310-L335 HydrophobicContact CG-CD2 4.39Å |
| 311 | D | 82.2 | Confident | 73.8 | Confident | 81 Ų | 81 | 91 Ų | 91 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.7 | -37.4 | 178.5 | -75.6 | -9.6 | 0 | 0 | 0 | 112.1 | E307 D308 A313 L314 R315 | E307-D311 VanDerWaalsContact O-CB 3.3Å; E307-D311 WeakPolarHBondContact O-CB 3.4Å; E307-D311 VanDerWaalsContact O-CG 3.26Å; E307-D311 PolarHBondContact O-N 2.86Å; D308-D311 PolarHBondContact O-N 2.81Å; D311-A313 VanDerWaalsContact C-N 3.35Å; D311-L314 WeakPolarHBondContact O-CB 3.12Å; D311-L314 PolarHBondContact O-N 3.49Å; D311-R315 WeakPolarHBondContact O-CG 3.38Å; D311-R315 PolarHBondContact O-N 3.36Å |
| 312 | Q | 84.4 | Confident | 75.2 | Confident | 122 Ų | 122 | 91.7 Ų | 91.7 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 170.6 | -74.2 | 173.3 | 30.3 | 0 | 0 | 111.6 | D308 R315 C316 | D308-Q312 WeakPolarHBondContact O-CB 3.28Å; D308-Q312 WeakPolarHBondContact O-CG 3.42Å; D308-Q312 PolarHBondContact O-N 3.46Å; Q312-R315 PolarHBondContact O-N 2.91Å; Q312-C316 PolarHBondContact O-N 3.48Å; Q312-C316 PolarHBondContact O-SG 2.97Å |
| 313 | A | 82.2 | Confident | 76.8 | Confident | 8 Ų | 8 | 90.6 Ų | 90.6 | 7% | 0.066 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E309 Y310 D311 R315 C316 Y317 M321 L334 | E309-A313 WeakPolarHBondContact O-CB 3.42Å; E309-A313 PolarHBondContact O-N 2.91Å; Y310-A313 PolarHBondContact O-N 3.35Å; D311-A313 VanDerWaalsContact C-N 3.35Å; A313-R315 VanDerWaalsContact C-N 3.33Å; A313-C316 PolarHBondContact O-N 2.82Å; A313-Y317 HydrophobicContact CB-CD2 4.12Å; A313-Y317 HydrophobicContact CB-CE2 4.43Å; A313-Y317 WeakPolarHBondContact O-CB 3.37Å; A313-Y317 VanDerWaalsContact O-CD2 3.3Å; A313-Y317 WeakPolarHBondContact O-CD2 3.4Å; A313-Y317 PolarHBondContact O-N 3.38Å; A313-M321 HydrophobicContact CB-CE 4.09Å; A313-M321 HydrophobicContact CB-SD 4.49Å; A313-L334 HydrophobicContact CB-CD1 3.25Å |
| 314 | L | 84.7 | Confident | 78.2 | Confident | 48 Ų | 48 | 90 Ų | 90 | 25% | 0.251 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 171.2 | -98.1 | 166.4 | 0 | 0 | 0 | 111.6 | Y310 D311 G318 M321 E322 | Y310-L314 HydrophobicContact CD1-CD1 3.73Å; Y310-L314 HydrophobicContact CD1-CG 4.44Å; Y310-L314 HydrophobicContact CE1-CD1 3.26Å; Y310-L314 HydrophobicContact CE1-CG 3.99Å; Y310-L314 PolarHBondContact O-N 2.94Å; D311-L314 WeakPolarHBondContact O-CB 3.12Å; D311-L314 PolarHBondContact O-N 3.49Å; L314-G318 WeakPolarHBondContact O-CA 3.44Å; L314-G318 PolarHBondContact O-N 3.07Å; L314-M321 HydrophobicContact CD2-CB 3.89Å; L314-M321 HydrophobicContact CG-CB 4.15Å; L314-E322 HydrophobicContact CD2-CG 4.44Å |
| 315 | R | 85.4 | Confident | 79.5 | Confident | 224 Ų | 224 | 88 Ų | 88 | 85% | 0.845 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.2 | -38.4 | 175.4 | -68.5 | 176.4 | -172.3 | -162.6 | 3.6 | 112.5 | D311 Q312 A313 | D311-R315 WeakPolarHBondContact O-CG 3.38Å; D311-R315 PolarHBondContact O-N 3.36Å; Q312-R315 PolarHBondContact O-N 2.91Å; A313-R315 VanDerWaalsContact C-N 3.33Å |
| 316 | C | 86.7 | Confident | 80.8 | Confident | 102 Ų | 102 | 86.5 Ų | 86.5 | 69% | 0.689 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -78.3 | -44.8 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | Q312 A313 | Q312-C316 PolarHBondContact O-N 3.48Å; Q312-C316 PolarHBondContact O-SG 2.97Å; A313-C316 PolarHBondContact O-N 2.82Å |
| 317 | Y | 84.8 | Confident | 82.1 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 44% | 0.443 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -102.3 | -11.8 | -172.3 | -60.5 | -67.7 | 0 | 0 | 0 | 113.5 | A313 W319 R320 M321 L330 | A313-Y317 HydrophobicContact CB-CD2 4.12Å; A313-Y317 HydrophobicContact CB-CE2 4.43Å; A313-Y317 WeakPolarHBondContact O-CB 3.37Å; A313-Y317 VanDerWaalsContact O-CD2 3.3Å; A313-Y317 WeakPolarHBondContact O-CD2 3.4Å; A313-Y317 PolarHBondContact O-N 3.38Å; Y317-W319 PolarHBondContact O-N 2.88Å; Y317-R320 WeakPolarHBondContact O-CB 3.46Å; Y317-R320 PolarHBondContact O-N 2.91Å; Y317-M321 HydrophobicContact CD2-CG 4.44Å; Y317-L330 HydrophobicContact CD1-CD1 4.04Å; Y317-L330 HydrophobicContact CD1-CD2 4.29Å; Y317-L330 HydrophobicContact CD2-CD1 4.47Å; Y317-L330 HydrophobicContact CD2-CD2 4.49Å; Y317-L330 HydrophobicContact CE1-CD2 3.98Å; Y317-L330 HydrophobicContact CE2-CD2 4.22Å; Y317-L330 HydrophobicContact CG-CD1 4Å |
| 318 | G | 86.9 | Confident | 83.2 | Confident | 28 Ų | 28 | 86.4 Ų | 86.4 | 29% | 0.289 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | 55.4 | -132.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L314 R320 M321 | L314-G318 WeakPolarHBondContact O-CA 3.44Å; L314-G318 PolarHBondContact O-N 3.07Å; G318-R320 PolarHBondContact O-N 3.19Å; G318-M321 PolarHBondContact O-N 3.27Å |
| 319 | W | 85.6 | Confident | 83.6 | Confident | 171 Ų | 171 | 87.8 Ų | 87.8 | 65% | 0.648 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -56 | -20.2 | -178.4 | 69.5 | -92.1 | 0 | 0 | 0 | 114.4 | Y317 M321 E322 I323 | Y317-W319 PolarHBondContact O-N 2.88Å; W319-M321 PolarHBondContact O-N 3.1Å; W319-E322 WeakPolarHBondContact O-CB 3.38Å; W319-E322 PolarHBondContact O-N 2.97Å; W319-I323 HydrophobicContact CE3-CD1 4.14Å; W319-I323 HydrophobicContact CE3-CG1 4.18Å; W319-I323 HydrophobicContact CZ3-CD1 3.67Å; W319-I323 HydrophobicContact CZ3-CG1 4.13Å |
| 320 | R | 85 | Confident | 83.8 | Confident | 121 Ų | 121 | 85.2 Ų | 85.2 | 46% | 0.457 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -61.4 | -31.7 | 175.5 | -66.5 | -179.7 | 172.4 | -141.4 | 1.4 | 112 | Y317 G318 E322 L328 L330 | Y317-R320 WeakPolarHBondContact O-CB 3.46Å; Y317-R320 PolarHBondContact O-N 2.91Å; G318-R320 PolarHBondContact O-N 3.19Å; R320-E322 VanDerWaalsContact C-N 3.25Å; R320-E322 PolarHBondContact O-N 3.33Å; R320-L328 HydrophobicContact CB-CD1 3.81Å; R320-L328 HydrophobicContact CG-CD1 3.94Å; R320-L330 HydrophobicContact CB-CD1 4.02Å |
| 321 | M | 85 | Confident | 83.9 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -76.1 | -9.3 | 174.3 | -72.9 | -63.2 | -71.5 | 0 | 0 | 113.1 | Y310 A313 L314 Y317 G318 W319 L330 K331 L334 | Y310-M321 HydrophobicContact CD2-CE 3.56Å; Y310-M321 HydrophobicContact CE2-CE 3.33Å; A313-M321 HydrophobicContact CB-CE 4.09Å; A313-M321 HydrophobicContact CB-SD 4.49Å; L314-M321 HydrophobicContact CD2-CB 3.89Å; L314-M321 HydrophobicContact CG-CB 4.15Å; Y317-M321 HydrophobicContact CD2-CG 4.44Å; G318-M321 PolarHBondContact O-N 3.27Å; W319-M321 PolarHBondContact O-N 3.1Å; M321-L330 HydrophobicContact SD-CB 3.67Å; M321-K331 HydrophobicContact CE-CG 4.1Å; M321-K331 WeakPolarHBondContact O-CE 3.49Å; M321-K331 PolarHBondContact O-NZ 2.84Å; M321-K331 HydrophobicContact SD-CG 4.04Å; M321-L334 HydrophobicContact CE-CD1 3.5Å; M321-L334 HydrophobicContact SD-CD1 4.31Å |
| 322 | E | 83.4 | Confident | 83.8 | Confident | 132 Ų | 132 | 82.4 Ų | 82.4 | 62% | 0.617 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -17.9 | 178.5 | -60.9 | -178.2 | 173 | 0 | 0 | 112.8 | L314 W319 R320 P324 | L314-E322 HydrophobicContact CD2-CG 4.44Å; W319-E322 WeakPolarHBondContact O-CB 3.38Å; W319-E322 PolarHBondContact O-N 2.97Å; R320-E322 VanDerWaalsContact C-N 3.25Å; R320-E322 PolarHBondContact O-N 3.33Å; E322-P324 WeakPolarHBondContact O-CD 3.32Å |
| 323 | I | 85.2 | Confident | 83.6 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 26% | 0.256 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -58.8 | 122.1 | -176.7 | -57 | 174 | 0 | 0 | 0 | 111.1 | W319 P327 L328 K331 | W319-I323 HydrophobicContact CE3-CD1 4.14Å; W319-I323 HydrophobicContact CE3-CG1 4.18Å; W319-I323 HydrophobicContact CZ3-CD1 3.67Å; W319-I323 HydrophobicContact CZ3-CG1 4.13Å; I323-P327 HydrophobicContact CG2-CG 3.74Å; I323-L328 HydrophobicContact CD1-CD1 4.09Å; I323-K331 WeakPolarHBondContact O-CE 3.29Å; I323-K331 PolarHBondContact O-NZ 3.15Å |
| 324 | P | 82.8 | Confident | 83.4 | Confident | 121 Ų | 121 | 86.4 Ų | 86.4 | 79% | 0.786 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -56.7 | 141.3 | 179.5 | -26.5 | 34.6 | 0 | 0 | 0 | 113.4 | E322 | E322-P324 WeakPolarHBondContact O-CD 3.32Š|
| 325 | G | 81.5 | Confident | 83 | Confident | 59 Ų | 59 | 87.5 Ų | 87.5 | 61% | 0.608 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 75.9 | -149.8 | -170 | 0 | 0 | 0 | 0 | 0 | 111.1 | K331 | G325-K331 VanDerWaalsContact O-CD 3.31Å; G325-K331 WeakPolarHBondContact O-CD 3.49Å |
| 326 | D | 83.4 | Confident | 82.5 | Confident | 42 Ų | 42 | 81.2 Ų | 81.2 | 23% | 0.225 | 44% | 0.438 | C | S | . | . | trans | -147.2 | 70.6 | 177.2 | -170.6 | 23.2 | 0 | 0 | 0 | 111.6 | L328 N329 L330 K331 S332 | D326-L328 VanDerWaalsContact C-N 3.26Å; D326-L328 PolarHBondContact O-N 2.86Å; D326-N329 WeakPolarHBondContact OD1-CA 3.17Å; D326-N329 PolarHBondContact OD1-N 3.42Å; D326-N329 VanDerWaalsContact OD1-N 3.13Å; D326-N329 VanDerWaalsContact OD2-CA 3.3Å; D326-N329 WeakPolarHBondContact OD2-CA 3.44Å; D326-L330 PolarHBondContact OD1-N 3.31Å; D326-K331 HydrophobicContact CB-CB 4.13Å; D326-K331 PolarHBondContact OD1-N 3.03Å; D326-K331 PolarHBondContact OD2-N 3.42Å; D326-S332 WeakPolarHBondContact OD2-CA 3.27Å; D326-S332 WeakPolarHBondContact OD2-CB 3.43Å; D326-S332 PolarHBondContact OD2-N 2.99Å; D326-S332 PolarHBondContact OD2-OG 3.04Å | ||
| 327 | P | 82.7 | Confident | 82.1 | Confident | 89 Ų | 89 | 85.1 Ų | 85.1 | 58% | 0.578 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17.8 | 179.3 | 28.4 | -33 | 0 | 0 | 0 | 113.6 | I323 | I323-P327 HydrophobicContact CG2-CG 3.74Š|
| 328 | L | 82.8 | Confident | 81.8 | Confident | 74 Ų | 74 | 91.5 Ų | 91.5 | 39% | 0.387 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.7 | -176.6 | -60.9 | 176.9 | 0 | 0 | 0 | 112.9 | R320 I323 D326 L330 | R320-L328 HydrophobicContact CB-CD1 3.81Å; R320-L328 HydrophobicContact CG-CD1 3.94Å; I323-L328 HydrophobicContact CD1-CD1 4.09Å; D326-L328 VanDerWaalsContact C-N 3.26Å; D326-L328 PolarHBondContact O-N 2.86Å; L328-L330 HydrophobicContact CB-CD1 3.87Å; L328-L330 HydrophobicContact CB-CG 3.79Å; L328-L330 HydrophobicContact CD1-CD1 4.03Å; L328-L330 PolarHBondContact O-N 3.28Å; L328-L330 VanDerWaalsContact O-N 3.14Å |
| 329 | N | 82.5 | Confident | 81.6 | Confident | 113 Ų | 113 | 97.2 Ų | 97.2 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 52.3 | 29.8 | -174.2 | -66.5 | -23.2 | 0 | 0 | 0 | 113.9 | D326 | D326-N329 WeakPolarHBondContact OD1-CA 3.17Å; D326-N329 PolarHBondContact OD1-N 3.42Å; D326-N329 VanDerWaalsContact OD1-N 3.13Å; D326-N329 VanDerWaalsContact OD2-CA 3.3Å; D326-N329 WeakPolarHBondContact OD2-CA 3.44Å |
| 330 | L | 82.9 | Confident | 81.6 | Confident | 33 Ų | 33 | 95.3 Ų | 95.3 | 17% | 0.173 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -90.5 | -31.8 | 179.2 | -62.6 | 176.3 | 0 | 0 | 0 | 110.9 | Y317 R320 M321 D326 L328 L334 | Y317-L330 HydrophobicContact CD1-CD1 4.04Å; Y317-L330 HydrophobicContact CD1-CD2 4.29Å; Y317-L330 HydrophobicContact CD2-CD1 4.47Å; Y317-L330 HydrophobicContact CD2-CD2 4.49Å; Y317-L330 HydrophobicContact CE1-CD2 3.98Å; Y317-L330 HydrophobicContact CE2-CD2 4.22Å; Y317-L330 HydrophobicContact CG-CD1 4Å; R320-L330 HydrophobicContact CB-CD1 4.02Å; M321-L330 HydrophobicContact SD-CB 3.67Å; D326-L330 PolarHBondContact OD1-N 3.31Å; L328-L330 HydrophobicContact CB-CD1 3.87Å; L328-L330 HydrophobicContact CB-CG 3.79Å; L328-L330 HydrophobicContact CD1-CD1 4.03Å; L328-L330 PolarHBondContact O-N 3.28Å; L328-L330 VanDerWaalsContact O-N 3.14Å; L330-L334 WeakPolarHBondContact O-CD1 3.39Å |
| 331 | K | 82.5 | Confident | 81.7 | Confident | 22 Ų | 22 | 99.3 Ų | 99.3 | 10% | 0.096 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -90 | -31.4 | -173.5 | -54.6 | -168.1 | -168.4 | -165.8 | 0 | 113.9 | M321 I323 G325 D326 K333 L334 L335 | M321-K331 HydrophobicContact CE-CG 4.1Å; M321-K331 WeakPolarHBondContact O-CE 3.49Å; M321-K331 PolarHBondContact O-NZ 2.84Å; M321-K331 HydrophobicContact SD-CG 4.04Å; I323-K331 WeakPolarHBondContact O-CE 3.29Å; I323-K331 PolarHBondContact O-NZ 3.15Å; G325-K331 VanDerWaalsContact O-CD 3.31Å; G325-K331 WeakPolarHBondContact O-CD 3.49Å; D326-K331 HydrophobicContact CB-CB 4.13Å; D326-K331 PolarHBondContact OD1-N 3.03Å; D326-K331 PolarHBondContact OD2-N 3.42Å; K331-K333 PolarHBondContact O-N 3.06Å; K331-L334 PolarHBondContact O-N 3.41Å; K331-L334 VanDerWaalsContact O-N 3.08Å; K331-L335 HydrophobicContact CB-CD1 4.04Å; K331-L335 HydrophobicContact CB-CG 4.42Å; K331-L335 HydrophobicContact CD-CD1 4.24Å; K331-L335 WeakPolarHBondContact O-CB 3.32Å; K331-L335 PolarHBondContact O-N 2.8Å |
| 332 | S | 80 | Confident | 81.8 | Confident | 59 Ų | 59 | 104.5 Ų | 104.5 | 41% | 0.413 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -25.4 | -174.4 | 45.9 | 0 | 0 | 0 | 0 | 114 | D326 | D326-S332 WeakPolarHBondContact OD2-CA 3.27Å; D326-S332 WeakPolarHBondContact OD2-CB 3.43Å; D326-S332 PolarHBondContact OD2-N 2.99Å; D326-S332 PolarHBondContact OD2-OG 3.04Å |
| 333 | K | 79 | Confident | 81.7 | Confident | 184 Ų | 184 | 103.3 Ų | 103.3 | 80% | 0.8 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -33.4 | 174.6 | -62.6 | -178.6 | -178.8 | 179.5 | 0 | 112.7 | K331 | K331-K333 PolarHBondContact O-N 3.06Š|
| 334 | L | 78.1 | Confident | 81.7 | Confident | 30 Ų | 30 | 109.3 Ų | 109.3 | 16% | 0.157 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | -36.1 | -172.7 | -62.1 | 169.9 | 0 | 0 | 0 | 112.7 | L306 E309 A313 M321 L330 K331 | L306-L334 WeakPolarHBondContact CD2-O 3.41Å; E309-L334 HydrophobicContact CB-CD2 4.03Å; A313-L334 HydrophobicContact CB-CD1 3.25Å; M321-L334 HydrophobicContact CE-CD1 3.5Å; M321-L334 HydrophobicContact SD-CD1 4.31Å; L330-L334 WeakPolarHBondContact O-CD1 3.39Å; K331-L334 PolarHBondContact O-N 3.41Å; K331-L334 VanDerWaalsContact O-N 3.08Å |
| 335 | L | 75.8 | Confident | 81.3 | Confident | 71 Ų | 71 | 110.7 Ų | 110.7 | 37% | 0.372 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -96.4 | 129.4 | -178.7 | -62.2 | -178.9 | 0 | 0 | 0 | 109.9 | Y310 K331 K337 | Y310-L335 HydrophobicContact CD2-CD2 3.65Å; Y310-L335 HydrophobicContact CD2-CG 4.2Å; Y310-L335 HydrophobicContact CE2-CD1 4.26Å; Y310-L335 HydrophobicContact CE2-CD2 3.83Å; Y310-L335 HydrophobicContact CE2-CG 4.19Å; Y310-L335 HydrophobicContact CG-CD2 4.39Å; K331-L335 HydrophobicContact CB-CD1 4.04Å; K331-L335 HydrophobicContact CB-CG 4.42Å; K331-L335 HydrophobicContact CD-CD1 4.24Å; K331-L335 WeakPolarHBondContact O-CB 3.32Å; K331-L335 PolarHBondContact O-N 2.8Å; L335-K337 PolarHBondContact O-N 3.22Å |
| 336 | P | 76.8 | Confident | 81 | Confident | 92 Ų | 92 | 116.5 Ų | 116.5 | 60% | 0.597 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.7 | 175.6 | 24 | -35.7 | 0 | 0 | 0 | 109.8 | L306 R338 | L306-P336 HydrophobicContact CD2-CG 4.18Å; P336-R338 PolarHBondContact O-N 3.43Å |
| 337 | K | 78.3 | Confident | 80.5 | Confident | 184 Ų | 184 | 121.6 Ų | 121.6 | 80% | 0.8 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.5 | 172.9 | -70.5 | -178.5 | -179 | 175.3 | 0 | 108.6 | L335 L339 | L335-K337 PolarHBondContact O-N 3.22Å; K337-L339 PolarHBondContact O-N 2.91Å; K337-L339 VanDerWaalsContact O-N 3.15Å |
| 338 | R | 77.1 | Confident | 79.9 | Confident | 247 Ų | 247 | 125.6 Ų | 125.6 | 93% | 0.932 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 118 | 175.6 | -69.4 | -174 | 179.2 | -178.7 | 0.8 | 108.8 | P336 | P336-R338 PolarHBondContact O-N 3.43Š|
| 339 | L | 82.7 | Confident | 79 | Confident | 148 Ų | 148 | 127.4 Ų | 127.4 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 142.1 | 173.4 | -64.8 | 175.4 | 0 | 0 | 0 | 109.8 | K337 Y341 | K337-L339 PolarHBondContact O-N 2.91Å; K337-L339 VanDerWaalsContact O-N 3.15Å; L339-Y341 PolarHBondContact O-N 3.45Å |
| 340 | P | 86.1 | Confident | 78.2 | Confident | 131 Ų | 131 | 128.4 Ų | 128.4 | 85% | 0.851 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 128.7 | 172.1 | 26.9 | -32.6 | 0 | 0 | 0 | 109 | ||
| 341 | Y | 86.6 | Confident | 77.6 | Confident | 205 Ų | 205 | 132.3 Ų | 132.3 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -110.2 | 134.7 | 171.7 | 70.5 | -83.9 | 0 | 0 | 0 | 109.2 | L339 V343 | L339-Y341 PolarHBondContact O-N 3.45Å; Y341-V343 HydrophobicContact CD2-CG2 3.95Å; Y341-V343 HydrophobicContact CE2-CG2 3.99Å | ||
| 342 | S | 86.7 | Confident | 77.1 | Confident | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -110.1 | 124.1 | 171.4 | 61.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 343 | V | 82.6 | Confident | 76.8 | Confident | 107 Ų | 107 | 146.7 Ų | 146.7 | 65% | 0.648 | 72% | 0.724 | S | S | * | * | trans | -89.4 | 118 | 170.8 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | Y341 L345 | Y341-V343 HydrophobicContact CD2-CG2 3.95Å; Y341-V343 HydrophobicContact CE2-CG2 3.99Å; V343-L345 PolarHBondContact O-N 3.27Å; V343-L345 VanDerWaalsContact O-N 3.16Å | ||
| 344 | K | 84.1 | Confident | 76.4 | Confident | 177 Ų | 177 | 142.6 Ų | 142.6 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -70 | 109.4 | 172.7 | -67.6 | -176.2 | -178.8 | 179.3 | 0 | 108.5 | ||||
| 345 | L | 75.6 | Confident | 76 | Confident | 149 Ų | 149 | 145.4 Ų | 145.4 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | trans | -80.3 | 122.1 | 170 | -67.3 | 173 | 0 | 0 | 0 | 108.6 | V343 L347 | V343-L345 PolarHBondContact O-N 3.27Å; V343-L345 VanDerWaalsContact O-N 3.16Å; L345-L347 PolarHBondContact O-N 3.44Å | ||
| 346 | H | 73.8 | Confident | 76 | Confident | 182 Ų | 182 | 150.2 Ų | 150.2 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -77.3 | -9 | 176.6 | -66.4 | -26 | 0 | 0 | 0 | 113.6 | Q348 | H346-Q348 PolarHBondContact O-N 2.93Š| ||
| 347 | L | 73.4 | Confident | 75.7 | Confident | 149 Ų | 149 | 152.1 Ų | 152.1 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -89.8 | 106.3 | 178.2 | -64.5 | 168.6 | 0 | 0 | 0 | 108.2 | L345 P349 | L345-L347 PolarHBondContact O-N 3.44Å; L347-P349 WeakPolarHBondContact O-CD 3.39Å | ||
| 348 | Q | 69.6 | Low | 75.2 | Confident | 173 Ų | 173 | 149.1 Ų | 149.1 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -62.7 | 125 | 156 | -77.1 | -161.4 | -7.2 | 0 | 0 | 106.9 | H346 T350 | H346-Q348 PolarHBondContact O-N 2.93Å; Q348-T350 VanDerWaalsContact C-N 3.34Å; Q348-T350 PolarHBondContact O-N 3.48Å | ||
| 349 | P | 64.5 | Low | 74.7 | Confident | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -63.3 | 100.6 | 173.2 | 25.1 | -31 | 0 | 0 | 0 | 107.7 | L347 L351 | L347-P349 WeakPolarHBondContact O-CD 3.39Å; P349-L351 PolarHBondContact O-N 3.36Å | ||
| 350 | T | 66.5 | Low | 74 | Confident | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -72 | 85.7 | 172.4 | -44.9 | 0 | 0 | 0 | 0 | 107.4 | Q348 R352 | Q348-T350 VanDerWaalsContact C-N 3.34Å; Q348-T350 PolarHBondContact O-N 3.48Å; T350-R352 PolarHBondContact O-N 3.46Å | ||
| 351 | L | 68.8 | Low | 73.2 | Confident | 116 Ų | 116 | 144.5 Ų | 144.5 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 125.3 | 167.1 | -62.4 | -178.5 | 0 | 0 | 0 | 106.9 | P349 Q353 Y403 | P349-L351 PolarHBondContact O-N 3.36Å; L351-Q353 PolarHBondContact O-N 3.21Å; L351-Y403 HydrophobicContact CD1-CE1 4.44Å; L351-Y403 HydrophobicContact CD2-CE1 4.38Å; L351-Y403 WeakPolarHBondContact CD2-OH 3.49Å |
| 352 | R | 72.1 | Confident | 72.1 | Confident | 226 Ų | 226 | 140.5 Ų | 140.5 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 132.5 | 172 | -69.9 | -172.4 | 178.9 | 179 | -0 | 108 | T350 | T350-R352 PolarHBondContact O-N 3.46Š|
| 353 | Q | 74.1 | Confident | 71.1 | Confident | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 136.3 | 176.3 | -68.5 | -175.3 | 6.3 | 0 | 0 | 109.1 | L351 | L351-Q353 PolarHBondContact O-N 3.21Š|
| 354 | P | 71.1 | Confident | 70.1 | Confident | 98 Ų | 98 | 143.1 Ų | 143.1 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 149.7 | 178.5 | 26.4 | -33.9 | 0 | 0 | 0 | 110.2 | K356 | P354-K356 PolarHBondContact O-N 3.47Š|
| 355 | P | 70.7 | Confident | 69.2 | Low | 88 Ų | 88 | 144 Ų | 144 | 57% | 0.571 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 129.6 | 175.7 | 23.7 | -32 | 0 | 0 | 0 | 110.1 | Y388 | P355-Y388 HydrophobicContact CG-CE2 4.34Š|
| 356 | K | 74.3 | Confident | 68.8 | Low | 173 Ų | 173 | 144.5 Ų | 144.5 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 130.8 | 175.6 | -66.9 | -179.2 | -177.7 | 174.9 | 0 | 109.4 | P354 T358 | P354-K356 PolarHBondContact O-N 3.47Å; K356-T358 PolarHBondContact O-N 2.86Å |
| 357 | M | 72.2 | Confident | 68.4 | Low | 131 Ų | 131 | 144.7 Ų | 144.7 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 118.4 | 174.6 | -167.7 | 174.8 | 74 | 0 | 0 | 109.5 | K359 I379 | M357-K359 HydrophobicContact CE-CG 4.44Å; M357-I379 HydrophobicContact CE-CD1 3.9Å |
| 358 | T | 66.2 | Low | 67.6 | Low | 121 Ų | 121 | 141 Ų | 141 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 133.1 | 171.1 | 50.2 | 0 | 0 | 0 | 0 | 109.3 | K356 | K356-T358 PolarHBondContact O-N 2.86Š|
| 359 | K | 67 | Low | 67.4 | Low | 119 Ų | 119 | 140 Ų | 140 | 52% | 0.517 | 72% | 0.719 | S | S | . | * | trans | -104.3 | 122.9 | 170.8 | -68.7 | 179.5 | -174.6 | 170.9 | 0 | 107.8 | M357 F377 I379 | M357-K359 HydrophobicContact CE-CG 4.44Å; K359-F377 HydrophobicContact CD-CE2 4.42Å; K359-F377 HydrophobicContact CD-CZ 3.74Å; K359-I379 VanDerWaalsContact NZ-CD1 3.34Å | ||
| 360 | Q | 68.5 | Low | 67.5 | Low | 171 Ų | 171 | 139.8 Ų | 139.8 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | -100.5 | 128.3 | 168.8 | -68.8 | 179.8 | -12.3 | 0 | 0 | 107.7 | V362 | Q360-V362 PolarHBondContact O-N 3.17Š| ||
| 361 | N | 68.1 | Low | 67.7 | Low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 72% | 0.718 | S | S | * | * | trans | -86.7 | 103.8 | 170.2 | -147 | 2.9 | 0 | 0 | 0 | 106 | E363 | N361-E363 PolarHBondContact O-N 3.23Å; N361-E363 VanDerWaalsContact O-N 3.14Å | ||
| 362 | V | 64.5 | Low | 67.5 | Low | 121 Ų | 121 | 142.4 Ų | 142.4 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -74.8 | 103.9 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 105.4 | Q360 T364 | Q360-V362 PolarHBondContact O-N 3.17Å; V362-T364 PolarHBondContact O-N 3.17Å | ||
| 363 | E | 65.3 | Low | 67.2 | Low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | -54.9 | 126.6 | 170 | -79 | -177.9 | 167.2 | 0 | 0 | 108.2 | N361 | N361-E363 PolarHBondContact O-N 3.23Å; N361-E363 VanDerWaalsContact O-N 3.14Å | ||
| 364 | T | 62.2 | Low | 66.8 | Low | 90 Ų | 90 | 136 Ų | 136 | 55% | 0.552 | 71% | 0.707 | S | S | * | * | trans | -61.3 | 139.5 | 174.1 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | V362 F366 | V362-T364 PolarHBondContact O-N 3.17Å; T364-F366 CarbonylContact O-C 3.59Å; T364-F366 PolarHBondContact O-N 3.06Å; T364-F366 PolarHBondContact OG1-O 3.23Å | ||
| 365 | F | 64.4 | Low | 66.4 | Low | 196 Ų | 196 | 135.7 Ų | 135.7 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -54.6 | -27.1 | 179.2 | -176.5 | -98.7 | 0 | 0 | 0 | 113.4 | ||
| 366 | F | 66.9 | Low | 65.9 | Low | 160 Ų | 160 | 137.1 Ų | 137.1 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -86.1 | 124.3 | 172 | -58.1 | -74.5 | 0 | 0 | 0 | 109.8 | T364 P368 | T364-F366 CarbonylContact O-C 3.59Å; T364-F366 PolarHBondContact O-N 3.06Å; T364-F366 PolarHBondContact OG1-O 3.23Å; F366-P368 VanDerWaalsContact O-CD 3.25Å; F366-P368 WeakPolarHBondContact O-CD 3.32Å; F366-P368 VanDerWaalsContact O-N 3.13Å |
| 367 | Q | 65.7 | Low | 65.6 | Low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 116.7 | 165.4 | -74.6 | -176.5 | -12.2 | 0 | 0 | 108 | T369 | Q367-T369 PolarHBondContact O-N 3.16Å; Q367-T369 VanDerWaalsContact O-N 3.15Å |
| 368 | P | 56.4 | Low | 64.9 | Low | 73 Ų | 73 | 135.3 Ų | 135.3 | 47% | 0.474 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 117.7 | 179.4 | 28.9 | -33 | 0 | 0 | 0 | 108.5 | F366 V370 I372 | F366-P368 VanDerWaalsContact O-CD 3.25Å; F366-P368 WeakPolarHBondContact O-CD 3.32Å; F366-P368 VanDerWaalsContact O-N 3.13Å; P368-V370 WeakPolarHBondContact CB-O 3.46Å; P368-V370 PolarHBondContact O-N 3.15Å; P368-I372 HydrophobicContact CB-CD1 3.59Å; P368-I372 HydrophobicContact CB-CG1 3.84Å; P368-I372 HydrophobicContact CG-CD1 4.02Å; P368-I372 HydrophobicContact CG-CG1 4.33Å |
| 369 | T | 65.2 | Low | 64.6 | Low | 151 Ų | 151 | 132.6 Ų | 132.6 | 93% | 0.926 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -64.3 | -19.9 | 174.8 | 34.3 | 0 | 0 | 0 | 0 | 112.5 | Q367 | Q367-T369 PolarHBondContact O-N 3.16Å; Q367-T369 VanDerWaalsContact O-N 3.15Å |
| 370 | V | 67.1 | Low | 64.2 | Low | 106 Ų | 106 | 132.4 Ų | 132.4 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -108.9 | 131.9 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | P368 I372 | P368-V370 WeakPolarHBondContact CB-O 3.46Å; P368-V370 PolarHBondContact O-N 3.15Å; V370-I372 PolarHBondContact O-N 3.33Å |
| 371 | K | 70.7 | Confident | 64 | Low | 201 Ų | 201 | 129.9 Ų | 129.9 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | trans | -58.2 | 100.8 | 171.8 | -68.5 | -178.3 | -179.4 | 179.5 | 0 | 108.4 | P373 | K371-P373 WeakPolarHBondContact O-CD 3.5Å; K371-P373 VanDerWaalsContact O-N 3.12Å | ||
| 372 | I | 66 | Low | 63.8 | Low | 105 Ų | 105 | 126.9 Ų | 126.9 | 54% | 0.538 | 68% | 0.681 | S | S | . | * | trans | -65.5 | 114.5 | 175.6 | -59.5 | 171.3 | 0 | 0 | 0 | 105.5 | P368 V370 I374 | P368-I372 HydrophobicContact CB-CD1 3.59Å; P368-I372 HydrophobicContact CB-CG1 3.84Å; P368-I372 HydrophobicContact CG-CD1 4.02Å; P368-I372 HydrophobicContact CG-CG1 4.33Å; V370-I372 PolarHBondContact O-N 3.33Å; I372-I374 PolarHBondContact O-N 2.84Å | ||
| 373 | P | 65.6 | Low | 63.9 | Low | 108 Ų | 108 | 127.4 Ų | 127.4 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | trans | -57.5 | 129.7 | 172.5 | 24.8 | -31.4 | 0 | 0 | 0 | 106.7 | K371 P375 | K371-P373 WeakPolarHBondContact O-CD 3.5Å; K371-P373 VanDerWaalsContact O-N 3.12Å; P373-P375 WeakPolarHBondContact O-CD 3.44Å | ||
| 374 | I | 65.2 | Low | 63.9 | Low | 141 Ų | 141 | 121.7 Ų | 121.7 | 72% | 0.723 | 65% | 0.651 | S | S | * | * | trans | -52 | 115.8 | 177 | -60.3 | 169.4 | 0 | 0 | 0 | 106 | I372 S376 | I372-I374 PolarHBondContact O-N 2.84Å; I374-S376 PolarHBondContact O-N 2.94Å | ||
| 375 | P | 61.7 | Low | 64.4 | Low | 91 Ų | 91 | 119.2 Ų | 119.2 | 59% | 0.591 | 64% | 0.637 | S | S | * | * | trans | -61.3 | 106.8 | 178.9 | -9 | 17.1 | 0 | 0 | 0 | 107.1 | P373 F377 | P373-P375 WeakPolarHBondContact O-CD 3.44Å; P375-F377 WeakPolarHBondContact O-CD1 3.49Å; P375-F377 PolarHBondContact O-N 2.96Å | ||
| 376 | S | 61.2 | Low | 64.9 | Low | 118 Ų | 118 | 118.4 Ų | 118.4 | 83% | 0.825 | 64% | 0.636 | S | S | * | * | trans | -83.8 | 104.1 | 169.9 | 56.2 | 0 | 0 | 0 | 0 | 106.7 | I374 | I374-S376 PolarHBondContact O-N 2.94Š| ||
| 377 | F | 67.1 | Low | 65.1 | Low | 123 Ų | 123 | 118.5 Ų | 118.5 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | trans | -101 | 124.1 | 169.9 | 56.1 | -81.9 | 0 | 0 | 0 | 108.5 | K359 P375 I379 | K359-F377 HydrophobicContact CD-CE2 4.42Å; K359-F377 HydrophobicContact CD-CZ 3.74Å; P375-F377 WeakPolarHBondContact O-CD1 3.49Å; P375-F377 PolarHBondContact O-N 2.96Å; F377-I379 HydrophobicContact CD2-CD1 4.18Å; F377-I379 HydrophobicContact CD2-CG1 3.53Å; F377-I379 HydrophobicContact CE2-CD1 3.73Å; F377-I379 HydrophobicContact CE2-CG1 3.62Å; F377-I379 PolarHBondContact O-N 3.33Å | ||
| 378 | T | 58 | Low | 65.4 | Low | 143 Ų | 143 | 113.6 Ų | 113.6 | 88% | 0.877 | 61% | 0.611 | S | S | * | * | trans | -77.5 | 106.2 | 167.9 | -56.5 | 0 | 0 | 0 | 0 | 107.1 | H380 | T378-H380 PolarHBondContact O-N 3.47Š| ||
| 379 | I | 59.9 | Low | 66.4 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 33% | 0.328 | 60% | 0.602 | S | S | . | * | trans | -70 | 124.5 | 168.5 | -60.2 | 178 | 0 | 0 | 0 | 106.5 | M357 K359 F377 F383 | M357-I379 HydrophobicContact CE-CD1 3.9Å; K359-I379 VanDerWaalsContact NZ-CD1 3.34Å; F377-I379 HydrophobicContact CD2-CD1 4.18Å; F377-I379 HydrophobicContact CD2-CG1 3.53Å; F377-I379 HydrophobicContact CE2-CD1 3.73Å; F377-I379 HydrophobicContact CE2-CG1 3.62Å; F377-I379 PolarHBondContact O-N 3.33Å; I379-F383 HydrophobicContact CG2-CB 3.64Å; I379-F383 HydrophobicContact CG2-CD1 3.81Å; I379-F383 HydrophobicContact CG2-CG 4.05Å | ||
| 380 | H | 59.5 | Low | 66.9 | Low | 114 Ų | 114 | 108.4 Ų | 108.4 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | trans | -56.8 | 136.7 | 172.3 | -168.2 | -91.6 | 0 | 0 | 0 | 109.2 | T378 D382 F383 | T378-H380 PolarHBondContact O-N 3.47Å; H380-D382 IonicContact CE1-OD2 3.13Å; H380-D382 PolarHBondContact CE1-OD2 3.1Å; H380-D382 WeakPolarHBondContact ND1-CB 3.35Å; H380-D382 PolarHBondContact ND1-N 3.28Å; H380-D382 VanDerWaalsContact ND1-N 3.18Å; H380-D382 IonicContact ND1-OD2 3.61Å; H380-D382 PolarHBondContact O-N 3.47Å; H380-F383 HydrophobicContact CB-CB 4.23Å; H380-F383 VanDerWaalsContact O-CB 3.29Å; H380-F383 WeakPolarHBondContact O-CB 3.4Å; H380-F383 PolarHBondContact O-N 3.1Å | ||
| 381 | P | 63 | Low | 67.3 | Low | 118 Ų | 118 | 107.7 Ų | 107.7 | 77% | 0.766 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -28.5 | -178.7 | 20.8 | -33.1 | 0 | 0 | 0 | 113 | ||
| 382 | D | 64.6 | Low | 67.4 | Low | 78 Ų | 78 | 99.6 Ų | 99.6 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3.4 | 178.9 | -50.2 | -37.1 | 0 | 0 | 0 | 114.2 | H380 T384 | H380-D382 IonicContact CE1-OD2 3.13Å; H380-D382 PolarHBondContact CE1-OD2 3.1Å; H380-D382 WeakPolarHBondContact ND1-CB 3.35Å; H380-D382 PolarHBondContact ND1-N 3.28Å; H380-D382 VanDerWaalsContact ND1-N 3.18Å; H380-D382 IonicContact ND1-OD2 3.61Å; H380-D382 PolarHBondContact O-N 3.47Å; D382-T384 PolarHBondContact O-N 3.4Å; D382-T384 VanDerWaalsContact O-N 3.13Å |
| 383 | F | 65.5 | Low | 68.1 | Low | 131 Ų | 131 | 98.5 Ų | 98.5 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | trans | -67.5 | 115.9 | 176.8 | 178.7 | -97 | 0 | 0 | 0 | 109.7 | I379 H380 | I379-F383 HydrophobicContact CG2-CB 3.64Å; I379-F383 HydrophobicContact CG2-CD1 3.81Å; I379-F383 HydrophobicContact CG2-CG 4.05Å; H380-F383 HydrophobicContact CB-CB 4.23Å; H380-F383 VanDerWaalsContact O-CB 3.29Å; H380-F383 WeakPolarHBondContact O-CB 3.4Å; H380-F383 PolarHBondContact O-N 3.1Å | ||
| 384 | T | 67.1 | Low | 68.8 | Low | 59 Ų | 59 | 99.6 Ų | 99.6 | 36% | 0.362 | 52% | 0.521 | S | S | . | . | trans | -113 | 127.1 | 171 | 49.4 | 0 | 0 | 0 | 0 | 107.8 | D382 Y388 N389 | D382-T384 PolarHBondContact O-N 3.4Å; D382-T384 VanDerWaalsContact O-N 3.13Å; T384-Y388 HydrophobicContact CG2-CD1 4.3Å; T384-Y388 HydrophobicContact CG2-CE1 4.48Å; T384-N389 WeakPolarHBondContact CB-ND2 3.15Å; T384-N389 WeakPolarHBondContact CB-OD1 3.21Å; T384-N389 PolarHBondContact OG1-ND2 3.08Å; T384-N389 PolarHBondContact OG1-OD1 3.29Å | ||
| 385 | S | 71.9 | Confident | 69.5 | Low | 39 Ų | 39 | 95 Ų | 95 | 27% | 0.273 | 50% | 0.498 | S | S | . | . | trans | -67.3 | 146.4 | 175.8 | 67.7 | 0 | 0 | 0 | 0 | 110 | F387 Y388 N389 | S385-F387 PolarHBondContact O-N 2.98Å; S385-Y388 WeakPolarHBondContact O-CB 3.36Å; S385-Y388 PolarHBondContact O-N 3.06Å; S385-Y388 WeakPolarHBondContact OG-CB 3.29Å; S385-Y388 PolarHBondContact OG-N 3.17Å; S385-N389 PolarHBondContact O-N 3.18Å | ||
| 386 | E | 73.9 | Confident | 70.4 | Confident | 178 Ų | 178 | 93.7 Ų | 93.7 | 83% | 0.832 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.1 | -38.3 | 175.6 | -65.9 | -177.4 | 176 | 0 | 0 | 111.3 | N389 A390 | E386-N389 PolarHBondContact O-N 3.43Å; E386-A390 WeakPolarHBondContact O-CB 3.46Å; E386-A390 PolarHBondContact O-N 3.14Å |
| 387 | F | 72.4 | Confident | 71.3 | Confident | 162 Ų | 162 | 96.7 Ų | 96.7 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 175.7 | -170.2 | -95.8 | 0 | 0 | 0 | 112.7 | S385 N389 A390 H391 | S385-F387 PolarHBondContact O-N 2.98Å; F387-N389 VanDerWaalsContact C-N 3.33Å; F387-N389 PolarHBondContact O-N 3.2Å; F387-A390 PolarHBondContact O-N 3.06Å; F387-H391 WeakPolarHBondContact O-CB 3.4Å; F387-H391 PolarHBondContact O-N 3.48Å |
| 388 | Y | 72 | Confident | 72.2 | Confident | 82 Ų | 82 | 96.7 Ų | 96.7 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175 | 177.1 | -96.6 | 0 | 0 | 0 | 111 | P355 T384 S385 H391 R392 | P355-Y388 HydrophobicContact CG-CE2 4.34Å; T384-Y388 HydrophobicContact CG2-CD1 4.3Å; T384-Y388 HydrophobicContact CG2-CE1 4.48Å; S385-Y388 WeakPolarHBondContact O-CB 3.36Å; S385-Y388 PolarHBondContact O-N 3.06Å; S385-Y388 WeakPolarHBondContact OG-CB 3.29Å; S385-Y388 PolarHBondContact OG-N 3.17Å; Y388-H391 PolarHBondContact O-N 3.1Å; Y388-R392 WeakPolarHBondContact O-CB 3.16Å; Y388-R392 PolarHBondContact O-N 2.81Å |
| 389 | N | 76.7 | Confident | 73.2 | Confident | 56 Ų | 56 | 96.5 Ų | 96.5 | 30% | 0.299 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 177.3 | -74.7 | -26.6 | 0 | 0 | 0 | 112.2 | T384 S385 E386 F387 R392 N393 | T384-N389 WeakPolarHBondContact CB-ND2 3.15Å; T384-N389 WeakPolarHBondContact CB-OD1 3.21Å; T384-N389 PolarHBondContact OG1-ND2 3.08Å; T384-N389 PolarHBondContact OG1-OD1 3.29Å; S385-N389 PolarHBondContact O-N 3.18Å; E386-N389 PolarHBondContact O-N 3.43Å; F387-N389 VanDerWaalsContact C-N 3.33Å; F387-N389 PolarHBondContact O-N 3.2Å; N389-R392 PolarHBondContact O-N 3.04Å; N389-N393 WeakPolarHBondContact O-CB 3Å; N389-N393 PolarHBondContact O-N 3.05Å; N389-N393 PolarHBondContact O-ND2 2.82Å |
| 390 | A | 76.7 | Confident | 74 | Confident | 60 Ų | 60 | 99.8 Ų | 99.8 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | E386 F387 N393 Y394 | E386-A390 WeakPolarHBondContact O-CB 3.46Å; E386-A390 PolarHBondContact O-N 3.14Å; F387-A390 PolarHBondContact O-N 3.06Å; A390-N393 PolarHBondContact O-N 3.22Å; A390-Y394 PolarHBondContact O-N 3.39Å |
| 391 | H | 75.4 | Confident | 74.4 | Confident | 90 Ų | 90 | 96.5 Ų | 96.5 | 42% | 0.417 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.8 | -169.4 | 60.6 | 0 | 0 | 0 | 112.2 | F387 Y388 Y394 M395 | F387-H391 WeakPolarHBondContact O-CB 3.4Å; F387-H391 PolarHBondContact O-N 3.48Å; Y388-H391 PolarHBondContact O-N 3.1Å; H391-Y394 WeakPolarHBondContact O-CB 3.48Å; H391-Y394 PolarHBondContact O-N 3.14Å; H391-M395 WeakPolarHBondContact CD2-CE 3.49Å; H391-M395 WeakPolarHBondContact NE2-CE 3.17Å; H391-M395 WeakPolarHBondContact O-CG 3.35Å; H391-M395 PolarHBondContact O-N 2.78Å |
| 392 | R | 71.6 | Confident | 74.6 | Confident | 32 Ų | 32 | 98 Ų | 98 | 12% | 0.121 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 173.9 | 179.8 | 178.7 | 174.7 | -82.8 | -8.3 | 111.6 | Y388 N389 Y394 M395 I396 Y403 T405 | Y388-R392 WeakPolarHBondContact O-CB 3.16Å; Y388-R392 PolarHBondContact O-N 2.81Å; N389-R392 PolarHBondContact O-N 3.04Å; R392-Y394 PolarHBondContact O-N 3.47Å; R392-M395 PolarHBondContact O-N 3.37Å; R392-I396 HydrophobicContact CG-CD1 4.01Å; R392-I396 WeakPolarHBondContact O-CG1 3.22Å; R392-I396 PolarHBondContact O-N 3.26Å; R392-Y403 PolarHBondContact NH2-O 3.15Å; R392-T405 PolarHBondContact NH2-OG1 3.09Å; R392-T405 VanDerWaalsContact NH2-OG1 3.12Å |
| 393 | N | 80.5 | Confident | 74.4 | Confident | 81 Ų | 81 | 99 Ų | 99 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 176.7 | -72.3 | -20.2 | 0 | 0 | 0 | 111.7 | N389 A390 K397 | N389-N393 WeakPolarHBondContact O-CB 3Å; N389-N393 PolarHBondContact O-N 3.05Å; N389-N393 PolarHBondContact O-ND2 2.82Å; A390-N393 PolarHBondContact O-N 3.22Å; N393-K397 WeakPolarHBondContact O-CB 3.46Å; N393-K397 VanDerWaalsContact O-CG 3.32Å; N393-K397 WeakPolarHBondContact O-CG 3.25Å; N393-K397 PolarHBondContact O-N 3.26Å |
| 394 | Y | 82 | Confident | 73.9 | Confident | 131 Ų | 131 | 97.3 Ų | 97.3 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 171.5 | 172.5 | -95.2 | 0 | 0 | 0 | 112.1 | A390 H391 R392 K397 K398 | A390-Y394 PolarHBondContact O-N 3.39Å; H391-Y394 WeakPolarHBondContact O-CB 3.48Å; H391-Y394 PolarHBondContact O-N 3.14Å; R392-Y394 PolarHBondContact O-N 3.47Å; Y394-K397 PolarHBondContact O-N 2.73Å; Y394-K398 HydrophobicContact CE1-CG 4.25Å; Y394-K398 HydrophobicContact CE2-CG 4.32Å; Y394-K398 WeakPolarHBondContact O-CG 3.39Å; Y394-K398 PolarHBondContact O-N 3.03Å |
| 395 | M | 79.7 | Confident | 73.4 | Confident | 46 Ų | 46 | 98.1 Ų | 98.1 | 23% | 0.227 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 177.8 | -64.3 | -160.3 | -163.3 | 0 | 0 | 113.4 | H391 R392 K398 D399 L400 W401 | H391-M395 WeakPolarHBondContact CD2-CE 3.49Å; H391-M395 WeakPolarHBondContact NE2-CE 3.17Å; H391-M395 WeakPolarHBondContact O-CG 3.35Å; H391-M395 PolarHBondContact O-N 2.78Å; R392-M395 PolarHBondContact O-N 3.37Å; M395-K398 CarbonylContact O-C 3.54Å; M395-K398 PolarHBondContact O-N 3.23Å; M395-K398 VanDerWaalsContact O-N 3.15Å; M395-D399 PolarHBondContact O-N 3.04Å; M395-L400 HydrophobicContact CB-CB 4.45Å; M395-L400 PolarHBondContact O-N 2.96Å; M395-W401 HydrophobicContact CB-CB 3.68Å; M395-W401 HydrophobicContact CB-CG 4.47Å; M395-W401 HydrophobicContact SD-CE3 3.65Å; M395-W401 HydrophobicContact SD-CZ3 4.24Å |
| 396 | I | 79.4 | Confident | 72.2 | Confident | 63 Ų | 63 | 105.7 Ų | 105.7 | 32% | 0.323 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.6 | -67.6 | 168.6 | 0 | 0 | 0 | 110 | R392 K398 D399 W401 | R392-I396 HydrophobicContact CG-CD1 4.01Å; R392-I396 WeakPolarHBondContact O-CG1 3.22Å; R392-I396 PolarHBondContact O-N 3.26Å; I396-K398 PolarHBondContact O-N 3.04Å; I396-D399 PolarHBondContact O-N 2.77Å; I396-W401 HydrophobicContact CG1-CB 3.97Å; I396-W401 HydrophobicContact CG1-CG 4.15Å |
| 397 | K | 81.1 | Confident | 71 | Confident | 181 Ų | 181 | 103.8 Ų | 103.8 | 79% | 0.787 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -23.1 | 175.2 | -75.9 | 178.3 | 179.7 | -176.3 | 0 | 113.5 | N393 Y394 | N393-K397 WeakPolarHBondContact O-CB 3.46Å; N393-K397 VanDerWaalsContact O-CG 3.32Å; N393-K397 WeakPolarHBondContact O-CG 3.25Å; N393-K397 PolarHBondContact O-N 3.26Å; Y394-K397 PolarHBondContact O-N 2.73Å |
| 398 | K | 85.3 | Confident | 69.5 | Low | 122 Ų | 122 | 103 Ų | 103 | 53% | 0.53 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 5.6 | 177.7 | -69.6 | -70 | -174.7 | 179.9 | 0 | 113.1 | Y394 M395 I396 L400 | Y394-K398 HydrophobicContact CE1-CG 4.25Å; Y394-K398 HydrophobicContact CE2-CG 4.32Å; Y394-K398 WeakPolarHBondContact O-CG 3.39Å; Y394-K398 PolarHBondContact O-N 3.03Å; M395-K398 CarbonylContact O-C 3.54Å; M395-K398 PolarHBondContact O-N 3.23Å; M395-K398 VanDerWaalsContact O-N 3.15Å; I396-K398 PolarHBondContact O-N 3.04Å; K398-L400 HydrophobicContact CB-CD1 3.86Å; K398-L400 HydrophobicContact CB-CG 4.09Å; K398-L400 PolarHBondContact O-N 2.85Å; K398-L400 VanDerWaalsContact O-N 3.1Å |
| 399 | D | 77.9 | Confident | 68 | Low | 140 Ų | 140 | 104.4 Ų | 104.4 | 75% | 0.749 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 23.1 | -173.4 | -66.6 | -31.9 | 0 | 0 | 0 | 114.1 | M395 I396 | M395-D399 PolarHBondContact O-N 3.04Å; I396-D399 PolarHBondContact O-N 2.77Å |
| 400 | L | 77 | Confident | 66 | Low | 133 Ų | 133 | 109.4 Ų | 109.4 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | trans | -90.2 | -10.4 | 177.4 | -69.8 | 167 | 0 | 0 | 0 | 112.3 | M395 K398 | M395-L400 HydrophobicContact CB-CB 4.45Å; M395-L400 PolarHBondContact O-N 2.96Å; K398-L400 HydrophobicContact CB-CD1 3.86Å; K398-L400 HydrophobicContact CB-CG 4.09Å; K398-L400 PolarHBondContact O-N 2.85Å; K398-L400 VanDerWaalsContact O-N 3.1Å | ||
| 401 | W | 69.7 | Low | 64 | Low | 44 Ų | 44 | 111.5 Ų | 111.5 | 17% | 0.167 | 56% | 0.562 | C | S | . | * | trans | -131.8 | 106.8 | -173.4 | -169.2 | -81.1 | 0 | 0 | 0 | 111.9 | M395 I396 Y403 | M395-W401 HydrophobicContact CB-CB 3.68Å; M395-W401 HydrophobicContact CB-CG 4.47Å; M395-W401 HydrophobicContact SD-CE3 3.65Å; M395-W401 HydrophobicContact SD-CZ3 4.24Å; I396-W401 HydrophobicContact CG1-CB 3.97Å; I396-W401 HydrophobicContact CG1-CG 4.15Å; W401-Y403 HydrophobicContact CD2-CD2 4.26Å; W401-Y403 AromaticContact CE2-CD2 3.78Å; W401-Y403 HydrophobicContact CH2-CD2 4.48Å; W401-Y403 AromaticContact CZ2-CD2 3.91Å; W401-Y403 HydrophobicContact CZ2-CD2 3.91Å; W401-Y403 AromaticContact NE1-CD2 3.95Å; W401-Y403 PolarHBondContact NE1-O 3.09Å; W401-Y403 VanDerWaalsContact NE1-O 3.14Å | ||
| 402 | N | 65.7 | Low | 62.1 | Low | 149 Ų | 149 | 121.2 Ų | 121.2 | 80% | 0.797 | 60% | 0.597 | S | S | * | * | trans | -93.8 | -3 | -178 | -71 | -24.3 | 0 | 0 | 0 | 114.3 | A404 | N402-A404 PolarHBondContact O-N 2.94Š| ||
| 403 | Y | 60.4 | Low | 61.7 | Low | 101 Ų | 101 | 125.7 Ų | 125.7 | 40% | 0.396 | 62% | 0.621 | S | S | . | * | trans | -82.9 | 107.9 | -178.7 | -53.8 | -83.3 | 0 | 0 | 0 | 110.9 | L351 R392 W401 T405 | L351-Y403 HydrophobicContact CD1-CE1 4.44Å; L351-Y403 HydrophobicContact CD2-CE1 4.38Å; L351-Y403 WeakPolarHBondContact CD2-OH 3.49Å; R392-Y403 PolarHBondContact NH2-O 3.15Å; W401-Y403 HydrophobicContact CD2-CD2 4.26Å; W401-Y403 AromaticContact CE2-CD2 3.78Å; W401-Y403 HydrophobicContact CH2-CD2 4.48Å; W401-Y403 AromaticContact CZ2-CD2 3.91Å; W401-Y403 HydrophobicContact CZ2-CD2 3.91Å; W401-Y403 AromaticContact NE1-CD2 3.95Å; W401-Y403 PolarHBondContact NE1-O 3.09Å; W401-Y403 VanDerWaalsContact NE1-O 3.14Å; Y403-T405 PolarHBondContact O-N 2.8Å | ||
| 404 | A | 55.7 | Low | 60.7 | Low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 63% | 0.631 | S | S | * | * | trans | -72.2 | 110.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | N402 | N402-A404 PolarHBondContact O-N 2.94Š| ||
| 405 | T | 55.4 | Low | 59.5 | Low | 77 Ų | 77 | 127.9 Ų | 127.9 | 47% | 0.472 | 64% | 0.638 | S | S | . | * | trans | -81.3 | 126.2 | 166.6 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | R392 Y403 | R392-T405 PolarHBondContact NH2-OG1 3.09Å; R392-T405 VanDerWaalsContact NH2-OG1 3.12Å; Y403-T405 PolarHBondContact O-N 2.8Å | ||
| 406 | R | 48 | Very low | 58.3 | Low | 197 Ų | 197 | 132.7 Ų | 132.7 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | trans | -86.8 | 119.8 | 162.3 | -74.6 | -178.3 | 176.9 | 179.2 | -1.6 | 106.8 | Y408 | R406-Y408 HydrophobicContact CB-CE2 4.21Å; R406-Y408 PolarHBondContact O-N 2.83Å | ||
| 407 | N | 49.1 | Very low | 57 | Low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -73.3 | 107.5 | 168.8 | -67.9 | -6.4 | 0 | 0 | 0 | 106.9 | ||||
| 408 | Y | 40.3 | Very low | 55.4 | Low | 144 Ų | 144 | 134.1 Ų | 134.1 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | trans | -79.8 | 116.2 | 163 | -60.6 | -77.4 | 0 | 0 | 0 | 105.9 | R406 | R406-Y408 HydrophobicContact CB-CE2 4.21Å; R406-Y408 PolarHBondContact O-N 2.83Å | ||
| 409 | S | 40.1 | Very low | 53.2 | Low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | trans | -107.6 | 119 | 163.4 | 48.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 410 | F | 35.3 | Very low | 51.3 | Low | 161 Ų | 161 | 134.6 Ų | 134.6 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | -83.5 | 115.2 | 168.6 | -61.7 | -83.4 | 0 | 0 | 0 | 106.4 | Y412 | F410-Y412 PolarHBondContact O-N 3.18Š| ||
| 411 | A | 34.6 | Very low | 49.2 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | trans | -71.3 | 121.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 412 | Y | 36.2 | Very low | 47.3 | Very low | 295 Ų | 295 | 143 Ų | 143 | 100% | 1.157 | 73% | 0.727 | S | S | * | * | trans | -84.7 | 0 | 166.8 | -88.2 | -83.5 | 0 | 0 | 0 | 110.2 | F410 | F410-Y412 PolarHBondContact O-N 3.18Š|
Retrieved 412 of 412 residues in 583.8 ms
(Link to these results)