| 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 | 35.1 | Very low | 35.2 | Very low | 244 Ų | 244 | 155.1 Ų | 155.1 | 100% | 1.202 | 81% | 0.807 | S | S | * | * | 0 | 91.5 | 0 | -158.4 | -178.7 | -163.2 | 0 | 0 | 108.7 | |||||
| 2 | R | 35 | Very low | 35.5 | Very low | 248 Ų | 248 | 156.3 Ų | 156.3 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | 179.2 | 115.6 | 157.3 | -100.5 | 169.5 | -163.1 | -158.8 | 4.9 | 106.8 | ||||
| 3 | L | 34.8 | Very low | 35.3 | Very low | 164 Ų | 164 | 163 Ų | 163 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -69.2 | 140.7 | -170.1 | -81.6 | 98.5 | 0 | 0 | 0 | 112.4 | N5 | L3-N5 PolarHBondContact O-N 3.21Š| ||
| 4 | I | 33.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 157.8 Ų | 157.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -66.9 | 117.1 | 165.1 | -64.2 | 162.6 | 0 | 0 | 0 | 107.9 | ||||
| 5 | N | 35.4 | Very low | 35.9 | Very low | 150 Ų | 150 | 158.7 Ų | 158.7 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -129.9 | 74.5 | 163.1 | -95.2 | -23.1 | 0 | 0 | 0 | 108.2 | L3 V7 | L3-N5 PolarHBondContact O-N 3.21Å; N5-V7 PolarHBondContact O-N 3Å | ||
| 6 | S | 34.5 | Very low | 36.2 | Very low | 89 Ų | 89 | 155.9 Ų | 155.9 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | trans | -84 | 93.2 | 164.8 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | I8 | S6-I8 PolarHBondContact O-N 3.14Š| ||
| 7 | V | 36.6 | Very low | 36.3 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -72.2 | 95.7 | 166.7 | 179 | 0 | 0 | 0 | 0 | 107.4 | N5 K9 | N5-V7 PolarHBondContact O-N 3Å; V7-K9 HydrophobicContact CG1-CG 4.13Å; V7-K9 PolarHBondContact O-N 3.35Å | ||
| 8 | I | 34.7 | Very low | 36.5 | Very low | 152 Ų | 152 | 160.8 Ų | 160.8 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 95.8 | 167.1 | -62.4 | 172.3 | 0 | 0 | 0 | 106.7 | S6 S10 | S6-I8 PolarHBondContact O-N 3.14Å; I8-S10 PolarHBondContact O-N 3.03Å | ||
| 9 | K | 35.8 | Very low | 37.1 | Very low | 183 Ų | 183 | 155.5 Ų | 155.5 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 111.7 | 165 | -76.8 | -175.6 | 176.9 | 176.9 | 0 | 107.9 | V7 | V7-K9 HydrophobicContact CG1-CG 4.13Å; V7-K9 PolarHBondContact O-N 3.35Å | ||
| 10 | S | 34.9 | Very low | 37.8 | Very low | 85 Ų | 85 | 154.3 Ų | 154.3 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | trans | -49 | 127.9 | 171.4 | 170.5 | 0 | 0 | 0 | 0 | 112.2 | I8 F12 | I8-S10 PolarHBondContact O-N 3.03Å; S10-F12 PolarHBondContact O-N 3.36Å; S10-F12 WeakPolarHBondContact OG-CD2 3.42Å | ||
| 11 | P | 36.5 | Very low | 39.6 | Very low | 124 Ų | 124 | 149.2 Ų | 149.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | trans | -95.9 | 75.7 | 177.9 | 37.1 | -29.7 | 0 | 0 | 0 | 110.4 | ||||
| 12 | F | 39.3 | Very low | 42.2 | Very low | 169 Ų | 169 | 142 Ų | 142 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | -106.6 | 76.4 | 163.3 | -84.4 | -86.5 | 0 | 0 | 0 | 109.6 | S10 L14 | S10-F12 PolarHBondContact O-N 3.36Å; S10-F12 WeakPolarHBondContact OG-CD2 3.42Å; F12-L14 HydrophobicContact CD1-CD1 3.99Å; F12-L14 HydrophobicContact CE1-CD1 4.46Å | ||
| 13 | R | 33.1 | Very low | 45.1 | Very low | 244 Ų | 244 | 130.3 Ų | 130.3 | 92% | 0.921 | 67% | 0.672 | S | S | * | * | trans | -118.7 | 85.8 | 154.8 | -84.4 | -174.2 | 176.3 | -176.4 | -1.7 | 106.7 | L15 | R13-L15 PolarHBondContact O-N 3.42Š| ||
| 14 | L | 42.7 | Very low | 48 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | trans | -61.8 | 124.2 | 168.5 | -101 | 93.7 | 0 | 0 | 0 | 108.4 | F12 T16 | F12-L14 HydrophobicContact CD1-CD1 3.99Å; F12-L14 HydrophobicContact CE1-CD1 4.46Å; L14-T16 PolarHBondContact O-N 3.26Å | ||
| 15 | L | 36.4 | Very low | 51.1 | Low | 171 Ų | 171 | 116.5 Ų | 116.5 | 90% | 0.895 | 60% | 0.6 | S | S | * | * | trans | -63.9 | 95.1 | 164 | -79.7 | 148.8 | 0 | 0 | 0 | 108.1 | R13 R17 | R13-L15 PolarHBondContact O-N 3.42Å; L15-R17 PolarHBondContact O-N 2.91Å | ||
| 16 | T | 41.2 | Very low | 54.1 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | trans | -65.9 | 99.4 | 170.8 | 45 | 0 | 0 | 0 | 0 | 109 | L14 Q18 | L14-T16 PolarHBondContact O-N 3.26Å; T16-Q18 PolarHBondContact O-N 3.47Å | ||
| 17 | R | 38.3 | Very low | 57.2 | Low | 207 Ų | 207 | 105.1 Ų | 105.1 | 78% | 0.781 | 53% | 0.532 | S | S | * | . | trans | -59.8 | 127 | 154.3 | -82.5 | -179 | 167.4 | -175.3 | -3.8 | 106.6 | L15 F19 | L15-R17 PolarHBondContact O-N 2.91Å; R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 2.81Å | ||
| 18 | Q | 38.9 | Very low | 60.1 | Low | 193 Ų | 193 | 99.9 Ų | 99.9 | 90% | 0.902 | 50% | 0.5 | S | S | * | . | trans | -62.9 | 90.8 | 177.3 | -82.1 | 174.5 | -38.9 | 0 | 0 | 109.8 | T16 S20 | T16-Q18 PolarHBondContact O-N 3.47Å; Q18-S20 PolarHBondContact O-N 2.65Å | ||
| 19 | F | 48.3 | Very low | 63.2 | Low | 60 Ų | 60 | 93 Ų | 93 | 26% | 0.263 | 47% | 0.467 | S | S | . | . | trans | -63.7 | 117 | 149.7 | -74.3 | -83.4 | 0 | 0 | 0 | 105.9 | R17 S21 E446 L454 | R17-F19 VanDerWaalsContact C-N 3.33Å; R17-F19 PolarHBondContact O-N 2.81Å; F19-S21 PolarHBondContact O-N 3.4Å; F19-E446 HydrophobicContact CD2-CG 4.4Å; F19-E446 HydrophobicContact CE2-CB 3.96Å; F19-E446 HydrophobicContact CE2-CG 3.93Å; F19-L454 HydrophobicContact CE1-CD1 3.84Å; F19-L454 HydrophobicContact CE2-CD1 4.22Å; F19-L454 HydrophobicContact CZ-CD1 3.67Å | ||
| 20 | S | 51.6 | Low | 66.2 | Low | 130 Ų | 130 | 84.3 Ų | 84.3 | 91% | 0.909 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -68.2 | -9.1 | -176.2 | 179.1 | 0 | 0 | 0 | 0 | 113.2 | Q18 | Q18-S20 PolarHBondContact O-N 2.65Š|
| 21 | S | 74.3 | Confident | 69.1 | Low | 49 Ų | 49 | 80.8 Ų | 80.8 | 34% | 0.343 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -123.4 | 139.1 | -178 | 53 | 0 | 0 | 0 | 0 | 111.5 | F19 N455 | F19-S21 PolarHBondContact O-N 3.4Å; S21-N455 PolarHBondContact OG-OD1 2.56Å |
| 22 | E | 90.1 | Very high | 72.1 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 43% | 0.425 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 137.6 | 172 | -64.3 | 177.5 | 151.6 | 0 | 0 | 111.1 | Q24 G47 H49 | E22-Q24 PolarHBondContact O-N 3.33Å; E22-Q24 PolarHBondContact O-NE2 3.06Å; E22-G47 CarbonylContact C-O 3.54Å; E22-G47 WeakPolarHBondContact CA-O 3.33Å; E22-H49 HydrophobicContact CB-CB 4.27Å |
| 23 | I | 95.3 | Very high | 74.9 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 119.5 | 175.2 | -59.9 | 173.3 | 0 | 0 | 0 | 108.7 | I25 G47 V48 H49 L442 L454 | I23-I25 HydrophobicContact CG2-CG1 4.34Å; I23-G47 PolarHBondContact N-O 3.36Å; I23-V48 HydrophobicContact CB-CG1 4.21Å; I23-V48 HydrophobicContact CG2-CG1 4.48Å; I23-V48 WeakPolarHBondContact O-CA 3.27Å; I23-H49 PolarHBondContact O-N 3.24Å; I23-L442 HydrophobicContact CD1-CD2 4.38Å; I23-L442 HydrophobicContact CG2-CD2 4.01Å; I23-L454 HydrophobicContact CD1-CD2 4.03Å; I23-L454 HydrophobicContact CG1-CD2 4.26Å |
| 24 | Q | 96.9 | Very high | 78 | Confident | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.5 | -174.3 | -57.5 | -62.8 | -50.7 | 0 | 0 | 110.6 | E22 H49 Y111 S112 V113 K456 | E22-Q24 PolarHBondContact O-N 3.33Å; E22-Q24 PolarHBondContact O-NE2 3.06Å; Q24-H49 PolarHBondContact OE1-CD2 3.39Å; Q24-Y111 HydrophobicContact CB-CD1 3.9Å; Q24-Y111 HydrophobicContact CB-CE1 4.48Å; Q24-S112 WeakPolarHBondContact O-CB 3.49Å; Q24-S112 PolarHBondContact O-N 3.05Å; Q24-V113 PolarHBondContact O-N 2.95Å; Q24-K456 WeakPolarHBondContact CG-O 3.3Å |
| 25 | I | 98.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.3 | -179.1 | -58.4 | -174.7 | 0 | 0 | 0 | 109.9 | I23 I27 L41 V48 H49 I50 D51 V113 I115 L442 | I23-I25 HydrophobicContact CG2-CG1 4.34Å; I25-I27 HydrophobicContact CG2-CG1 4.4Å; I25-L41 HydrophobicContact CD1-CD1 4.09Å; I25-L41 HydrophobicContact CG2-CD1 4.4Å; I25-V48 HydrophobicContact CD1-CB 3.91Å; I25-V48 HydrophobicContact CD1-CG1 3.6Å; I25-V48 HydrophobicContact CG1-CB 4.47Å; I25-V48 HydrophobicContact CG1-CG1 4.38Å; I25-H49 PolarHBondContact N-O 3.27Å; I25-I50 HydrophobicContact CB-CG1 4.29Å; I25-I50 WeakPolarHBondContact O-CA 3.35Å; I25-D51 PolarHBondContact O-N 2.78Å; I25-V113 HydrophobicContact CG1-CB 4.18Å; I25-V113 HydrophobicContact CG2-CB 4.29Å; I25-V113 HydrophobicContact CG2-CG1 4.39Å; I25-I115 HydrophobicContact CG2-CD1 3.72Å; I25-I115 HydrophobicContact CG2-CG1 4.18Å; I25-L442 HydrophobicContact CD1-CD1 4.23Å |
| 26 | C | 98.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.9 | 171.8 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | D51 F53 Y111 V113 I114 I115 | C26-D51 WeakPolarHBondContact CA-O 3.48Å; C26-F53 VanDerWaalsContact SG-CD2 3.57Å; C26-Y111 HydrophobicContact CB-CD1 3.75Å; C26-Y111 HydrophobicContact CB-CD2 3.42Å; C26-Y111 VanDerWaalsContact CB-CD2 3.42Å; C26-Y111 HydrophobicContact CB-CE1 4.05Å; C26-Y111 HydrophobicContact CB-CE2 3.7Å; C26-Y111 HydrophobicContact CB-CG 3.44Å; C26-Y111 VanDerWaalsContact CB-CG 3.44Å; C26-V113 PolarHBondContact N-O 3.04Å; C26-I114 HydrophobicContact CB-CG1 4.47Å; C26-I114 CarbonylContact O-C 3.58Å; C26-I115 PolarHBondContact O-N 2.95Å |
| 27 | I | 98.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.2 | 168.8 | -53 | -174.4 | 0 | 0 | 0 | 109.3 | I25 A34 T37 A38 I50 D51 M52 F53 I115 A117 | I25-I27 HydrophobicContact CG2-CG1 4.4Å; I27-A34 HydrophobicContact CG2-CB 3.71Å; I27-T37 HydrophobicContact CD1-CG2 4.5Å; I27-A38 HydrophobicContact CD1-CB 3.88Å; I27-I50 HydrophobicContact CD1-CG2 3.62Å; I27-I50 HydrophobicContact CG1-CG2 3.83Å; I27-D51 PolarHBondContact N-O 3.29Å; I27-M52 HydrophobicContact CB-CG 4.41Å; I27-M52 HydrophobicContact CD1-CE 4.35Å; I27-M52 HydrophobicContact CG2-CE 4.34Å; I27-M52 CarbonylContact O-C 3.56Å; I27-M52 WeakPolarHBondContact O-CA 3.27Å; I27-F53 PolarHBondContact O-N 3Å; I27-I115 CarbonylContact C-O 3.53Å; I27-I115 WeakPolarHBondContact CA-O 3.22Å; I27-I115 HydrophobicContact CD1-CD1 4.22Å; I27-I115 HydrophobicContact CG1-CB 4.13Å; I27-I115 HydrophobicContact CG1-CD1 4Å; I27-I115 HydrophobicContact CG1-CG1 4.4Å; I27-I115 HydrophobicContact CG2-CB 4.45Å; I27-A117 HydrophobicContact CG2-CB 3.94Å |
| 28 | V | 98.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.4 | 179 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | I98 L107 I115 W116 A117 Y118 I373 | V28-I98 HydrophobicContact CB-CG1 4.43Å; V28-I98 HydrophobicContact CG1-CB 3.88Å; V28-I98 HydrophobicContact CG1-CG1 3.67Å; V28-I98 HydrophobicContact CG1-CG2 4.33Å; V28-I98 HydrophobicContact CG2-CG1 3.96Å; V28-I98 HydrophobicContact CG2-CG2 4.36Å; V28-L107 HydrophobicContact CG2-CD1 4.19Å; V28-I115 PolarHBondContact N-O 3Å; V28-W116 HydrophobicContact CB-CE3 3.71Å; V28-W116 HydrophobicContact CB-CZ3 4Å; V28-W116 HydrophobicContact CG1-CE3 3.98Å; V28-W116 HydrophobicContact CG1-CZ3 3.98Å; V28-W116 HydrophobicContact CG2-CE3 3.79Å; V28-W116 HydrophobicContact CG2-CZ3 3.72Å; V28-A117 CarbonylContact O-C 3.57Å; V28-A117 VanDerWaalsContact O-CA 3.27Å; V28-A117 WeakPolarHBondContact O-CA 2.93Å; V28-A117 PolarHBondContact O-N 3.09Å; V28-Y118 HydrophobicContact CG1-CD1 4.39Å; V28-Y118 PolarHBondContact O-N 3.32Å; V28-I373 HydrophobicContact CG1-CD1 4.06Å |
| 29 | G | 98.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | trans | 102.7 | 148.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A34 M52 F53 | G29-A34 WeakPolarHBondContact O-CB 3.47Å; G29-M52 WeakPolarHBondContact O-CG 3.31Å; G29-F53 CarbonylContact C-O 3.57Å; G29-F53 WeakPolarHBondContact CA-O 3.43Å; G29-F53 PolarHBondContact N-O 3.47Å | ||
| 30 | S | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -118.8 | 21.6 | -179.6 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | F35 E54 P59 F60 | S30-F35 VanDerWaalsContact O-CD2 3.26Å; S30-F35 WeakPolarHBondContact O-CD2 3.32Å; S30-F35 WeakPolarHBondContact O-CE2 3.38Å; S30-E54 WeakPolarHBondContact CB-OE2 3.47Å; S30-E54 PolarHBondContact N-OE2 2.82Å; S30-E54 VanDerWaalsContact OG-CD 3.28Å; S30-E54 VanDerWaalsContact OG-CG 3.3Å; S30-E54 WeakPolarHBondContact OG-CG 3.39Å; S30-E54 PolarHBondContact OG-OE2 3.31Å; S30-P59 WeakPolarHBondContact OG-CA 3.43Å; S30-F60 CarbonylContact O-C 3.54Å; S30-F60 WeakPolarHBondContact O-CA 3.47Å; S30-F60 PolarHBondContact O-N 3.16Å; S30-F60 VanDerWaalsContact O-N 3.08Å; S30-F60 PolarHBondContact OG-N 3.21Å | ||
| 31 | G | 97.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 12% | 0.124 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -73.9 | -176.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S33 A34 F35 | G31-S33 VanDerWaalsContact C-N 3.35Å; G31-S33 PolarHBondContact O-N 3.05Å; G31-A34 WeakPolarHBondContact O-CB 3.21Å; G31-A34 PolarHBondContact O-N 3.23Å; G31-A34 VanDerWaalsContact O-N 3.1Å; G31-F35 PolarHBondContact O-N 3Å |
| 32 | P | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 6% | 0.058 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -51.5 | -45 | 179 | -31.4 | 36.1 | 0 | 0 | 0 | 115.4 | A34 F35 Y36 V63 F81 I424 T427 | P32-A34 PolarHBondContact O-N 2.7Å; P32-F35 PolarHBondContact O-N 3.03Å; P32-Y36 HydrophobicContact CB-CD2 4.13Å; P32-Y36 HydrophobicContact CB-CE2 4.1Å; P32-Y36 WeakPolarHBondContact O-CB 3.46Å; P32-Y36 WeakPolarHBondContact O-CD2 3.47Å; P32-Y36 PolarHBondContact O-N 3.47Å; P32-V63 HydrophobicContact CG-CG2 3.46Å; P32-V63 VanDerWaalsContact CG-CG2 3.46Å; P32-F81 HydrophobicContact CB-CE2 4.31Å; P32-F81 HydrophobicContact CB-CZ 4.09Å; P32-F81 HydrophobicContact CG-CE2 4.34Å; P32-I424 HydrophobicContact CB-CG2 4.28Å; P32-I424 HydrophobicContact CG-CG1 4.41Å; P32-I424 HydrophobicContact CG-CG2 4.43Å; P32-T427 HydrophobicContact CB-CG2 4.04Å |
| 33 | S | 98.1 | Very high | 98.2 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | -179.1 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | G31 T37 A431 | G31-S33 VanDerWaalsContact C-N 3.35Å; G31-S33 PolarHBondContact O-N 3.05Å; S33-T37 VanDerWaalsContact O-CB 3.24Å; S33-T37 WeakPolarHBondContact O-CB 3.28Å; S33-T37 PolarHBondContact O-N 2.92Å; S33-T37 PolarHBondContact O-OG1 2.94Å; S33-A431 WeakPolarHBondContact O-CB 3.48Å |
| 34 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.8 | -51.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I27 G29 G31 P32 T37 A38 M52 A117 | I27-A34 HydrophobicContact CG2-CB 3.71Å; G29-A34 WeakPolarHBondContact O-CB 3.47Å; G31-A34 WeakPolarHBondContact O-CB 3.21Å; G31-A34 PolarHBondContact O-N 3.23Å; G31-A34 VanDerWaalsContact O-N 3.1Å; P32-A34 PolarHBondContact O-N 2.7Å; A34-T37 PolarHBondContact O-N 3.32Å; A34-A38 WeakPolarHBondContact O-CB 3.26Å; A34-A38 PolarHBondContact O-N 3.2Å; A34-M52 HydrophobicContact CB-CE 3.67Å; A34-M52 HydrophobicContact CB-SD 4.17Å; A34-A117 HydrophobicContact CB-CB 3.7Å |
| 35 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.6 | -39.3 | -178.8 | -85.3 | -77.5 | 0 | 0 | 0 | 113.6 | S30 G31 P32 T37 A38 Q39 M52 P59 F60 F81 V84 A85 F90 | S30-F35 VanDerWaalsContact O-CD2 3.26Å; S30-F35 WeakPolarHBondContact O-CD2 3.32Å; S30-F35 WeakPolarHBondContact O-CE2 3.38Å; G31-F35 PolarHBondContact O-N 3Å; P32-F35 PolarHBondContact O-N 3.03Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.26Å; F35-A38 PolarHBondContact O-N 3.35Å; F35-Q39 VanDerWaalsContact O-CB 3.27Å; F35-Q39 WeakPolarHBondContact O-CB 3.35Å; F35-Q39 PolarHBondContact O-N 3.08Å; F35-M52 HydrophobicContact CD1-CE 4.3Å; F35-M52 HydrophobicContact CD2-CE 4.35Å; F35-M52 HydrophobicContact CD2-SD 4.16Å; F35-M52 HydrophobicContact CE1-CE 4.46Å; F35-M52 HydrophobicContact CE1-SD 4.33Å; F35-M52 HydrophobicContact CE2-SD 3.81Å; F35-M52 HydrophobicContact CG-CE 4.25Å; F35-M52 HydrophobicContact CZ-SD 3.91Å; F35-P59 HydrophobicContact CE2-CB 4.28Å; F35-P59 HydrophobicContact CZ-CB 4.23Å; F35-F60 HydrophobicContact CD2-CD1 4.25Å; F35-F60 HydrophobicContact CE1-CE1 4.39Å; F35-F60 AromaticContact CE2-CD1 3.62Å; F35-F60 HydrophobicContact CE2-CD1 3.62Å; F35-F60 HydrophobicContact CE2-CE1 4.01Å; F35-F60 AromaticContact CZ-CD1 3.9Å; F35-F60 HydrophobicContact CZ-CD1 3.9Å; F35-F60 AromaticContact CZ-CE1 3.78Å; F35-F60 HydrophobicContact CZ-CE1 3.78Å; F35-F81 HydrophobicContact CB-CB 4.17Å; F35-F81 HydrophobicContact CB-CD1 3.35Å; F35-F81 HydrophobicContact CB-CD2 3.99Å; F35-F81 HydrophobicContact CB-CE1 3.57Å; F35-F81 HydrophobicContact CB-CE2 4.18Å; F35-F81 HydrophobicContact CB-CG 3.58Å; F35-F81 HydrophobicContact CB-CZ 3.98Å; F35-F81 HydrophobicContact CD1-CB 3.66Å; F35-F81 HydrophobicContact CD1-CD1 4.33Å; F35-F81 HydrophobicContact CD1-CG 4.06Å; F35-F81 HydrophobicContact CD2-CB 4.09Å; F35-F81 AromaticContact CD2-CD2 3.95Å; F35-F81 HydrophobicContact CD2-CD2 3.95Å; F35-F81 HydrophobicContact CD2-CG 4.01Å; F35-F81 HydrophobicContact CE1-CB 4Å; F35-F81 WeakPolarHBondContact CE1-O 3.33Å; F35-F81 HydrophobicContact CE2-CB 4.39Å; F35-F81 HydrophobicContact CG-CB 3.7Å; F35-F81 AromaticContact CG-CD1 3.91Å; F35-F81 HydrophobicContact CG-CD1 3.91Å; F35-F81 HydrophobicContact CG-CD2 4.01Å; F35-F81 AromaticContact CG-CG 3.62Å; F35-F81 HydrophobicContact CG-CG 3.62Å; F35-F81 HydrophobicContact CZ-CB 4.35Å; F35-V84 HydrophobicContact CD1-CB 4.13Å; F35-V84 HydrophobicContact CD1-CG1 4.08Å; F35-A85 HydrophobicContact CE1-CB 4.2Å; F35-F90 HydrophobicContact CE1-CZ 4.03Å |
| 36 | Y | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 17% | 0.165 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -35.4 | 174.9 | -75.7 | -56.9 | 0 | 0 | 0 | 112.2 | P32 T40 V77 F81 I424 A428 A431 | P32-Y36 HydrophobicContact CB-CD2 4.13Å; P32-Y36 HydrophobicContact CB-CE2 4.1Å; P32-Y36 WeakPolarHBondContact O-CB 3.46Å; P32-Y36 WeakPolarHBondContact O-CD2 3.47Å; P32-Y36 PolarHBondContact O-N 3.47Å; Y36-T40 WeakPolarHBondContact O-CB 3.34Å; Y36-T40 PolarHBondContact O-N 3.42Å; Y36-T40 VanDerWaalsContact O-N 3.1Å; Y36-T40 PolarHBondContact O-OG1 3.13Å; Y36-V77 VanDerWaalsContact OH-CG2 3.24Å; Y36-V77 WeakPolarHBondContact OH-CG2 3.27Å; Y36-F81 HydrophobicContact CD1-CE1 4.09Å; Y36-F81 HydrophobicContact CD2-CE1 4.21Å; Y36-F81 HydrophobicContact CD2-CZ 4.06Å; Y36-F81 AromaticContact CE1-CE1 3.92Å; Y36-F81 HydrophobicContact CE1-CE1 3.92Å; Y36-F81 HydrophobicContact CE1-CZ 4.42Å; Y36-F81 HydrophobicContact CE2-CE1 4.04Å; Y36-F81 AromaticContact CE2-CZ 3.73Å; Y36-F81 HydrophobicContact CE2-CZ 3.73Å; Y36-F81 HydrophobicContact CG-CE1 4.23Å; Y36-F81 AromaticContact CZ-CE1 3.9Å; Y36-F81 AromaticContact CZ-CZ 3.95Å; Y36-I424 HydrophobicContact CE2-CG2 4.07Å; Y36-A428 HydrophobicContact CD1-CB 4.18Å; Y36-A428 HydrophobicContact CD2-CB 3.6Å; Y36-A428 HydrophobicContact CE1-CB 4.06Å; Y36-A428 HydrophobicContact CE2-CB 3.48Å; Y36-A428 VanDerWaalsContact CE2-CB 3.48Å; Y36-A428 HydrophobicContact CG-CB 3.96Å; Y36-A431 VanDerWaalsContact CB-CB 3.5Å |
| 37 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.4 | -50.1 | 173.5 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | I27 S33 A34 F35 Q39 T40 L41 I115 A431 A435 | I27-T37 HydrophobicContact CD1-CG2 4.5Å; S33-T37 VanDerWaalsContact O-CB 3.24Å; S33-T37 WeakPolarHBondContact O-CB 3.28Å; S33-T37 PolarHBondContact O-N 2.92Å; S33-T37 PolarHBondContact O-OG1 2.94Å; A34-T37 PolarHBondContact O-N 3.32Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.26Å; T37-Q39 VanDerWaalsContact C-N 3.34Å; T37-Q39 PolarHBondContact O-N 2.97Å; T37-T40 PolarHBondContact O-N 3.4Å; T37-T40 VanDerWaalsContact O-N 3.17Å; T37-L41 HydrophobicContact CG2-CD1 3.89Å; T37-L41 HydrophobicContact CG2-CG 4.39Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 3.16Å; T37-I115 HydrophobicContact CG2-CD1 3.77Å; T37-I115 HydrophobicContact CG2-CG2 4.28Å; T37-A431 WeakPolarHBondContact OG1-CB 3.39Å; T37-A431 PolarHBondContact OG1-O 3.43Å; T37-A435 HydrophobicContact CG2-CB 4.17Å |
| 38 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I27 A34 F35 T40 L41 L42 I50 M52 V84 F90 | I27-A38 HydrophobicContact CD1-CB 3.88Å; A34-A38 WeakPolarHBondContact O-CB 3.26Å; A34-A38 PolarHBondContact O-N 3.2Å; F35-A38 PolarHBondContact O-N 3.35Å; A38-T40 VanDerWaalsContact C-N 3.31Å; A38-T40 PolarHBondContact O-N 3.42Å; A38-L41 PolarHBondContact O-N 3.24Å; A38-L42 WeakPolarHBondContact O-CB 3.46Å; A38-L42 VanDerWaalsContact O-CG 3.29Å; A38-L42 WeakPolarHBondContact O-CG 3.28Å; A38-L42 PolarHBondContact O-N 3.37Å; A38-I50 HydrophobicContact CB-CD1 3.93Å; A38-I50 HydrophobicContact CB-CG2 4.45Å; A38-M52 HydrophobicContact CB-CE 4.17Å; A38-V84 HydrophobicContact CB-CG1 4.08Å; A38-F90 HydrophobicContact CB-CD2 4.33Å; A38-F90 HydrophobicContact CB-CE2 3.92Å |
| 39 | Q | 98.6 | Very high | 97.7 | Very high | 71 Ų | 71 | 29.4 Ų | 29.4 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 177.1 | -174.9 | 179.9 | 51 | 0 | 0 | 111.7 | F35 T37 K43 T80 V84 | F35-Q39 VanDerWaalsContact O-CB 3.27Å; F35-Q39 WeakPolarHBondContact O-CB 3.35Å; F35-Q39 PolarHBondContact O-N 3.08Å; T37-Q39 VanDerWaalsContact C-N 3.34Å; T37-Q39 PolarHBondContact O-N 2.97Å; Q39-K43 VanDerWaalsContact O-CB 3.22Å; Q39-K43 WeakPolarHBondContact O-CB 3.24Å; Q39-K43 PolarHBondContact O-N 2.67Å; Q39-K43 VanDerWaalsContact O-N 3.08Å; Q39-T80 VanDerWaalsContact NE2-CG2 3.28Å; Q39-V84 HydrophobicContact CB-CG2 3.78Å; Q39-V84 HydrophobicContact CG-CG2 3.97Å |
| 40 | T | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.1 | -42.4 | -178.6 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | Y36 T37 A38 N44 R432 A435 | Y36-T40 WeakPolarHBondContact O-CB 3.34Å; Y36-T40 PolarHBondContact O-N 3.42Å; Y36-T40 VanDerWaalsContact O-N 3.1Å; Y36-T40 PolarHBondContact O-OG1 3.13Å; T37-T40 PolarHBondContact O-N 3.4Å; T37-T40 VanDerWaalsContact O-N 3.17Å; A38-T40 VanDerWaalsContact C-N 3.31Å; A38-T40 PolarHBondContact O-N 3.42Å; T40-N44 WeakPolarHBondContact O-CB 3.22Å; T40-N44 PolarHBondContact O-N 3.06Å; T40-N44 VanDerWaalsContact O-N 3.16Å; T40-N44 PolarHBondContact O-ND2 3.2Å; T40-R432 HydrophobicContact CG2-CG 4.2Å; T40-A435 HydrophobicContact CG2-CB 3.52Å |
| 41 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -50.8 | 177.7 | -68.9 | 173.6 | 0 | 0 | 0 | 111.9 | I25 T37 A38 K43 N44 H45 I50 I115 A435 I438 L439 | I25-L41 HydrophobicContact CD1-CD1 4.09Å; I25-L41 HydrophobicContact CG2-CD1 4.4Å; T37-L41 HydrophobicContact CG2-CD1 3.89Å; T37-L41 HydrophobicContact CG2-CG 4.39Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 3.16Å; A38-L41 PolarHBondContact O-N 3.24Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 3.05Å; L41-N44 PolarHBondContact O-N 2.9Å; L41-H45 PolarHBondContact O-N 3.23Å; L41-I50 HydrophobicContact CB-CD1 3.91Å; L41-I50 HydrophobicContact CD1-CD1 4.18Å; L41-I115 HydrophobicContact CD1-CD1 3.65Å; L41-A435 HydrophobicContact CD2-CB 4.18Å; L41-A435 HydrophobicContact CG-CB 4.15Å; L41-I438 HydrophobicContact CD2-CB 4.11Å; L41-I438 HydrophobicContact CD2-CG2 3.84Å; L41-L439 HydrophobicContact CD2-CD2 3.96Å; L41-L439 HydrophobicContact CD2-CG 3.89Å |
| 42 | L | 98.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.063 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -36 | 179.6 | -72.3 | 166.7 | 0 | 0 | 0 | 112.3 | A38 V48 I50 V84 N87 R89 F90 | A38-L42 WeakPolarHBondContact O-CB 3.46Å; A38-L42 VanDerWaalsContact O-CG 3.29Å; A38-L42 WeakPolarHBondContact O-CG 3.28Å; A38-L42 PolarHBondContact O-N 3.37Å; L42-V48 HydrophobicContact CD2-CG2 4.45Å; L42-I50 HydrophobicContact CD1-CD1 4.29Å; L42-I50 HydrophobicContact CD2-CD1 4.18Å; L42-I50 HydrophobicContact CD2-CG1 4.3Å; L42-I50 HydrophobicContact CG-CD1 3.76Å; L42-I50 HydrophobicContact CG-CG1 4.42Å; L42-V84 HydrophobicContact CD1-CG1 4.01Å; L42-N87 HydrophobicContact CD1-CB 4.17Å; L42-R89 HydrophobicContact CD2-CB 3.88Å; L42-R89 PolarHBondContact O-NH2 3.49Å; L42-F90 HydrophobicContact CD1-CB 4.28Å; L42-F90 HydrophobicContact CD1-CD2 4.19Å |
| 43 | K | 97.8 | Very high | 97.8 | Very high | 173 Ų | 173 | 28.1 Ų | 28.1 | 75% | 0.752 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -69.7 | -38.1 | 178.3 | -179 | 177.7 | 177.5 | -178.3 | 0 | 112.6 | Q39 L41 | Q39-K43 VanDerWaalsContact O-CB 3.22Å; Q39-K43 WeakPolarHBondContact O-CB 3.24Å; Q39-K43 PolarHBondContact O-N 2.67Å; Q39-K43 VanDerWaalsContact O-N 3.08Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 PolarHBondContact O-N 3.05Å |
| 44 | N | 97.7 | Very high | 97.9 | Very high | 93 Ų | 93 | 28.9 Ų | 28.9 | 50% | 0.497 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -105.9 | -8.3 | -167.9 | -64.8 | -70.1 | 0 | 0 | 0 | 114.2 | T40 L41 L439 | T40-N44 WeakPolarHBondContact O-CB 3.22Å; T40-N44 PolarHBondContact O-N 3.06Å; T40-N44 VanDerWaalsContact O-N 3.16Å; T40-N44 PolarHBondContact O-ND2 3.2Å; L41-N44 PolarHBondContact O-N 2.9Å; N44-L439 HydrophobicContact CB-CD1 3.56Å; N44-L439 HydrophobicContact CB-CD2 4.33Å |
| 45 | H | 95.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 35.4 Ų | 35.4 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | trans | -129.1 | 117.1 | 174.1 | -155.2 | -72.2 | 0 | 0 | 0 | 111.1 | L41 G47 V48 R89 L439 E446 | L41-H45 PolarHBondContact O-N 3.23Å; H45-G47 PolarHBondContact ND1-N 2.82Å; H45-G47 VanDerWaalsContact ND1-N 3.19Å; H45-V48 HydrophobicContact CB-CG1 3.84Å; H45-V48 HydrophobicContact CB-CG2 4.03Å; H45-R89 PolarHBondContact O-NH1 3.23Å; H45-L439 HydrophobicContact CB-CD2 3.67Å; H45-E446 IonicContact CE1-OE1 3.08Å; H45-E446 IonicContact NE2-OE1 3.64Å; H45-E446 IonicContact NE2-OE2 3.73Å | ||
| 46 | P | 93.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 68% | 0.675 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -27 | -179.3 | 28.5 | -33.6 | 0 | 0 | 0 | 113 | R89 | P46-R89 VanDerWaalsContact CA-NH1 3.31Å; P46-R89 PolarHBondContact O-NH1 3.34Å |
| 47 | G | 93.7 | Very high | 97.7 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 16.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | E22 I23 H45 | E22-G47 CarbonylContact C-O 3.54Å; E22-G47 WeakPolarHBondContact CA-O 3.33Å; I23-G47 PolarHBondContact N-O 3.36Å; H45-G47 PolarHBondContact ND1-N 2.82Å; H45-G47 VanDerWaalsContact ND1-N 3.19Å |
| 48 | V | 96.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 143.3 | 176.1 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | I23 I25 L42 H45 R89 L442 | I23-V48 HydrophobicContact CB-CG1 4.21Å; I23-V48 HydrophobicContact CG2-CG1 4.48Å; I23-V48 WeakPolarHBondContact O-CA 3.27Å; I25-V48 HydrophobicContact CD1-CB 3.91Å; I25-V48 HydrophobicContact CD1-CG1 3.6Å; I25-V48 HydrophobicContact CG1-CB 4.47Å; I25-V48 HydrophobicContact CG1-CG1 4.38Å; L42-V48 HydrophobicContact CD2-CG2 4.45Å; H45-V48 HydrophobicContact CB-CG1 3.84Å; H45-V48 HydrophobicContact CB-CG2 4.03Å; V48-R89 WeakPolarHBondContact O-CB 3.41Å; V48-L442 HydrophobicContact CG1-CD1 4.21Å |
| 49 | H | 98 | Very high | 97.6 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.4 | 164.1 | -179.1 | 85.8 | 0 | 0 | 0 | 109 | E22 I23 Q24 I25 D51 R89 S91 | E22-H49 HydrophobicContact CB-CB 4.27Å; I23-H49 PolarHBondContact O-N 3.24Å; Q24-H49 PolarHBondContact OE1-CD2 3.39Å; I25-H49 PolarHBondContact N-O 3.27Å; H49-D51 IonicContact CD2-OD1 2.77Å; H49-D51 IonicContact CD2-OD2 3.86Å; H49-D51 IonicContact NE2-OD1 2.75Å; H49-D51 PolarHBondContact NE2-OD1 3.19Å; H49-D51 IonicContact NE2-OD2 3.95Å; H49-R89 WeakPolarHBondContact CA-O 3.38Å; H49-R89 WeakPolarHBondContact ND1-CA 3.23Å; H49-R89 PolarHBondContact ND1-O 2.82Å; H49-S91 PolarHBondContact NE2-OG 3.27Å |
| 50 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.7 | -173.4 | -57.8 | -174.6 | 0 | 0 | 0 | 110.5 | I25 I27 A38 L41 L42 R89 F90 S91 | I25-I50 HydrophobicContact CB-CG1 4.29Å; I25-I50 WeakPolarHBondContact O-CA 3.35Å; I27-I50 HydrophobicContact CD1-CG2 3.62Å; I27-I50 HydrophobicContact CG1-CG2 3.83Å; A38-I50 HydrophobicContact CB-CD1 3.93Å; A38-I50 HydrophobicContact CB-CG2 4.45Å; L41-I50 HydrophobicContact CB-CD1 3.91Å; L41-I50 HydrophobicContact CD1-CD1 4.18Å; L42-I50 HydrophobicContact CD1-CD1 4.29Å; L42-I50 HydrophobicContact CD2-CD1 4.18Å; L42-I50 HydrophobicContact CD2-CG1 4.3Å; L42-I50 HydrophobicContact CG-CD1 3.76Å; L42-I50 HydrophobicContact CG-CG1 4.42Å; I50-R89 PolarHBondContact N-O 2.79Å; I50-F90 HydrophobicContact CB-CD2 3.98Å; I50-F90 HydrophobicContact CG2-CD2 3.97Å; I50-F90 HydrophobicContact CG2-CE2 4.02Å; I50-F90 CarbonylContact O-C 3.54Å; I50-F90 WeakPolarHBondContact O-CA 3.42Å; I50-S91 PolarHBondContact O-N 2.93Å |
| 51 | D | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116 | 169.6 | -67.2 | -41.3 | 0 | 0 | 0 | 109.5 | I25 C26 I27 H49 F53 S91 L93 Y111 L459 | I25-D51 PolarHBondContact O-N 2.78Å; C26-D51 WeakPolarHBondContact CA-O 3.48Å; I27-D51 PolarHBondContact N-O 3.29Å; H49-D51 IonicContact CD2-OD1 2.77Å; H49-D51 IonicContact CD2-OD2 3.86Å; H49-D51 IonicContact NE2-OD1 2.75Å; H49-D51 PolarHBondContact NE2-OD1 3.19Å; H49-D51 IonicContact NE2-OD2 3.95Å; D51-F53 HydrophobicContact CB-CE2 4.19Å; D51-S91 WeakPolarHBondContact OD1-CB 3.25Å; D51-S91 PolarHBondContact OD1-OG 3.05Å; D51-L93 HydrophobicContact CB-CD1 3.68Å; D51-Y111 HydrophobicContact CB-CE1 3.87Å; D51-Y111 WeakPolarHBondContact CB-OH 3.32Å; D51-Y111 WeakPolarHBondContact OD2-CE1 3.32Å; D51-Y111 PolarHBondContact OD2-OH 2.69Å; D51-L459 WeakPolarHBondContact OD2-CB 3.3Å; D51-L459 PolarHBondContact OD2-N 2.74Å |
| 52 | M | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119 | -177.9 | -177.4 | 179.2 | -69.9 | 0 | 0 | 111.1 | I27 G29 A34 F35 A38 F90 S91 L93 | I27-M52 HydrophobicContact CB-CG 4.41Å; I27-M52 HydrophobicContact CD1-CE 4.35Å; I27-M52 HydrophobicContact CG2-CE 4.34Å; I27-M52 CarbonylContact O-C 3.56Å; I27-M52 WeakPolarHBondContact O-CA 3.27Å; G29-M52 WeakPolarHBondContact O-CG 3.31Å; A34-M52 HydrophobicContact CB-CE 3.67Å; A34-M52 HydrophobicContact CB-SD 4.17Å; F35-M52 HydrophobicContact CD1-CE 4.3Å; F35-M52 HydrophobicContact CD2-CE 4.35Å; F35-M52 HydrophobicContact CD2-SD 4.16Å; F35-M52 HydrophobicContact CE1-CE 4.46Å; F35-M52 HydrophobicContact CE1-SD 4.33Å; F35-M52 HydrophobicContact CE2-SD 3.81Å; F35-M52 HydrophobicContact CG-CE 4.25Å; F35-M52 HydrophobicContact CZ-SD 3.91Å; A38-M52 HydrophobicContact CB-CE 4.17Å; M52-F90 HydrophobicContact CB-CE2 4.05Å; M52-F90 HydrophobicContact CB-CZ 3.66Å; M52-F90 HydrophobicContact CE-CE2 3.75Å; M52-F90 HydrophobicContact CE-CZ 3.74Å; M52-F90 HydrophobicContact CG-CZ 4.37Å; M52-F90 HydrophobicContact SD-CE2 4.46Å; M52-F90 HydrophobicContact SD-CZ 3.86Å; M52-S91 PolarHBondContact N-O 3.27Å; M52-L93 PolarHBondContact O-N 3.15Å |
| 53 | F | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.7 | 179.9 | -67.8 | -88.7 | 0 | 0 | 0 | 111.9 | C26 I27 G29 D51 L93 V96 I98 L107 Y111 V462 | C26-F53 VanDerWaalsContact SG-CD2 3.57Å; I27-F53 PolarHBondContact O-N 3Å; G29-F53 CarbonylContact C-O 3.57Å; G29-F53 WeakPolarHBondContact CA-O 3.43Å; G29-F53 PolarHBondContact N-O 3.47Å; D51-F53 HydrophobicContact CB-CE2 4.19Å; F53-L93 WeakPolarHBondContact CA-O 3.31Å; F53-L93 HydrophobicContact CD1-CB 3.87Å; F53-L93 HydrophobicContact CD1-CD1 4.4Å; F53-L93 HydrophobicContact CE1-CB 4.01Å; F53-L93 HydrophobicContact CE1-CD1 4.07Å; F53-L93 HydrophobicContact CE1-CD2 4.07Å; F53-L93 HydrophobicContact CE1-CG 4.27Å; F53-L93 HydrophobicContact CE2-CD1 4.22Å; F53-L93 HydrophobicContact CZ-CD1 3.97Å; F53-L93 HydrophobicContact CZ-CD2 4.4Å; F53-V96 HydrophobicContact CD1-CB 4.03Å; F53-V96 HydrophobicContact CD1-CG1 3.76Å; F53-V96 HydrophobicContact CD1-CG2 4.45Å; F53-V96 HydrophobicContact CE1-CG1 4.25Å; F53-I98 HydrophobicContact CB-CD1 4.04Å; F53-I98 HydrophobicContact CB-CG1 4.01Å; F53-I98 HydrophobicContact CD1-CD1 3.97Å; F53-I98 HydrophobicContact CD2-CD1 4.5Å; F53-I98 HydrophobicContact CG-CD1 3.9Å; F53-I98 HydrophobicContact CG-CG1 4.39Å; F53-L107 HydrophobicContact CE2-CD2 4.45Å; F53-Y111 HydrophobicContact CE2-CE2 4.03Å; F53-Y111 AromaticContact CE2-CZ 3.9Å; F53-Y111 WeakPolarHBondContact CE2-OH 3.38Å; F53-Y111 HydrophobicContact CZ-CE2 4.36Å; F53-Y111 VanDerWaalsContact CZ-OH 3.31Å; F53-Y111 WeakPolarHBondContact CZ-OH 3.49Å; F53-V462 HydrophobicContact CE1-CG1 3.97Å; F53-V462 HydrophobicContact CZ-CG1 3.89Å; F53-V462 HydrophobicContact CZ-CG2 4.42Å |
| 54 | E | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 11% | 0.107 | 14% | 0.144 | C | C | . | . | trans | -136.3 | 135.7 | 176.7 | 175.9 | 50.3 | -112.1 | 0 | 0 | 110.5 | S30 L56 S58 F92 L93 G94 N95 V96 | S30-E54 WeakPolarHBondContact CB-OE2 3.47Å; S30-E54 PolarHBondContact N-OE2 2.82Å; S30-E54 VanDerWaalsContact OG-CD 3.28Å; S30-E54 VanDerWaalsContact OG-CG 3.3Å; S30-E54 WeakPolarHBondContact OG-CG 3.39Å; S30-E54 PolarHBondContact OG-OE2 3.31Å; E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 HydrophobicContact CG-CB 4.22Å; E54-L56 WeakPolarHBondContact CG-O 3.37Å; E54-L56 PolarHBondContact O-N 2.89Å; E54-L56 PolarHBondContact OE1-N 3.46Å; E54-S58 WeakPolarHBondContact CG-O 3.46Å; E54-F92 HydrophobicContact CB-CE2 3.48Å; E54-F92 VanDerWaalsContact CB-CE2 3.48Å; E54-F92 HydrophobicContact CB-CZ 3.73Å; E54-F92 HydrophobicContact CG-CE2 4.12Å; E54-F92 HydrophobicContact CG-CZ 4.08Å; E54-L93 PolarHBondContact N-O 2.85Å; E54-G94 CarbonylContact O-C 3.12Å; E54-G94 WeakPolarHBondContact O-CA 2.99Å; E54-N95 PolarHBondContact O-N 3.28Å; E54-V96 CarbonylContact C-O 3.57Å; E54-V96 PolarHBondContact O-N 3.34Å | ||
| 55 | K | 97.3 | Very high | 97.1 | Very high | 137 Ų | 137 | 22.1 Ų | 22.1 | 60% | 0.596 | 12% | 0.123 | S | C | * | . | S | Bend | trans | -65.4 | -36.7 | 177.8 | 165.1 | 166.6 | -175.5 | -171.3 | 0 | 111.2 | N95 V96 C97 | K55-N95 WeakPolarHBondContact O-CA 3.36Å; K55-V96 WeakPolarHBondContact CA-O 2.91Å; K55-C97 VanDerWaalsContact CG-SG 3.51Å |
| 56 | L | 97.6 | Very high | 97 | Very high | 31 Ų | 31 | 22.4 Ų | 22.4 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -84.9 | 155.2 | 179.2 | -60.6 | -178.2 | 0 | 0 | 0 | 112.3 | E54 S58 Y65 G94 N95 V149 P150 I503 | E54-L56 VanDerWaalsContact C-N 3.3Å; E54-L56 HydrophobicContact CG-CB 4.22Å; E54-L56 WeakPolarHBondContact CG-O 3.37Å; E54-L56 PolarHBondContact O-N 2.89Å; E54-L56 PolarHBondContact OE1-N 3.46Å; L56-S58 PolarHBondContact O-N 3.25Å; L56-S58 VanDerWaalsContact O-N 3.15Å; L56-Y65 HydrophobicContact CD1-CD2 3.99Å; L56-Y65 HydrophobicContact CD1-CE2 3.6Å; L56-G94 CarbonylContact O-C 3.25Å; L56-G94 WeakPolarHBondContact O-CA 3.48Å; L56-N95 PolarHBondContact O-N 3.24Å; L56-V149 HydrophobicContact CD1-CG2 4.42Å; L56-P150 HydrophobicContact CD1-CG 4.28Å; L56-P150 HydrophobicContact CD2-CG 3.99Å; L56-I503 HydrophobicContact CD2-CD1 4.04Å |
| 57 | P | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -59.5 | -16.9 | 167.8 | -27.7 | 36.8 | 0 | 0 | 0 | 114.4 | N95 V474 I482 I503 M506 L507 | P57-N95 HydrophobicContact CG-CB 4.27Å; P57-V474 HydrophobicContact CB-CG1 4.47Å; P57-V474 HydrophobicContact CB-CG2 4.06Å; P57-V474 VanDerWaalsContact O-CG1 3.3Å; P57-V474 WeakPolarHBondContact O-CG1 3.36Å; P57-I482 HydrophobicContact CB-CD1 4.18Å; P57-I503 VanDerWaalsContact CD-CD1 3.47Å; P57-I503 HydrophobicContact CG-CD1 3.98Å; P57-I503 HydrophobicContact CG-CG2 4.23Å; P57-M506 HydrophobicContact CB-CB 4.1Å; P57-M506 HydrophobicContact CB-CE 4.03Å; P57-M506 HydrophobicContact CB-SD 4.29Å; P57-M506 HydrophobicContact CG-CB 4.17Å; P57-M506 HydrophobicContact CG-SD 4.22Å; P57-L507 HydrophobicContact CB-CD2 4.47Å; P57-L507 HydrophobicContact CG-CD2 4.05Å; P57-L507 HydrophobicContact CG-CG 4.43Å |
| 58 | S | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -113.2 | 140.2 | -176.2 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | E54 L56 Y65 W479 | E54-S58 WeakPolarHBondContact CG-O 3.46Å; L56-S58 PolarHBondContact O-N 3.25Å; L56-S58 VanDerWaalsContact O-N 3.15Å; S58-Y65 WeakPolarHBondContact CB-OH 3.45Å; S58-Y65 VanDerWaalsContact OG-CE2 3.3Å; S58-Y65 WeakPolarHBondContact OG-CE2 3.2Å; S58-Y65 PolarHBondContact OG-OH 2.9Å; S58-W479 VanDerWaalsContact CB-CE3 3.49Å |
| 59 | P | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -77.4 | -174.3 | 172.6 | 32.7 | -32.6 | 0 | 0 | 0 | 113 | S30 F35 G61 F92 F476 W479 | S30-P59 WeakPolarHBondContact OG-CA 3.43Å; F35-P59 HydrophobicContact CE2-CB 4.28Å; F35-P59 HydrophobicContact CZ-CB 4.23Å; P59-G61 VanDerWaalsContact C-N 3.27Å; P59-G61 PolarHBondContact O-N 3.37Å; P59-F92 HydrophobicContact CB-CD2 4.07Å; P59-F92 HydrophobicContact CB-CE1 4.4Å; P59-F92 HydrophobicContact CB-CE2 3.58Å; P59-F92 HydrophobicContact CB-CZ 3.76Å; P59-F92 HydrophobicContact CG-CE2 4.5Å; P59-F92 HydrophobicContact CG-CZ 4.29Å; P59-F476 HydrophobicContact CG-CE2 4.09Å; P59-W479 VanDerWaalsContact CD-CE2 3.44Å; P59-W479 HydrophobicContact CG-CD2 4.01Å; P59-W479 HydrophobicContact CG-CG 3.85Å |
| 60 | F | 98 | Very high | 97 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | trans | 79.2 | -8.6 | 169.6 | -43.8 | -52.2 | 0 | 0 | 0 | 116 | S30 F35 L62 V63 R64 M78 F81 T82 F476 W479 | S30-F60 CarbonylContact O-C 3.54Å; S30-F60 WeakPolarHBondContact O-CA 3.47Å; S30-F60 PolarHBondContact O-N 3.16Å; S30-F60 VanDerWaalsContact O-N 3.08Å; S30-F60 PolarHBondContact OG-N 3.21Å; F35-F60 HydrophobicContact CD2-CD1 4.25Å; F35-F60 HydrophobicContact CE1-CE1 4.39Å; F35-F60 AromaticContact CE2-CD1 3.62Å; F35-F60 HydrophobicContact CE2-CD1 3.62Å; F35-F60 HydrophobicContact CE2-CE1 4.01Å; F35-F60 AromaticContact CZ-CD1 3.9Å; F35-F60 HydrophobicContact CZ-CD1 3.9Å; F35-F60 AromaticContact CZ-CE1 3.78Å; F35-F60 HydrophobicContact CZ-CE1 3.78Å; F60-L62 PolarHBondContact O-N 3.02Å; F60-L62 VanDerWaalsContact O-N 3.16Å; F60-V63 PolarHBondContact O-N 2.88Å; F60-R64 HydrophobicContact CB-CB 4.19Å; F60-M78 HydrophobicContact CB-CG 3.99Å; F60-M78 HydrophobicContact CB-SD 4.33Å; F60-M78 HydrophobicContact CD1-CG 4.36Å; F60-M78 HydrophobicContact CD2-CB 4.45Å; F60-M78 HydrophobicContact CD2-CE 3.47Å; F60-M78 VanDerWaalsContact CD2-CE 3.47Å; F60-M78 HydrophobicContact CD2-CG 3.89Å; F60-M78 HydrophobicContact CD2-SD 4.03Å; F60-M78 HydrophobicContact CE2-CE 3.74Å; F60-M78 HydrophobicContact CE2-CG 4.43Å; F60-M78 HydrophobicContact CG-CE 4.35Å; F60-M78 HydrophobicContact CG-CG 3.82Å; F60-M78 HydrophobicContact CG-SD 4.37Å; F60-F81 HydrophobicContact CD1-CB 3.73Å; F60-F81 HydrophobicContact CD1-CD2 4.01Å; F60-F81 HydrophobicContact CD1-CG 4.4Å; F60-F81 HydrophobicContact CE1-CB 3.55Å; F60-T82 WeakPolarHBondContact CZ-OG1 3.45Å; F60-F476 HydrophobicContact CZ-CE2 4.23Å; F60-F476 HydrophobicContact CZ-CZ 4.35Å; F60-W479 HydrophobicContact CE2-CZ2 4.25Å; F60-W479 AromaticContact CE2-NE1 3.79Å | ||
| 61 | G | 95.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 17% | 0.165 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.1 | -118.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P59 V63 R64 Y65 | P59-G61 VanDerWaalsContact C-N 3.27Å; P59-G61 PolarHBondContact O-N 3.37Å; G61-V63 VanDerWaalsContact C-N 3.25Å; G61-V63 PolarHBondContact O-N 2.88Å; G61-R64 PolarHBondContact O-N 3.16Å; G61-Y65 PolarHBondContact O-N 3.2Å |
| 62 | L | 94.7 | Very high | 96.4 | Very high | 57 Ų | 57 | 20.8 Ų | 20.8 | 30% | 0.298 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -54 | -35.6 | -177.8 | -178.5 | 149.8 | 0 | 0 | 0 | 114 | F60 R64 G66 V67 W415 I424 | F60-L62 PolarHBondContact O-N 3.02Å; F60-L62 VanDerWaalsContact O-N 3.16Å; L62-R64 PolarHBondContact O-N 3.45Å; L62-G66 CarbonylContact O-C 3.53Å; L62-G66 WeakPolarHBondContact O-CA 3.35Å; L62-G66 PolarHBondContact O-N 3.49Å; L62-V67 HydrophobicContact CD2-CG2 4.18Å; L62-V67 PolarHBondContact O-N 2.85Å; L62-W415 HydrophobicContact CD1-CE3 4.18Å; L62-W415 HydrophobicContact CD1-CH2 3.37Å; L62-W415 HydrophobicContact CD1-CZ2 4.05Å; L62-W415 HydrophobicContact CD1-CZ3 3.45Å; L62-W415 VanDerWaalsContact CD1-CZ3 3.45Å; L62-I424 HydrophobicContact CD2-CD1 4.16Å; L62-I424 HydrophobicContact CD2-CG1 4.18Å |
| 63 | V | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | P32 F60 G61 K75 V77 M78 F81 I424 | P32-V63 HydrophobicContact CG-CG2 3.46Å; P32-V63 VanDerWaalsContact CG-CG2 3.46Å; F60-V63 PolarHBondContact O-N 2.88Å; G61-V63 VanDerWaalsContact C-N 3.25Å; G61-V63 PolarHBondContact O-N 2.88Å; V63-K75 HydrophobicContact CG1-CB 4.3Å; V63-K75 HydrophobicContact CG1-CG 4.5Å; V63-V77 HydrophobicContact CB-CG1 4.3Å; V63-V77 HydrophobicContact CG1-CG1 3.58Å; V63-V77 HydrophobicContact CG2-CG1 3.73Å; V63-M78 HydrophobicContact CB-CG 4.28Å; V63-M78 HydrophobicContact CG1-CG 3.66Å; V63-M78 HydrophobicContact CG1-SD 4.02Å; V63-F81 HydrophobicContact CG2-CE2 4.04Å; V63-I424 HydrophobicContact CG2-CD1 4.2Å |
| 64 | R | 97 | Very high | 95.9 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.8 | -40.9 | -178.1 | -178.5 | 173.5 | 172.4 | 70.9 | 6.3 | 112.6 | F60 G61 L62 M78 W479 E486 | F60-R64 HydrophobicContact CB-CB 4.19Å; G61-R64 PolarHBondContact O-N 3.16Å; L62-R64 PolarHBondContact O-N 3.45Å; R64-M78 HydrophobicContact CB-SD 4.44Å; R64-W479 VanDerWaalsContact CZ-CH2 3.4Å; R64-E486 IonicContact CZ-OE1 3.38Å; R64-E486 IonicContact CZ-OE2 3.3Å; R64-E486 IonicContact NH1-OE2 3.63Å; R64-E486 PolarHBondContact NH1-OE2 2.93Å; R64-E486 IonicContact NH2-OE1 3.67Å; R64-E486 PolarHBondContact NH2-OE1 3.42Å; R64-E486 IonicContact NH2-OE2 2.74Å; R64-E486 PolarHBondContact NH2-OE2 3.28Å |
| 65 | Y | 96.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -115.3 | -8.2 | -169.1 | -60 | -59.4 | 0 | 0 | 0 | 115.7 | L56 S58 G61 N147 G148 V149 K499 | L56-Y65 HydrophobicContact CD1-CD2 3.99Å; L56-Y65 HydrophobicContact CD1-CE2 3.6Å; S58-Y65 WeakPolarHBondContact CB-OH 3.45Å; S58-Y65 VanDerWaalsContact OG-CE2 3.3Å; S58-Y65 WeakPolarHBondContact OG-CE2 3.2Å; S58-Y65 PolarHBondContact OG-OH 2.9Å; G61-Y65 PolarHBondContact O-N 3.2Å; Y65-N147 VanDerWaalsContact O-CB 3.32Å; Y65-N147 WeakPolarHBondContact O-CB 3.28Å; Y65-N147 PolarHBondContact O-ND2 2.75Å; Y65-G148 WeakPolarHBondContact CE1-O 3.48Å; Y65-V149 HydrophobicContact CD1-CB 3.98Å; Y65-V149 HydrophobicContact CD1-CG2 4.19Å; Y65-V149 HydrophobicContact CD2-CG2 4.26Å; Y65-V149 HydrophobicContact CG-CB 4.18Å; Y65-V149 HydrophobicContact CG-CG2 4Å; Y65-K499 HydrophobicContact CE1-CD 4.21Å |
| 66 | G | 94.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 25.2 Ų | 25.2 | 29% | 0.289 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -25.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L62 | L62-G66 CarbonylContact O-C 3.53Å; L62-G66 WeakPolarHBondContact O-CA 3.35Å; L62-G66 PolarHBondContact O-N 3.49Å |
| 67 | V | 96 | Very high | 95.5 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 9% | 0.085 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -73.1 | 131.5 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 109 | L62 H71 V74 K75 N147 I424 | L62-V67 HydrophobicContact CD2-CG2 4.18Å; L62-V67 PolarHBondContact O-N 2.85Å; V67-H71 HydrophobicContact CG1-CB 4.04Å; V67-V74 HydrophobicContact CB-CG1 4.48Å; V67-V74 HydrophobicContact CG1-CB 3.72Å; V67-V74 HydrophobicContact CG1-CG1 3.82Å; V67-V74 HydrophobicContact CG2-CG1 3.74Å; V67-K75 HydrophobicContact CB-CG 4.07Å; V67-K75 HydrophobicContact CG1-CG 3.76Å; V67-K75 VanDerWaalsContact O-CE 3.3Å; V67-K75 WeakPolarHBondContact O-CE 3.43Å; V67-N147 PolarHBondContact O-ND2 2.66Å; V67-N147 PolarHBondContact O-OD1 3.21Å; V67-I424 HydrophobicContact CG2-CD1 4.09Å |
| 68 | A | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | trans | -59.3 | 141.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D70 H71 D175 | A68-D70 WeakPolarHBondContact CB-OD1 3.29Å; A68-D70 PolarHBondContact O-N 2.95Å; A68-D70 VanDerWaalsContact O-N 3.16Å; A68-H71 PolarHBondContact O-N 2.97Å; A68-D175 HydrophobicContact CB-CB 4.3Å | ||
| 69 | P | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.5 | -179.2 | -28.2 | 35.6 | 0 | 0 | 0 | 114.9 | H71 Y146 T190 D191 I192 | P69-H71 PolarHBondContact O-N 3.09Å; P69-Y146 HydrophobicContact CG-CD2 3.82Å; P69-Y146 HydrophobicContact CG-CE2 4.35Å; P69-T190 HydrophobicContact CB-CG2 4.42Å; P69-T190 WeakPolarHBondContact O-CB 3.11Å; P69-D191 WeakPolarHBondContact CA-OD1 3.37Å; P69-D191 WeakPolarHBondContact CB-OD1 3.35Å; P69-I192 HydrophobicContact CB-CD1 3.94Å; P69-I192 HydrophobicContact CB-CG1 3.47Å; P69-I192 VanDerWaalsContact CB-CG1 3.47Å; P69-I192 HydrophobicContact CG-CD1 4Å; P69-I192 HydrophobicContact CG-CG1 3.42Å; P69-I192 VanDerWaalsContact CG-CG1 3.42Å |
| 70 | D | 93 | Very high | 95.3 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 8.1 | 176.9 | 73.1 | -36.9 | 0 | 0 | 0 | 114.1 | A68 P72 R178 R186 T190 | A68-D70 WeakPolarHBondContact CB-OD1 3.29Å; A68-D70 PolarHBondContact O-N 2.95Å; A68-D70 VanDerWaalsContact O-N 3.16Å; D70-P72 WeakPolarHBondContact O-CD 3.29Å; D70-R178 IonicContact OD1-CZ 2.74Å; D70-R178 IonicContact OD1-NE 2.69Å; D70-R178 PolarHBondContact OD1-NE 3.49Å; D70-R178 IonicContact OD1-NH2 2.71Å; D70-R178 PolarHBondContact OD1-NH2 3.11Å; D70-R178 WeakPolarHBondContact OD2-CD 3.29Å; D70-R178 IonicContact OD2-CZ 3.76Å; D70-R178 IonicContact OD2-NE 2.73Å; D70-R178 PolarHBondContact OD2-NE 3.07Å; D70-R178 IonicContact OD2-NH2 2.73Å; D70-R186 IonicContact OD2-CZ 2.69Å; D70-R186 IonicContact OD2-NH1 3.06Å; D70-R186 IonicContact OD2-NH2 3.31Å; D70-R186 PolarHBondContact OD2-NH2 3.41Å; D70-T190 HydrophobicContact CB-CG2 4.46Å |
| 71 | H | 92.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.046 | 19% | 0.193 | C | C | . | . | trans | -118.3 | 57.7 | 170 | -63 | 126.6 | 0 | 0 | 0 | 112.9 | V67 A68 P69 E73 V74 D175 R178 E225 E228 | V67-H71 HydrophobicContact CG1-CB 4.04Å; A68-H71 PolarHBondContact O-N 2.97Å; P69-H71 PolarHBondContact O-N 3.09Å; H71-E73 VanDerWaalsContact CA-OE2 3.29Å; H71-E73 WeakPolarHBondContact CA-OE2 3.36Å; H71-E73 IonicContact CD2-OE1 2.96Å; H71-E73 PolarHBondContact O-N 3.3Å; H71-E73 VanDerWaalsContact O-N 3.14Å; H71-V74 HydrophobicContact CB-CB 4.36Å; H71-V74 HydrophobicContact CB-CG2 4.07Å; H71-V74 PolarHBondContact O-N 3.48Å; H71-V74 VanDerWaalsContact O-N 3.11Å; H71-D175 IonicContact CE1-OD1 3.15Å; H71-R178 VanDerWaalsContact CE1-CZ 3.41Å; H71-R178 PolarHBondContact CE1-NH2 3.45Å; H71-R178 PolarHBondContact ND1-NH2 2.93Å; H71-E225 IonicContact CE1-OE2 2.6Å; H71-E225 PolarHBondContact CE1-OE2 3.46Å; H71-E225 IonicContact NE2-OE2 2.72Å; H71-E228 IonicContact CD2-OE2 2.71Å; H71-E228 IonicContact CE1-OE2 2.71Å; H71-E228 IonicContact NE2-OE1 3.66Å; H71-E228 IonicContact NE2-OE2 3.32Å; H71-E228 PolarHBondContact NE2-OE2 3.39Å | ||
| 72 | P | 92.5 | Very high | 95.4 | Very high | 74 Ų | 74 | 34.3 Ų | 34.3 | 48% | 0.481 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -27.9 | -178.3 | 27.1 | -35.6 | 0 | 0 | 0 | 112.4 | D70 V74 K75 N76 | D70-P72 WeakPolarHBondContact O-CD 3.29Å; P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 2.68Å; P72-K75 WeakPolarHBondContact O-CB 3.38Å; P72-K75 PolarHBondContact O-N 3.06Å; P72-N76 PolarHBondContact O-N 3.16Å |
| 73 | E | 94.2 | Very high | 95.5 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 43% | 0.425 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -30.3 | 179.4 | 79.9 | -70.2 | 173.8 | 0 | 0 | 113.1 | H71 K75 N76 K224 | H71-E73 VanDerWaalsContact CA-OE2 3.29Å; H71-E73 WeakPolarHBondContact CA-OE2 3.36Å; H71-E73 IonicContact CD2-OE1 2.96Å; H71-E73 PolarHBondContact O-N 3.3Å; H71-E73 VanDerWaalsContact O-N 3.14Å; E73-K75 VanDerWaalsContact C-N 3.3Å; E73-N76 WeakPolarHBondContact O-CB 3.47Å; E73-N76 PolarHBondContact O-N 3.27Å; E73-K224 IonicContact OE1-NZ 3.25Å; E73-K224 PolarHBondContact OE1-NZ 3.37Å |
| 74 | V | 93.3 | Very high | 95.6 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.7 | -30.1 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | V67 H71 P72 N76 V77 I424 | V67-V74 HydrophobicContact CB-CG1 4.48Å; V67-V74 HydrophobicContact CG1-CB 3.72Å; V67-V74 HydrophobicContact CG1-CG1 3.82Å; V67-V74 HydrophobicContact CG2-CG1 3.74Å; H71-V74 HydrophobicContact CB-CB 4.36Å; H71-V74 HydrophobicContact CB-CG2 4.07Å; H71-V74 PolarHBondContact O-N 3.48Å; H71-V74 VanDerWaalsContact O-N 3.11Å; P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 2.68Å; V74-N76 VanDerWaalsContact C-N 3.26Å; V74-N76 PolarHBondContact O-N 2.8Å; V74-V77 WeakPolarHBondContact O-CG1 3.17Å; V74-I424 HydrophobicContact CG1-CD1 3.63Å |
| 75 | K | 95.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.9 | -18.8 | 176.4 | -58.9 | -172.2 | 173.9 | 176.9 | 0 | 113.1 | V63 V67 P72 E73 V77 M78 N147 D191 | V63-K75 HydrophobicContact CG1-CB 4.3Å; V63-K75 HydrophobicContact CG1-CG 4.5Å; V67-K75 HydrophobicContact CB-CG 4.07Å; V67-K75 HydrophobicContact CG1-CG 3.76Å; V67-K75 VanDerWaalsContact O-CE 3.3Å; V67-K75 WeakPolarHBondContact O-CE 3.43Å; P72-K75 WeakPolarHBondContact O-CB 3.38Å; P72-K75 PolarHBondContact O-N 3.06Å; E73-K75 VanDerWaalsContact C-N 3.3Å; K75-V77 PolarHBondContact O-N 3.49Å; K75-M78 VanDerWaalsContact O-CB 3.3Å; K75-M78 WeakPolarHBondContact O-CB 3.13Å; K75-M78 WeakPolarHBondContact O-CG 3.27Å; K75-M78 PolarHBondContact O-N 2.87Å; K75-N147 PolarHBondContact NZ-OD1 2.79Å; K75-D191 IonicContact NZ-OD1 2.98Å; K75-D191 PolarHBondContact NZ-OD1 3.14Å; K75-D191 IonicContact NZ-OD2 3.35Å; K75-D191 PolarHBondContact NZ-OD2 2.91Å |
| 76 | N | 94.6 | Very high | 95.7 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 52% | 0.519 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.2 | -179.7 | -72.1 | -21 | 0 | 0 | 0 | 114.7 | P72 E73 V74 M78 N79 | P72-N76 PolarHBondContact O-N 3.16Å; E73-N76 WeakPolarHBondContact O-CB 3.47Å; E73-N76 PolarHBondContact O-N 3.27Å; V74-N76 VanDerWaalsContact C-N 3.26Å; V74-N76 PolarHBondContact O-N 2.8Å; N76-M78 PolarHBondContact O-N 3.37Å; N76-M78 VanDerWaalsContact O-N 3.12Å; N76-N79 WeakPolarHBondContact O-CB 3.42Å; N76-N79 PolarHBondContact O-N 2.83Å; N76-N79 PolarHBondContact O-ND2 2.63Å |
| 77 | V | 95.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -22.9 | 173.3 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | Y36 V63 V74 K75 N79 T80 F81 | Y36-V77 VanDerWaalsContact OH-CG2 3.24Å; Y36-V77 WeakPolarHBondContact OH-CG2 3.27Å; V63-V77 HydrophobicContact CB-CG1 4.3Å; V63-V77 HydrophobicContact CG1-CG1 3.58Å; V63-V77 HydrophobicContact CG2-CG1 3.73Å; V74-V77 WeakPolarHBondContact O-CG1 3.17Å; K75-V77 PolarHBondContact O-N 3.49Å; V77-N79 PolarHBondContact O-N 2.82Å; V77-N79 VanDerWaalsContact O-N 3.16Å; V77-T80 WeakPolarHBondContact O-CB 3.37Å; V77-T80 PolarHBondContact O-N 2.86Å; V77-F81 HydrophobicContact CG1-CE2 3.99Å; V77-F81 HydrophobicContact CG1-CZ 4.32Å; V77-F81 HydrophobicContact CG2-CD1 4.3Å; V77-F81 HydrophobicContact CG2-CE1 3.7Å; V77-F81 HydrophobicContact CG2-CE2 3.96Å; V77-F81 HydrophobicContact CG2-CZ 3.51Å; V77-F81 PolarHBondContact O-N 3.4Å; V77-F81 VanDerWaalsContact O-N 3.11Å |
| 78 | M | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.8 | -28.2 | 171.9 | -73.7 | 173.6 | 45.5 | 0 | 0 | 113.1 | F60 V63 R64 K75 N76 F81 T82 | F60-M78 HydrophobicContact CB-CG 3.99Å; F60-M78 HydrophobicContact CB-SD 4.33Å; F60-M78 HydrophobicContact CD1-CG 4.36Å; F60-M78 HydrophobicContact CD2-CB 4.45Å; F60-M78 HydrophobicContact CD2-CE 3.47Å; F60-M78 VanDerWaalsContact CD2-CE 3.47Å; F60-M78 HydrophobicContact CD2-CG 3.89Å; F60-M78 HydrophobicContact CD2-SD 4.03Å; F60-M78 HydrophobicContact CE2-CE 3.74Å; F60-M78 HydrophobicContact CE2-CG 4.43Å; F60-M78 HydrophobicContact CG-CE 4.35Å; F60-M78 HydrophobicContact CG-CG 3.82Å; F60-M78 HydrophobicContact CG-SD 4.37Å; V63-M78 HydrophobicContact CB-CG 4.28Å; V63-M78 HydrophobicContact CG1-CG 3.66Å; V63-M78 HydrophobicContact CG1-SD 4.02Å; R64-M78 HydrophobicContact CB-SD 4.44Å; K75-M78 VanDerWaalsContact O-CB 3.3Å; K75-M78 WeakPolarHBondContact O-CB 3.13Å; K75-M78 WeakPolarHBondContact O-CG 3.27Å; K75-M78 PolarHBondContact O-N 2.87Å; N76-M78 PolarHBondContact O-N 3.37Å; N76-M78 VanDerWaalsContact O-N 3.12Å; M78-F81 PolarHBondContact O-N 3.03Å; M78-T82 WeakPolarHBondContact O-CB 3.37Å; M78-T82 PolarHBondContact O-N 3.37Å; M78-T82 PolarHBondContact O-OG1 2.91Å |
| 79 | N | 96.4 | Very high | 96 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 57% | 0.572 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.3 | -46.9 | 175.7 | -64.3 | -27.2 | 0 | 0 | 0 | 110.4 | N76 V77 F81 T82 E83 | N76-N79 WeakPolarHBondContact O-CB 3.42Å; N76-N79 PolarHBondContact O-N 2.83Å; N76-N79 PolarHBondContact O-ND2 2.63Å; V77-N79 PolarHBondContact O-N 2.82Å; V77-N79 VanDerWaalsContact O-N 3.16Å; N79-F81 VanDerWaalsContact C-N 3.31Å; N79-F81 PolarHBondContact O-N 3.27Å; N79-T82 WeakPolarHBondContact O-CB 3.42Å; N79-T82 PolarHBondContact O-N 2.91Å; N79-E83 PolarHBondContact O-N 3.38Å; N79-E83 VanDerWaalsContact O-N 3.14Å |
| 80 | T | 96.6 | Very high | 96.1 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 37% | 0.368 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | Q39 V77 E83 V84 | Q39-T80 VanDerWaalsContact NE2-CG2 3.28Å; V77-T80 WeakPolarHBondContact O-CB 3.37Å; V77-T80 PolarHBondContact O-N 2.86Å; T80-E83 PolarHBondContact O-N 3.44Å; T80-V84 WeakPolarHBondContact O-CG2 3.49Å; T80-V84 PolarHBondContact O-N 3.37Å |
| 81 | F | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.5 | -34.5 | 178.9 | -62.5 | -14.4 | 0 | 0 | 0 | 112.6 | P32 F35 Y36 F60 V63 V77 M78 N79 E83 V84 A85 | P32-F81 HydrophobicContact CB-CE2 4.31Å; P32-F81 HydrophobicContact CB-CZ 4.09Å; P32-F81 HydrophobicContact CG-CE2 4.34Å; F35-F81 HydrophobicContact CB-CB 4.17Å; F35-F81 HydrophobicContact CB-CD1 3.35Å; F35-F81 HydrophobicContact CB-CD2 3.99Å; F35-F81 HydrophobicContact CB-CE1 3.57Å; F35-F81 HydrophobicContact CB-CE2 4.18Å; F35-F81 HydrophobicContact CB-CG 3.58Å; F35-F81 HydrophobicContact CB-CZ 3.98Å; F35-F81 HydrophobicContact CD1-CB 3.66Å; F35-F81 HydrophobicContact CD1-CD1 4.33Å; F35-F81 HydrophobicContact CD1-CG 4.06Å; F35-F81 HydrophobicContact CD2-CB 4.09Å; F35-F81 AromaticContact CD2-CD2 3.95Å; F35-F81 HydrophobicContact CD2-CD2 3.95Å; F35-F81 HydrophobicContact CD2-CG 4.01Å; F35-F81 HydrophobicContact CE1-CB 4Å; F35-F81 WeakPolarHBondContact CE1-O 3.33Å; F35-F81 HydrophobicContact CE2-CB 4.39Å; F35-F81 HydrophobicContact CG-CB 3.7Å; F35-F81 AromaticContact CG-CD1 3.91Å; F35-F81 HydrophobicContact CG-CD1 3.91Å; F35-F81 HydrophobicContact CG-CD2 4.01Å; F35-F81 AromaticContact CG-CG 3.62Å; F35-F81 HydrophobicContact CG-CG 3.62Å; F35-F81 HydrophobicContact CZ-CB 4.35Å; Y36-F81 HydrophobicContact CD1-CE1 4.09Å; Y36-F81 HydrophobicContact CD2-CE1 4.21Å; Y36-F81 HydrophobicContact CD2-CZ 4.06Å; Y36-F81 AromaticContact CE1-CE1 3.92Å; Y36-F81 HydrophobicContact CE1-CE1 3.92Å; Y36-F81 HydrophobicContact CE1-CZ 4.42Å; Y36-F81 HydrophobicContact CE2-CE1 4.04Å; Y36-F81 AromaticContact CE2-CZ 3.73Å; Y36-F81 HydrophobicContact CE2-CZ 3.73Å; Y36-F81 HydrophobicContact CG-CE1 4.23Å; Y36-F81 AromaticContact CZ-CE1 3.9Å; Y36-F81 AromaticContact CZ-CZ 3.95Å; F60-F81 HydrophobicContact CD1-CB 3.73Å; F60-F81 HydrophobicContact CD1-CD2 4.01Å; F60-F81 HydrophobicContact CD1-CG 4.4Å; F60-F81 HydrophobicContact CE1-CB 3.55Å; V63-F81 HydrophobicContact CG2-CE2 4.04Å; V77-F81 HydrophobicContact CG1-CE2 3.99Å; V77-F81 HydrophobicContact CG1-CZ 4.32Å; V77-F81 HydrophobicContact CG2-CD1 4.3Å; V77-F81 HydrophobicContact CG2-CE1 3.7Å; V77-F81 HydrophobicContact CG2-CE2 3.96Å; V77-F81 HydrophobicContact CG2-CZ 3.51Å; V77-F81 PolarHBondContact O-N 3.4Å; V77-F81 VanDerWaalsContact O-N 3.11Å; M78-F81 PolarHBondContact O-N 3.03Å; N79-F81 VanDerWaalsContact C-N 3.31Å; N79-F81 PolarHBondContact O-N 3.27Å; F81-E83 VanDerWaalsContact C-N 3.34Å; F81-V84 WeakPolarHBondContact O-CB 3.41Å; F81-V84 PolarHBondContact O-N 2.74Å; F81-A85 PolarHBondContact O-N 2.82Å |
| 82 | T | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 172.6 | -61 | 0 | 0 | 0 | 0 | 111.2 | F60 M78 N79 V84 A85 K86 F476 | F60-T82 WeakPolarHBondContact CZ-OG1 3.45Å; M78-T82 WeakPolarHBondContact O-CB 3.37Å; M78-T82 PolarHBondContact O-N 3.37Å; M78-T82 PolarHBondContact O-OG1 2.91Å; N79-T82 WeakPolarHBondContact O-CB 3.42Å; N79-T82 PolarHBondContact O-N 2.91Å; T82-V84 VanDerWaalsContact C-N 3.3Å; T82-V84 PolarHBondContact O-N 2.94Å; T82-A85 PolarHBondContact O-N 2.87Å; T82-A85 VanDerWaalsContact O-N 3.13Å; T82-K86 HydrophobicContact CG2-CD 4.48Å; T82-K86 WeakPolarHBondContact O-CG 3.39Å; T82-K86 PolarHBondContact O-N 2.93Å; T82-K86 VanDerWaalsContact O-N 3.08Å; T82-F476 HydrophobicContact CG2-CE1 4.33Å; T82-F476 HydrophobicContact CG2-CZ 4.13Å |
| 83 | E | 98 | Very high | 97 | Very high | 117 Ų | 117 | 49.1 Ų | 49.1 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 176.2 | -66.2 | -53.1 | 116.6 | 0 | 0 | 112.8 | N79 T80 F81 K86 | N79-E83 PolarHBondContact O-N 3.38Å; N79-E83 VanDerWaalsContact O-N 3.14Å; T80-E83 PolarHBondContact O-N 3.44Å; F81-E83 VanDerWaalsContact C-N 3.34Å; E83-K86 IonicContact OE1-NZ 2.72Å; E83-K86 PolarHBondContact OE1-NZ 2.78Å |
| 84 | V | 98.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 170.6 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | F35 A38 Q39 L42 T80 F81 T82 K86 N87 F90 | F35-V84 HydrophobicContact CD1-CB 4.13Å; F35-V84 HydrophobicContact CD1-CG1 4.08Å; A38-V84 HydrophobicContact CB-CG1 4.08Å; Q39-V84 HydrophobicContact CB-CG2 3.78Å; Q39-V84 HydrophobicContact CG-CG2 3.97Å; L42-V84 HydrophobicContact CD1-CG1 4.01Å; T80-V84 WeakPolarHBondContact O-CG2 3.49Å; T80-V84 PolarHBondContact O-N 3.37Å; F81-V84 WeakPolarHBondContact O-CB 3.41Å; F81-V84 PolarHBondContact O-N 2.74Å; T82-V84 VanDerWaalsContact C-N 3.3Å; T82-V84 PolarHBondContact O-N 2.94Å; V84-K86 PolarHBondContact O-N 3.17Å; V84-N87 VanDerWaalsContact O-CB 3.23Å; V84-N87 WeakPolarHBondContact O-CB 3.48Å; V84-N87 PolarHBondContact O-N 2.8Å; V84-N87 VanDerWaalsContact O-N 3.09Å; V84-F90 HydrophobicContact CG1-CD2 4.31Å; V84-F90 HydrophobicContact CG1-CE2 4.33Å |
| 85 | A | 98.1 | Very high | 97.4 | Very high | 8 Ų | 8 | 44 Ų | 44 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -22.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F35 F81 T82 N87 F90 F476 | F35-A85 HydrophobicContact CE1-CB 4.2Å; F81-A85 PolarHBondContact O-N 2.82Å; T82-A85 PolarHBondContact O-N 2.87Å; T82-A85 VanDerWaalsContact O-N 3.13Å; A85-N87 VanDerWaalsContact C-N 3.32Å; A85-F90 HydrophobicContact CB-CD1 4.27Å; A85-F90 HydrophobicContact CB-CE1 3.99Å; A85-F476 HydrophobicContact CB-CD1 4.17Å; A85-F476 HydrophobicContact CB-CD2 3.56Å; A85-F476 HydrophobicContact CB-CE1 3.92Å; A85-F476 HydrophobicContact CB-CE2 3.26Å; A85-F476 HydrophobicContact CB-CG 4Å; A85-F476 HydrophobicContact CB-CZ 3.47Å; A85-F476 VanDerWaalsContact CB-CZ 3.47Å |
| 86 | K | 97.2 | Very high | 97.6 | Very high | 113 Ų | 113 | 43 Ų | 43 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.6 | 174.5 | -70.7 | 173.2 | -176.9 | 166.9 | 0 | 113.8 | T82 E83 V84 T88 | T82-K86 HydrophobicContact CG2-CD 4.48Å; T82-K86 WeakPolarHBondContact O-CG 3.39Å; T82-K86 PolarHBondContact O-N 2.93Å; T82-K86 VanDerWaalsContact O-N 3.08Å; E83-K86 IonicContact OE1-NZ 2.72Å; E83-K86 PolarHBondContact OE1-NZ 2.78Å; V84-K86 PolarHBondContact O-N 3.17Å; K86-T88 PolarHBondContact O-N 3.48Å |
| 87 | N | 97.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | trans | -62.7 | 135.9 | 178.1 | -163.9 | -70.1 | 0 | 0 | 0 | 110.4 | L42 V84 A85 R89 F90 | L42-N87 HydrophobicContact CD1-CB 4.17Å; V84-N87 VanDerWaalsContact O-CB 3.23Å; V84-N87 WeakPolarHBondContact O-CB 3.48Å; V84-N87 PolarHBondContact O-N 2.8Å; V84-N87 VanDerWaalsContact O-N 3.09Å; A85-N87 VanDerWaalsContact C-N 3.32Å; N87-R89 PolarHBondContact O-N 2.69Å; N87-R89 VanDerWaalsContact O-N 3.16Å; N87-R89 PolarHBondContact OD1-N 3.24Å; N87-F90 HydrophobicContact CB-CB 4.03Å; N87-F90 WeakPolarHBondContact O-CB 3.38Å; N87-F90 PolarHBondContact O-N 3.06Å | ||
| 88 | T | 97.1 | Very high | 97.9 | Very high | 135 Ų | 135 | 38.7 Ų | 38.7 | 83% | 0.828 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.4 | -179 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | K86 F90 | K86-T88 PolarHBondContact O-N 3.48Å; T88-F90 VanDerWaalsContact C-N 3.32Å |
| 89 | R | 97.7 | Very high | 97.9 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 23.1 | 176.6 | -59.4 | 175.7 | -63.7 | 144.7 | 6 | 112.6 | L42 H45 P46 V48 H49 I50 N87 | L42-R89 HydrophobicContact CD2-CB 3.88Å; L42-R89 PolarHBondContact O-NH2 3.49Å; H45-R89 PolarHBondContact O-NH1 3.23Å; P46-R89 VanDerWaalsContact CA-NH1 3.31Å; P46-R89 PolarHBondContact O-NH1 3.34Å; V48-R89 WeakPolarHBondContact O-CB 3.41Å; H49-R89 WeakPolarHBondContact CA-O 3.38Å; H49-R89 WeakPolarHBondContact ND1-CA 3.23Å; H49-R89 PolarHBondContact ND1-O 2.82Å; I50-R89 PolarHBondContact N-O 2.79Å; N87-R89 PolarHBondContact O-N 2.69Å; N87-R89 VanDerWaalsContact O-N 3.16Å; N87-R89 PolarHBondContact OD1-N 3.24Å |
| 90 | F | 98.6 | Very high | 97.9 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 133 | -179 | -176.6 | -83.8 | 0 | 0 | 0 | 110.7 | F35 A38 L42 I50 M52 V84 A85 N87 T88 F92 | F35-F90 HydrophobicContact CE1-CZ 4.03Å; A38-F90 HydrophobicContact CB-CD2 4.33Å; A38-F90 HydrophobicContact CB-CE2 3.92Å; L42-F90 HydrophobicContact CD1-CB 4.28Å; L42-F90 HydrophobicContact CD1-CD2 4.19Å; I50-F90 HydrophobicContact CB-CD2 3.98Å; I50-F90 HydrophobicContact CG2-CD2 3.97Å; I50-F90 HydrophobicContact CG2-CE2 4.02Å; I50-F90 CarbonylContact O-C 3.54Å; I50-F90 WeakPolarHBondContact O-CA 3.42Å; M52-F90 HydrophobicContact CB-CE2 4.05Å; M52-F90 HydrophobicContact CB-CZ 3.66Å; M52-F90 HydrophobicContact CE-CE2 3.75Å; M52-F90 HydrophobicContact CE-CZ 3.74Å; M52-F90 HydrophobicContact CG-CZ 4.37Å; M52-F90 HydrophobicContact SD-CE2 4.46Å; M52-F90 HydrophobicContact SD-CZ 3.86Å; V84-F90 HydrophobicContact CG1-CD2 4.31Å; V84-F90 HydrophobicContact CG1-CE2 4.33Å; A85-F90 HydrophobicContact CB-CD1 4.27Å; A85-F90 HydrophobicContact CB-CE1 3.99Å; N87-F90 HydrophobicContact CB-CB 4.03Å; N87-F90 WeakPolarHBondContact O-CB 3.38Å; N87-F90 PolarHBondContact O-N 3.06Å; T88-F90 VanDerWaalsContact C-N 3.32Å; F90-F92 HydrophobicContact CE1-CB 4.09Å |
| 91 | S | 98.5 | Very high | 98 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.3 | 169.6 | -37.4 | 0 | 0 | 0 | 0 | 110.7 | H49 I50 D51 M52 | H49-S91 PolarHBondContact NE2-OG 3.27Å; I50-S91 PolarHBondContact O-N 2.93Å; D51-S91 WeakPolarHBondContact OD1-CB 3.25Å; D51-S91 PolarHBondContact OD1-OG 3.05Å; M52-S91 PolarHBondContact N-O 3.27Å |
| 92 | F | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.022 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.3 | 165 | 175.4 | -104.6 | 0 | 0 | 0 | 110.6 | E54 P59 F90 F476 | E54-F92 HydrophobicContact CB-CE2 3.48Å; E54-F92 VanDerWaalsContact CB-CE2 3.48Å; E54-F92 HydrophobicContact CB-CZ 3.73Å; E54-F92 HydrophobicContact CG-CE2 4.12Å; E54-F92 HydrophobicContact CG-CZ 4.08Å; P59-F92 HydrophobicContact CB-CD2 4.07Å; P59-F92 HydrophobicContact CB-CE1 4.4Å; P59-F92 HydrophobicContact CB-CE2 3.58Å; P59-F92 HydrophobicContact CB-CZ 3.76Å; P59-F92 HydrophobicContact CG-CE2 4.5Å; P59-F92 HydrophobicContact CG-CZ 4.29Å; F90-F92 HydrophobicContact CE1-CB 4.09Å; F92-F476 HydrophobicContact CB-CB 4.03Å; F92-F476 HydrophobicContact CB-CD2 4.02Å; F92-F476 HydrophobicContact CD1-CD2 4.35Å; F92-F476 HydrophobicContact CG-CD2 4.27Å |
| 93 | L | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 84.4 | 178.2 | -56.6 | 110.3 | 0 | 0 | 0 | 109.8 | D51 M52 F53 E54 L459 V473 | D51-L93 HydrophobicContact CB-CD1 3.68Å; M52-L93 PolarHBondContact O-N 3.15Å; F53-L93 WeakPolarHBondContact CA-O 3.31Å; F53-L93 HydrophobicContact CD1-CB 3.87Å; F53-L93 HydrophobicContact CD1-CD1 4.4Å; F53-L93 HydrophobicContact CE1-CB 4.01Å; F53-L93 HydrophobicContact CE1-CD1 4.07Å; F53-L93 HydrophobicContact CE1-CD2 4.07Å; F53-L93 HydrophobicContact CE1-CG 4.27Å; F53-L93 HydrophobicContact CE2-CD1 4.22Å; F53-L93 HydrophobicContact CZ-CD1 3.97Å; F53-L93 HydrophobicContact CZ-CD2 4.4Å; E54-L93 PolarHBondContact N-O 2.85Å; L93-L459 HydrophobicContact CD2-CD1 3.35Å; L93-L459 HydrophobicContact CD2-CD2 4.16Å; L93-L459 HydrophobicContact CD2-CG 4.41Å; L93-V473 HydrophobicContact CB-CG1 4.04Å; L93-V473 HydrophobicContact CD2-CG1 4.07Å; L93-V473 HydrophobicContact CG-CG1 4.41Å |
| 94 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 165.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E54 L56 V96 V474 | E54-G94 CarbonylContact O-C 3.12Å; E54-G94 WeakPolarHBondContact O-CA 2.99Å; L56-G94 CarbonylContact O-C 3.25Å; L56-G94 WeakPolarHBondContact O-CA 3.48Å; G94-V96 VanDerWaalsContact C-N 3.3Å; G94-V96 PolarHBondContact O-N 2.91Å; G94-V474 PolarHBondContact N-O 2.87Å; G94-V474 PolarHBondContact O-N 3.49Å |
| 95 | N | 98 | Very high | 97.7 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 15% | 0.15 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 60.1 | 35.3 | -175.8 | -165.2 | 50.3 | 0 | 0 | 0 | 113.5 | E54 K55 L56 P57 H472 V474 L507 | E54-N95 PolarHBondContact O-N 3.28Å; K55-N95 WeakPolarHBondContact O-CA 3.36Å; L56-N95 PolarHBondContact O-N 3.24Å; P57-N95 HydrophobicContact CG-CB 4.27Å; N95-H472 PolarHBondContact ND2-O 3.29Å; N95-V474 HydrophobicContact CB-CB 4.47Å; N95-V474 HydrophobicContact CB-CG2 3.87Å; N95-L507 HydrophobicContact CB-CD2 4.36Å |
| 96 | V | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | trans | -126.2 | 114.2 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 110 | F53 E54 K55 G94 I98 D101 I102 L466 V471 V473 | F53-V96 HydrophobicContact CD1-CB 4.03Å; F53-V96 HydrophobicContact CD1-CG1 3.76Å; F53-V96 HydrophobicContact CD1-CG2 4.45Å; F53-V96 HydrophobicContact CE1-CG1 4.25Å; E54-V96 CarbonylContact C-O 3.57Å; E54-V96 PolarHBondContact O-N 3.34Å; K55-V96 WeakPolarHBondContact CA-O 2.91Å; G94-V96 VanDerWaalsContact C-N 3.3Å; G94-V96 PolarHBondContact O-N 2.91Å; V96-I98 HydrophobicContact CG1-CD1 4.25Å; V96-I98 PolarHBondContact O-N 3.27Å; V96-D101 HydrophobicContact CG1-CB 4.36Å; V96-I102 HydrophobicContact CG1-CG1 4.25Å; V96-L466 HydrophobicContact CG1-CD2 3.86Å; V96-L466 HydrophobicContact CG2-CD2 4.25Å; V96-V471 HydrophobicContact CG2-CG1 4.23Å; V96-V473 HydrophobicContact CG2-CG1 4.38Å; V96-V473 HydrophobicContact CG2-CG2 4.08Å | ||
| 97 | C | 97.7 | Very high | 97.6 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 9% | 0.088 | 16% | 0.158 | C | C | . | . | trans | -90.6 | 101 | 177.8 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | K55 R100 D101 | K55-C97 VanDerWaalsContact CG-SG 3.51Å; C97-R100 HydrophobicContact CB-CB 3.99Å; C97-R100 PolarHBondContact O-N 2.83Å; C97-R100 VanDerWaalsContact O-N 3.1Å; C97-R100 VanDerWaalsContact SG-CZ 3.54Å; C97-R100 PolarHBondContact SG-NH2 2.95Å; C97-D101 WeakPolarHBondContact CA-OD2 3.28Å; C97-D101 VanDerWaalsContact CB-OD2 3.26Å; C97-D101 WeakPolarHBondContact CB-OD2 3.37Å; C97-D101 PolarHBondContact N-OD2 2.87Å; C97-D101 WeakPolarHBondContact O-CB 3.39Å; C97-D101 PolarHBondContact O-N 3.06Å | ||
| 98 | I | 98.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 8% | 0.077 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 138.6 | 168.5 | -53.8 | -53.5 | 0 | 0 | 0 | 110.1 | V28 F53 V96 R100 I102 L107 W116 I373 | V28-I98 HydrophobicContact CB-CG1 4.43Å; V28-I98 HydrophobicContact CG1-CB 3.88Å; V28-I98 HydrophobicContact CG1-CG1 3.67Å; V28-I98 HydrophobicContact CG1-CG2 4.33Å; V28-I98 HydrophobicContact CG2-CG1 3.96Å; V28-I98 HydrophobicContact CG2-CG2 4.36Å; F53-I98 HydrophobicContact CB-CD1 4.04Å; F53-I98 HydrophobicContact CB-CG1 4.01Å; F53-I98 HydrophobicContact CD1-CD1 3.97Å; F53-I98 HydrophobicContact CD2-CD1 4.5Å; F53-I98 HydrophobicContact CG-CD1 3.9Å; F53-I98 HydrophobicContact CG-CG1 4.39Å; V96-I98 HydrophobicContact CG1-CD1 4.25Å; V96-I98 PolarHBondContact O-N 3.27Å; I98-R100 VanDerWaalsContact C-N 3.3Å; I98-I102 CarbonylContact C-O 3.59Å; I98-I102 WeakPolarHBondContact CA-O 3.49Å; I98-I102 HydrophobicContact CD1-CB 3.89Å; I98-I102 HydrophobicContact CD1-CG2 4.35Å; I98-L107 HydrophobicContact CD1-CD1 4.27Å; I98-L107 HydrophobicContact CD1-CD2 4.37Å; I98-L107 HydrophobicContact CG2-CD1 3.76Å; I98-W116 HydrophobicContact CG2-CH2 4.06Å; I98-W116 HydrophobicContact CG2-CZ3 3.82Å; I98-I373 HydrophobicContact CB-CD1 4.43Å; I98-I373 HydrophobicContact CG2-CD1 4.47Å |
| 99 | G | 97.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 11% | 0.113 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -20.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | I102 K103 I373 | G99-I102 PolarHBondContact N-O 3.45Å; G99-K103 WeakPolarHBondContact O-CE 3.28Å; G99-K103 PolarHBondContact O-NZ 3.4Å; G99-I373 VanDerWaalsContact CA-O 3.3Å; G99-I373 WeakPolarHBondContact CA-O 3.46Å |
| 100 | R | 96.9 | Very high | 97.1 | Very high | 154 Ų | 154 | 23.2 Ų | 23.2 | 58% | 0.581 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -62.9 | 174.2 | -174.7 | -171.1 | 71.5 | -170.1 | -1 | 111.3 | C97 I98 | C97-R100 HydrophobicContact CB-CB 3.99Å; C97-R100 PolarHBondContact O-N 2.83Å; C97-R100 VanDerWaalsContact O-N 3.1Å; C97-R100 VanDerWaalsContact SG-CZ 3.54Å; C97-R100 PolarHBondContact SG-NH2 2.95Å; I98-R100 VanDerWaalsContact C-N 3.3Å |
| 101 | D | 98 | Very high | 97.1 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 10% | 0.096 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -31.3 | -173.5 | -57.9 | -23.9 | 0 | 0 | 0 | 111.6 | V96 C97 R469 V471 | V96-D101 HydrophobicContact CG1-CB 4.36Å; C97-D101 WeakPolarHBondContact CA-OD2 3.28Å; C97-D101 VanDerWaalsContact CB-OD2 3.26Å; C97-D101 WeakPolarHBondContact CB-OD2 3.37Å; C97-D101 PolarHBondContact N-OD2 2.87Å; C97-D101 WeakPolarHBondContact O-CB 3.39Å; C97-D101 PolarHBondContact O-N 3.06Å; D101-R469 WeakPolarHBondContact O-CD 3.24Å; D101-R469 PolarHBondContact O-NH1 3.45Å; D101-V471 HydrophobicContact CB-CG2 4.04Å |
| 102 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -139 | 129.4 | 173.7 | -59.7 | -65.1 | 0 | 0 | 0 | 108.6 | V96 I98 G99 E106 L107 V462 Y465 L466 | V96-I102 HydrophobicContact CG1-CG1 4.25Å; I98-I102 CarbonylContact C-O 3.59Å; I98-I102 WeakPolarHBondContact CA-O 3.49Å; I98-I102 HydrophobicContact CD1-CB 3.89Å; I98-I102 HydrophobicContact CD1-CG2 4.35Å; G99-I102 PolarHBondContact N-O 3.45Å; I102-E106 WeakPolarHBondContact CA-OE2 3.28Å; I102-E106 HydrophobicContact CG2-CB 4.07Å; I102-L107 HydrophobicContact CG2-CD2 3.6Å; I102-L107 HydrophobicContact CG2-CG 3.87Å; I102-V462 HydrophobicContact CD1-CG1 3.73Å; I102-V462 HydrophobicContact CG1-CG1 3.85Å; I102-V462 HydrophobicContact CG2-CG1 4.4Å; I102-Y465 VanDerWaalsContact CD1-CB 3.49Å; I102-Y465 HydrophobicContact CD1-CG 4.39Å; I102-L466 HydrophobicContact CD1-CD2 3.78Å; I102-L466 HydrophobicContact CD1-CG 3.94Å; I102-L466 HydrophobicContact CG1-CD2 3.73Å; I102-L466 HydrophobicContact CG1-CG 4.29Å |
| 103 | K | 97.4 | Very high | 96.9 | Very high | 84 Ų | 84 | 20.8 Ų | 20.8 | 37% | 0.365 | 9% | 0.094 | S | C | . | . | trans | -88.7 | 156.8 | -179.2 | -56 | -61.3 | 180 | 170.1 | 0 | 111.3 | G99 R105 E106 L107 D374 | G99-K103 WeakPolarHBondContact O-CE 3.28Å; G99-K103 PolarHBondContact O-NZ 3.4Å; K103-R105 VanDerWaalsContact C-N 3.28Å; K103-R105 PolarHBondContact O-N 3.28Å; K103-E106 HydrophobicContact CB-CG 4.29Å; K103-E106 PolarHBondContact N-OE2 3.32Å; K103-E106 WeakPolarHBondContact O-CB 3.39Å; K103-E106 PolarHBondContact O-N 3.13Å; K103-L107 PolarHBondContact O-N 3.13Å; K103-L107 VanDerWaalsContact O-N 3.17Å; K103-D374 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 104 | L | 96.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.5 | -44.7 | 177.6 | 174.5 | 46.4 | 0 | 0 | 0 | 112.5 | E106 L107 Q108 I114 W116 D374 D376 L377 L398 M410 | L104-E106 PolarHBondContact O-N 2.87Å; L104-L107 WeakPolarHBondContact O-CA 3.29Å; L104-L107 WeakPolarHBondContact O-CB 3.36Å; L104-L107 PolarHBondContact O-N 2.92Å; L104-Q108 HydrophobicContact CD1-CG 4.14Å; L104-Q108 PolarHBondContact O-N 2.99Å; L104-I114 HydrophobicContact CD1-CD1 3.86Å; L104-W116 HydrophobicContact CD1-CH2 4.01Å; L104-W116 HydrophobicContact CD1-CZ2 3.45Å; L104-W116 VanDerWaalsContact CD1-CZ2 3.45Å; L104-W116 HydrophobicContact CD2-CZ2 4.04Å; L104-W116 HydrophobicContact CG-CZ2 4.23Å; L104-D374 HydrophobicContact CB-CB 4.23Å; L104-D374 PolarHBondContact N-OD2 3.46Å; L104-D376 HydrophobicContact CD2-CB 4.07Å; L104-L377 HydrophobicContact CD2-CB 4.46Å; L104-L377 HydrophobicContact CD2-CD1 4.35Å; L104-L398 HydrophobicContact CD2-CD1 3.97Å; L104-M410 HydrophobicContact CD1-SD 3.8Å; L104-M410 HydrophobicContact CD2-SD 4.06Å; L104-M410 HydrophobicContact CG-SD 4.49Å |
| 105 | R | 94.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 11% | 0.109 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.5 | -33.2 | 179.3 | -59.2 | -55.4 | -177.8 | 168 | 6.9 | 113.4 | K103 Q108 E109 D376 Y403 F405 | K103-R105 VanDerWaalsContact C-N 3.28Å; K103-R105 PolarHBondContact O-N 3.28Å; R105-Q108 VanDerWaalsContact CD-OE1 3.29Å; R105-Q108 PolarHBondContact O-N 3.35Å; R105-E109 PolarHBondContact O-N 3.29Å; R105-D376 WeakPolarHBondContact CG-OD2 3.35Å; R105-D376 IonicContact CZ-OD2 3.36Å; R105-D376 IonicContact NE-OD2 3.4Å; R105-D376 PolarHBondContact NE-OD2 2.93Å; R105-D376 IonicContact NH2-OD2 3.62Å; R105-Y403 HydrophobicContact CG-CE2 4.47Å; R105-F405 WeakPolarHBondContact O-CZ 3.29Å |
| 106 | E | 95.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 19.2 Ų | 19.2 | 11% | 0.112 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -73.5 | -34.2 | 177 | -60.6 | 167.4 | 163.3 | 0 | 0 | 111.3 | I102 K103 L104 Q108 E109 A110 Y465 R469 | I102-E106 WeakPolarHBondContact CA-OE2 3.28Å; I102-E106 HydrophobicContact CG2-CB 4.07Å; K103-E106 HydrophobicContact CB-CG 4.29Å; K103-E106 PolarHBondContact N-OE2 3.32Å; K103-E106 WeakPolarHBondContact O-CB 3.39Å; K103-E106 PolarHBondContact O-N 3.13Å; L104-E106 PolarHBondContact O-N 2.87Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-E109 PolarHBondContact O-N 3.04Å; E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 3.25Å; E106-Y465 HydrophobicContact CB-CD2 4.11Å; E106-Y465 HydrophobicContact CB-CE2 3.86Å; E106-Y465 HydrophobicContact CG-CD2 4.28Å; E106-Y465 HydrophobicContact CG-CE1 4.2Å; E106-Y465 HydrophobicContact CG-CE2 3.93Å; E106-R469 IonicContact OE1-CZ 3.73Å; E106-R469 IonicContact OE1-NH1 3.94Å; E106-R469 PolarHBondContact OE1-NH1 2.97Å; E106-R469 IonicContact OE1-NH2 3.5Å; E106-R469 PolarHBondContact OE1-NH2 2.84Å; E106-R469 IonicContact OE2-CZ 2.78Å; E106-R469 IonicContact OE2-NH1 2.76Å; E106-R469 PolarHBondContact OE2-NH1 3.35Å; E106-R469 IonicContact OE2-NH2 3.02Å |
| 107 | L | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 169.4 | -61.8 | 179.9 | 0 | 0 | 0 | 111.5 | V28 F53 I98 I102 K103 L104 A110 Y111 I114 W116 V462 | V28-L107 HydrophobicContact CG2-CD1 4.19Å; F53-L107 HydrophobicContact CE2-CD2 4.45Å; I98-L107 HydrophobicContact CD1-CD1 4.27Å; I98-L107 HydrophobicContact CD1-CD2 4.37Å; I98-L107 HydrophobicContact CG2-CD1 3.76Å; I102-L107 HydrophobicContact CG2-CD2 3.6Å; I102-L107 HydrophobicContact CG2-CG 3.87Å; K103-L107 PolarHBondContact O-N 3.13Å; K103-L107 VanDerWaalsContact O-N 3.17Å; L104-L107 WeakPolarHBondContact O-CA 3.29Å; L104-L107 WeakPolarHBondContact O-CB 3.36Å; L104-L107 PolarHBondContact O-N 2.92Å; L107-A110 PolarHBondContact O-N 3.25Å; L107-Y111 HydrophobicContact CB-CD2 4.36Å; L107-Y111 HydrophobicContact CD2-CD2 4.1Å; L107-Y111 HydrophobicContact CD2-CE2 3.81Å; L107-Y111 WeakPolarHBondContact O-CD2 3.5Å; L107-Y111 PolarHBondContact O-N 3.42Å; L107-I114 HydrophobicContact CB-CD1 3.64Å; L107-I114 HydrophobicContact CB-CG1 4.26Å; L107-W116 HydrophobicContact CD1-CH2 4.43Å; L107-V462 HydrophobicContact CD2-CG2 4.41Å |
| 108 | Q | 94.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.5 | -34.3 | 176.5 | -69.1 | -174.3 | -56.9 | 0 | 0 | 112.2 | L104 R105 E106 A110 I114 F405 S408 K456 | L104-Q108 HydrophobicContact CD1-CG 4.14Å; L104-Q108 PolarHBondContact O-N 2.99Å; R105-Q108 VanDerWaalsContact CD-OE1 3.29Å; R105-Q108 PolarHBondContact O-N 3.35Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-A110 VanDerWaalsContact C-N 3.3Å; Q108-I114 HydrophobicContact CB-CD1 4.45Å; Q108-I114 HydrophobicContact CG-CD1 3.64Å; Q108-F405 HydrophobicContact CB-CD2 4.48Å; Q108-F405 HydrophobicContact CB-CE2 3.76Å; Q108-S408 PolarHBondContact O-OG 2.74Å; Q108-S408 VanDerWaalsContact O-OG 3.1Å; Q108-K456 PolarHBondContact O-NZ 2.84Å |
| 109 | E | 93.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 20.6 Ų | 20.6 | 24% | 0.238 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | 169.6 | -174.1 | -176.5 | 155.2 | 0 | 0 | 111.1 | R105 E106 F405 K456 V461 R464 Y465 | R105-E109 PolarHBondContact O-N 3.29Å; E106-E109 PolarHBondContact O-N 3.04Å; E109-F405 HydrophobicContact CB-CD1 4.04Å; E109-F405 HydrophobicContact CB-CE1 3.96Å; E109-F405 HydrophobicContact CB-CE2 4.46Å; E109-F405 HydrophobicContact CB-CG 4.33Å; E109-F405 HydrophobicContact CB-CZ 4.19Å; E109-F405 HydrophobicContact CG-CD1 4.09Å; E109-F405 HydrophobicContact CG-CE1 4.38Å; E109-F405 HydrophobicContact CG-CG 4.49Å; E109-K456 VanDerWaalsContact O-CD 3.24Å; E109-K456 WeakPolarHBondContact O-CD 3.33Å; E109-V461 HydrophobicContact CG-CG1 4.1Å; E109-R464 IonicContact OE1-NH2 2.64Å; E109-R464 PolarHBondContact OE1-NH2 2.92Å; E109-Y465 PolarHBondContact OE2-OH 3.05Å |
| 110 | A | 95.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -84.7 | -35.8 | -170 | 0 | 0 | 0 | 0 | 0 | 115.5 | E106 L107 Q108 K456 R457 G458 V461 V462 | E106-A110 VanDerWaalsContact O-CB 3.3Å; E106-A110 WeakPolarHBondContact O-CB 3.42Å; E106-A110 PolarHBondContact O-N 3.25Å; L107-A110 PolarHBondContact O-N 3.25Å; Q108-A110 VanDerWaalsContact C-N 3.3Å; A110-K456 WeakPolarHBondContact O-CB 3.46Å; A110-R457 PolarHBondContact O-N 3.17Å; A110-G458 WeakPolarHBondContact O-CA 3.3Å; A110-G458 PolarHBondContact O-N 3.07Å; A110-V461 HydrophobicContact CB-CB 3.76Å; A110-V461 HydrophobicContact CB-CG1 3.86Å; A110-V462 HydrophobicContact CB-CG2 3.6Å |
| 111 | Y | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -121.3 | 151.2 | -166.3 | -65.4 | -79.9 | 0 | 0 | 0 | 113.6 | Q24 C26 D51 F53 L107 S408 V462 | Q24-Y111 HydrophobicContact CB-CD1 3.9Å; Q24-Y111 HydrophobicContact CB-CE1 4.48Å; C26-Y111 HydrophobicContact CB-CD1 3.75Å; C26-Y111 HydrophobicContact CB-CD2 3.42Å; C26-Y111 VanDerWaalsContact CB-CD2 3.42Å; C26-Y111 HydrophobicContact CB-CE1 4.05Å; C26-Y111 HydrophobicContact CB-CE2 3.7Å; C26-Y111 HydrophobicContact CB-CG 3.44Å; C26-Y111 VanDerWaalsContact CB-CG 3.44Å; D51-Y111 HydrophobicContact CB-CE1 3.87Å; D51-Y111 WeakPolarHBondContact CB-OH 3.32Å; D51-Y111 WeakPolarHBondContact OD2-CE1 3.32Å; D51-Y111 PolarHBondContact OD2-OH 2.69Å; F53-Y111 HydrophobicContact CE2-CE2 4.03Å; F53-Y111 AromaticContact CE2-CZ 3.9Å; F53-Y111 WeakPolarHBondContact CE2-OH 3.38Å; F53-Y111 HydrophobicContact CZ-CE2 4.36Å; F53-Y111 VanDerWaalsContact CZ-OH 3.31Å; F53-Y111 WeakPolarHBondContact CZ-OH 3.49Å; L107-Y111 HydrophobicContact CB-CD2 4.36Å; L107-Y111 HydrophobicContact CD2-CD2 4.1Å; L107-Y111 HydrophobicContact CD2-CE2 3.81Å; L107-Y111 WeakPolarHBondContact O-CD2 3.5Å; L107-Y111 PolarHBondContact O-N 3.42Å; Y111-S408 VanDerWaalsContact O-CB 3.3Å; Y111-S408 WeakPolarHBondContact O-CB 3.35Å; Y111-S408 PolarHBondContact O-OG 3.23Å; Y111-V462 HydrophobicContact CD2-CG2 4.49Å; Y111-V462 HydrophobicContact CE2-CG2 3.52Å | ||
| 112 | S | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -76.3 | -33.8 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | Q24 P409 V453 L454 | Q24-S112 WeakPolarHBondContact O-CB 3.49Å; Q24-S112 PolarHBondContact O-N 3.05Å; S112-P409 WeakPolarHBondContact O-CD 3.19Å; S112-V453 VanDerWaalsContact CA-O 3.3Å; S112-V453 WeakPolarHBondContact CA-O 3.11Å; S112-V453 WeakPolarHBondContact CB-O 3.44Å; S112-V453 PolarHBondContact OG-O 3.09Å; S112-L454 PolarHBondContact OG-O 3.36Å |
| 113 | V | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.1 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 109 | Q24 I25 C26 I115 P409 Y411 I438 L442 | Q24-V113 PolarHBondContact O-N 2.95Å; I25-V113 HydrophobicContact CG1-CB 4.18Å; I25-V113 HydrophobicContact CG2-CB 4.29Å; I25-V113 HydrophobicContact CG2-CG1 4.39Å; C26-V113 PolarHBondContact N-O 3.04Å; V113-I115 HydrophobicContact CG1-CD1 4.46Å; V113-I115 HydrophobicContact CG1-CG1 3.96Å; V113-P409 HydrophobicContact CG2-CG 4.38Å; V113-Y411 HydrophobicContact CG1-CD2 3.57Å; V113-Y411 HydrophobicContact CG1-CE2 3.67Å; V113-I438 HydrophobicContact CG1-CG2 4.25Å; V113-L442 HydrophobicContact CG2-CD2 3.76Å; V113-L442 HydrophobicContact CG2-CG 4.46Å |
| 114 | I | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.9 | 173.8 | -57.4 | 167.9 | 0 | 0 | 0 | 109 | C26 L104 L107 Q108 W116 P409 M410 Y411 | C26-I114 HydrophobicContact CB-CG1 4.47Å; C26-I114 CarbonylContact O-C 3.58Å; L104-I114 HydrophobicContact CD1-CD1 3.86Å; L107-I114 HydrophobicContact CB-CD1 3.64Å; L107-I114 HydrophobicContact CB-CG1 4.26Å; Q108-I114 HydrophobicContact CB-CD1 4.45Å; Q108-I114 HydrophobicContact CG-CD1 3.64Å; I114-W116 HydrophobicContact CG2-CD2 4.43Å; I114-W116 HydrophobicContact CG2-CZ2 4.09Å; I114-P409 PolarHBondContact N-O 2.82Å; I114-M410 HydrophobicContact CB-CG 4.22Å; I114-M410 CarbonylContact O-C 3.37Å; I114-M410 VanDerWaalsContact O-CA 3.31Å; I114-M410 WeakPolarHBondContact O-CA 3.35Å; I114-Y411 PolarHBondContact O-N 3.09Å |
| 115 | I | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117.9 | -178.8 | -49.3 | 177.8 | 0 | 0 | 0 | 109.3 | I25 C26 I27 V28 T37 L41 V113 Y411 T413 I438 | I25-I115 HydrophobicContact CG2-CD1 3.72Å; I25-I115 HydrophobicContact CG2-CG1 4.18Å; C26-I115 PolarHBondContact O-N 2.95Å; I27-I115 CarbonylContact C-O 3.53Å; I27-I115 WeakPolarHBondContact CA-O 3.22Å; I27-I115 HydrophobicContact CD1-CD1 4.22Å; I27-I115 HydrophobicContact CG1-CB 4.13Å; I27-I115 HydrophobicContact CG1-CD1 4Å; I27-I115 HydrophobicContact CG1-CG1 4.4Å; I27-I115 HydrophobicContact CG2-CB 4.45Å; V28-I115 PolarHBondContact N-O 3Å; T37-I115 HydrophobicContact CG2-CD1 3.77Å; T37-I115 HydrophobicContact CG2-CG2 4.28Å; L41-I115 HydrophobicContact CD1-CD1 3.65Å; V113-I115 HydrophobicContact CG1-CD1 4.46Å; V113-I115 HydrophobicContact CG1-CG1 3.96Å; I115-Y411 CarbonylContact C-O 3.58Å; I115-Y411 WeakPolarHBondContact CA-O 3.39Å; I115-T413 HydrophobicContact CG2-CG2 3.92Å; I115-I438 HydrophobicContact CD1-CD1 3.39Å; I115-I438 HydrophobicContact CG1-CD1 3.82Å |
| 116 | W | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.6 | 175.5 | -57 | 104.4 | 0 | 0 | 0 | 110.5 | V28 I98 L104 L107 I114 Y118 I373 L377 I386 M410 Y411 T413 I416 | V28-W116 HydrophobicContact CB-CE3 3.71Å; V28-W116 HydrophobicContact CB-CZ3 4Å; V28-W116 HydrophobicContact CG1-CE3 3.98Å; V28-W116 HydrophobicContact CG1-CZ3 3.98Å; V28-W116 HydrophobicContact CG2-CE3 3.79Å; V28-W116 HydrophobicContact CG2-CZ3 3.72Å; I98-W116 HydrophobicContact CG2-CH2 4.06Å; I98-W116 HydrophobicContact CG2-CZ3 3.82Å; L104-W116 HydrophobicContact CD1-CH2 4.01Å; L104-W116 HydrophobicContact CD1-CZ2 3.45Å; L104-W116 VanDerWaalsContact CD1-CZ2 3.45Å; L104-W116 HydrophobicContact CD2-CZ2 4.04Å; L104-W116 HydrophobicContact CG-CZ2 4.23Å; L107-W116 HydrophobicContact CD1-CH2 4.43Å; I114-W116 HydrophobicContact CG2-CD2 4.43Å; I114-W116 HydrophobicContact CG2-CZ2 4.09Å; W116-Y118 HydrophobicContact CB-CD1 4.23Å; W116-Y118 HydrophobicContact CB-CE1 4.09Å; W116-Y118 HydrophobicContact CD2-CE1 4.29Å; W116-Y118 AromaticContact CE3-CD1 3.94Å; W116-Y118 HydrophobicContact CE3-CD1 3.94Å; W116-Y118 AromaticContact CE3-CE1 3.75Å; W116-Y118 HydrophobicContact CE3-CE1 3.75Å; W116-Y118 HydrophobicContact CG-CE1 4.47Å; W116-I373 HydrophobicContact CE3-CD1 4.07Å; W116-I373 HydrophobicContact CZ3-CD1 3.69Å; W116-I373 HydrophobicContact CZ3-CG1 4.25Å; W116-L377 HydrophobicContact CD2-CD1 4.14Å; W116-L377 HydrophobicContact CD2-CD2 4.45Å; W116-L377 VanDerWaalsContact CE2-CD1 3.44Å; W116-L377 HydrophobicContact CG-CD1 4.46Å; W116-L377 HydrophobicContact CH2-CD1 4.46Å; W116-L377 HydrophobicContact CZ2-CD1 3.61Å; W116-I386 HydrophobicContact CB-CD1 3.33Å; W116-I386 HydrophobicContact CD2-CD1 4.26Å; W116-I386 HydrophobicContact CG-CD1 3.52Å; W116-M410 HydrophobicContact CZ2-SD 4.33Å; W116-Y411 PolarHBondContact N-O 2.89Å; W116-T413 PolarHBondContact O-N 3.25Å; W116-I416 HydrophobicContact CB-CG2 4.43Å; W116-I416 WeakPolarHBondContact O-CG2 3.34Å |
| 117 | A | 98.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | trans | -135.4 | 24.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I27 V28 A34 G119 T413 | I27-A117 HydrophobicContact CG2-CB 3.94Å; V28-A117 CarbonylContact O-C 3.57Å; V28-A117 VanDerWaalsContact O-CA 3.27Å; V28-A117 WeakPolarHBondContact O-CA 2.93Å; V28-A117 PolarHBondContact O-N 3.09Å; A34-A117 HydrophobicContact CB-CB 3.7Å; A117-G119 VanDerWaalsContact C-N 3.26Å; A117-G119 PolarHBondContact O-N 3.02Å; A117-T413 HydrophobicContact CB-CG2 3.67Å | ||
| 118 | Y | 97.8 | Very high | 95 | Very high | 43 Ų | 43 | 32 Ų | 32 | 17% | 0.169 | 16% | 0.164 | C | C | . | . | trans | -82.1 | 4 | -172.1 | 62.4 | -96 | 0 | 0 | 0 | 114.9 | V28 W116 V371 I373 L377 I386 I416 | V28-Y118 HydrophobicContact CG1-CD1 4.39Å; V28-Y118 PolarHBondContact O-N 3.32Å; W116-Y118 HydrophobicContact CB-CD1 4.23Å; W116-Y118 HydrophobicContact CB-CE1 4.09Å; W116-Y118 HydrophobicContact CD2-CE1 4.29Å; W116-Y118 AromaticContact CE3-CD1 3.94Å; W116-Y118 HydrophobicContact CE3-CD1 3.94Å; W116-Y118 AromaticContact CE3-CE1 3.75Å; W116-Y118 HydrophobicContact CE3-CE1 3.75Å; W116-Y118 HydrophobicContact CG-CE1 4.47Å; Y118-V371 VanDerWaalsContact CE2-O 3.31Å; Y118-V371 WeakPolarHBondContact CE2-O 3.45Å; Y118-V371 PolarHBondContact OH-O 2.59Å; Y118-I373 HydrophobicContact CD1-CD1 3.67Å; Y118-I373 HydrophobicContact CD1-CG1 4.5Å; Y118-I373 HydrophobicContact CD2-CD1 4.47Å; Y118-I373 HydrophobicContact CD2-CG2 4.26Å; Y118-I373 HydrophobicContact CE1-CD1 3.58Å; Y118-I373 HydrophobicContact CE1-CG1 3.94Å; Y118-I373 HydrophobicContact CE2-CD1 4.4Å; Y118-I373 HydrophobicContact CE2-CG1 4.45Å; Y118-I373 HydrophobicContact CE2-CG2 3.86Å; Y118-I373 HydrophobicContact CG-CD1 4.11Å; Y118-L377 HydrophobicContact CE1-CD2 4.29Å; Y118-L377 WeakPolarHBondContact OH-CD2 3.3Å; Y118-I386 HydrophobicContact CE1-CD1 3.86Å; Y118-I416 HydrophobicContact CD1-CG1 4.32Å; Y118-I416 HydrophobicContact CD2-CD1 4.16Å; Y118-I416 HydrophobicContact CD2-CG1 4.22Å; Y118-I416 HydrophobicContact CE1-CD1 4.35Å; Y118-I416 HydrophobicContact CE1-CG1 3.78Å; Y118-I416 HydrophobicContact CE2-CD1 3.37Å; Y118-I416 HydrophobicContact CE2-CG1 3.66Å; Y118-I416 VanDerWaalsContact CZ-CD1 3.5Å; Y118-I416 VanDerWaalsContact CZ-CG1 3.43Å | ||
| 119 | G | 96.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 13% | 0.134 | 19% | 0.189 | C | C | . | . | trans | 61.9 | -148.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A117 I416 | A117-G119 VanDerWaalsContact C-N 3.26Å; A117-G119 PolarHBondContact O-N 3.02Å; G119-I416 WeakPolarHBondContact O-CD1 3.42Å | ||
| 120 | T | 93.5 | Very high | 95.3 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | trans | -129.1 | 102.5 | -175 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | Y368 C369 W415 P420 | T120-Y368 WeakPolarHBondContact OG1-CB 3.22Å; T120-C369 CarbonylContact C-O 3.6Å; T120-C369 WeakPolarHBondContact CA-O 3.24Å; T120-C369 VanDerWaalsContact CB-C 3.49Å; T120-C369 WeakPolarHBondContact CB-O 3.31Å; T120-W415 HydrophobicContact CG2-CB 3.82Å; T120-W415 VanDerWaalsContact OG1-CE3 3.32Å; T120-P420 HydrophobicContact CG2-CB 4.48Å | ||
| 121 | A | 84.6 | Confident | 95.4 | Very high | 54 Ų | 54 | 34.8 Ų | 34.8 | 45% | 0.446 | 19% | 0.191 | S | C | . | . | trans | -97.5 | -0.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K140 C369 | A121-K140 VanDerWaalsContact O-CD 3.3Å; A121-K140 WeakPolarHBondContact O-CD 3.46Å; A121-K140 WeakPolarHBondContact O-CE 3.48Å; A121-K140 PolarHBondContact O-NZ 2.85Å; A121-C369 PolarHBondContact N-O 3.39Å | ||
| 122 | V | 90 | Very high | 95.3 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.3 | -178.2 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | Y368 C369 V371 | V122-Y368 CarbonylContact O-C 3.58Å; V122-Y368 WeakPolarHBondContact O-CA 3.47Å; V122-Y368 WeakPolarHBondContact O-CB 3.47Å; V122-C369 PolarHBondContact N-O 3.2Å; V122-C369 PolarHBondContact O-N 3.24Å; V122-V371 HydrophobicContact CB-CG1 4.12Å; V122-V371 HydrophobicContact CG2-CG1 3.42Å; V122-V371 VanDerWaalsContact CG2-CG1 3.42Å |
| 123 | D | 91.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 147.2 | 171.1 | 57.4 | -59.6 | 0 | 0 | 0 | 111.2 | S138 R364 | D123-S138 WeakPolarHBondContact OD2-CB 3.42Å; D123-R364 IonicContact OD2-CZ 2.72Å; D123-R364 IonicContact OD2-NE 2.83Å; D123-R364 IonicContact OD2-NH2 3.19Å; D123-R364 PolarHBondContact OD2-NH2 3.44Å |
| 124 | R | 92.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 44.7 Ų | 44.7 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -72.5 | 149.8 | 171.6 | -69.3 | -177.8 | 177.6 | -131.6 | -3.7 | 110.5 | I366 G367 Y368 C369 | R124-I366 HydrophobicContact CB-CD1 3.85Å; R124-I366 HydrophobicContact CB-CG1 4Å; R124-I366 WeakPolarHBondContact O-CD1 3.42Å; R124-G367 PolarHBondContact N-O 2.84Å; R124-Y368 PolarHBondContact NE-O 3.44Å; R124-C369 HydrophobicContact CG-CB 4.33Å |
| 125 | R | 93.6 | Very high | 94.9 | Very high | 107 Ų | 107 | 45.1 Ų | 45.1 | 40% | 0.404 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 156.1 | 174 | -59.8 | -160.8 | 66.3 | 129.3 | 2.1 | 111.2 | E131 D132 I366 | R125-E131 WeakPolarHBondContact CA-OE1 2.95Å; R125-E131 IonicContact CZ-OE2 2.87Å; R125-E131 IonicContact NE-OE2 2.8Å; R125-E131 PolarHBondContact NE-OE2 3.48Å; R125-E131 IonicContact NH2-OE2 2.83Å; R125-E131 PolarHBondContact NH2-OE2 3.3Å; R125-E131 VanDerWaalsContact NH2-OE2 3.07Å; R125-D132 IonicContact CZ-OD1 3.5Å; R125-D132 VanDerWaalsContact CZ-OD1 3.27Å; R125-D132 IonicContact NH1-OD1 2.74Å; R125-D132 PolarHBondContact NH1-OD1 3.45Å; R125-D132 IonicContact NH2-OD1 3.97Å; R125-D132 PolarHBondContact NH2-OD1 2.86Å; R125-D132 IonicContact NH2-OD2 2.65Å; R125-D132 PolarHBondContact NH2-OD2 2.92Å; R125-D132 VanDerWaalsContact NH2-OD2 3.16Å; R125-I366 WeakPolarHBondContact O-CD1 3.14Å |
| 126 | L | 93.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | trans | -90.8 | -26 | 177.2 | -69 | 162.3 | 0 | 0 | 0 | 111.8 | I128 E131 I167 P308 R364 I366 | L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 HydrophobicContact CB-CD1 4.2Å; L126-I128 HydrophobicContact CB-CG1 3.9Å; L126-I128 HydrophobicContact CB-CG2 4.24Å; L126-I128 HydrophobicContact CD1-CD1 3.98Å; L126-I128 HydrophobicContact CD1-CG1 4.42Å; L126-I128 PolarHBondContact O-N 3.07Å; L126-E131 VanDerWaalsContact CB-OE1 3.3Å; L126-E131 WeakPolarHBondContact CB-OE1 3.43Å; L126-E131 PolarHBondContact N-OE1 2.88Å; L126-I167 HydrophobicContact CD1-CD1 3.37Å; L126-I167 HydrophobicContact CD1-CG2 4.46Å; L126-I167 HydrophobicContact CD2-CG2 4.07Å; L126-P308 HydrophobicContact CD1-CG 4.44Å; L126-P308 HydrophobicContact CD2-CG 3.9Å; L126-R364 HydrophobicContact CD1-CG 4.09Å; L126-I366 HydrophobicContact CD2-CD1 3.75Å; L126-I366 HydrophobicContact CD2-CG2 4.13Å; L126-I366 HydrophobicContact CG-CD1 3.83Å | ||
| 127 | D | 95.6 | Very high | 94.7 | Very high | 141 Ų | 141 | 46.9 Ų | 46.9 | 75% | 0.754 | 26% | 0.26 | S | S | * | . | trans | 56.9 | 46.3 | -176 | -54.1 | -42.8 | 0 | 0 | 0 | 112.1 | E131 | D127-E131 PolarHBondContact N-OE2 3.37Š| ||
| 128 | I | 97.9 | Very high | 94.5 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | trans | -117.1 | 154.3 | 177.3 | 64.5 | 176.3 | 0 | 0 | 0 | 111.5 | L126 G130 E131 P308 I311 | L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 HydrophobicContact CB-CD1 4.2Å; L126-I128 HydrophobicContact CB-CG1 3.9Å; L126-I128 HydrophobicContact CB-CG2 4.24Å; L126-I128 HydrophobicContact CD1-CD1 3.98Å; L126-I128 HydrophobicContact CD1-CG1 4.42Å; L126-I128 PolarHBondContact O-N 3.07Å; I128-G130 PolarHBondContact O-N 3.25Å; I128-E131 HydrophobicContact CG1-CB 4.4Å; I128-E131 WeakPolarHBondContact O-CB 3.45Å; I128-E131 PolarHBondContact O-N 2.81Å; I128-P308 HydrophobicContact CD1-CB 3.92Å; I128-P308 HydrophobicContact CD1-CG 4.48Å; I128-I311 HydrophobicContact CD1-CD1 4.42Å; I128-I311 HydrophobicContact CD1-CG1 4.17Å | ||
| 129 | P | 98.2 | Very high | 94.5 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 53% | 0.532 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 137.2 | 175.3 | -21.7 | 32.9 | 0 | 0 | 0 | 111.9 | K309 E310 I311 | P129-K309 WeakPolarHBondContact CD-O 3.17Å; P129-E310 HydrophobicContact CB-CG 4.19Å; P129-I311 PolarHBondContact O-N 3.47Å |
| 130 | G | 96.8 | Very high | 94.3 | Very high | 26 Ų | 26 | 48 Ų | 48 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 4.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | I128 D132 L133 I311 | I128-G130 PolarHBondContact O-N 3.25Å; G130-D132 PolarHBondContact O-N 2.76Å; G130-L133 WeakPolarHBondContact O-CB 3.28Å; G130-L133 WeakPolarHBondContact O-CD1 3.39Å; G130-L133 VanDerWaalsContact O-CG 3.25Å; G130-L133 WeakPolarHBondContact O-CG 3.43Å; G130-L133 PolarHBondContact O-N 2.89Å; G130-I311 WeakPolarHBondContact CA-O 3.15Å |
| 131 | E | 96.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.2 | -179.5 | -168.9 | 178.4 | -146.1 | 0 | 0 | 114.4 | R125 L126 D127 I128 V136 R364 | R125-E131 WeakPolarHBondContact CA-OE1 2.95Å; R125-E131 IonicContact CZ-OE2 2.87Å; R125-E131 IonicContact NE-OE2 2.8Å; R125-E131 PolarHBondContact NE-OE2 3.48Å; R125-E131 IonicContact NH2-OE2 2.83Å; R125-E131 PolarHBondContact NH2-OE2 3.3Å; R125-E131 VanDerWaalsContact NH2-OE2 3.07Å; L126-E131 VanDerWaalsContact CB-OE1 3.3Å; L126-E131 WeakPolarHBondContact CB-OE1 3.43Å; L126-E131 PolarHBondContact N-OE1 2.88Å; D127-E131 PolarHBondContact N-OE2 3.37Å; I128-E131 HydrophobicContact CG1-CB 4.4Å; I128-E131 WeakPolarHBondContact O-CB 3.45Å; I128-E131 PolarHBondContact O-N 2.81Å; E131-V136 WeakPolarHBondContact O-CB 3.27Å; E131-V136 VanDerWaalsContact O-CG1 3.3Å; E131-V136 WeakPolarHBondContact O-CG1 3.4Å; E131-R364 PolarHBondContact O-NH1 3.33Å; E131-R364 WeakPolarHBondContact OE1-CD 3.37Å; E131-R364 IonicContact OE1-NE 3.27Å |
| 132 | D | 94.8 | Very high | 94.9 | Very high | 125 Ų | 125 | 48 Ų | 48 | 67% | 0.668 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8 | 179.5 | -63.9 | -62.9 | 0 | 0 | 0 | 114 | R125 G130 | R125-D132 IonicContact CZ-OD1 3.5Å; R125-D132 VanDerWaalsContact CZ-OD1 3.27Å; R125-D132 IonicContact NH1-OD1 2.74Å; R125-D132 PolarHBondContact NH1-OD1 3.45Å; R125-D132 IonicContact NH2-OD1 3.97Å; R125-D132 PolarHBondContact NH2-OD1 2.86Å; R125-D132 IonicContact NH2-OD2 2.65Å; R125-D132 PolarHBondContact NH2-OD2 2.92Å; R125-D132 VanDerWaalsContact NH2-OD2 3.16Å; G130-D132 PolarHBondContact O-N 2.76Å |
| 133 | L | 94.7 | Very high | 95.2 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 18% | 0.183 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -64.9 | 142 | 178.9 | -68.8 | 169.8 | 0 | 0 | 0 | 111.4 | G130 G135 V136 I311 I325 | G130-L133 WeakPolarHBondContact O-CB 3.28Å; G130-L133 WeakPolarHBondContact O-CD1 3.39Å; G130-L133 VanDerWaalsContact O-CG 3.25Å; G130-L133 WeakPolarHBondContact O-CG 3.43Å; G130-L133 PolarHBondContact O-N 2.89Å; L133-G135 PolarHBondContact O-N 2.99Å; L133-V136 HydrophobicContact CB-CG2 4.01Å; L133-V136 WeakPolarHBondContact O-CB 3.24Å; L133-V136 PolarHBondContact O-N 2.77Å; L133-I311 HydrophobicContact CD1-CB 4.49Å; L133-I311 HydrophobicContact CD1-CG2 4.08Å; L133-I325 HydrophobicContact CB-CG1 4.5Å; L133-I325 HydrophobicContact CD2-CD1 3.93Å; L133-I325 HydrophobicContact CD2-CG1 4.4Å |
| 134 | P | 94 | Very high | 95.5 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 125.3 | 163.8 | -26 | 33.9 | 0 | 0 | 0 | 110.9 | R323 I325 | P134-R323 WeakPolarHBondContact CB-O 3.17Å; P134-I325 HydrophobicContact CB-CG1 4.25Å; P134-I325 HydrophobicContact CG-CD1 4.29Å; P134-I325 HydrophobicContact CG-CG1 4.36Å; P134-I325 PolarHBondContact O-N 2.8Å |
| 135 | G | 95.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -3.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L133 S324 L361 V362 | L133-G135 PolarHBondContact O-N 2.99Å; G135-S324 WeakPolarHBondContact CA-OG 3.29Å; G135-L361 WeakPolarHBondContact O-CD1 3.5Å; G135-V362 PolarHBondContact O-N 3.09Å |
| 136 | V | 96.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 9% | 0.085 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 106.8 | 167 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | E131 L133 I311 V326 V362 R364 | E131-V136 WeakPolarHBondContact O-CB 3.27Å; E131-V136 VanDerWaalsContact O-CG1 3.3Å; E131-V136 WeakPolarHBondContact O-CG1 3.4Å; L133-V136 HydrophobicContact CB-CG2 4.01Å; L133-V136 WeakPolarHBondContact O-CB 3.24Å; L133-V136 PolarHBondContact O-N 2.77Å; V136-I311 HydrophobicContact CB-CD1 4.45Å; V136-I311 HydrophobicContact CG1-CD1 3.77Å; V136-I311 HydrophobicContact CG2-CD1 3.75Å; V136-I311 HydrophobicContact CG2-CG2 3.88Å; V136-V326 HydrophobicContact CG2-CG2 3.88Å; V136-V362 CarbonylContact C-O 3.39Å; V136-V362 WeakPolarHBondContact CA-O 3.21Å; V136-V362 HydrophobicContact CG1-CB 4.2Å; V136-V362 HydrophobicContact CG1-CG1 4.2Å; V136-V362 HydrophobicContact CG2-CB 4.32Å; V136-R364 HydrophobicContact CG1-CG 4.3Å |
| 137 | L | 95.9 | Very high | 96 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 153.3 | -172.9 | -48.7 | -177.1 | 0 | 0 | 0 | 110.9 | L142 F155 P157 L361 V362 V363 R364 | L137-L142 HydrophobicContact CB-CD1 4.37Å; L137-L142 HydrophobicContact CB-CG 4.38Å; L137-L142 HydrophobicContact CD1-CD1 4.11Å; L137-L142 HydrophobicContact CD1-CD2 3.81Å; L137-L142 HydrophobicContact CD1-CG 4Å; L137-F155 HydrophobicContact CD1-CZ 4.13Å; L137-F155 HydrophobicContact CD2-CE2 4.03Å; L137-F155 HydrophobicContact CD2-CZ 4.29Å; L137-P157 HydrophobicContact CD1-CB 3.64Å; L137-L361 HydrophobicContact CD1-CD1 3.82Å; L137-L361 HydrophobicContact CD1-CD2 3.99Å; L137-L361 HydrophobicContact CD1-CG 4.22Å; L137-L361 HydrophobicContact CG-CD1 4.02Å; L137-L361 HydrophobicContact CG-CG 4.48Å; L137-V362 PolarHBondContact N-O 3.41Å; L137-V363 CarbonylContact O-C 3.33Å; L137-V363 VanDerWaalsContact O-CA 3.32Å; L137-V363 WeakPolarHBondContact O-CA 3.31Å; L137-R364 PolarHBondContact O-N 3.2Å |
| 138 | S | 95.4 | Very high | 96 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 144.3 | 163.6 | 82.3 | 0 | 0 | 0 | 0 | 110 | D123 K140 D141 L142 | D123-S138 WeakPolarHBondContact OD2-CB 3.42Å; S138-K140 PolarHBondContact O-N 3.35Å; S138-D141 PolarHBondContact O-N 3.49Å; S138-D141 WeakPolarHBondContact OG-CB 3.49Å; S138-D141 PolarHBondContact OG-N 2.78Å; S138-D141 PolarHBondContact OG-OD2 2.92Å; S138-L142 PolarHBondContact O-N 3.06Å |
| 139 | A | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -31.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L142 V143 V172 V176 V363 R364 | A139-L142 PolarHBondContact O-N 2.76Å; A139-V143 WeakPolarHBondContact O-CB 3.39Å; A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.45Å; A139-V172 HydrophobicContact CB-CG1 3.89Å; A139-V176 HydrophobicContact CB-CG2 4.36Å; A139-V363 HydrophobicContact CB-CG1 3.83Å; A139-R364 VanDerWaalsContact CB-O 3.22Å; A139-R364 WeakPolarHBondContact CB-O 3.4Å; A139-R364 PolarHBondContact N-O 3.43Å |
| 140 | K | 94 | Very high | 95.8 | Very high | 78 Ų | 78 | 25.8 Ų | 25.8 | 34% | 0.339 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -55.5 | -51.2 | 173.8 | -178.4 | -159.6 | 158.6 | -164 | 0 | 111.6 | A121 S138 V143 G144 Y368 | A121-K140 VanDerWaalsContact O-CD 3.3Å; A121-K140 WeakPolarHBondContact O-CD 3.46Å; A121-K140 WeakPolarHBondContact O-CE 3.48Å; A121-K140 PolarHBondContact O-NZ 2.85Å; S138-K140 PolarHBondContact O-N 3.35Å; K140-V143 PolarHBondContact O-N 3.3Å; K140-G144 PolarHBondContact O-N 2.81Å; K140-Y368 HydrophobicContact CB-CD1 4.45Å; K140-Y368 HydrophobicContact CB-CE1 3.59Å; K140-Y368 HydrophobicContact CG-CE1 3.83Å |
| 141 | D | 94.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 35% | 0.348 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -70.8 | -36.9 | -173.9 | -60.1 | -33.4 | 0 | 0 | 0 | 110.5 | S138 G144 W145 F155 | S138-D141 PolarHBondContact O-N 3.49Å; S138-D141 WeakPolarHBondContact OG-CB 3.49Å; S138-D141 PolarHBondContact OG-N 2.78Å; S138-D141 PolarHBondContact OG-OD2 2.92Å; D141-G144 PolarHBondContact O-N 2.59Å; D141-W145 WeakPolarHBondContact O-CB 3.47Å; D141-W145 PolarHBondContact O-N 3Å; D141-F155 HydrophobicContact CB-CE1 4.36Å; D141-F155 HydrophobicContact CB-CE2 4.17Å; D141-F155 HydrophobicContact CB-CZ 3.98Å |
| 142 | L | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 170 | -78.3 | 175.9 | 0 | 0 | 0 | 112.4 | L137 S138 A139 W145 Y146 F155 P157 V176 V363 | L137-L142 HydrophobicContact CB-CD1 4.37Å; L137-L142 HydrophobicContact CB-CG 4.38Å; L137-L142 HydrophobicContact CD1-CD1 4.11Å; L137-L142 HydrophobicContact CD1-CD2 3.81Å; L137-L142 HydrophobicContact CD1-CG 4Å; S138-L142 PolarHBondContact O-N 3.06Å; A139-L142 PolarHBondContact O-N 2.76Å; L142-W145 HydrophobicContact CD2-CE3 4.23Å; L142-W145 WeakPolarHBondContact O-CB 3.17Å; L142-W145 PolarHBondContact O-N 2.85Å; L142-Y146 WeakPolarHBondContact O-CD1 3.42Å; L142-Y146 WeakPolarHBondContact O-CE1 3.39Å; L142-Y146 PolarHBondContact O-N 3.29Å; L142-F155 HydrophobicContact CD2-CE1 4.19Å; L142-F155 HydrophobicContact CD2-CZ 4.21Å; L142-F155 HydrophobicContact CG-CZ 4.47Å; L142-P157 HydrophobicContact CD2-CB 3.83Å; L142-P157 HydrophobicContact CD2-CG 3.78Å; L142-V176 HydrophobicContact CD1-CG1 4.01Å; L142-V363 HydrophobicContact CD1-CB 4.26Å; L142-V363 HydrophobicContact CD1-CG1 3.74Å; L142-V363 HydrophobicContact CD1-CG2 3.46Å; L142-V363 VanDerWaalsContact CD1-CG2 3.46Å |
| 143 | V | 96.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | A139 K140 W145 Y146 N147 V172 V176 | A139-V143 WeakPolarHBondContact O-CB 3.39Å; A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.45Å; K140-V143 PolarHBondContact O-N 3.3Å; V143-W145 VanDerWaalsContact C-N 3.34Å; V143-Y146 VanDerWaalsContact CA-CZ 3.42Å; V143-Y146 HydrophobicContact CB-CE1 4.39Å; V143-Y146 HydrophobicContact CB-CE2 4.28Å; V143-Y146 HydrophobicContact CG1-CE2 4.05Å; V143-Y146 HydrophobicContact CG2-CE1 4.2Å; V143-Y146 WeakPolarHBondContact CG2-OH 3.38Å; V143-Y146 WeakPolarHBondContact O-CD2 3.25Å; V143-N147 VanDerWaalsContact O-CB 3.25Å; V143-N147 WeakPolarHBondContact O-CB 3.27Å; V143-N147 PolarHBondContact O-N 3.02Å; V143-N147 PolarHBondContact O-ND2 3.11Å; V143-V172 HydrophobicContact CG2-CG1 3.67Å; V143-V176 HydrophobicContact CG2-CG2 4.07Å |
| 144 | G | 95.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K140 D141 N147 G148 V149 | K140-G144 PolarHBondContact O-N 2.81Å; D141-G144 PolarHBondContact O-N 2.59Å; G144-N147 CarbonylContact O-C 3.52Å; G144-N147 PolarHBondContact O-N 3.28Å; G144-G148 PolarHBondContact O-N 2.74Å; G144-V149 VanDerWaalsContact CA-CG1 3.48Å; G144-V149 WeakPolarHBondContact O-CG1 3.42Å; G144-V149 PolarHBondContact O-N 2.83Å |
| 145 | W | 96.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -56.7 | 178.4 | 171.1 | 72.7 | 0 | 0 | 0 | 112 | D141 L142 V143 N147 G148 F155 P157 L159 V196 C199 L200 | D141-W145 WeakPolarHBondContact O-CB 3.47Å; D141-W145 PolarHBondContact O-N 3Å; L142-W145 HydrophobicContact CD2-CE3 4.23Å; L142-W145 WeakPolarHBondContact O-CB 3.17Å; L142-W145 PolarHBondContact O-N 2.85Å; V143-W145 VanDerWaalsContact C-N 3.34Å; W145-N147 PolarHBondContact O-N 2.89Å; W145-G148 PolarHBondContact O-N 2.97Å; W145-F155 HydrophobicContact CB-CD1 3.66Å; W145-F155 HydrophobicContact CB-CE1 3.68Å; W145-F155 AromaticContact CD1-CD1 3.82Å; W145-F155 VanDerWaalsContact CD1-O 3.24Å; W145-F155 AromaticContact CG-CD1 3.8Å; W145-F155 HydrophobicContact CG-CD1 3.8Å; W145-F155 AromaticContact CG-CE1 3.93Å; W145-F155 HydrophobicContact CG-CE1 3.93Å; W145-F155 PolarHBondContact NE1-O 3.16Å; W145-P157 HydrophobicContact CD2-CG 4.13Å; W145-P157 VanDerWaalsContact CE2-CD 3.46Å; W145-P157 HydrophobicContact CE3-CG 3.98Å; W145-P157 HydrophobicContact CH2-CG 3.69Å; W145-P157 HydrophobicContact CZ2-CG 3.83Å; W145-P157 HydrophobicContact CZ3-CG 3.77Å; W145-L159 HydrophobicContact CH2-CD1 4.3Å; W145-V196 HydrophobicContact CD2-CG1 3.97Å; W145-V196 HydrophobicContact CD2-CG2 4.24Å; W145-V196 HydrophobicContact CE3-CG1 3.95Å; W145-V196 HydrophobicContact CG-CG2 4.42Å; W145-V196 HydrophobicContact CH2-CG1 3.55Å; W145-V196 HydrophobicContact CZ2-CB 4.09Å; W145-V196 HydrophobicContact CZ2-CG1 3.56Å; W145-V196 HydrophobicContact CZ2-CG2 4.25Å; W145-V196 HydrophobicContact CZ3-CG1 3.74Å; W145-V196 WeakPolarHBondContact O-CG2 3.29Å; W145-C199 HydrophobicContact CH2-CB 4.12Å; W145-C199 HydrophobicContact CZ2-CB 3.67Å; W145-L200 HydrophobicContact CH2-CD2 4.09Å; W145-L200 HydrophobicContact CH2-CG 4.01Å; W145-L200 HydrophobicContact CZ3-CD2 4.21Å; W145-L200 HydrophobicContact CZ3-CG 4.44Å |
| 146 | Y | 97.2 | Very high | 92.6 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.7 | -19.7 | -178.8 | 62.9 | -123.7 | 0 | 0 | 0 | 113.5 | P69 L142 V143 V176 I179 P193 | P69-Y146 HydrophobicContact CG-CD2 3.82Å; P69-Y146 HydrophobicContact CG-CE2 4.35Å; L142-Y146 WeakPolarHBondContact O-CD1 3.42Å; L142-Y146 WeakPolarHBondContact O-CE1 3.39Å; L142-Y146 PolarHBondContact O-N 3.29Å; V143-Y146 VanDerWaalsContact CA-CZ 3.42Å; V143-Y146 HydrophobicContact CB-CE1 4.39Å; V143-Y146 HydrophobicContact CB-CE2 4.28Å; V143-Y146 HydrophobicContact CG1-CE2 4.05Å; V143-Y146 HydrophobicContact CG2-CE1 4.2Å; V143-Y146 WeakPolarHBondContact CG2-OH 3.38Å; V143-Y146 WeakPolarHBondContact O-CD2 3.25Å; Y146-V176 HydrophobicContact CE1-CG2 4.31Å; Y146-I179 HydrophobicContact CD1-CB 4.43Å; Y146-I179 HydrophobicContact CD1-CG1 4.48Å; Y146-I179 HydrophobicContact CD1-CG2 3.97Å; Y146-I179 HydrophobicContact CE1-CB 4.37Å; Y146-I179 HydrophobicContact CE1-CG1 4.22Å; Y146-I179 HydrophobicContact CE1-CG2 4.4Å; Y146-I179 HydrophobicContact CG-CG2 4.31Å; Y146-P193 WeakPolarHBondContact O-CD 3.41Å |
| 147 | N | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -1.6 | 170.6 | -85 | -63.3 | 0 | 0 | 0 | 113.8 | Y65 V67 K75 V143 G144 W145 K499 | Y65-N147 VanDerWaalsContact O-CB 3.32Å; Y65-N147 WeakPolarHBondContact O-CB 3.28Å; Y65-N147 PolarHBondContact O-ND2 2.75Å; V67-N147 PolarHBondContact O-ND2 2.66Å; V67-N147 PolarHBondContact O-OD1 3.21Å; K75-N147 PolarHBondContact NZ-OD1 2.79Å; V143-N147 VanDerWaalsContact O-CB 3.25Å; V143-N147 WeakPolarHBondContact O-CB 3.27Å; V143-N147 PolarHBondContact O-N 3.02Å; V143-N147 PolarHBondContact O-ND2 3.11Å; G144-N147 CarbonylContact O-C 3.52Å; G144-N147 PolarHBondContact O-N 3.28Å; W145-N147 PolarHBondContact O-N 2.89Å; N147-K499 WeakPolarHBondContact O-CD 3.3Å; N147-K499 WeakPolarHBondContact O-CE 3.46Å; N147-K499 PolarHBondContact O-NZ 3.08Å |
| 148 | G | 96.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 41.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | Y65 G144 W145 | Y65-G148 WeakPolarHBondContact CE1-O 3.48Å; G144-G148 PolarHBondContact O-N 2.74Å; W145-G148 PolarHBondContact O-N 2.97Å |
| 149 | V | 95.8 | Very high | 92.6 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 30% | 0.297 | 22% | 0.22 | S | C | . | . | trans | -60.9 | 132.4 | 169.9 | 75.3 | 0 | 0 | 0 | 0 | 109.2 | L56 Y65 G144 S151 | L56-V149 HydrophobicContact CD1-CG2 4.42Å; Y65-V149 HydrophobicContact CD1-CB 3.98Å; Y65-V149 HydrophobicContact CD1-CG2 4.19Å; Y65-V149 HydrophobicContact CD2-CG2 4.26Å; Y65-V149 HydrophobicContact CG-CB 4.18Å; Y65-V149 HydrophobicContact CG-CG2 4Å; G144-V149 VanDerWaalsContact CA-CG1 3.48Å; G144-V149 WeakPolarHBondContact O-CG1 3.42Å; G144-V149 PolarHBondContact O-N 2.83Å; V149-S151 PolarHBondContact O-N 3.36Å | ||
| 150 | P | 95.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.071 | 24% | 0.238 | C | C | . | . | trans | -66.3 | 127.1 | 178.4 | 27.9 | -37.1 | 0 | 0 | 0 | 110.8 | L56 T501 I503 M506 | L56-P150 HydrophobicContact CD1-CG 4.28Å; L56-P150 HydrophobicContact CD2-CG 3.99Å; P150-T501 VanDerWaalsContact CA-O 3.32Å; P150-T501 WeakPolarHBondContact CA-O 3.41Å; P150-I503 HydrophobicContact CB-CD1 3.75Å; P150-I503 HydrophobicContact CB-CG1 4.23Å; P150-I503 HydrophobicContact CG-CD1 3.86Å; P150-M506 HydrophobicContact CB-SD 3.53Å; P150-M506 VanDerWaalsContact CB-SD 3.53Å; P150-M506 HydrophobicContact CG-CE 4.42Å; P150-M506 HydrophobicContact CG-SD 3.57Å; P150-M506 VanDerWaalsContact CG-SD 3.57Å | ||
| 151 | S | 88 | Confident | 92.7 | Very high | 48 Ų | 48 | 39.6 Ų | 39.6 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | trans | -143.4 | 140.2 | -178.8 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | V149 V153 T501 | V149-S151 PolarHBondContact O-N 3.36Å; S151-V153 VanDerWaalsContact C-N 3.3Å; S151-V153 PolarHBondContact OG-N 3.41Å; S151-V153 PolarHBondContact OG-O 3.18Å; S151-T501 PolarHBondContact N-O 2.96Å; S151-T501 VanDerWaalsContact N-O 3.15Å | ||
| 152 | D | 77.8 | Confident | 92.8 | Very high | 140 Ų | 140 | 41.1 Ų | 41.1 | 75% | 0.749 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -82.8 | -13.4 | 171.1 | -57.8 | -39.4 | 0 | 0 | 0 | 111.7 | ||
| 153 | V | 79.7 | Confident | 92.9 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 64% | 0.642 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -84.5 | 122.8 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 109 | S151 F155 | S151-V153 VanDerWaalsContact C-N 3.3Å; S151-V153 PolarHBondContact OG-N 3.41Å; S151-V153 PolarHBondContact OG-O 3.18Å; V153-F155 VanDerWaalsContact C-N 3.33Å; V153-F155 PolarHBondContact O-N 3.45Å |
| 154 | N | 80.6 | Confident | 93 | Very high | 135 Ų | 135 | 42.2 Ų | 42.2 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | trans | -71.2 | 88.1 | 171.8 | -173.5 | 19.4 | 0 | 0 | 0 | 110 | ||||
| 155 | F | 89.2 | Confident | 93.2 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 25% | 0.254 | 24% | 0.237 | S | C | . | . | trans | -98.9 | 118.5 | 178.4 | 177.9 | -94.5 | 0 | 0 | 0 | 110.3 | L137 D141 L142 W145 V153 | L137-F155 HydrophobicContact CD1-CZ 4.13Å; L137-F155 HydrophobicContact CD2-CE2 4.03Å; L137-F155 HydrophobicContact CD2-CZ 4.29Å; D141-F155 HydrophobicContact CB-CE1 4.36Å; D141-F155 HydrophobicContact CB-CE2 4.17Å; D141-F155 HydrophobicContact CB-CZ 3.98Å; L142-F155 HydrophobicContact CD2-CE1 4.19Å; L142-F155 HydrophobicContact CD2-CZ 4.21Å; L142-F155 HydrophobicContact CG-CZ 4.47Å; W145-F155 HydrophobicContact CB-CD1 3.66Å; W145-F155 HydrophobicContact CB-CE1 3.68Å; W145-F155 AromaticContact CD1-CD1 3.82Å; W145-F155 VanDerWaalsContact CD1-O 3.24Å; W145-F155 AromaticContact CG-CD1 3.8Å; W145-F155 HydrophobicContact CG-CD1 3.8Å; W145-F155 AromaticContact CG-CE1 3.93Å; W145-F155 HydrophobicContact CG-CE1 3.93Å; W145-F155 PolarHBondContact NE1-O 3.16Å; V153-F155 VanDerWaalsContact C-N 3.33Å; V153-F155 PolarHBondContact O-N 3.45Å | ||
| 156 | S | 90.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | trans | -138.6 | 116.4 | 169.7 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 157 | P | 94.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | trans | -67.7 | 141 | 179.6 | 29.8 | -35.2 | 0 | 0 | 0 | 111.3 | L137 L142 W145 L159 | L137-P157 HydrophobicContact CD1-CB 3.64Å; L142-P157 HydrophobicContact CD2-CB 3.83Å; L142-P157 HydrophobicContact CD2-CG 3.78Å; W145-P157 HydrophobicContact CD2-CG 4.13Å; W145-P157 VanDerWaalsContact CE2-CD 3.46Å; W145-P157 HydrophobicContact CE3-CG 3.98Å; W145-P157 HydrophobicContact CH2-CG 3.69Å; W145-P157 HydrophobicContact CZ2-CG 3.83Å; W145-P157 HydrophobicContact CZ3-CG 3.77Å; P157-L159 HydrophobicContact CB-CD2 4.07Å; P157-L159 HydrophobicContact CB-CG 4.38Å; P157-L159 HydrophobicContact CG-CD1 4.45Å; P157-L159 HydrophobicContact CG-CD2 4.21Å; P157-L159 HydrophobicContact CG-CG 4.2Å; P157-L159 PolarHBondContact O-N 3.44Å | ||
| 158 | D | 95.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | trans | -78.4 | 99.2 | 170 | 180 | 6.7 | 0 | 0 | 0 | 110.4 | S160 N322 R323 S324 | D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 WeakPolarHBondContact OD1-CB 3.46Å; D158-S160 PolarHBondContact OD1-N 2.93Å; D158-S160 PolarHBondContact OD1-OG 2.8Å; D158-S160 PolarHBondContact OD2-OG 2.82Å; D158-N322 WeakPolarHBondContact CB-O 3.5Å; D158-R323 WeakPolarHBondContact OD2-CG 3.45Å; D158-S324 PolarHBondContact OD2-N 3.03Å | ||
| 159 | L | 97.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | trans | -94.3 | 20.8 | 178.8 | -55.6 | -178.3 | 0 | 0 | 0 | 112.6 | W145 P157 C161 L180 L200 K204 V205 L361 | W145-L159 HydrophobicContact CH2-CD1 4.3Å; P157-L159 HydrophobicContact CB-CD2 4.07Å; P157-L159 HydrophobicContact CB-CG 4.38Å; P157-L159 HydrophobicContact CG-CD1 4.45Å; P157-L159 HydrophobicContact CG-CD2 4.21Å; P157-L159 HydrophobicContact CG-CG 4.2Å; P157-L159 PolarHBondContact O-N 3.44Å; L159-C161 VanDerWaalsContact C-N 3.25Å; L159-C161 PolarHBondContact O-N 2.9Å; L159-L180 HydrophobicContact CD1-CD2 4.2Å; L159-L180 HydrophobicContact CD2-CD2 3.85Å; L159-L200 HydrophobicContact CD1-CD2 3.88Å; L159-K204 PolarHBondContact O-N 3.08Å; L159-V205 HydrophobicContact CB-CG2 4.4Å; L159-V205 HydrophobicContact CD2-CG2 4.48Å; L159-L361 HydrophobicContact CD2-CD2 4.14Å | ||
| 160 | S | 95.9 | Very high | 93.4 | Very high | 58 Ų | 58 | 40.5 Ų | 40.5 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | trans | -76.9 | -7.9 | 180 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | D158 K204 | D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 WeakPolarHBondContact OD1-CB 3.46Å; D158-S160 PolarHBondContact OD1-N 2.93Å; D158-S160 PolarHBondContact OD1-OG 2.8Å; D158-S160 PolarHBondContact OD2-OG 2.82Å; S160-K204 WeakPolarHBondContact O-CD 3.35Å | ||
| 161 | C | 96.7 | Very high | 93.4 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 14% | 0.142 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -83.7 | 156.5 | 174.3 | 72 | 0 | 0 | 0 | 0 | 112.5 | L159 T163 K204 V205 | L159-C161 VanDerWaalsContact C-N 3.25Å; L159-C161 PolarHBondContact O-N 2.9Å; C161-T163 PolarHBondContact SG-O 3.34Å; C161-K204 CarbonylContact O-C 3.49Å; C161-K204 VanDerWaalsContact O-C 3.29Å; C161-V205 WeakPolarHBondContact O-CA 3.41Å; C161-V205 WeakPolarHBondContact O-CG2 3.42Å; C161-V205 PolarHBondContact O-N 2.75Å |
| 162 | E | 97.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 41 Ų | 41 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -86.2 | -22.6 | 175.9 | -64.3 | -159.2 | 140.2 | 0 | 0 | 113.7 | K204 K206 N207 | E162-K204 WeakPolarHBondContact CA-O 3.3Å; E162-K206 PolarHBondContact O-N 2.77Å; E162-K206 IonicContact OE1-NZ 2.83Å; E162-K206 PolarHBondContact OE1-NZ 2.81Å; E162-N207 PolarHBondContact O-N 3.23Å |
| 163 | T | 98.4 | Very high | 94.8 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.9 | -173.6 | -56.8 | 0 | 0 | 0 | 0 | 112 | C161 N207 P358 C359 G360 | C161-T163 PolarHBondContact SG-O 3.34Å; T163-N207 CarbonylContact C-O 3.49Å; T163-N207 VanDerWaalsContact CA-O 3.29Å; T163-N207 WeakPolarHBondContact CA-O 3.36Å; T163-N207 HydrophobicContact CG2-CB 4.1Å; T163-P358 WeakPolarHBondContact CG2-O 3.49Å; T163-C359 HydrophobicContact CG2-CB 4.14Å; T163-C359 WeakPolarHBondContact O-CA 3.36Å; T163-C359 WeakPolarHBondContact O-CB 3.34Å; T163-G360 PolarHBondContact O-N 2.96Å |
| 164 | V | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.5 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | I166 L180 V205 N207 V208 T209 L361 V363 | V164-I166 HydrophobicContact CG1-CG1 4.19Å; V164-L180 HydrophobicContact CG1-CD1 4.19Å; V164-L180 HydrophobicContact CG2-CD1 4.39Å; V164-V205 HydrophobicContact CG2-CB 4.39Å; V164-V205 HydrophobicContact CG2-CG1 3.77Å; V164-V205 HydrophobicContact CG2-CG2 3.64Å; V164-N207 PolarHBondContact N-O 3.28Å; V164-V208 HydrophobicContact CB-CG2 4.38Å; V164-V208 CarbonylContact O-C 3.46Å; V164-V208 WeakPolarHBondContact O-CA 3.42Å; V164-T209 PolarHBondContact O-N 3.49Å; V164-L361 WeakPolarHBondContact CA-O 3.39Å; V164-L361 HydrophobicContact CB-CB 4.48Å; V164-L361 HydrophobicContact CG1-CB 4.2Å; V164-L361 HydrophobicContact CG1-CD2 4.03Å; V164-L361 HydrophobicContact CG1-CG 4.44Å; V164-L361 HydrophobicContact CG2-CB 4.05Å; V164-L361 HydrophobicContact CG2-CD2 4.06Å; V164-V363 HydrophobicContact CG1-CG2 3.87Å |
| 165 | A | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T209 I211 I329 L357 C359 L361 V362 V363 | A165-T209 CarbonylContact C-O 3.48Å; A165-T209 WeakPolarHBondContact CA-O 3.47Å; A165-I211 HydrophobicContact CB-CD1 3.94Å; A165-I329 HydrophobicContact CB-CG2 4.2Å; A165-L357 HydrophobicContact CB-CD2 4.01Å; A165-C359 HydrophobicContact CB-CB 4.06Å; A165-L361 PolarHBondContact N-O 3.47Å; A165-V362 HydrophobicContact CB-CG2 4.28Å; A165-V362 CarbonylContact O-C 3.48Å; A165-V362 VanDerWaalsContact O-CA 3.28Å; A165-V362 WeakPolarHBondContact O-CA 3.43Å; A165-V363 PolarHBondContact O-N 3.22Å |
| 166 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118.6 | 175.5 | -54.3 | -176 | 0 | 0 | 0 | 108.7 | V164 G168 A173 V176 A177 V208 T209 L210 I211 V363 | V164-I166 HydrophobicContact CG1-CG1 4.19Å; I166-G168 PolarHBondContact O-N 3.3Å; I166-A173 HydrophobicContact CG2-CB 3.81Å; I166-V176 HydrophobicContact CD1-CB 4.11Å; I166-V176 HydrophobicContact CD1-CG1 3.71Å; I166-A177 HydrophobicContact CD1-CB 4.04Å; I166-V208 HydrophobicContact CD1-CG1 3.42Å; I166-V208 VanDerWaalsContact CD1-CG1 3.42Å; I166-V208 HydrophobicContact CG1-CG1 3.78Å; I166-T209 PolarHBondContact N-O 3.44Å; I166-L210 HydrophobicContact CB-CD1 4.41Å; I166-L210 HydrophobicContact CB-CG 4.28Å; I166-L210 HydrophobicContact CD1-CD1 4.28Å; I166-L210 CarbonylContact O-C 3.59Å; I166-L210 VanDerWaalsContact O-CA 3.29Å; I166-L210 WeakPolarHBondContact O-CA 3.41Å; I166-I211 PolarHBondContact O-N 2.88Å; I166-V363 CarbonylContact C-O 3.35Å; I166-V363 WeakPolarHBondContact CA-O 3.44Å; I166-V363 HydrophobicContact CB-CB 4.47Å; I166-V363 HydrophobicContact CG1-CB 4.09Å; I166-V363 HydrophobicContact CG1-CG2 4.41Å; I166-V363 HydrophobicContact CG2-CB 4.35Å; I166-V363 HydrophobicContact CG2-CG1 4.5Å |
| 167 | I | 98.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.036 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 106.2 | 179 | -55.6 | 167.7 | 0 | 0 | 0 | 108.1 | L126 I211 P308 I329 V362 V363 S365 I366 | L126-I167 HydrophobicContact CD1-CD1 3.37Å; L126-I167 HydrophobicContact CD1-CG2 4.46Å; L126-I167 HydrophobicContact CD2-CG2 4.07Å; I167-I211 HydrophobicContact CG1-CD1 4.3Å; I167-P308 HydrophobicContact CD1-CB 4.01Å; I167-P308 HydrophobicContact CD1-CG 4.16Å; I167-P308 HydrophobicContact CG2-CG 3.93Å; I167-I329 HydrophobicContact CD1-CD1 3.68Å; I167-I329 HydrophobicContact CG1-CD1 4.24Å; I167-V362 HydrophobicContact CD1-CG1 3.68Å; I167-V362 HydrophobicContact CG1-CG1 4.22Å; I167-V363 PolarHBondContact N-O 3.22Å; I167-S365 CarbonylContact O-C 3.51Å; I167-S365 VanDerWaalsContact O-CA 3.25Å; I167-S365 WeakPolarHBondContact O-CA 3.29Å; I167-S365 PolarHBondContact O-N 3.15Å; I167-I366 HydrophobicContact CB-CG2 4.32Å; I167-I366 HydrophobicContact CG2-CG2 3.64Å; I167-I366 WeakPolarHBondContact O-CG2 3.38Å |
| 168 | G | 97.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 18.4 Ų | 18.4 | 10% | 0.103 | 11% | 0.11 | C | C | . | . | trans | 140.2 | 153.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I166 I211 | I166-G168 PolarHBondContact O-N 3.3Å; G168-I211 PolarHBondContact N-O 2.94Å | ||
| 169 | M | 97 | Very high | 97.3 | Very high | 21 Ų | 21 | 17.1 Ų | 17.1 | 10% | 0.103 | 10% | 0.103 | C | C | . | . | trans | -132.1 | 39.4 | -178 | -69.8 | -75.1 | -175.4 | 0 | 0 | 110.9 | L210 V219 A220 F221 L302 F304 | M169-L210 HydrophobicContact CE-CB 3.86Å; M169-L210 WeakPolarHBondContact CE-O 3.4Å; M169-L210 HydrophobicContact SD-CB 3.84Å; M169-L210 HydrophobicContact SD-CD2 4.31Å; M169-V219 HydrophobicContact CB-CG1 4.49Å; M169-A220 CarbonylContact O-C 3.47Å; M169-A220 WeakPolarHBondContact O-CA 3.34Å; M169-A220 WeakPolarHBondContact O-CB 3.44Å; M169-A220 PolarHBondContact O-N 2.84Å; M169-F221 HydrophobicContact CB-CD1 4.43Å; M169-F221 WeakPolarHBondContact O-CD1 3.3Å; M169-F221 PolarHBondContact O-N 3.28Å; M169-F221 HydrophobicContact SD-CE1 4.22Å; M169-L302 HydrophobicContact CE-CB 4.23Å; M169-L302 HydrophobicContact SD-CD2 4.31Å; M169-F304 HydrophobicContact CE-CD1 4.23Å; M169-F304 HydrophobicContact CE-CE1 4.14Å; M169-F304 HydrophobicContact SD-CE1 4.37Å | ||
| 170 | G | 95.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 17.3 Ų | 17.3 | 19% | 0.186 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -105 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V172 A173 V174 | G170-V172 VanDerWaalsContact C-N 3.33Å; G170-V172 PolarHBondContact O-N 2.79Å; G170-A173 WeakPolarHBondContact O-CB 3.47Å; G170-A173 PolarHBondContact O-N 2.9Å; G170-A173 VanDerWaalsContact O-N 3.15Å; G170-V174 PolarHBondContact O-N 3.3Å |
| 171 | N | 95.7 | Very high | 97.2 | Very high | 35 Ų | 35 | 14.6 Ų | 14.6 | 19% | 0.187 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -53.9 | -48.8 | 177.7 | -72.4 | -12 | 0 | 0 | 0 | 111.8 | A173 V174 D175 F221 T222 E225 | N171-A173 VanDerWaalsContact C-N 3.26Å; N171-A173 PolarHBondContact O-N 3.01Å; N171-V174 CarbonylContact O-C 3.32Å; N171-V174 WeakPolarHBondContact O-CA 3.34Å; N171-V174 WeakPolarHBondContact O-CB 3.39Å; N171-V174 PolarHBondContact O-N 2.79Å; N171-D175 VanDerWaalsContact O-CG 3.29Å; N171-D175 PolarHBondContact O-N 2.77Å; N171-F221 VanDerWaalsContact OD1-CA 3.24Å; N171-F221 WeakPolarHBondContact OD1-CA 3.49Å; N171-T222 PolarHBondContact OD1-N 3.38Å; N171-E225 HydrophobicContact CB-CG 3.9Å; N171-E225 VanDerWaalsContact OD1-CG 3.27Å; N171-E225 WeakPolarHBondContact OD1-CG 3.5Å |
| 172 | V | 96 | Very high | 97.1 | Very high | 34 Ų | 34 | 14.2 Ų | 14.2 | 21% | 0.206 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -38.4 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | A139 V143 G170 V174 D175 V176 Y368 | A139-V172 HydrophobicContact CB-CG1 3.89Å; V143-V172 HydrophobicContact CG2-CG1 3.67Å; G170-V172 VanDerWaalsContact C-N 3.33Å; G170-V172 PolarHBondContact O-N 2.79Å; V172-V174 VanDerWaalsContact C-N 3.31Å; V172-V174 PolarHBondContact O-N 3.4Å; V172-D175 PolarHBondContact O-N 2.99Å; V172-V176 HydrophobicContact CG1-CG2 4.37Å; V172-V176 VanDerWaalsContact O-CG2 3.29Å; V172-V176 WeakPolarHBondContact O-CG2 3.38Å; V172-V176 PolarHBondContact O-N 2.82Å; V172-Y368 HydrophobicContact CG2-CE2 4.24Å |
| 173 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I166 G170 N171 A177 L210 S365 | I166-A173 HydrophobicContact CG2-CB 3.81Å; G170-A173 WeakPolarHBondContact O-CB 3.47Å; G170-A173 PolarHBondContact O-N 2.9Å; G170-A173 VanDerWaalsContact O-N 3.15Å; N171-A173 VanDerWaalsContact C-N 3.26Å; N171-A173 PolarHBondContact O-N 3.01Å; A173-A177 WeakPolarHBondContact O-CB 3.27Å; A173-A177 PolarHBondContact O-N 2.72Å; A173-L210 HydrophobicContact CB-CD2 3.98Å; A173-L210 HydrophobicContact CB-CG 4.37Å; A173-S365 PolarHBondContact N-OG 3.21Å |
| 174 | V | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 111 | G170 N171 V172 A177 R178 L210 F221 E225 L229 | G170-V174 PolarHBondContact O-N 3.3Å; N171-V174 CarbonylContact O-C 3.32Å; N171-V174 WeakPolarHBondContact O-CA 3.34Å; N171-V174 WeakPolarHBondContact O-CB 3.39Å; N171-V174 PolarHBondContact O-N 2.79Å; V172-V174 VanDerWaalsContact C-N 3.31Å; V172-V174 PolarHBondContact O-N 3.4Å; V174-A177 PolarHBondContact O-N 2.81Å; V174-R178 VanDerWaalsContact O-CB 3.28Å; V174-R178 WeakPolarHBondContact O-CB 3.42Å; V174-R178 PolarHBondContact O-N 2.8Å; V174-L210 HydrophobicContact CG2-CD2 4.03Å; V174-F221 HydrophobicContact CG2-CB 3.8Å; V174-F221 HydrophobicContact CG2-CD1 3.95Å; V174-F221 HydrophobicContact CG2-CG 3.99Å; V174-E225 HydrophobicContact CB-CB 4.18Å; V174-E225 HydrophobicContact CG1-CB 3.81Å; V174-L229 HydrophobicContact CG1-CB 4.16Å; V174-L229 HydrophobicContact CG1-CD2 4.14Å |
| 175 | D | 96.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 8% | 0.08 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 175.9 | -64 | -36.8 | 0 | 0 | 0 | 111.3 | A68 H71 N171 V172 A177 R178 I179 E225 | A68-D175 HydrophobicContact CB-CB 4.3Å; H71-D175 IonicContact CE1-OD1 3.15Å; N171-D175 VanDerWaalsContact O-CG 3.29Å; N171-D175 PolarHBondContact O-N 2.77Å; V172-D175 PolarHBondContact O-N 2.99Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 3.02Å; D175-R178 PolarHBondContact O-N 3.22Å; D175-R178 IonicContact OD1-CZ 3.27Å; D175-R178 IonicContact OD1-NH1 2.76Å; D175-R178 PolarHBondContact OD1-NH1 3.21Å; D175-R178 IonicContact OD1-NH2 2.7Å; D175-R178 PolarHBondContact OD1-NH2 3.38Å; D175-I179 WeakPolarHBondContact O-CG1 3.29Å; D175-I179 PolarHBondContact O-N 2.92Å; D175-E225 VanDerWaalsContact OD1-OE2 3.13Å |
| 176 | V | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | A139 L142 V143 Y146 I166 V172 R178 I179 L180 V363 | A139-V176 HydrophobicContact CB-CG2 4.36Å; L142-V176 HydrophobicContact CD1-CG1 4.01Å; V143-V176 HydrophobicContact CG2-CG2 4.07Å; Y146-V176 HydrophobicContact CE1-CG2 4.31Å; I166-V176 HydrophobicContact CD1-CB 4.11Å; I166-V176 HydrophobicContact CD1-CG1 3.71Å; V172-V176 HydrophobicContact CG1-CG2 4.37Å; V172-V176 VanDerWaalsContact O-CG2 3.29Å; V172-V176 WeakPolarHBondContact O-CG2 3.38Å; V172-V176 PolarHBondContact O-N 2.82Å; V176-R178 VanDerWaalsContact C-N 3.31Å; V176-R178 PolarHBondContact O-N 3.03Å; V176-I179 PolarHBondContact O-N 3.24Å; V176-L180 HydrophobicContact CG1-CD1 3.76Å; V176-L180 HydrophobicContact CG1-CG 4.25Å; V176-L180 WeakPolarHBondContact O-CB 3.19Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.21Å; V176-L180 PolarHBondContact O-N 3Å; V176-V363 HydrophobicContact CG1-CG1 4.46Å |
| 177 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I166 A173 V174 D175 L180 L181 V208 L210 | I166-A177 HydrophobicContact CD1-CB 4.04Å; A173-A177 WeakPolarHBondContact O-CB 3.27Å; A173-A177 PolarHBondContact O-N 2.72Å; V174-A177 PolarHBondContact O-N 2.81Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 3.02Å; A177-L180 PolarHBondContact O-N 3.32Å; A177-L181 VanDerWaalsContact O-CB 3.31Å; A177-L181 WeakPolarHBondContact O-CB 3.41Å; A177-L181 VanDerWaalsContact O-CG 3.24Å; A177-L181 WeakPolarHBondContact O-CG 3.37Å; A177-L181 PolarHBondContact O-N 3.14Å; A177-V208 HydrophobicContact CB-CB 4.33Å; A177-V208 HydrophobicContact CB-CG1 3.67Å; A177-L210 HydrophobicContact CB-CD1 3.83Å |
| 178 | R | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 179.5 | -169.3 | 172.2 | 66.7 | -106.6 | -16.2 | 111.5 | D70 H71 V174 D175 V176 S182 E225 L229 | D70-R178 IonicContact OD1-CZ 2.74Å; D70-R178 IonicContact OD1-NE 2.69Å; D70-R178 PolarHBondContact OD1-NE 3.49Å; D70-R178 IonicContact OD1-NH2 2.71Å; D70-R178 PolarHBondContact OD1-NH2 3.11Å; D70-R178 WeakPolarHBondContact OD2-CD 3.29Å; D70-R178 IonicContact OD2-CZ 3.76Å; D70-R178 IonicContact OD2-NE 2.73Å; D70-R178 PolarHBondContact OD2-NE 3.07Å; D70-R178 IonicContact OD2-NH2 2.73Å; H71-R178 VanDerWaalsContact CE1-CZ 3.41Å; H71-R178 PolarHBondContact CE1-NH2 3.45Å; H71-R178 PolarHBondContact ND1-NH2 2.93Å; V174-R178 VanDerWaalsContact O-CB 3.28Å; V174-R178 WeakPolarHBondContact O-CB 3.42Å; V174-R178 PolarHBondContact O-N 2.8Å; D175-R178 PolarHBondContact O-N 3.22Å; D175-R178 IonicContact OD1-CZ 3.27Å; D175-R178 IonicContact OD1-NH1 2.76Å; D175-R178 PolarHBondContact OD1-NH1 3.21Å; D175-R178 IonicContact OD1-NH2 2.7Å; D175-R178 PolarHBondContact OD1-NH2 3.38Å; V176-R178 VanDerWaalsContact C-N 3.31Å; V176-R178 PolarHBondContact O-N 3.03Å; R178-S182 WeakPolarHBondContact O-CB 3.47Å; R178-S182 PolarHBondContact O-N 2.99Å; R178-S182 PolarHBondContact O-OG 2.89Å; R178-E225 IonicContact NH1-OE2 3.84Å; R178-E225 PolarHBondContact NH1-OE2 3.05Å; R178-E225 VanDerWaalsContact NH1-OE2 3.11Å; R178-L229 HydrophobicContact CB-CD1 3.92Å; R178-L229 HydrophobicContact CG-CD1 4.17Å |
| 179 | I | 96.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -46.4 | 177.7 | -65 | -61.2 | 0 | 0 | 0 | 111.1 | Y146 D175 V176 L181 S182 L187 L200 | Y146-I179 HydrophobicContact CD1-CB 4.43Å; Y146-I179 HydrophobicContact CD1-CG1 4.48Å; Y146-I179 HydrophobicContact CD1-CG2 3.97Å; Y146-I179 HydrophobicContact CE1-CB 4.37Å; Y146-I179 HydrophobicContact CE1-CG1 4.22Å; Y146-I179 HydrophobicContact CE1-CG2 4.4Å; Y146-I179 HydrophobicContact CG-CG2 4.31Å; D175-I179 WeakPolarHBondContact O-CG1 3.29Å; D175-I179 PolarHBondContact O-N 2.92Å; V176-I179 PolarHBondContact O-N 3.24Å; I179-L181 VanDerWaalsContact C-N 3.25Å; I179-L181 PolarHBondContact O-N 3.42Å; I179-S182 PolarHBondContact O-N 2.75Å; I179-S182 VanDerWaalsContact O-N 3.16Å; I179-L187 HydrophobicContact CD1-CD2 3.91Å; I179-L187 HydrophobicContact CG2-CD1 4.46Å; I179-L200 HydrophobicContact CG2-CD1 4.36Å |
| 180 | L | 96.8 | Very high | 95.2 | Very high | 12 Ų | 12 | 28.7 Ų | 28.7 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -28.4 | -179.5 | -69.5 | 177.7 | 0 | 0 | 0 | 113.6 | L159 V164 V176 A177 V208 | L159-L180 HydrophobicContact CD1-CD2 4.2Å; L159-L180 HydrophobicContact CD2-CD2 3.85Å; V164-L180 HydrophobicContact CG1-CD1 4.19Å; V164-L180 HydrophobicContact CG2-CD1 4.39Å; V176-L180 HydrophobicContact CG1-CD1 3.76Å; V176-L180 HydrophobicContact CG1-CG 4.25Å; V176-L180 WeakPolarHBondContact O-CB 3.19Å; V176-L180 VanDerWaalsContact O-CG 3.27Å; V176-L180 WeakPolarHBondContact O-CG 3.21Å; V176-L180 PolarHBondContact O-N 3Å; A177-L180 PolarHBondContact O-N 3.32Å; L180-V208 HydrophobicContact CB-CG2 4.34Å |
| 181 | L | 95 | Very high | 95.2 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -95.3 | -6.5 | 177.8 | -65 | 172.3 | 0 | 0 | 0 | 113.2 | A177 I179 V208 L232 Y298 C300 | A177-L181 VanDerWaalsContact O-CB 3.31Å; A177-L181 WeakPolarHBondContact O-CB 3.41Å; A177-L181 VanDerWaalsContact O-CG 3.24Å; A177-L181 WeakPolarHBondContact O-CG 3.37Å; A177-L181 PolarHBondContact O-N 3.14Å; I179-L181 VanDerWaalsContact C-N 3.25Å; I179-L181 PolarHBondContact O-N 3.42Å; L181-V208 HydrophobicContact CD1-CB 4.09Å; L181-V208 HydrophobicContact CD1-CG2 4.01Å; L181-V208 HydrophobicContact CD2-CG2 3.8Å; L181-V208 HydrophobicContact CG-CB 4.36Å; L181-V208 HydrophobicContact CG-CG2 3.72Å; L181-L232 HydrophobicContact CB-CD2 3.86Å; L181-Y298 HydrophobicContact CD2-CD1 3.93Å; L181-C300 HydrophobicContact CD1-CB 3.91Å |
| 182 | S | 93.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -79.2 | 141.2 | -175.3 | -77.9 | 0 | 0 | 0 | 0 | 112 | R178 I179 R186 L232 | R178-S182 WeakPolarHBondContact O-CB 3.47Å; R178-S182 PolarHBondContact O-N 2.99Å; R178-S182 PolarHBondContact O-OG 2.89Å; I179-S182 PolarHBondContact O-N 2.75Å; I179-S182 VanDerWaalsContact O-N 3.16Å; S182-R186 PolarHBondContact OG-NH1 2.89Å; S182-L232 VanDerWaalsContact OG-CD1 3.3Å; S182-L232 WeakPolarHBondContact OG-CD1 3.47Å |
| 183 | P | 90.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 16% | 0.162 | 13% | 0.133 | C | C | . | . | trans | -64.3 | 139.5 | 172.1 | -18.5 | 32.2 | 0 | 0 | 0 | 110.8 | D185 R186 L187 I234 | P183-D185 PolarHBondContact O-N 3.38Å; P183-R186 WeakPolarHBondContact O-CB 3.32Å; P183-R186 PolarHBondContact O-N 3.16Å; P183-L187 PolarHBondContact O-N 3.11Å; P183-I234 HydrophobicContact CG-CB 4.19Å; P183-I234 HydrophobicContact CG-CG2 3.95Å; P183-I234 WeakPolarHBondContact CG-O 3.24Å | ||
| 184 | V | 92.7 | Very high | 95.3 | Very high | 41 Ų | 41 | 28.8 Ų | 28.8 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -32.5 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | R186 L187 K188 L197 L200 | V184-R186 PolarHBondContact O-N 3.23Å; V184-L187 CarbonylContact O-C 3.49Å; V184-L187 PolarHBondContact O-N 3.4Å; V184-K188 PolarHBondContact O-N 2.89Å; V184-L197 HydrophobicContact CG1-CD2 4.36Å; V184-L200 HydrophobicContact CG2-CB 4.08Å |
| 185 | D | 91.2 | Very high | 95.2 | Very high | 119 Ų | 119 | 32.9 Ų | 32.9 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -60.7 | -29.1 | 175.1 | -81.4 | -40.1 | 0 | 0 | 0 | 114.3 | P183 K188 | P183-D185 PolarHBondContact O-N 3.38Å; D185-K188 WeakPolarHBondContact O-CE 3.22Å; D185-K188 WeakPolarHBondContact O-CG 3.42Å; D185-K188 IonicContact OD1-NZ 2.75Å; D185-K188 PolarHBondContact OD1-NZ 2.96Å |
| 186 | R | 90.8 | Very high | 95.2 | Very high | 90 Ų | 90 | 32.4 Ų | 32.4 | 34% | 0.34 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -77.3 | -43.1 | 171.9 | -179 | -179.9 | 170.7 | -138.7 | -12.2 | 110.2 | D70 S182 P183 V184 S189 | D70-R186 IonicContact OD2-CZ 2.69Å; D70-R186 IonicContact OD2-NH1 3.06Å; D70-R186 IonicContact OD2-NH2 3.31Å; D70-R186 PolarHBondContact OD2-NH2 3.41Å; S182-R186 PolarHBondContact OG-NH1 2.89Å; P183-R186 WeakPolarHBondContact O-CB 3.32Å; P183-R186 PolarHBondContact O-N 3.16Å; V184-R186 PolarHBondContact O-N 3.23Å; R186-S189 PolarHBondContact O-OG 3.22Å |
| 187 | L | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.8 | -28.8 | -173.5 | -65.5 | -176.2 | 0 | 0 | 0 | 114.2 | I179 P183 V184 S189 T190 I192 L197 L200 | I179-L187 HydrophobicContact CD1-CD2 3.91Å; I179-L187 HydrophobicContact CG2-CD1 4.46Å; P183-L187 PolarHBondContact O-N 3.11Å; V184-L187 CarbonylContact O-C 3.49Å; V184-L187 PolarHBondContact O-N 3.4Å; L187-S189 PolarHBondContact O-N 3.37Å; L187-S189 VanDerWaalsContact O-N 3.12Å; L187-T190 WeakPolarHBondContact O-CB 3.37Å; L187-T190 WeakPolarHBondContact O-CG2 3.34Å; L187-T190 PolarHBondContact O-N 3.48Å; L187-T190 PolarHBondContact O-OG1 3.4Å; L187-I192 HydrophobicContact CB-CD1 3.99Å; L187-I192 HydrophobicContact CD1-CD1 4.15Å; L187-I192 HydrophobicContact CD2-CD1 3.97Å; L187-I192 HydrophobicContact CG-CD1 4.26Å; L187-L197 HydrophobicContact CB-CD2 3.77Å; L187-L200 HydrophobicContact CD1-CD1 3.82Å |
| 188 | K | 95.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 36.6 Ų | 36.6 | 47% | 0.465 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.1 | -179 | 70 | -172.8 | 178.7 | -168.6 | 0 | 114.3 | V184 D185 T190 L197 | V184-K188 PolarHBondContact O-N 2.89Å; D185-K188 WeakPolarHBondContact O-CE 3.22Å; D185-K188 WeakPolarHBondContact O-CG 3.42Å; D185-K188 IonicContact OD1-NZ 2.75Å; D185-K188 PolarHBondContact OD1-NZ 2.96Å; K188-T190 VanDerWaalsContact C-N 3.27Å; K188-T190 PolarHBondContact O-N 2.91Å; K188-L197 HydrophobicContact CB-CD1 4.39Å |
| 189 | S | 93.8 | Very high | 95.1 | Very high | 75 Ų | 75 | 37.1 Ų | 37.1 | 52% | 0.524 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4.7 | 177 | 66.8 | 0 | 0 | 0 | 0 | 114.2 | R186 L187 P496 | R186-S189 PolarHBondContact O-OG 3.22Å; L187-S189 PolarHBondContact O-N 3.37Å; L187-S189 VanDerWaalsContact O-N 3.12Å; S189-P496 VanDerWaalsContact O-CD 3.3Å; S189-P496 WeakPolarHBondContact O-CD 3.45Å |
| 190 | T | 96.8 | Very high | 95.2 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -94.6 | -177.7 | -178.3 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | P69 D70 L187 K188 I192 | P69-T190 HydrophobicContact CB-CG2 4.42Å; P69-T190 WeakPolarHBondContact O-CB 3.11Å; D70-T190 HydrophobicContact CB-CG2 4.46Å; L187-T190 WeakPolarHBondContact O-CB 3.37Å; L187-T190 WeakPolarHBondContact O-CG2 3.34Å; L187-T190 PolarHBondContact O-N 3.48Å; L187-T190 PolarHBondContact O-OG1 3.4Å; K188-T190 VanDerWaalsContact C-N 3.27Å; K188-T190 PolarHBondContact O-N 2.91Å; T190-I192 VanDerWaalsContact C-N 3.26Å; T190-I192 PolarHBondContact O-N 2.99Å; T190-I192 WeakPolarHBondContact OG1-CD1 3.3Å; T190-I192 VanDerWaalsContact OG1-CG1 3.3Å; T190-I192 WeakPolarHBondContact OG1-CG1 3.44Å; T190-I192 PolarHBondContact OG1-N 2.53Å |
| 191 | D | 96.5 | Very high | 95.1 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -89.6 | 25.4 | 177.1 | 73 | -33.4 | 0 | 0 | 0 | 114.3 | P69 K75 R497 K499 | P69-D191 WeakPolarHBondContact CA-OD1 3.37Å; P69-D191 WeakPolarHBondContact CB-OD1 3.35Å; K75-D191 IonicContact NZ-OD1 2.98Å; K75-D191 PolarHBondContact NZ-OD1 3.14Å; K75-D191 IonicContact NZ-OD2 3.35Å; K75-D191 PolarHBondContact NZ-OD2 2.91Å; D191-R497 HydrophobicContact CB-CG 3.67Å; D191-K499 VanDerWaalsContact CG-NZ 3.27Å; D191-K499 PolarHBondContact O-NZ 3.24Å; D191-K499 IonicContact OD1-NZ 2.92Å; D191-K499 WeakPolarHBondContact OD2-CE 2.93Å; D191-K499 IonicContact OD2-NZ 3.44Å; D191-K499 PolarHBondContact OD2-NZ 3.09Å |
| 192 | I | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -69.9 | 132.1 | 172 | -68 | 170.2 | 0 | 0 | 0 | 109.5 | P69 L187 T190 V196 L197 K495 | P69-I192 HydrophobicContact CB-CD1 3.94Å; P69-I192 HydrophobicContact CB-CG1 3.47Å; P69-I192 VanDerWaalsContact CB-CG1 3.47Å; P69-I192 HydrophobicContact CG-CD1 4Å; P69-I192 HydrophobicContact CG-CG1 3.42Å; P69-I192 VanDerWaalsContact CG-CG1 3.42Å; L187-I192 HydrophobicContact CB-CD1 3.99Å; L187-I192 HydrophobicContact CD1-CD1 4.15Å; L187-I192 HydrophobicContact CD2-CD1 3.97Å; L187-I192 HydrophobicContact CG-CD1 4.26Å; T190-I192 VanDerWaalsContact C-N 3.26Å; T190-I192 PolarHBondContact O-N 2.99Å; T190-I192 WeakPolarHBondContact OG1-CD1 3.3Å; T190-I192 VanDerWaalsContact OG1-CG1 3.3Å; T190-I192 WeakPolarHBondContact OG1-CG1 3.44Å; T190-I192 PolarHBondContact OG1-N 2.53Å; I192-V196 HydrophobicContact CG2-CB 3.58Å; I192-V196 HydrophobicContact CG2-CG1 3.51Å; I192-L197 HydrophobicContact CB-CD2 4.05Å; I192-L197 HydrophobicContact CB-CG 4.15Å; I192-L197 HydrophobicContact CD1-CD2 4.4Å; I192-L197 HydrophobicContact CG2-CD2 3.84Å; I192-L197 HydrophobicContact CG2-CG 3.74Å; I192-K495 PolarHBondContact O-NZ 3.34Å | ||
| 193 | P | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -60.3 | 146.2 | 175.5 | -22.8 | 33 | 0 | 0 | 0 | 113.9 | Y146 V196 L197 E498 T501 | Y146-P193 WeakPolarHBondContact O-CD 3.41Å; P193-V196 HydrophobicContact CB-CG2 4.04Å; P193-V196 HydrophobicContact CG-CG2 4.15Å; P193-V196 WeakPolarHBondContact O-CA 3.47Å; P193-V196 WeakPolarHBondContact O-CB 3.49Å; P193-V196 PolarHBondContact O-N 3.06Å; P193-L197 PolarHBondContact O-N 3.41Å; P193-L197 VanDerWaalsContact O-N 3.08Å; P193-E498 WeakPolarHBondContact CA-OE1 3.42Å; P193-E498 VanDerWaalsContact CA-OE2 3.32Å; P193-E498 WeakPolarHBondContact CA-OE2 3.31Å; P193-T501 HydrophobicContact CB-CG2 4.18Å; P193-T501 HydrophobicContact CG-CG2 3.98Å | ||
| 194 | E | 96.8 | Very high | 95.6 | Very high | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.6 | -43.4 | 179.8 | -72.9 | -59.4 | 114.2 | 0 | 0 | 113.7 | V196 L197 D198 L493 K495 E498 | E194-V196 PolarHBondContact O-N 3.42Å; E194-V196 VanDerWaalsContact O-N 3.16Å; E194-L197 PolarHBondContact O-N 2.93Å; E194-L197 VanDerWaalsContact O-N 3.15Å; E194-L197 WeakPolarHBondContact OE1-CD1 3.15Å; E194-D198 WeakPolarHBondContact O-CB 3.49Å; E194-D198 PolarHBondContact O-N 2.82Å; E194-L493 HydrophobicContact CG-CD1 3.54Å; E194-L493 HydrophobicContact CG-CD2 4.42Å; E194-K495 IonicContact OE1-NZ 3.19Å; E194-K495 PolarHBondContact OE1-NZ 3.18Å; E194-E498 PolarHBondContact N-OE1 2.87Å; E194-E498 PolarHBondContact N-OE2 3.08Å |
| 195 | P | 95.1 | Very high | 95.8 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.8 | -27.3 | 176.8 | -24.8 | 35.8 | 0 | 0 | 0 | 113.7 | C199 | P195-C199 PolarHBondContact O-N 3.46Å |
| 196 | V | 96.6 | Very high | 96 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77 | -45.1 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 110 | W145 I192 P193 E194 D198 C199 L200 | W145-V196 HydrophobicContact CD2-CG1 3.97Å; W145-V196 HydrophobicContact CD2-CG2 4.24Å; W145-V196 HydrophobicContact CE3-CG1 3.95Å; W145-V196 HydrophobicContact CG-CG2 4.42Å; W145-V196 HydrophobicContact CH2-CG1 3.55Å; W145-V196 HydrophobicContact CZ2-CB 4.09Å; W145-V196 HydrophobicContact CZ2-CG1 3.56Å; W145-V196 HydrophobicContact CZ2-CG2 4.25Å; W145-V196 HydrophobicContact CZ3-CG1 3.74Å; W145-V196 WeakPolarHBondContact O-CG2 3.29Å; I192-V196 HydrophobicContact CG2-CB 3.58Å; I192-V196 HydrophobicContact CG2-CG1 3.51Å; P193-V196 HydrophobicContact CB-CG2 4.04Å; P193-V196 HydrophobicContact CG-CG2 4.15Å; P193-V196 WeakPolarHBondContact O-CA 3.47Å; P193-V196 WeakPolarHBondContact O-CB 3.49Å; P193-V196 PolarHBondContact O-N 3.06Å; E194-V196 PolarHBondContact O-N 3.42Å; E194-V196 VanDerWaalsContact O-N 3.16Å; V196-D198 VanDerWaalsContact C-N 3.27Å; V196-D198 PolarHBondContact O-N 2.82Å; V196-C199 WeakPolarHBondContact O-CB 3.35Å; V196-C199 PolarHBondContact O-N 3.28Å; V196-L200 HydrophobicContact CG1-CD1 3.94Å; V196-L200 HydrophobicContact CG1-CG 4.36Å; V196-L200 WeakPolarHBondContact O-CG 3.08Å; V196-L200 PolarHBondContact O-N 3.36Å |
| 197 | L | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 175 | -70 | 171.7 | 0 | 0 | 0 | 111.3 | V184 L187 K188 I192 P193 E194 L200 S201 | V184-L197 HydrophobicContact CG1-CD2 4.36Å; L187-L197 HydrophobicContact CB-CD2 3.77Å; K188-L197 HydrophobicContact CB-CD1 4.39Å; I192-L197 HydrophobicContact CB-CD2 4.05Å; I192-L197 HydrophobicContact CB-CG 4.15Å; I192-L197 HydrophobicContact CD1-CD2 4.4Å; I192-L197 HydrophobicContact CG2-CD2 3.84Å; I192-L197 HydrophobicContact CG2-CG 3.74Å; P193-L197 PolarHBondContact O-N 3.41Å; P193-L197 VanDerWaalsContact O-N 3.08Å; E194-L197 PolarHBondContact O-N 2.93Å; E194-L197 VanDerWaalsContact O-N 3.15Å; E194-L197 WeakPolarHBondContact OE1-CD1 3.15Å; L197-L200 PolarHBondContact O-N 3.12Å; L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 3.44Å |
| 198 | D | 96.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 174.9 | 177.6 | 59.9 | 0 | 0 | 0 | 111.7 | E194 V196 S201 R202 | E194-D198 WeakPolarHBondContact O-CB 3.49Å; E194-D198 PolarHBondContact O-N 2.82Å; V196-D198 VanDerWaalsContact C-N 3.27Å; V196-D198 PolarHBondContact O-N 2.82Å; D198-S201 PolarHBondContact O-N 3.4Å; D198-S201 PolarHBondContact O-OG 3.36Å; D198-R202 PolarHBondContact O-NH1 2.8Å; D198-R202 IonicContact OD1-CZ 2.8Å; D198-R202 IonicContact OD1-NH1 2.69Å; D198-R202 PolarHBondContact OD1-NH1 2.8Å; D198-R202 IonicContact OD2-CZ 3.91Å; D198-R202 IonicContact OD2-NH1 2.69Å; D198-R202 PolarHBondContact OD2-NH1 3.43Å; D198-R202 IonicContact OD2-NH2 2.7Å; D198-R202 PolarHBondContact OD2-NH2 2.91Å |
| 199 | C | 96.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.081 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 173 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | W145 P195 V196 S201 R202 S203 | W145-C199 HydrophobicContact CH2-CB 4.12Å; W145-C199 HydrophobicContact CZ2-CB 3.67Å; P195-C199 PolarHBondContact O-N 3.46Å; V196-C199 WeakPolarHBondContact O-CB 3.35Å; V196-C199 PolarHBondContact O-N 3.28Å; C199-S201 VanDerWaalsContact C-N 3.25Å; C199-S201 PolarHBondContact O-N 3.21Å; C199-R202 PolarHBondContact O-N 2.9Å; C199-R202 VanDerWaalsContact O-N 3.16Å; C199-S203 PolarHBondContact O-N 3.14Å |
| 200 | L | 96.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -33.1 | 178.6 | -70.5 | 168.8 | 0 | 0 | 0 | 111.9 | W145 L159 I179 V184 L187 V196 L197 R202 S203 | W145-L200 HydrophobicContact CH2-CD2 4.09Å; W145-L200 HydrophobicContact CH2-CG 4.01Å; W145-L200 HydrophobicContact CZ3-CD2 4.21Å; W145-L200 HydrophobicContact CZ3-CG 4.44Å; L159-L200 HydrophobicContact CD1-CD2 3.88Å; I179-L200 HydrophobicContact CG2-CD1 4.36Å; V184-L200 HydrophobicContact CG2-CB 4.08Å; L187-L200 HydrophobicContact CD1-CD1 3.82Å; V196-L200 HydrophobicContact CG1-CD1 3.94Å; V196-L200 HydrophobicContact CG1-CG 4.36Å; V196-L200 WeakPolarHBondContact O-CG 3.08Å; V196-L200 PolarHBondContact O-N 3.36Å; L197-L200 PolarHBondContact O-N 3.12Å; L200-R202 PolarHBondContact O-N 2.96Å; L200-S203 WeakPolarHBondContact O-CB 3.37Å; L200-S203 PolarHBondContact O-N 3.11Å; L200-S203 VanDerWaalsContact O-N 3.09Å |
| 201 | S | 96 | Very high | 97 | Very high | 71 Ų | 71 | 37.6 Ų | 37.6 | 50% | 0.497 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.7 | -24.8 | 178.2 | 80.6 | 0 | 0 | 0 | 0 | 113.7 | L197 D198 C199 | L197-S201 WeakPolarHBondContact O-CB 3.39Å; L197-S201 PolarHBondContact O-N 3.44Å; D198-S201 PolarHBondContact O-N 3.4Å; D198-S201 PolarHBondContact O-OG 3.36Å; C199-S201 VanDerWaalsContact C-N 3.25Å; C199-S201 PolarHBondContact O-N 3.21Å |
| 202 | R | 96.3 | Very high | 97 | Very high | 145 Ų | 145 | 37.2 Ų | 37.2 | 55% | 0.547 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 0 | 176.5 | -64.9 | -174.3 | -68.6 | -89 | -1.2 | 113.4 | D198 C199 L200 K204 | D198-R202 PolarHBondContact O-NH1 2.8Å; D198-R202 IonicContact OD1-CZ 2.8Å; D198-R202 IonicContact OD1-NH1 2.69Å; D198-R202 PolarHBondContact OD1-NH1 2.8Å; D198-R202 IonicContact OD2-CZ 3.91Å; D198-R202 IonicContact OD2-NH1 2.69Å; D198-R202 PolarHBondContact OD2-NH1 3.43Å; D198-R202 IonicContact OD2-NH2 2.7Å; D198-R202 PolarHBondContact OD2-NH2 2.91Å; C199-R202 PolarHBondContact O-N 2.9Å; C199-R202 VanDerWaalsContact O-N 3.16Å; L200-R202 PolarHBondContact O-N 2.96Å; R202-K204 PolarHBondContact O-N 2.69Å |
| 203 | S | 96.6 | Very high | 96.9 | Very high | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | trans | -58.7 | 134.2 | -179.5 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | C199 L200 V205 | C199-S203 PolarHBondContact O-N 3.14Å; L200-S203 WeakPolarHBondContact O-CB 3.37Å; L200-S203 PolarHBondContact O-N 3.11Å; L200-S203 VanDerWaalsContact O-N 3.09Å; S203-V205 WeakPolarHBondContact OG-CB 3.13Å; S203-V205 WeakPolarHBondContact OG-CG2 3.49Å; S203-V205 PolarHBondContact OG-N 2.89Å | ||
| 204 | K | 96.3 | Very high | 96.9 | Very high | 127 Ų | 127 | 47 Ų | 47 | 55% | 0.552 | 23% | 0.228 | S | C | * | . | trans | -99.3 | 1.2 | 171.2 | -65.4 | -173.4 | -179.9 | 174.8 | 0 | 112.5 | L159 S160 C161 E162 R202 K206 | L159-K204 PolarHBondContact O-N 3.08Å; S160-K204 WeakPolarHBondContact O-CD 3.35Å; C161-K204 CarbonylContact O-C 3.49Å; C161-K204 VanDerWaalsContact O-C 3.29Å; E162-K204 WeakPolarHBondContact CA-O 3.3Å; R202-K204 PolarHBondContact O-N 2.69Å; K204-K206 PolarHBondContact O-N 3.24Å | ||
| 205 | V | 96.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | trans | -63.7 | 122.9 | -176.4 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | L159 C161 V164 S203 V208 | L159-V205 HydrophobicContact CB-CG2 4.4Å; L159-V205 HydrophobicContact CD2-CG2 4.48Å; C161-V205 WeakPolarHBondContact O-CA 3.41Å; C161-V205 WeakPolarHBondContact O-CG2 3.42Å; C161-V205 PolarHBondContact O-N 2.75Å; V164-V205 HydrophobicContact CG2-CB 4.39Å; V164-V205 HydrophobicContact CG2-CG1 3.77Å; V164-V205 HydrophobicContact CG2-CG2 3.64Å; S203-V205 WeakPolarHBondContact OG-CB 3.13Å; S203-V205 WeakPolarHBondContact OG-CG2 3.49Å; S203-V205 PolarHBondContact OG-N 2.89Å; V205-V208 HydrophobicContact CG1-CG2 3.82Å | ||
| 206 | K | 94.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 39.4 Ų | 39.4 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | trans | -120.5 | -26.2 | 174.5 | -66.4 | 170.1 | -172.7 | 161 | 0 | 111.9 | E162 K204 Y298 H299 | E162-K206 PolarHBondContact O-N 2.77Å; E162-K206 IonicContact OE1-NZ 2.83Å; E162-K206 PolarHBondContact OE1-NZ 2.81Å; K204-K206 PolarHBondContact O-N 3.24Å; K206-Y298 HydrophobicContact CB-CD1 4.41Å; K206-Y298 HydrophobicContact CG-CE1 4.36Å; K206-Y298 CarbonylContact O-C 3.53Å; K206-Y298 VanDerWaalsContact O-CA 3.28Å; K206-Y298 WeakPolarHBondContact O-CA 3.48Å; K206-H299 PolarHBondContact O-N 3.08Å | ||
| 207 | N | 97.3 | Very high | 96.8 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 19% | 0.193 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.3 | -175.8 | -54.8 | -69.8 | 0 | 0 | 0 | 109.7 | E162 T163 V164 H299 | E162-N207 PolarHBondContact O-N 3.23Å; T163-N207 CarbonylContact C-O 3.49Å; T163-N207 VanDerWaalsContact CA-O 3.29Å; T163-N207 WeakPolarHBondContact CA-O 3.36Å; T163-N207 HydrophobicContact CG2-CB 4.1Å; V164-N207 PolarHBondContact N-O 3.28Å; N207-H299 WeakPolarHBondContact CA-O 3.36Å; N207-H299 PolarHBondContact OD1-CD2 2.99Å |
| 208 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122 | 169.5 | 180 | 0 | 0 | 0 | 0 | 108.4 | V164 I166 A177 L180 L181 V205 L210 H299 C300 N301 | V164-V208 HydrophobicContact CB-CG2 4.38Å; V164-V208 CarbonylContact O-C 3.46Å; V164-V208 WeakPolarHBondContact O-CA 3.42Å; I166-V208 HydrophobicContact CD1-CG1 3.42Å; I166-V208 VanDerWaalsContact CD1-CG1 3.42Å; I166-V208 HydrophobicContact CG1-CG1 3.78Å; A177-V208 HydrophobicContact CB-CB 4.33Å; A177-V208 HydrophobicContact CB-CG1 3.67Å; L180-V208 HydrophobicContact CB-CG2 4.34Å; L181-V208 HydrophobicContact CD1-CB 4.09Å; L181-V208 HydrophobicContact CD1-CG2 4.01Å; L181-V208 HydrophobicContact CD2-CG2 3.8Å; L181-V208 HydrophobicContact CG-CB 4.36Å; L181-V208 HydrophobicContact CG-CG2 3.72Å; V205-V208 HydrophobicContact CG1-CG2 3.82Å; V208-L210 HydrophobicContact CG1-CD1 3.9Å; V208-H299 PolarHBondContact N-O 3.18Å; V208-C300 CarbonylContact O-C 3.55Å; V208-C300 VanDerWaalsContact O-CA 3.28Å; V208-C300 WeakPolarHBondContact O-CA 3.47Å; V208-N301 PolarHBondContact O-N 3.14Å |
| 209 | T | 98.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 108.4 | 179.9 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | V164 A165 I166 I211 N301 Q303 L357 | V164-T209 PolarHBondContact O-N 3.49Å; A165-T209 CarbonylContact C-O 3.48Å; A165-T209 WeakPolarHBondContact CA-O 3.47Å; I166-T209 PolarHBondContact N-O 3.44Å; T209-I211 HydrophobicContact CG2-CG1 4.2Å; T209-N301 CarbonylContact C-O 3.26Å; T209-N301 WeakPolarHBondContact CA-O 3.42Å; T209-N301 HydrophobicContact CG2-CB 4.09Å; T209-N301 PolarHBondContact OG1-ND2 3.16Å; T209-Q303 HydrophobicContact CG2-CB 3.8Å; T209-Q303 VanDerWaalsContact CG2-OE1 3.3Å; T209-L357 HydrophobicContact CG2-CD2 3.86Å |
| 210 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.8 | 169.4 | -79 | 66.2 | 0 | 0 | 0 | 108.8 | I166 M169 A173 V174 A177 V208 N301 L302 Q303 | I166-L210 HydrophobicContact CB-CD1 4.41Å; I166-L210 HydrophobicContact CB-CG 4.28Å; I166-L210 HydrophobicContact CD1-CD1 4.28Å; I166-L210 CarbonylContact O-C 3.59Å; I166-L210 VanDerWaalsContact O-CA 3.29Å; I166-L210 WeakPolarHBondContact O-CA 3.41Å; M169-L210 HydrophobicContact CE-CB 3.86Å; M169-L210 WeakPolarHBondContact CE-O 3.4Å; M169-L210 HydrophobicContact SD-CB 3.84Å; M169-L210 HydrophobicContact SD-CD2 4.31Å; A173-L210 HydrophobicContact CB-CD2 3.98Å; A173-L210 HydrophobicContact CB-CG 4.37Å; V174-L210 HydrophobicContact CG2-CD2 4.03Å; A177-L210 HydrophobicContact CB-CD1 3.83Å; V208-L210 HydrophobicContact CG1-CD1 3.9Å; L210-N301 PolarHBondContact N-O 3.3Å; L210-L302 HydrophobicContact CB-CD2 3.99Å; L210-L302 HydrophobicContact CD2-CD2 3.89Å; L210-L302 HydrophobicContact CG-CD2 4.37Å; L210-Q303 PolarHBondContact O-N 2.84Å |
| 211 | I | 98.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 121.3 | -176.6 | -60.8 | 162.8 | 0 | 0 | 0 | 108.7 | A165 I166 I167 G168 T209 Q303 R306 I329 L331 L357 | A165-I211 HydrophobicContact CB-CD1 3.94Å; I166-I211 PolarHBondContact O-N 2.88Å; I167-I211 HydrophobicContact CG1-CD1 4.3Å; G168-I211 PolarHBondContact N-O 2.94Å; T209-I211 HydrophobicContact CG2-CG1 4.2Å; I211-Q303 WeakPolarHBondContact CA-O 3.34Å; I211-R306 HydrophobicContact CG2-CB 3.86Å; I211-I329 HydrophobicContact CD1-CD1 4.49Å; I211-I329 HydrophobicContact CD1-CG2 4.31Å; I211-L331 HydrophobicContact CD1-CD1 4.19Å; I211-L331 HydrophobicContact CD1-CD2 4Å; I211-L331 HydrophobicContact CG1-CD1 4.45Å; I211-L331 HydrophobicContact CG2-CD2 4.23Å; I211-L357 HydrophobicContact CD1-CD2 4.01Å |
| 212 | G | 97.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | trans | -123.4 | 128.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R214 Q303 F304 L305 R306 | G212-R214 PolarHBondContact O-N 3.45Å; G212-Q303 PolarHBondContact N-O 2.93Å; G212-F304 CarbonylContact O-C 3.58Å; G212-F304 VanDerWaalsContact O-C 3.26Å; G212-F304 WeakPolarHBondContact O-CA 3.47Å; G212-L305 PolarHBondContact O-N 3.4Å; G212-R306 CarbonylContact C-O 3.49Å; G212-R306 PolarHBondContact O-N 2.75Å | ||
| 213 | R | 96.3 | Very high | 96.5 | Very high | 121 Ų | 121 | 32.5 Ų | 32.5 | 46% | 0.457 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -68.1 | -16.3 | 176.5 | 59 | 170 | 179.4 | -174 | -2 | 115.2 | R306 F307 V334 | R213-R306 WeakPolarHBondContact CA-O 3.3Å; R213-R306 PolarHBondContact N-O 2.76Å; R213-F307 HydrophobicContact CB-CD2 4.35Å; R213-V334 VanDerWaalsContact O-CG1 3.23Å; R213-V334 WeakPolarHBondContact O-CG1 3.33Å |
| 214 | R | 96.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 34.7 Ų | 34.7 | 32% | 0.317 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -122.3 | -175.8 | -176 | -72.9 | -177.7 | -65.8 | -136.5 | 5.8 | 110.8 | G212 H218 F304 L305 L336 C346 | G212-R214 PolarHBondContact O-N 3.45Å; R214-H218 HydrophobicContact CB-CB 3.62Å; R214-H218 HydrophobicContact CG-CB 4.39Å; R214-F304 WeakPolarHBondContact O-CB 3.44Å; R214-F304 WeakPolarHBondContact O-CD1 3.34Å; R214-L305 PolarHBondContact O-N 2.94Å; R214-L336 HydrophobicContact CB-CD2 4.3Å; R214-L336 HydrophobicContact CG-CD2 4Å; R214-C346 HydrophobicContact CG-CB 4.09Å |
| 215 | G | 95.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | trans | -87.2 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L217 H218 | G215-L217 PolarHBondContact O-N 2.83Å; G215-L217 VanDerWaalsContact O-N 3.09Å; G215-H218 WeakPolarHBondContact O-CB 3.11Å; G215-H218 PolarHBondContact O-N 2.64Å; G215-H218 PolarHBondContact O-ND1 3.29Å | ||
| 216 | P | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -53.4 | -30.7 | -178.8 | -27.2 | 33.2 | 0 | 0 | 0 | 114.7 | H218 V219 V250 F251 M255 L279 F304 | P216-H218 PolarHBondContact O-N 3.12Å; P216-V219 WeakPolarHBondContact O-CG2 3.35Å; P216-V250 HydrophobicContact CG-CG1 3.92Å; P216-V250 HydrophobicContact CG-CG2 3.97Å; P216-F251 HydrophobicContact CB-CD1 4.46Å; P216-F251 HydrophobicContact CB-CE1 3.76Å; P216-F251 HydrophobicContact CB-CZ 3.9Å; P216-F251 HydrophobicContact CG-CD1 4.33Å; P216-F251 HydrophobicContact CG-CE1 3.96Å; P216-F251 HydrophobicContact CG-CE2 4.23Å; P216-F251 HydrophobicContact CG-CZ 3.91Å; P216-M255 HydrophobicContact CB-CE 3.95Å; P216-L279 HydrophobicContact CB-CD1 4.23Å; P216-F304 HydrophobicContact CB-CE1 4.44Å; P216-F304 HydrophobicContact CB-CZ 4.24Å; P216-F304 HydrophobicContact CG-CD1 4.45Å; P216-F304 HydrophobicContact CG-CD2 4.14Å; P216-F304 HydrophobicContact CG-CE1 4.25Å; P216-F304 HydrophobicContact CG-CE2 3.92Å; P216-F304 HydrophobicContact CG-CG 4.4Å; P216-F304 HydrophobicContact CG-CZ 3.97Å |
| 217 | L | 94.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -61 | -26 | 176.9 | -166 | 59.7 | 0 | 0 | 0 | 113.3 | G215 M255 L264 L268 R272 G341 | G215-L217 PolarHBondContact O-N 2.83Å; G215-L217 VanDerWaalsContact O-N 3.09Å; L217-M255 HydrophobicContact CB-CE 3.74Å; L217-M255 HydrophobicContact CD1-CE 4.37Å; L217-L264 HydrophobicContact CD2-CD2 4.1Å; L217-L268 HydrophobicContact CD1-CD1 3.67Å; L217-L268 HydrophobicContact CD1-CD2 4.07Å; L217-R272 HydrophobicContact CD1-CG 4.5Å; L217-R272 PolarHBondContact O-NH1 3.07Å; L217-G341 VanDerWaalsContact CD2-CA 3.45Å |
| 218 | H | 95.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 12% | 0.116 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -104.1 | 6.3 | -168.2 | -54.5 | 87.3 | 0 | 0 | 0 | 114.2 | R214 G215 P216 G341 Q344 | R214-H218 HydrophobicContact CB-CB 3.62Å; R214-H218 HydrophobicContact CG-CB 4.39Å; G215-H218 WeakPolarHBondContact O-CB 3.11Å; G215-H218 PolarHBondContact O-N 2.64Å; G215-H218 PolarHBondContact O-ND1 3.29Å; P216-H218 PolarHBondContact O-N 3.12Å; H218-G341 PolarHBondContact NE2-O 3.1Å; H218-G341 VanDerWaalsContact NE2-O 3.16Å; H218-Q344 PolarHBondContact CE1-OE1 3.18Å; H218-Q344 VanDerWaalsContact CE1-OE1 3.27Å |
| 219 | V | 96.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | trans | -60 | 145.3 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | M169 P216 F221 R272 L275 L279 F304 | M169-V219 HydrophobicContact CB-CG1 4.49Å; P216-V219 WeakPolarHBondContact O-CG2 3.35Å; V219-F221 HydrophobicContact CB-CD1 3.84Å; V219-F221 HydrophobicContact CB-CD2 4.44Å; V219-F221 HydrophobicContact CB-CE1 3.51Å; V219-F221 HydrophobicContact CB-CE2 4.16Å; V219-F221 HydrophobicContact CB-CG 4.29Å; V219-F221 HydrophobicContact CB-CZ 3.69Å; V219-F221 HydrophobicContact CG1-CD1 4.26Å; V219-F221 HydrophobicContact CG1-CE1 3.47Å; V219-F221 VanDerWaalsContact CG1-CE1 3.47Å; V219-F221 HydrophobicContact CG1-CZ 3.62Å; V219-F221 HydrophobicContact CG2-CD1 4.43Å; V219-F221 HydrophobicContact CG2-CD2 4.16Å; V219-F221 HydrophobicContact CG2-CE1 4.07Å; V219-F221 HydrophobicContact CG2-CE2 3.78Å; V219-F221 HydrophobicContact CG2-CG 4.47Å; V219-F221 HydrophobicContact CG2-CZ 3.73Å; V219-R272 PolarHBondContact O-NH1 3.29Å; V219-R272 PolarHBondContact O-NH2 2.94Å; V219-L275 HydrophobicContact CG2-CD2 3.71Å; V219-L275 HydrophobicContact CG2-CG 4.39Å; V219-L279 HydrophobicContact CG2-CD1 4.32Å; V219-F304 HydrophobicContact CG1-CE1 3.63Å; V219-F304 HydrophobicContact CG1-CZ 4.2Å | ||
| 220 | A | 95 | Very high | 95.1 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 60% | 0.603 | 17% | 0.167 | S | C | * | . | trans | -98.1 | -17.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M169 | M169-A220 CarbonylContact O-C 3.47Å; M169-A220 WeakPolarHBondContact O-CA 3.34Å; M169-A220 WeakPolarHBondContact O-CB 3.44Å; M169-A220 PolarHBondContact O-N 2.84Å | ||
| 221 | F | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -64.9 | 149.6 | 174.4 | 59.8 | -108.9 | 0 | 0 | 0 | 111.8 | M169 N171 V174 V219 I226 L275 L279 L302 | M169-F221 HydrophobicContact CB-CD1 4.43Å; M169-F221 WeakPolarHBondContact O-CD1 3.3Å; M169-F221 PolarHBondContact O-N 3.28Å; M169-F221 HydrophobicContact SD-CE1 4.22Å; N171-F221 VanDerWaalsContact OD1-CA 3.24Å; N171-F221 WeakPolarHBondContact OD1-CA 3.49Å; V174-F221 HydrophobicContact CG2-CB 3.8Å; V174-F221 HydrophobicContact CG2-CD1 3.95Å; V174-F221 HydrophobicContact CG2-CG 3.99Å; V219-F221 HydrophobicContact CB-CD1 3.84Å; V219-F221 HydrophobicContact CB-CD2 4.44Å; V219-F221 HydrophobicContact CB-CE1 3.51Å; V219-F221 HydrophobicContact CB-CE2 4.16Å; V219-F221 HydrophobicContact CB-CG 4.29Å; V219-F221 HydrophobicContact CB-CZ 3.69Å; V219-F221 HydrophobicContact CG1-CD1 4.26Å; V219-F221 HydrophobicContact CG1-CE1 3.47Å; V219-F221 VanDerWaalsContact CG1-CE1 3.47Å; V219-F221 HydrophobicContact CG1-CZ 3.62Å; V219-F221 HydrophobicContact CG2-CD1 4.43Å; V219-F221 HydrophobicContact CG2-CD2 4.16Å; V219-F221 HydrophobicContact CG2-CE1 4.07Å; V219-F221 HydrophobicContact CG2-CE2 3.78Å; V219-F221 HydrophobicContact CG2-CG 4.47Å; V219-F221 HydrophobicContact CG2-CZ 3.73Å; F221-I226 HydrophobicContact CD2-CB 3.86Å; F221-I226 HydrophobicContact CD2-CG2 4.08Å; F221-I226 HydrophobicContact CE2-CB 3.73Å; F221-I226 HydrophobicContact CE2-CD1 4.49Å; F221-I226 HydrophobicContact CE2-CG1 3.96Å; F221-I226 HydrophobicContact CE2-CG2 3.9Å; F221-I226 HydrophobicContact CZ-CG1 4.39Å; F221-L275 HydrophobicContact CD2-CD1 4.23Å; F221-L275 HydrophobicContact CE2-CD1 3.9Å; F221-L275 WeakPolarHBondContact O-CD2 3.38Å; F221-L279 HydrophobicContact CE2-CD1 4.33Å; F221-L279 HydrophobicContact CE2-CD2 4.2Å; F221-L279 HydrophobicContact CZ-CD1 4.18Å; F221-L279 HydrophobicContact CZ-CD2 4.14Å; F221-L302 HydrophobicContact CE1-CD1 4.45Å; F221-L302 HydrophobicContact CZ-CD1 4.19Å |
| 222 | T | 94.5 | Very high | 93.8 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | trans | -85.4 | 162.7 | 176.8 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | N171 K224 E225 I226 | N171-T222 PolarHBondContact OD1-N 3.38Å; T222-K224 PolarHBondContact O-N 3.16Å; T222-K224 PolarHBondContact OG1-N 2.68Å; T222-E225 PolarHBondContact O-N 3.32Å; T222-I226 PolarHBondContact O-N 3.41Å | ||
| 223 | L | 95.5 | Very high | 92.6 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -28.4 | 174.6 | 179.1 | 56.7 | 0 | 0 | 0 | 113.1 | I226 R227 R274 L275 F278 | L223-I226 HydrophobicContact CD1-CG2 4.34Å; L223-R227 WeakPolarHBondContact O-CB 3.3Å; L223-R227 PolarHBondContact O-N 2.78Å; L223-R274 HydrophobicContact CD2-CB 3.86Å; L223-L275 HydrophobicContact CB-CB 4.45Å; L223-L275 HydrophobicContact CB-CD1 4.13Å; L223-L275 HydrophobicContact CD1-CD1 4.18Å; L223-F278 HydrophobicContact CD1-CB 3.64Å; L223-F278 HydrophobicContact CD1-CD1 3.69Å; L223-F278 HydrophobicContact CD1-CD2 4.33Å; L223-F278 HydrophobicContact CD1-CE1 4.43Å; L223-F278 HydrophobicContact CD1-CG 3.62Å |
| 224 | K | 93.1 | Very high | 91.2 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 34% | 0.339 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.4 | -55.4 | 177 | -175.3 | -170.6 | 174.6 | -166.6 | 0 | 109.8 | E73 T222 I226 R227 E228 | E73-K224 IonicContact OE1-NZ 3.25Å; E73-K224 PolarHBondContact OE1-NZ 3.37Å; T222-K224 PolarHBondContact O-N 3.16Å; T222-K224 PolarHBondContact OG1-N 2.68Å; K224-I226 PolarHBondContact O-N 3.32Å; K224-R227 PolarHBondContact O-N 3.47Å; K224-E228 WeakPolarHBondContact CE-OE1 3.38Å; K224-E228 WeakPolarHBondContact CG-OE1 3.49Å; K224-E228 PolarHBondContact O-N 3.12Å |
| 225 | E | 94.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | -172.6 | -56.4 | -46.3 | 142.9 | 0 | 0 | 112.9 | H71 N171 V174 D175 R178 T222 R227 E228 L229 | H71-E225 IonicContact CE1-OE2 2.6Å; H71-E225 PolarHBondContact CE1-OE2 3.46Å; H71-E225 IonicContact NE2-OE2 2.72Å; N171-E225 HydrophobicContact CB-CG 3.9Å; N171-E225 VanDerWaalsContact OD1-CG 3.27Å; N171-E225 WeakPolarHBondContact OD1-CG 3.5Å; V174-E225 HydrophobicContact CB-CB 4.18Å; V174-E225 HydrophobicContact CG1-CB 3.81Å; D175-E225 VanDerWaalsContact OD1-OE2 3.13Å; R178-E225 IonicContact NH1-OE2 3.84Å; R178-E225 PolarHBondContact NH1-OE2 3.05Å; R178-E225 VanDerWaalsContact NH1-OE2 3.11Å; T222-E225 PolarHBondContact O-N 3.32Å; E225-R227 VanDerWaalsContact C-N 3.29Å; E225-R227 PolarHBondContact O-N 2.86Å; E225-E228 PolarHBondContact O-N 3.03Å; E225-L229 PolarHBondContact O-N 3.09Å; E225-L229 VanDerWaalsContact O-N 3.07Å |
| 226 | I | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.2 | -32.1 | -179.3 | -169.3 | 58.8 | 0 | 0 | 0 | 112.1 | F221 T222 L223 K224 L229 S230 I243 L275 F278 L279 L302 | F221-I226 HydrophobicContact CD2-CB 3.86Å; F221-I226 HydrophobicContact CD2-CG2 4.08Å; F221-I226 HydrophobicContact CE2-CB 3.73Å; F221-I226 HydrophobicContact CE2-CD1 4.49Å; F221-I226 HydrophobicContact CE2-CG1 3.96Å; F221-I226 HydrophobicContact CE2-CG2 3.9Å; F221-I226 HydrophobicContact CZ-CG1 4.39Å; T222-I226 PolarHBondContact O-N 3.41Å; L223-I226 HydrophobicContact CD1-CG2 4.34Å; K224-I226 PolarHBondContact O-N 3.32Å; I226-L229 HydrophobicContact CD1-CD2 4.23Å; I226-S230 PolarHBondContact O-N 2.98Å; I226-I243 HydrophobicContact CD1-CD1 4.27Å; I226-L275 HydrophobicContact CG2-CD1 3.9Å; I226-F278 HydrophobicContact CG1-CE1 4.4Å; I226-F278 HydrophobicContact CG2-CD1 3.97Å; I226-F278 HydrophobicContact CG2-CE1 3.97Å; I226-L279 HydrophobicContact CG1-CD2 4.12Å; I226-L302 HydrophobicContact CD1-CD1 4.15Å |
| 227 | R | 93.3 | Very high | 85 | Confident | 106 Ų | 106 | 46.9 Ų | 46.9 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 176.9 | -179.4 | -178.4 | -65.1 | 177 | -3.5 | 111.2 | L223 K224 E225 S230 K231 F278 | L223-R227 WeakPolarHBondContact O-CB 3.3Å; L223-R227 PolarHBondContact O-N 2.78Å; K224-R227 PolarHBondContact O-N 3.47Å; E225-R227 VanDerWaalsContact C-N 3.29Å; E225-R227 PolarHBondContact O-N 2.86Å; R227-S230 PolarHBondContact O-N 3.44Å; R227-S230 PolarHBondContact O-OG 2.89Å; R227-K231 WeakPolarHBondContact O-CG 2.98Å; R227-K231 PolarHBondContact O-N 2.99Å; R227-F278 HydrophobicContact CB-CE1 4.28Å; R227-F278 HydrophobicContact CB-CZ 4.1Å; R227-F278 HydrophobicContact CG-CZ 4.22Å |
| 228 | E | 92.1 | Very high | 83 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.1 | -40 | 177.4 | -74.7 | 164.2 | 173.7 | 0 | 0 | 111.6 | H71 K224 E225 S230 K231 L232 | H71-E228 IonicContact CD2-OE2 2.71Å; H71-E228 IonicContact CE1-OE2 2.71Å; H71-E228 IonicContact NE2-OE1 3.66Å; H71-E228 IonicContact NE2-OE2 3.32Å; H71-E228 PolarHBondContact NE2-OE2 3.39Å; K224-E228 WeakPolarHBondContact CE-OE1 3.38Å; K224-E228 WeakPolarHBondContact CG-OE1 3.49Å; K224-E228 PolarHBondContact O-N 3.12Å; E225-E228 PolarHBondContact O-N 3.03Å; E228-S230 VanDerWaalsContact C-N 3.27Å; E228-S230 PolarHBondContact O-N 3.02Å; E228-K231 PolarHBondContact O-N 3.07Å; E228-K231 VanDerWaalsContact O-N 3.09Å; E228-L232 PolarHBondContact O-N 3.2Å |
| 229 | L | 92 | Very high | 81 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 170.7 | -175.9 | 64 | 0 | 0 | 0 | 111.7 | V174 R178 E225 I226 K231 L232 I243 C300 | V174-L229 HydrophobicContact CG1-CB 4.16Å; V174-L229 HydrophobicContact CG1-CD2 4.14Å; R178-L229 HydrophobicContact CB-CD1 3.92Å; R178-L229 HydrophobicContact CG-CD1 4.17Å; E225-L229 PolarHBondContact O-N 3.09Å; E225-L229 VanDerWaalsContact O-N 3.07Å; I226-L229 HydrophobicContact CD1-CD2 4.23Å; L229-K231 PolarHBondContact O-N 3.22Å; L229-L232 HydrophobicContact CD1-CD2 4.41Å; L229-L232 VanDerWaalsContact O-CB 3.24Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 2.99Å; L229-I243 HydrophobicContact CB-CD1 4.22Å; L229-I243 HydrophobicContact CD2-CD1 4.09Å; L229-I243 HydrophobicContact CD2-CG1 4.49Å; L229-I243 HydrophobicContact CG-CD1 3.85Å; L229-I243 HydrophobicContact CG-CG1 4.42Å; L229-C300 HydrophobicContact CD2-CB 4.09Å; L229-C300 VanDerWaalsContact CD2-SG 3.6Å |
| 230 | S | 89.3 | Confident | 79.8 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.7 | -16.9 | 178.3 | 76.9 | 0 | 0 | 0 | 0 | 114.5 | I226 R227 E228 I243 | I226-S230 PolarHBondContact O-N 2.98Å; R227-S230 PolarHBondContact O-N 3.44Å; R227-S230 PolarHBondContact O-OG 2.89Å; E228-S230 VanDerWaalsContact C-N 3.27Å; E228-S230 PolarHBondContact O-N 3.02Å; S230-I243 VanDerWaalsContact CA-CD1 3.46Å |
| 231 | K | 87.5 | Confident | 79.3 | Confident | 136 Ų | 136 | 54.3 Ų | 54.3 | 59% | 0.591 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 6.4 | 178.2 | -68.8 | 176.3 | 176 | -171.4 | 0 | 112.5 | R227 E228 L229 H233 | R227-K231 WeakPolarHBondContact O-CG 2.98Å; R227-K231 PolarHBondContact O-N 2.99Å; E228-K231 PolarHBondContact O-N 3.07Å; E228-K231 VanDerWaalsContact O-N 3.09Å; L229-K231 PolarHBondContact O-N 3.22Å; K231-H233 PolarHBondContact O-CD2 3.45Å; K231-H233 VanDerWaalsContact O-CD2 3.29Å; K231-H233 PolarHBondContact O-N 3.21Å |
| 232 | L | 83.6 | Confident | 79 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | -68.5 | 105.2 | 179.9 | -177 | 66.4 | 0 | 0 | 0 | 110 | L181 S182 E228 L229 I234 C241 | L181-L232 HydrophobicContact CB-CD2 3.86Å; S182-L232 VanDerWaalsContact OG-CD1 3.3Å; S182-L232 WeakPolarHBondContact OG-CD1 3.47Å; E228-L232 PolarHBondContact O-N 3.2Å; L229-L232 HydrophobicContact CD1-CD2 4.41Å; L229-L232 VanDerWaalsContact O-CB 3.24Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 2.99Å; L232-I234 HydrophobicContact CD2-CG1 4.38Å; L232-I234 HydrophobicContact CG-CG1 4.12Å; L232-C241 HydrophobicContact CB-CB 4.08Å; L232-C241 HydrophobicContact CD2-CB 4.15Å; L232-C241 HydrophobicContact CG-CB 4.39Å | ||
| 233 | H | 72.7 | Confident | 78.9 | Confident | 123 Ų | 123 | 54.9 Ų | 54.9 | 57% | 0.569 | 28% | 0.281 | S | S | * | . | B | Isolated β-bridge | trans | -88.7 | 122.5 | 168.6 | -63.7 | -68.2 | 0 | 0 | 0 | 108.9 | K231 | K231-H233 PolarHBondContact O-CD2 3.45Å; K231-H233 VanDerWaalsContact O-CD2 3.29Å; K231-H233 PolarHBondContact O-N 3.21Å |
| 234 | I | 65.3 | Low | 78.9 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -92.5 | -14.5 | -168.5 | -56.7 | 179 | 0 | 0 | 0 | 112.3 | P183 L232 S239 C241 Y298 | P183-I234 HydrophobicContact CG-CB 4.19Å; P183-I234 HydrophobicContact CG-CG2 3.95Å; P183-I234 WeakPolarHBondContact CG-O 3.24Å; L232-I234 HydrophobicContact CD2-CG1 4.38Å; L232-I234 HydrophobicContact CG-CG1 4.12Å; I234-S239 WeakPolarHBondContact CB-O 2.98Å; I234-S239 PolarHBondContact N-O 2.88Å; I234-C241 HydrophobicContact CD1-CB 3.86Å; I234-C241 HydrophobicContact CG1-CB 4.43Å; I234-Y298 HydrophobicContact CB-CD2 4.27Å; I234-Y298 HydrophobicContact CB-CE2 4.33Å; I234-Y298 HydrophobicContact CD1-CD1 4.08Å; I234-Y298 HydrophobicContact CD1-CD2 3.28Å; I234-Y298 HydrophobicContact CD1-CE2 4.09Å; I234-Y298 HydrophobicContact CD1-CG 3.28Å; I234-Y298 HydrophobicContact CG1-CD2 4.35Å; I234-Y298 HydrophobicContact CG2-CD2 3.7Å; I234-Y298 HydrophobicContact CG2-CE1 4.37Å; I234-Y298 HydrophobicContact CG2-CE2 3.36Å; I234-Y298 HydrophobicContact CG2-CG 4.35Å | ||
| 235 | T | 56.1 | Low | 79 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 29% | 0.288 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -145.4 | 160.7 | 174.9 | 53.5 | 0 | 0 | 0 | 0 | 109.4 | S237 S239 | T235-S237 PolarHBondContact O-N 2.97Å; T235-S237 VanDerWaalsContact O-N 3.13Å; T235-S237 PolarHBondContact OG1-N 3.29Å; T235-S237 PolarHBondContact OG1-O 3.36Å; T235-S237 PolarHBondContact OG1-OG 3.07Å; T235-S239 VanDerWaalsContact OG1-CB 3.31Å; T235-S239 WeakPolarHBondContact OG1-CB 3.18Å; T235-S239 PolarHBondContact OG1-N 2.82Å; T235-S239 VanDerWaalsContact OG1-N 3.13Å; T235-S239 PolarHBondContact OG1-OG 2.59Å |
| 236 | S | 54.5 | Low | 79.1 | Confident | 140 Ų | 140 | 52.7 Ų | 52.7 | 98% | 0.979 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -56.4 | -18.7 | 163 | 44.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 237 | S | 48 | Very low | 79.2 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -111.9 | 66.9 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | T235 S239 Y295 | T235-S237 PolarHBondContact O-N 2.97Å; T235-S237 VanDerWaalsContact O-N 3.13Å; T235-S237 PolarHBondContact OG1-N 3.29Å; T235-S237 PolarHBondContact OG1-O 3.36Å; T235-S237 PolarHBondContact OG1-OG 3.07Å; S237-S239 VanDerWaalsContact C-N 3.27Å; S237-S239 PolarHBondContact O-N 3.27Å; S237-Y295 VanDerWaalsContact OG-CE1 3.25Å; S237-Y295 WeakPolarHBondContact OG-CE1 3.13Å |
| 238 | Q | 52.8 | Low | 79.2 | Confident | 173 Ų | 173 | 54.5 Ų | 54.5 | 81% | 0.808 | 29% | 0.288 | S | S | * | . | trans | 49.5 | 24.4 | 159.1 | -65.2 | -175.8 | -13.6 | 0 | 0 | 118.9 | N240 | Q238-N240 PolarHBondContact O-N 2.75Š| ||
| 239 | S | 54.2 | Low | 79.3 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -71.7 | 116.2 | 167 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | I234 T235 S237 Y295 | I234-S239 WeakPolarHBondContact CB-O 2.98Å; I234-S239 PolarHBondContact N-O 2.88Å; T235-S239 VanDerWaalsContact OG1-CB 3.31Å; T235-S239 WeakPolarHBondContact OG1-CB 3.18Å; T235-S239 PolarHBondContact OG1-N 2.82Å; T235-S239 VanDerWaalsContact OG1-N 3.13Å; T235-S239 PolarHBondContact OG1-OG 2.59Å; S237-S239 VanDerWaalsContact C-N 3.27Å; S237-S239 PolarHBondContact O-N 3.27Å; S239-Y295 VanDerWaalsContact OG-CB 3.28Å; S239-Y295 WeakPolarHBondContact OG-CB 3.24Å | ||
| 240 | N | 70.6 | Confident | 79.4 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -92.7 | 136.3 | -179.1 | -67.8 | -29.2 | 0 | 0 | 0 | 111.2 | Q238 F242 | Q238-N240 PolarHBondContact O-N 2.75Å; N240-F242 HydrophobicContact CB-CE2 4.09Å; N240-F242 HydrophobicContact CB-CZ 4.1Å; N240-F242 VanDerWaalsContact O-CD2 3.29Å; N240-F242 WeakPolarHBondContact O-CD2 3.37Å; N240-F242 WeakPolarHBondContact O-CE2 3.16Å; N240-F242 PolarHBondContact O-N 3.31Å |
| 241 | C | 85.1 | Confident | 79.7 | Confident | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 112 | 159.5 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | L232 I234 | L232-C241 HydrophobicContact CB-CB 4.08Å; L232-C241 HydrophobicContact CD2-CB 4.15Å; L232-C241 HydrophobicContact CG-CB 4.39Å; I234-C241 HydrophobicContact CD1-CB 3.86Å; I234-C241 HydrophobicContact CG1-CB 4.43Å |
| 242 | F | 89.2 | Confident | 80 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.2 | 177.3 | -67.3 | -86.5 | 0 | 0 | 0 | 110.2 | N240 H288 V297 Y298 H299 C300 | N240-F242 HydrophobicContact CB-CE2 4.09Å; N240-F242 HydrophobicContact CB-CZ 4.1Å; N240-F242 VanDerWaalsContact O-CD2 3.29Å; N240-F242 WeakPolarHBondContact O-CD2 3.37Å; N240-F242 WeakPolarHBondContact O-CE2 3.16Å; N240-F242 PolarHBondContact O-N 3.31Å; F242-H288 HydrophobicContact CD1-CB 4.42Å; F242-H288 AromaticContact CD1-CD2 3.9Å; F242-H288 HydrophobicContact CE1-CB 3.92Å; F242-H288 AromaticContact CE1-CD2 3.77Å; F242-H288 AromaticContact CE1-CG 3.79Å; F242-V297 HydrophobicContact CD2-CG1 3.42Å; F242-V297 VanDerWaalsContact CD2-CG1 3.42Å; F242-V297 HydrophobicContact CE2-CG1 3.52Å; F242-Y298 PolarHBondContact N-O 3.49Å; F242-H299 WeakPolarHBondContact O-CA 3.1Å; F242-C300 PolarHBondContact O-N 3.25Å |
| 243 | I | 92.6 | Very high | 80.5 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 113.8 | 176.1 | -57.1 | 173.3 | 0 | 0 | 0 | 109.2 | I226 L229 S230 L245 M282 C300 L302 | I226-I243 HydrophobicContact CD1-CD1 4.27Å; L229-I243 HydrophobicContact CB-CD1 4.22Å; L229-I243 HydrophobicContact CD2-CD1 4.09Å; L229-I243 HydrophobicContact CD2-CG1 4.49Å; L229-I243 HydrophobicContact CG-CD1 3.85Å; L229-I243 HydrophobicContact CG-CG1 4.42Å; S230-I243 VanDerWaalsContact CA-CD1 3.46Å; I243-L245 HydrophobicContact CG2-CD1 4.32Å; I243-M282 HydrophobicContact CB-CE 3.4Å; I243-M282 VanDerWaalsContact CB-CE 3.4Å; I243-M282 HydrophobicContact CD1-CE 3.47Å; I243-M282 VanDerWaalsContact CD1-CE 3.47Å; I243-M282 HydrophobicContact CG1-CE 4Å; I243-M282 HydrophobicContact CG2-CE 3.43Å; I243-M282 VanDerWaalsContact CG2-CE 3.43Å; I243-C300 CarbonylContact C-O 3.52Å; I243-C300 VanDerWaalsContact CA-O 3.27Å; I243-C300 WeakPolarHBondContact CA-O 3.45Å; I243-C300 HydrophobicContact CG1-CB 4.28Å; I243-L302 HydrophobicContact CG2-CD1 4.21Å; I243-L302 HydrophobicContact CG2-CG 4.2Å |
| 244 | N | 94.9 | Very high | 81.5 | Confident | 31 Ų | 31 | 49 Ų | 49 | 17% | 0.166 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.6 | -179.7 | -63.5 | -50.9 | 0 | 0 | 0 | 110.5 | L246 H299 C300 N301 L302 | N244-L246 HydrophobicContact CB-CG 4.41Å; N244-H299 PolarHBondContact ND2-ND1 3.18Å; N244-C300 PolarHBondContact N-O 3.06Å; N244-N301 WeakPolarHBondContact CB-OD1 2.97Å; N244-N301 PolarHBondContact ND2-OD1 2.75Å; N244-N301 CarbonylContact O-C 3.57Å; N244-L302 PolarHBondContact O-N 2.82Å |
| 245 | L | 96.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.7 | 170.1 | -75.6 | 76.5 | 0 | 0 | 0 | 108.7 | I243 F251 L279 M282 H283 L302 F304 | I243-L245 HydrophobicContact CG2-CD1 4.32Å; L245-F251 HydrophobicContact CD2-CE2 3.6Å; L245-F251 HydrophobicContact CD2-CZ 3.77Å; L245-L279 HydrophobicContact CD2-CB 4.04Å; L245-L279 HydrophobicContact CD2-CD2 4.35Å; L245-M282 HydrophobicContact CD1-CB 4.46Å; L245-H283 HydrophobicContact CD2-CB 4.41Å; L245-L302 HydrophobicContact CD1-CD1 4.3Å; L245-L302 HydrophobicContact CG-CB 4.43Å; L245-L302 HydrophobicContact CG-CD1 4.22Å; L245-F304 HydrophobicContact CB-CE2 4.13Å; L245-F304 HydrophobicContact CD2-CE2 4.04Å; L245-F304 HydrophobicContact CG-CE2 3.95Å |
| 246 | L | 96.7 | Very high | 84.6 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.4 | -174.1 | -59.6 | 177.6 | 0 | 0 | 0 | 111.1 | N244 N301 L302 F304 | N244-L246 HydrophobicContact CB-CG 4.41Å; L246-N301 HydrophobicContact CD1-CB 4.05Å; L246-L302 PolarHBondContact N-O 2.98Å; L246-F304 WeakPolarHBondContact O-CB 3.43Å; L246-F304 WeakPolarHBondContact O-CD2 3.5Å; L246-F304 PolarHBondContact O-N 3.01Å |
| 247 | P | 95.5 | Very high | 86.5 | Confident | 33 Ų | 33 | 45 Ų | 45 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | S | Bend | cis | -69.4 | 166.4 | -4.2 | 32.7 | -38.3 | 0 | 0 | 0 | 112.7 | D249 V250 | P247-D249 VanDerWaalsContact CB-OD1 3.27Å; P247-D249 WeakPolarHBondContact CB-OD1 3.41Å; P247-D249 VanDerWaalsContact CG-OD1 3.3Å; P247-D249 WeakPolarHBondContact CG-OD1 3.38Å; P247-D249 PolarHBondContact O-N 2.94Å; P247-V250 HydrophobicContact CG-CB 4.15Å; P247-V250 WeakPolarHBondContact O-CB 3.3Å; P247-V250 WeakPolarHBondContact O-CG1 3.43Å; P247-V250 PolarHBondContact O-N 3.33Å |
| 248 | K | 93.4 | Very high | 88.6 | Confident | 112 Ų | 112 | 47.2 Ų | 47.2 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.5 | -175.5 | -72 | -71.5 | -174.8 | 172.3 | 0 | 113.8 | H283 | K248-H283 PolarHBondContact O-CE1 2.95Å; K248-H283 PolarHBondContact O-NE2 3.3Å; K248-H283 VanDerWaalsContact O-NE2 3.08Å |
| 249 | D | 94.3 | Very high | 90.6 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 13.7 | 175.9 | 62.6 | -18.8 | 0 | 0 | 0 | 112.3 | P247 F251 S252 V253 | P247-D249 VanDerWaalsContact CB-OD1 3.27Å; P247-D249 WeakPolarHBondContact CB-OD1 3.41Å; P247-D249 VanDerWaalsContact CG-OD1 3.3Å; P247-D249 WeakPolarHBondContact CG-OD1 3.38Å; P247-D249 PolarHBondContact O-N 2.94Å; D249-F251 VanDerWaalsContact C-N 3.27Å; D249-F251 PolarHBondContact O-N 3.23Å; D249-F251 VanDerWaalsContact O-N 3.16Å; D249-S252 PolarHBondContact O-N 3.15Å; D249-S252 VanDerWaalsContact O-N 3.13Å; D249-S252 PolarHBondContact O-OG 3.4Å; D249-V253 HydrophobicContact CB-CG2 4.18Å; D249-V253 WeakPolarHBondContact O-CB 3.37Å; D249-V253 VanDerWaalsContact O-CG2 3.32Å; D249-V253 WeakPolarHBondContact O-CG2 3.08Å; D249-V253 PolarHBondContact O-N 3.28Å; D249-V253 WeakPolarHBondContact OD2-CG2 3.08Å |
| 250 | V | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.6 | -36.8 | -170.7 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | P216 P247 T254 F304 | P216-V250 HydrophobicContact CG-CG1 3.92Å; P216-V250 HydrophobicContact CG-CG2 3.97Å; P247-V250 HydrophobicContact CG-CB 4.15Å; P247-V250 WeakPolarHBondContact O-CB 3.3Å; P247-V250 WeakPolarHBondContact O-CG1 3.43Å; P247-V250 PolarHBondContact O-N 3.33Å; V250-T254 HydrophobicContact CG2-CG2 4.18Å; V250-T254 WeakPolarHBondContact O-CB 3.46Å; V250-T254 VanDerWaalsContact O-CG2 3.27Å; V250-T254 WeakPolarHBondContact O-CG2 3.37Å; V250-T254 PolarHBondContact O-N 2.65Å; V250-T254 PolarHBondContact O-OG1 2.93Å; V250-F304 HydrophobicContact CB-CD2 4.48Å; V250-F304 HydrophobicContact CG1-CD2 4.2Å; V250-F304 HydrophobicContact CG2-CB 3.65Å; V250-F304 HydrophobicContact CG2-CD2 3.89Å; V250-F304 HydrophobicContact CG2-CG 3.95Å |
| 251 | F | 95.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.7 | -48.4 | 178 | -74.7 | -84.4 | 0 | 0 | 0 | 111.3 | P216 L245 D249 V253 T254 M255 I261 L279 L280 H283 | P216-F251 HydrophobicContact CB-CD1 4.46Å; P216-F251 HydrophobicContact CB-CE1 3.76Å; P216-F251 HydrophobicContact CB-CZ 3.9Å; P216-F251 HydrophobicContact CG-CD1 4.33Å; P216-F251 HydrophobicContact CG-CE1 3.96Å; P216-F251 HydrophobicContact CG-CE2 4.23Å; P216-F251 HydrophobicContact CG-CZ 3.91Å; L245-F251 HydrophobicContact CD2-CE2 3.6Å; L245-F251 HydrophobicContact CD2-CZ 3.77Å; D249-F251 VanDerWaalsContact C-N 3.27Å; D249-F251 PolarHBondContact O-N 3.23Å; D249-F251 VanDerWaalsContact O-N 3.16Å; F251-V253 VanDerWaalsContact C-N 3.31Å; F251-V253 PolarHBondContact O-N 2.87Å; F251-T254 PolarHBondContact O-N 3.18Å; F251-M255 HydrophobicContact CD1-CE 3.87Å; F251-M255 HydrophobicContact CD1-SD 3.76Å; F251-M255 HydrophobicContact CE1-CE 3.96Å; F251-M255 HydrophobicContact CE1-SD 4.33Å; F251-M255 WeakPolarHBondContact O-CA 3.46Å; F251-M255 WeakPolarHBondContact O-CB 3.49Å; F251-M255 PolarHBondContact O-N 2.95Å; F251-I261 HydrophobicContact CB-CD1 4.24Å; F251-L279 HydrophobicContact CZ-CB 3.88Å; F251-L280 HydrophobicContact CB-CD2 4.15Å; F251-L280 HydrophobicContact CD1-CD2 3.23Å; F251-L280 HydrophobicContact CD1-CG 3.79Å; F251-L280 HydrophobicContact CD2-CD2 4.08Å; F251-L280 HydrophobicContact CE1-CD2 3.49Å; F251-L280 VanDerWaalsContact CE1-CD2 3.49Å; F251-L280 HydrophobicContact CE1-CG 3.53Å; F251-L280 HydrophobicContact CE2-CD2 4.3Å; F251-L280 HydrophobicContact CG-CD2 3.55Å; F251-L280 HydrophobicContact CG-CG 4.5Å; F251-L280 HydrophobicContact CZ-CD2 4.02Å; F251-L280 HydrophobicContact CZ-CG 4.05Å; F251-H283 HydrophobicContact CD2-CB 4.09Å; F251-H283 AromaticContact CD2-CD2 3.53Å; F251-H283 AromaticContact CD2-CG 3.62Å; F251-H283 AromaticContact CD2-ND1 3.98Å; F251-H283 AromaticContact CD2-NE2 3.81Å; F251-H283 HydrophobicContact CE2-CB 3.54Å; F251-H283 AromaticContact CE2-CD2 3.93Å; F251-H283 AromaticContact CE2-CG 3.53Å; F251-H283 AromaticContact CE2-ND1 3.94Å; F251-H283 HydrophobicContact CZ-CB 4.41Å |
| 252 | S | 94.5 | Very high | 94 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 49% | 0.49 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 177.1 | 43.5 | 0 | 0 | 0 | 0 | 112.7 | D249 T254 G256 | D249-S252 PolarHBondContact O-N 3.15Å; D249-S252 VanDerWaalsContact O-N 3.13Å; D249-S252 PolarHBondContact O-OG 3.4Å; S252-T254 VanDerWaalsContact C-N 3.34Å; S252-T254 PolarHBondContact O-N 3.44Å; S252-G256 WeakPolarHBondContact CA-O 3.3Å; S252-G256 WeakPolarHBondContact O-CA 3.27Å; S252-G256 PolarHBondContact O-N 2.96Å; S252-G256 VanDerWaalsContact O-N 3.09Å |
| 253 | V | 93.2 | Very high | 94.3 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 179.6 | 170.6 | 0 | 0 | 0 | 0 | 112.3 | D249 F251 L305 | D249-V253 HydrophobicContact CB-CG2 4.18Å; D249-V253 WeakPolarHBondContact O-CB 3.37Å; D249-V253 VanDerWaalsContact O-CG2 3.32Å; D249-V253 WeakPolarHBondContact O-CG2 3.08Å; D249-V253 PolarHBondContact O-N 3.28Å; D249-V253 WeakPolarHBondContact OD2-CG2 3.08Å; F251-V253 VanDerWaalsContact C-N 3.31Å; F251-V253 PolarHBondContact O-N 2.87Å; V253-L305 HydrophobicContact CG1-CD1 3.83Å |
| 254 | T | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -103.7 | -26.7 | -171.9 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | V250 F251 S252 L305 L336 Q344 | V250-T254 HydrophobicContact CG2-CG2 4.18Å; V250-T254 WeakPolarHBondContact O-CB 3.46Å; V250-T254 VanDerWaalsContact O-CG2 3.27Å; V250-T254 WeakPolarHBondContact O-CG2 3.37Å; V250-T254 PolarHBondContact O-N 2.65Å; V250-T254 PolarHBondContact O-OG1 2.93Å; F251-T254 PolarHBondContact O-N 3.18Å; S252-T254 VanDerWaalsContact C-N 3.34Å; S252-T254 PolarHBondContact O-N 3.44Å; T254-L305 HydrophobicContact CG2-CD1 3.91Å; T254-L305 HydrophobicContact CG2-CD2 3.97Å; T254-L305 HydrophobicContact CG2-CG 4.26Å; T254-L336 HydrophobicContact CG2-CD1 3.72Å; T254-Q344 PolarHBondContact O-NE2 3.31Å; T254-Q344 PolarHBondContact O-OE1 3.48Å |
| 255 | M | 93.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -120.3 | -10.8 | -175 | -57.6 | 178.2 | -171.7 | 0 | 0 | 113.5 | P216 L217 F251 I261 L264 T276 | P216-M255 HydrophobicContact CB-CE 3.95Å; L217-M255 HydrophobicContact CB-CE 3.74Å; L217-M255 HydrophobicContact CD1-CE 4.37Å; F251-M255 HydrophobicContact CD1-CE 3.87Å; F251-M255 HydrophobicContact CD1-SD 3.76Å; F251-M255 HydrophobicContact CE1-CE 3.96Å; F251-M255 HydrophobicContact CE1-SD 4.33Å; F251-M255 WeakPolarHBondContact O-CA 3.46Å; F251-M255 WeakPolarHBondContact O-CB 3.49Å; F251-M255 PolarHBondContact O-N 2.95Å; M255-I261 HydrophobicContact CB-CD1 4.4Å; M255-I261 HydrophobicContact CB-CG1 3.7Å; M255-L264 HydrophobicContact CB-CD2 4.19Å; M255-L264 HydrophobicContact CG-CD2 4.05Å; M255-L264 HydrophobicContact SD-CD2 4.33Å; M255-T276 HydrophobicContact CE-CG2 3.77Å; M255-T276 HydrophobicContact SD-CG2 4.17Å |
| 256 | G | 92.8 | Very high | 94.2 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 22% | 0.216 | 33% | 0.334 | C | S | . | . | trans | 92.1 | -158.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S252 | S252-G256 WeakPolarHBondContact CA-O 3.3Å; S252-G256 WeakPolarHBondContact O-CA 3.27Å; S252-G256 PolarHBondContact O-N 2.96Å; S252-G256 VanDerWaalsContact O-N 3.09Å | ||
| 257 | T | 93.7 | Very high | 94 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -65.1 | 165 | -179.3 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | N259 Q260 I261 | T257-N259 PolarHBondContact O-N 3.24Å; T257-Q260 WeakPolarHBondContact O-CB 3.32Å; T257-Q260 PolarHBondContact O-N 3.32Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.32Å; T257-Q260 PolarHBondContact OG1-OE1 2.73Å; T257-I261 WeakPolarHBondContact O-CG1 3.37Å; T257-I261 PolarHBondContact O-N 3.22Å |
| 258 | S | 92.3 | Very high | 94 | Very high | 86 Ų | 86 | 63.4 Ų | 63.4 | 60% | 0.601 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.4 | -41.5 | 177.6 | -52.3 | 0 | 0 | 0 | 0 | 113 | Q260 I261 E262 | S258-Q260 PolarHBondContact O-N 3.02Å; S258-I261 PolarHBondContact O-N 3.18Å; S258-E262 WeakPolarHBondContact O-CG 3.42Å; S258-E262 PolarHBondContact O-N 3.06Å |
| 259 | N | 93.9 | Very high | 94 | Very high | 123 Ų | 123 | 62.3 Ų | 62.3 | 66% | 0.658 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 177.3 | -65.2 | -3.6 | 0 | 0 | 0 | 112 | T257 I261 E262 E263 | T257-N259 PolarHBondContact O-N 3.24Å; N259-I261 VanDerWaalsContact C-N 3.34Å; N259-E262 PolarHBondContact O-N 3.05Å; N259-E263 PolarHBondContact O-N 3.44Å |
| 260 | Q | 93.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 177.5 | -67.6 | 171.9 | -66.5 | 0 | 0 | 111.8 | T257 S258 L264 | T257-Q260 WeakPolarHBondContact O-CB 3.32Å; T257-Q260 PolarHBondContact O-N 3.32Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.32Å; T257-Q260 PolarHBondContact OG1-OE1 2.73Å; S258-Q260 PolarHBondContact O-N 3.02Å; Q260-L264 WeakPolarHBondContact O-CB 3.4Å; Q260-L264 PolarHBondContact O-N 3.1Å |
| 261 | I | 94 | Very high | 93.9 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 174.1 | -68.2 | 169.2 | 0 | 0 | 0 | 110.3 | F251 M255 T257 S258 N259 L264 L265 L280 | F251-I261 HydrophobicContact CB-CD1 4.24Å; M255-I261 HydrophobicContact CB-CD1 4.4Å; M255-I261 HydrophobicContact CB-CG1 3.7Å; T257-I261 WeakPolarHBondContact O-CG1 3.37Å; T257-I261 PolarHBondContact O-N 3.22Å; S258-I261 PolarHBondContact O-N 3.18Å; N259-I261 VanDerWaalsContact C-N 3.34Å; I261-L264 PolarHBondContact O-N 3.41Å; I261-L265 HydrophobicContact CG2-CD1 4Å; I261-L265 HydrophobicContact CG2-CG 4.34Å; I261-L265 WeakPolarHBondContact O-CB 3.44Å; I261-L265 WeakPolarHBondContact O-CG 3.17Å; I261-L265 PolarHBondContact O-N 3.33Å; I261-L280 HydrophobicContact CG2-CD1 3.74Å; I261-L280 HydrophobicContact CG2-CD2 4.43Å |
| 262 | E | 94.5 | Very high | 93.9 | Very high | 134 Ų | 134 | 74.1 Ų | 74.1 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 178.6 | -72.8 | 177.8 | -174.7 | 0 | 0 | 112.3 | S258 N259 L265 S266 | S258-E262 WeakPolarHBondContact O-CG 3.42Å; S258-E262 PolarHBondContact O-N 3.06Å; N259-E262 PolarHBondContact O-N 3.05Å; E262-L265 PolarHBondContact O-N 3.38Å; E262-S266 PolarHBondContact O-N 3.24Å; E262-S266 VanDerWaalsContact O-N 3.14Å |
| 263 | E | 94.4 | Very high | 94 | Very high | 120 Ų | 120 | 74.9 Ų | 74.9 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.2 | -51.7 | 174.8 | -175.2 | 176.7 | -165.7 | 0 | 0 | 110.9 | N259 L265 S266 E267 | N259-E263 PolarHBondContact O-N 3.44Å; E263-L265 VanDerWaalsContact C-N 3.33Å; E263-L265 PolarHBondContact O-N 2.85Å; E263-S266 WeakPolarHBondContact O-CB 3.25Å; E263-S266 PolarHBondContact O-N 3.22Å; E263-S266 PolarHBondContact O-OG 3.18Å; E263-E267 PolarHBondContact O-N 2.77Å |
| 264 | L | 93.7 | Very high | 94.2 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 178.1 | 178.8 | 66 | 0 | 0 | 0 | 112 | L217 M255 Q260 I261 S266 E267 L268 A340 | L217-L264 HydrophobicContact CD2-CD2 4.1Å; M255-L264 HydrophobicContact CB-CD2 4.19Å; M255-L264 HydrophobicContact CG-CD2 4.05Å; M255-L264 HydrophobicContact SD-CD2 4.33Å; Q260-L264 WeakPolarHBondContact O-CB 3.4Å; Q260-L264 PolarHBondContact O-N 3.1Å; I261-L264 PolarHBondContact O-N 3.41Å; L264-S266 VanDerWaalsContact C-N 3.25Å; L264-S266 PolarHBondContact O-N 3.47Å; L264-E267 PolarHBondContact O-N 3.1Å; L264-L268 HydrophobicContact CG-CD1 4.38Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.44Å; L264-L268 PolarHBondContact O-N 2.9Å; L264-A340 HydrophobicContact CD2-CB 4.3Å |
| 265 | L | 94.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 77 Ų | 77 | 13% | 0.131 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | 178.1 | -75.2 | 173.6 | 0 | 0 | 0 | 112.2 | I261 E262 E263 E267 L268 R273 T276 E277 L280 | I261-L265 HydrophobicContact CG2-CD1 4Å; I261-L265 HydrophobicContact CG2-CG 4.34Å; I261-L265 WeakPolarHBondContact O-CB 3.44Å; I261-L265 WeakPolarHBondContact O-CG 3.17Å; I261-L265 PolarHBondContact O-N 3.33Å; E262-L265 PolarHBondContact O-N 3.38Å; E263-L265 VanDerWaalsContact C-N 3.33Å; E263-L265 PolarHBondContact O-N 2.85Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 3.48Å; L265-L268 HydrophobicContact CD2-CD1 4.25Å; L265-L268 PolarHBondContact O-N 3.44Å; L265-R273 HydrophobicContact CB-CG 4.33Å; L265-R273 HydrophobicContact CD2-CG 4.16Å; L265-R273 VanDerWaalsContact O-CD 3.24Å; L265-R273 WeakPolarHBondContact O-CD 3.48Å; L265-R273 WeakPolarHBondContact O-CG 3.34Å; L265-R273 PolarHBondContact O-NE 3.07Å; L265-T276 HydrophobicContact CD2-CG2 3.68Å; L265-E277 HydrophobicContact CD1-CG 4.27Å; L265-E277 HydrophobicContact CD2-CG 4.15Å; L265-L280 HydrophobicContact CD1-CD1 3.82Å |
| 266 | S | 93.9 | Very high | 94.4 | Very high | 85 Ų | 85 | 76.8 Ų | 76.8 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65 | -33.2 | 179.5 | 81.3 | 0 | 0 | 0 | 0 | 112.7 | E262 E263 L264 | E262-S266 PolarHBondContact O-N 3.24Å; E262-S266 VanDerWaalsContact O-N 3.14Å; E263-S266 WeakPolarHBondContact O-CB 3.25Å; E263-S266 PolarHBondContact O-N 3.22Å; E263-S266 PolarHBondContact O-OG 3.18Å; L264-S266 VanDerWaalsContact C-N 3.25Å; L264-S266 PolarHBondContact O-N 3.47Å |
| 267 | E | 93.2 | Very high | 94.6 | Very high | 143 Ų | 143 | 79.9 Ų | 79.9 | 67% | 0.668 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -84.4 | -20.5 | -179.2 | -61.1 | -173 | 156.6 | 0 | 0 | 113.4 | E263 L264 L265 | E263-E267 PolarHBondContact O-N 2.77Å; L264-E267 PolarHBondContact O-N 3.1Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 3.48Å |
| 268 | L | 93.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -69.3 | 139.7 | -175.8 | -74.2 | 171.6 | 0 | 0 | 0 | 112.7 | L217 L264 L265 R270 R272 R273 | L217-L268 HydrophobicContact CD1-CD1 3.67Å; L217-L268 HydrophobicContact CD1-CD2 4.07Å; L264-L268 HydrophobicContact CG-CD1 4.38Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.44Å; L264-L268 PolarHBondContact O-N 2.9Å; L265-L268 HydrophobicContact CD2-CD1 4.25Å; L265-L268 PolarHBondContact O-N 3.44Å; L268-R270 PolarHBondContact O-N 2.76Å; L268-R272 HydrophobicContact CD1-CG 4.19Å; L268-R272 HydrophobicContact CD2-CG 3.94Å; L268-R272 HydrophobicContact CG-CG 4.45Å; L268-R273 HydrophobicContact CB-CB 4.02Å |
| 269 | P | 94.4 | Very high | 94.9 | Very high | 90 Ų | 90 | 73.7 Ų | 73.7 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | trans | -52.5 | 139.9 | 168.9 | -26.1 | 34 | 0 | 0 | 0 | 111.2 | P271 R272 R273 | P269-P271 VanDerWaalsContact C-CD 3.41Å; P269-P271 VanDerWaalsContact C-N 3.32Å; P269-R272 PolarHBondContact O-N 3.34Å; P269-R273 PolarHBondContact O-N 2.91Å | ||
| 270 | R | 95.4 | Very high | 95 | Very high | 154 Ų | 154 | 69 Ų | 69 | 58% | 0.581 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -46.3 | -43.9 | -172.3 | -173.4 | -175 | -174.1 | -169.8 | 6.5 | 114.6 | L268 R274 | L268-R270 PolarHBondContact O-N 2.76Å; R270-R274 WeakPolarHBondContact O-CG 3.34Å; R270-R274 PolarHBondContact O-N 2.89Å; R270-R274 VanDerWaalsContact O-N 3.16Å |
| 271 | P | 92.3 | Very high | 94.9 | Very high | 103 Ų | 103 | 71.3 Ų | 71.3 | 67% | 0.669 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 178 | -22.8 | 35.2 | 0 | 0 | 0 | 113.2 | P269 L275 | P269-P271 VanDerWaalsContact C-CD 3.41Å; P269-P271 VanDerWaalsContact C-N 3.32Å; P271-L275 PolarHBondContact O-N 2.85Å |
| 272 | R | 94.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 71.6 Ų | 71.6 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.2 | -43.1 | 179.9 | -177.2 | 57.8 | 59.2 | 166.7 | -8.4 | 111 | L217 V219 L268 P269 R274 L275 T276 | L217-R272 HydrophobicContact CD1-CG 4.5Å; L217-R272 PolarHBondContact O-NH1 3.07Å; V219-R272 PolarHBondContact O-NH1 3.29Å; V219-R272 PolarHBondContact O-NH2 2.94Å; L268-R272 HydrophobicContact CD1-CG 4.19Å; L268-R272 HydrophobicContact CD2-CG 3.94Å; L268-R272 HydrophobicContact CG-CG 4.45Å; P269-R272 PolarHBondContact O-N 3.34Å; R272-R274 PolarHBondContact O-N 3.16Å; R272-L275 WeakPolarHBondContact O-CB 3.34Å; R272-L275 PolarHBondContact O-N 2.07Å; R272-T276 PolarHBondContact O-N 3.13Å; R272-T276 PolarHBondContact O-OG1 3.39Å; R272-T276 VanDerWaalsContact O-OG1 3.07Å |
| 273 | R | 96.3 | Very high | 94.6 | Very high | 85 Ų | 85 | 66.8 Ų | 66.8 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.5 | -53.2 | 176.5 | -169.4 | -166 | -26.8 | 153.1 | 4.4 | 112.1 | L265 L268 P269 L275 T276 E277 | L265-R273 HydrophobicContact CB-CG 4.33Å; L265-R273 HydrophobicContact CD2-CG 4.16Å; L265-R273 VanDerWaalsContact O-CD 3.24Å; L265-R273 WeakPolarHBondContact O-CD 3.48Å; L265-R273 WeakPolarHBondContact O-CG 3.34Å; L265-R273 PolarHBondContact O-NE 3.07Å; L268-R273 HydrophobicContact CB-CB 4.02Å; P269-R273 PolarHBondContact O-N 2.91Å; R273-L275 PolarHBondContact O-N 3.28Å; R273-T276 PolarHBondContact O-N 3.06Å; R273-T276 VanDerWaalsContact O-N 3.11Å; R273-E277 VanDerWaalsContact CD-OE1 3.26Å; R273-E277 WeakPolarHBondContact CD-OE1 3.38Å; R273-E277 HydrophobicContact CG-CG 4.31Å; R273-E277 WeakPolarHBondContact CG-OE1 3.41Å; R273-E277 WeakPolarHBondContact O-CB 3.12Å; R273-E277 WeakPolarHBondContact O-CG 3.36Å; R273-E277 PolarHBondContact O-N 3.02Å |
| 274 | R | 97.3 | Very high | 94.3 | Very high | 124 Ų | 124 | 66.7 Ų | 66.7 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | -180 | -74.9 | 176.6 | 163.3 | -169.4 | -10.6 | 113.1 | L223 R270 R272 F278 | L223-R274 HydrophobicContact CD2-CB 3.86Å; R270-R274 WeakPolarHBondContact O-CG 3.34Å; R270-R274 PolarHBondContact O-N 2.89Å; R270-R274 VanDerWaalsContact O-N 3.16Å; R272-R274 PolarHBondContact O-N 3.16Å; R274-F278 WeakPolarHBondContact O-CB 3.47Å; R274-F278 PolarHBondContact O-N 2.96Å; R274-F278 VanDerWaalsContact O-N 3.16Å |
| 275 | L | 97 | Very high | 93.8 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.3 | -50.2 | 175.1 | 177 | 58.1 | 0 | 0 | 0 | 111.1 | V219 F221 L223 I226 P271 R272 R273 E277 F278 L279 | V219-L275 HydrophobicContact CG2-CD2 3.71Å; V219-L275 HydrophobicContact CG2-CG 4.39Å; F221-L275 HydrophobicContact CD2-CD1 4.23Å; F221-L275 HydrophobicContact CE2-CD1 3.9Å; F221-L275 WeakPolarHBondContact O-CD2 3.38Å; L223-L275 HydrophobicContact CB-CB 4.45Å; L223-L275 HydrophobicContact CB-CD1 4.13Å; L223-L275 HydrophobicContact CD1-CD1 4.18Å; I226-L275 HydrophobicContact CG2-CD1 3.9Å; P271-L275 PolarHBondContact O-N 2.85Å; R272-L275 WeakPolarHBondContact O-CB 3.34Å; R272-L275 PolarHBondContact O-N 2.07Å; R273-L275 PolarHBondContact O-N 3.28Å; L275-E277 PolarHBondContact O-N 3.21Å; L275-F278 WeakPolarHBondContact O-CB 3.45Å; L275-F278 PolarHBondContact O-N 3.27Å; L275-L279 HydrophobicContact CD1-CD1 4.49Å; L275-L279 HydrophobicContact CD1-CG 4.42Å; L275-L279 HydrophobicContact CG-CD1 4.49Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.49Å |
| 276 | T | 96.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 179 | -53 | 0 | 0 | 0 | 0 | 111.8 | M255 L265 R272 R273 F278 L279 L280 | M255-T276 HydrophobicContact CE-CG2 3.77Å; M255-T276 HydrophobicContact SD-CG2 4.17Å; L265-T276 HydrophobicContact CD2-CG2 3.68Å; R272-T276 PolarHBondContact O-N 3.13Å; R272-T276 PolarHBondContact O-OG1 3.39Å; R272-T276 VanDerWaalsContact O-OG1 3.07Å; R273-T276 PolarHBondContact O-N 3.06Å; R273-T276 VanDerWaalsContact O-N 3.11Å; T276-F278 VanDerWaalsContact C-N 3.29Å; T276-F278 PolarHBondContact O-N 2.79Å; T276-L279 PolarHBondContact O-N 2.92Å; T276-L280 HydrophobicContact CG2-CD1 4.22Å; T276-L280 WeakPolarHBondContact O-CG 3.23Å; T276-L280 PolarHBondContact O-N 3.33Å |
| 277 | E | 96.7 | Very high | 90.6 | Very high | 86 Ų | 86 | 71.9 Ų | 71.9 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.8 | -42.2 | 174.4 | -74 | 168.2 | 173.4 | 0 | 0 | 111.9 | L265 R273 L275 L280 K281 | L265-E277 HydrophobicContact CD1-CG 4.27Å; L265-E277 HydrophobicContact CD2-CG 4.15Å; R273-E277 VanDerWaalsContact CD-OE1 3.26Å; R273-E277 WeakPolarHBondContact CD-OE1 3.38Å; R273-E277 HydrophobicContact CG-CG 4.31Å; R273-E277 WeakPolarHBondContact CG-OE1 3.41Å; R273-E277 WeakPolarHBondContact O-CB 3.12Å; R273-E277 WeakPolarHBondContact O-CG 3.36Å; R273-E277 PolarHBondContact O-N 3.02Å; L275-E277 PolarHBondContact O-N 3.21Å; E277-L280 PolarHBondContact O-N 2.83Å; E277-K281 WeakPolarHBondContact O-CB 3.31Å; E277-K281 PolarHBondContact O-N 3.32Å |
| 278 | F | 96.5 | Very high | 88.8 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 177.6 | -176.6 | -105.1 | 0 | 0 | 0 | 111.8 | L223 I226 R227 R274 L275 T276 K281 M282 | L223-F278 HydrophobicContact CD1-CB 3.64Å; L223-F278 HydrophobicContact CD1-CD1 3.69Å; L223-F278 HydrophobicContact CD1-CD2 4.33Å; L223-F278 HydrophobicContact CD1-CE1 4.43Å; L223-F278 HydrophobicContact CD1-CG 3.62Å; I226-F278 HydrophobicContact CG1-CE1 4.4Å; I226-F278 HydrophobicContact CG2-CD1 3.97Å; I226-F278 HydrophobicContact CG2-CE1 3.97Å; R227-F278 HydrophobicContact CB-CE1 4.28Å; R227-F278 HydrophobicContact CB-CZ 4.1Å; R227-F278 HydrophobicContact CG-CZ 4.22Å; R274-F278 WeakPolarHBondContact O-CB 3.47Å; R274-F278 PolarHBondContact O-N 2.96Å; R274-F278 VanDerWaalsContact O-N 3.16Å; L275-F278 WeakPolarHBondContact O-CB 3.45Å; L275-F278 PolarHBondContact O-N 3.27Å; T276-F278 VanDerWaalsContact C-N 3.29Å; T276-F278 PolarHBondContact O-N 2.79Å; F278-K281 PolarHBondContact O-N 2.71Å; F278-M282 HydrophobicContact CD1-CG 4.48Å; F278-M282 HydrophobicContact CD1-SD 3.64Å; F278-M282 HydrophobicContact CE1-CG 4.18Å; F278-M282 HydrophobicContact CE1-SD 3.17Å; F278-M282 WeakPolarHBondContact CE1-SD 3.5Å; F278-M282 HydrophobicContact CZ-CG 4.27Å; F278-M282 HydrophobicContact CZ-SD 3.71Å; F278-M282 WeakPolarHBondContact O-CG 3.39Å; F278-M282 PolarHBondContact O-N 3.33Å |
| 279 | L | 96 | Very high | 86.5 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.5 | -65.5 | 178 | 0 | 0 | 0 | 112 | P216 V219 F221 I226 L245 F251 L275 T276 M282 H283 L302 | P216-L279 HydrophobicContact CB-CD1 4.23Å; V219-L279 HydrophobicContact CG2-CD1 4.32Å; F221-L279 HydrophobicContact CE2-CD1 4.33Å; F221-L279 HydrophobicContact CE2-CD2 4.2Å; F221-L279 HydrophobicContact CZ-CD1 4.18Å; F221-L279 HydrophobicContact CZ-CD2 4.14Å; I226-L279 HydrophobicContact CG1-CD2 4.12Å; L245-L279 HydrophobicContact CD2-CB 4.04Å; L245-L279 HydrophobicContact CD2-CD2 4.35Å; F251-L279 HydrophobicContact CZ-CB 3.88Å; L275-L279 HydrophobicContact CD1-CD1 4.49Å; L275-L279 HydrophobicContact CD1-CG 4.42Å; L275-L279 HydrophobicContact CG-CD1 4.49Å; L275-L279 WeakPolarHBondContact O-CG 3.45Å; L275-L279 PolarHBondContact O-N 3.49Å; T276-L279 PolarHBondContact O-N 2.92Å; L279-M282 PolarHBondContact O-N 2.71Å; L279-H283 VanDerWaalsContact O-CB 3.28Å; L279-H283 WeakPolarHBondContact O-CB 3.38Å; L279-H283 PolarHBondContact O-N 2.74Å; L279-L302 HydrophobicContact CD2-CD1 4.47Å |
| 280 | L | 94.9 | Very high | 84.4 | Confident | 23 Ų | 23 | 81.6 Ų | 81.6 | 12% | 0.12 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 173.4 | -80.9 | 165.9 | 0 | 0 | 0 | 111.4 | F251 I261 L265 T276 E277 M282 H283 N284 | F251-L280 HydrophobicContact CB-CD2 4.15Å; F251-L280 HydrophobicContact CD1-CD2 3.23Å; F251-L280 HydrophobicContact CD1-CG 3.79Å; F251-L280 HydrophobicContact CD2-CD2 4.08Å; F251-L280 HydrophobicContact CE1-CD2 3.49Å; F251-L280 VanDerWaalsContact CE1-CD2 3.49Å; F251-L280 HydrophobicContact CE1-CG 3.53Å; F251-L280 HydrophobicContact CE2-CD2 4.3Å; F251-L280 HydrophobicContact CG-CD2 3.55Å; F251-L280 HydrophobicContact CG-CG 4.5Å; F251-L280 HydrophobicContact CZ-CD2 4.02Å; F251-L280 HydrophobicContact CZ-CG 4.05Å; I261-L280 HydrophobicContact CG2-CD1 3.74Å; I261-L280 HydrophobicContact CG2-CD2 4.43Å; L265-L280 HydrophobicContact CD1-CD1 3.82Å; T276-L280 HydrophobicContact CG2-CD1 4.22Å; T276-L280 WeakPolarHBondContact O-CG 3.23Å; T276-L280 PolarHBondContact O-N 3.33Å; E277-L280 PolarHBondContact O-N 2.83Å; L280-M282 PolarHBondContact O-N 3.42Å; L280-H283 WeakPolarHBondContact O-CB 3.31Å; L280-H283 PolarHBondContact O-N 2.97Å; L280-N284 WeakPolarHBondContact O-CB 3.35Å; L280-N284 VanDerWaalsContact O-CG 3.26Å; L280-N284 PolarHBondContact O-N 3.08Å |
| 281 | K | 93.4 | Very high | 82.1 | Confident | 145 Ų | 145 | 80.3 Ų | 80.3 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 176.7 | -177.2 | 179.2 | 178.4 | 178 | 0 | 111.6 | E277 F278 H283 N284 S285 | E277-K281 WeakPolarHBondContact O-CB 3.31Å; E277-K281 PolarHBondContact O-N 3.32Å; F278-K281 PolarHBondContact O-N 2.71Å; K281-H283 VanDerWaalsContact C-N 3.34Å; K281-N284 PolarHBondContact O-N 3.19Å; K281-S285 WeakPolarHBondContact O-CB 3.35Å; K281-S285 PolarHBondContact O-N 3.38Å; K281-S285 PolarHBondContact O-OG 2.82Å |
| 282 | M | 90.6 | Very high | 80.2 | Confident | 27 Ų | 27 | 85 Ų | 85 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.4 | -70.8 | 173.9 | 66.4 | 0 | 0 | 111.9 | I243 L245 F278 L279 L280 S285 S286 | I243-M282 HydrophobicContact CB-CE 3.4Å; I243-M282 VanDerWaalsContact CB-CE 3.4Å; I243-M282 HydrophobicContact CD1-CE 3.47Å; I243-M282 VanDerWaalsContact CD1-CE 3.47Å; I243-M282 HydrophobicContact CG1-CE 4Å; I243-M282 HydrophobicContact CG2-CE 3.43Å; I243-M282 VanDerWaalsContact CG2-CE 3.43Å; L245-M282 HydrophobicContact CD1-CB 4.46Å; F278-M282 HydrophobicContact CD1-CG 4.48Å; F278-M282 HydrophobicContact CD1-SD 3.64Å; F278-M282 HydrophobicContact CE1-CG 4.18Å; F278-M282 HydrophobicContact CE1-SD 3.17Å; F278-M282 WeakPolarHBondContact CE1-SD 3.5Å; F278-M282 HydrophobicContact CZ-CG 4.27Å; F278-M282 HydrophobicContact CZ-SD 3.71Å; F278-M282 WeakPolarHBondContact O-CG 3.39Å; F278-M282 PolarHBondContact O-N 3.33Å; L279-M282 PolarHBondContact O-N 2.71Å; L280-M282 PolarHBondContact O-N 3.42Å; M282-S285 PolarHBondContact O-N 2.72Å; M282-S286 PolarHBondContact O-N 2.89Å; M282-S286 PolarHBondContact O-OG 3.15Å |
| 283 | H | 91.1 | Very high | 78.2 | Confident | 32 Ų | 32 | 85.2 Ų | 85.2 | 15% | 0.148 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 177.7 | -176.8 | 72.7 | 0 | 0 | 0 | 112 | L245 K248 F251 L279 L280 K281 S285 S286 | L245-H283 HydrophobicContact CD2-CB 4.41Å; K248-H283 PolarHBondContact O-CE1 2.95Å; K248-H283 PolarHBondContact O-NE2 3.3Å; K248-H283 VanDerWaalsContact O-NE2 3.08Å; F251-H283 HydrophobicContact CD2-CB 4.09Å; F251-H283 AromaticContact CD2-CD2 3.53Å; F251-H283 AromaticContact CD2-CG 3.62Å; F251-H283 AromaticContact CD2-ND1 3.98Å; F251-H283 AromaticContact CD2-NE2 3.81Å; F251-H283 HydrophobicContact CE2-CB 3.54Å; F251-H283 AromaticContact CE2-CD2 3.93Å; F251-H283 AromaticContact CE2-CG 3.53Å; F251-H283 AromaticContact CE2-ND1 3.94Å; F251-H283 HydrophobicContact CZ-CB 4.41Å; L279-H283 VanDerWaalsContact O-CB 3.28Å; L279-H283 WeakPolarHBondContact O-CB 3.38Å; L279-H283 PolarHBondContact O-N 2.74Å; L280-H283 WeakPolarHBondContact O-CB 3.31Å; L280-H283 PolarHBondContact O-N 2.97Å; K281-H283 VanDerWaalsContact C-N 3.34Å; H283-S285 VanDerWaalsContact C-N 3.26Å; H283-S285 PolarHBondContact O-N 2.6Å; H283-S286 VanDerWaalsContact O-CB 3.28Å; H283-S286 WeakPolarHBondContact O-CB 3.47Å; H283-S286 PolarHBondContact O-N 3.4Å; H283-S286 PolarHBondContact O-OG 3.42Å |
| 284 | N | 88.1 | Confident | 76.5 | Confident | 119 Ų | 119 | 86.2 Ų | 86.2 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.8 | -22.2 | 178.6 | -65 | -12.2 | 0 | 0 | 0 | 113.1 | L280 K281 S286 | L280-N284 WeakPolarHBondContact O-CB 3.35Å; L280-N284 VanDerWaalsContact O-CG 3.26Å; L280-N284 PolarHBondContact O-N 3.08Å; K281-N284 PolarHBondContact O-N 3.19Å; N284-S286 VanDerWaalsContact C-N 3.34Å |
| 285 | S | 83.1 | Confident | 74.8 | Confident | 64 Ų | 64 | 85.8 Ų | 85.8 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5.4 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 112.9 | K281 M282 H283 D287 | K281-S285 WeakPolarHBondContact O-CB 3.35Å; K281-S285 PolarHBondContact O-N 3.38Å; K281-S285 PolarHBondContact O-OG 2.82Å; M282-S285 PolarHBondContact O-N 2.72Å; H283-S285 VanDerWaalsContact C-N 3.26Å; H283-S285 PolarHBondContact O-N 2.6Å; S285-D287 PolarHBondContact O-N 3.16Å |
| 286 | S | 67.1 | Low | 73.5 | Confident | 21 Ų | 21 | 88.3 Ų | 88.3 | 15% | 0.147 | 46% | 0.456 | C | S | . | . | trans | -73.3 | 7.5 | -171.5 | -66.2 | 0 | 0 | 0 | 0 | 115 | M282 H283 N284 H288 | M282-S286 PolarHBondContact O-N 2.89Å; M282-S286 PolarHBondContact O-OG 3.15Å; H283-S286 VanDerWaalsContact O-CB 3.28Å; H283-S286 WeakPolarHBondContact O-CB 3.47Å; H283-S286 PolarHBondContact O-N 3.4Å; H283-S286 PolarHBondContact O-OG 3.42Å; N284-S286 VanDerWaalsContact C-N 3.34Å; S286-H288 PolarHBondContact O-N 2.7Å | ||
| 287 | D | 54.7 | Low | 72.8 | Confident | 152 Ų | 152 | 90.6 Ų | 90.6 | 81% | 0.813 | 47% | 0.47 | S | S | * | . | trans | -79.7 | 54.5 | 169.5 | -76 | -18.5 | 0 | 0 | 0 | 111.3 | S285 K289 | S285-D287 PolarHBondContact O-N 3.16Å; D287-K289 PolarHBondContact O-N 2.73Å | ||
| 288 | H | 54.8 | Low | 72.5 | Confident | 119 Ų | 119 | 88.8 Ų | 88.8 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | trans | -78.9 | 105.7 | 168.3 | -74.8 | -62.9 | 0 | 0 | 0 | 108.6 | F242 S286 M290 | F242-H288 HydrophobicContact CD1-CB 4.42Å; F242-H288 AromaticContact CD1-CD2 3.9Å; F242-H288 HydrophobicContact CE1-CB 3.92Å; F242-H288 AromaticContact CE1-CD2 3.77Å; F242-H288 AromaticContact CE1-CG 3.79Å; S286-H288 PolarHBondContact O-N 2.7Å; H288-M290 PolarHBondContact O-N 2.73Å; H288-M290 VanDerWaalsContact O-N 3.15Å | ||
| 289 | K | 46.1 | Very low | 72.4 | Confident | 184 Ų | 184 | 88.6 Ų | 88.6 | 80% | 0.8 | 46% | 0.46 | S | S | * | . | trans | -49 | 122.2 | 158.1 | -70.1 | -178 | 179.1 | 179.4 | 0 | 106.7 | D287 N291 | D287-K289 PolarHBondContact O-N 2.73Å; K289-N291 PolarHBondContact O-N 3.41Å | ||
| 290 | M | 49.8 | Very low | 72.4 | Confident | 150 Ų | 150 | 88.6 Ų | 88.6 | 74% | 0.739 | 46% | 0.46 | S | S | * | . | trans | -60.7 | 90.6 | 168.4 | -81.1 | -160.6 | 157.6 | 0 | 0 | 107.3 | H288 H292 | H288-M290 PolarHBondContact O-N 2.73Å; H288-M290 VanDerWaalsContact O-N 3.15Å; M290-H292 PolarHBondContact O-N 2.71Å | ||
| 291 | N | 48.6 | Very low | 72.5 | Confident | 127 Ų | 127 | 88.6 Ų | 88.6 | 68% | 0.679 | 46% | 0.46 | S | S | * | . | trans | -65.4 | 123.3 | 161.3 | -73.9 | -10.7 | 0 | 0 | 0 | 104.9 | K289 T293 | K289-N291 PolarHBondContact O-N 3.41Å; N291-T293 HydrophobicContact CB-CG2 4.42Å; N291-T293 PolarHBondContact O-N 3.41Å | ||
| 292 | H | 50.5 | Low | 72.8 | Confident | 202 Ų | 202 | 81.7 Ų | 81.7 | 94% | 0.935 | 43% | 0.43 | S | S | * | . | trans | -60.2 | 79.5 | 171 | -76.8 | -77.5 | 0 | 0 | 0 | 109.1 | M290 | M290-H292 PolarHBondContact O-N 2.71Š| ||
| 293 | T | 53 | Low | 73.1 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | trans | -84.1 | 137.6 | 169.1 | 55.7 | 0 | 0 | 0 | 0 | 107.7 | N291 Y295 | N291-T293 HydrophobicContact CB-CG2 4.42Å; N291-T293 PolarHBondContact O-N 3.41Å; T293-Y295 PolarHBondContact O-N 2.74Å | ||
| 294 | A | 60.7 | Low | 73.5 | Confident | 107 Ų | 107 | 80.1 Ų | 80.1 | 88% | 0.884 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -65.6 | 6.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 295 | Y | 63 | Low | 73.9 | Confident | 115 Ų | 115 | 74.9 Ų | 74.9 | 45% | 0.451 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -106.3 | 148.9 | -173.6 | -63 | -73.5 | 0 | 0 | 0 | 112 | S237 S239 T293 V297 | S237-Y295 VanDerWaalsContact OG-CE1 3.25Å; S237-Y295 WeakPolarHBondContact OG-CE1 3.13Å; S239-Y295 VanDerWaalsContact OG-CB 3.28Å; S239-Y295 WeakPolarHBondContact OG-CB 3.24Å; T293-Y295 PolarHBondContact O-N 2.74Å; Y295-V297 PolarHBondContact O-N 2.91Å |
| 296 | P | 68.5 | Low | 74.7 | Confident | 60 Ų | 60 | 72.8 Ų | 72.8 | 39% | 0.39 | 38% | 0.376 | S | S | . | . | trans | -59.1 | 131.8 | 173.8 | 23.5 | -31.6 | 0 | 0 | 0 | 110.5 | Y298 | P296-Y298 HydrophobicContact CB-CE2 3.82Å; P296-Y298 HydrophobicContact CG-CE2 3.92Å; P296-Y298 WeakPolarHBondContact O-CD2 3.23Å | ||
| 297 | V | 81.7 | Confident | 76.1 | Confident | 48 Ų | 48 | 74.9 Ų | 74.9 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | trans | -96.5 | 134.6 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | F242 Y295 H299 | F242-V297 HydrophobicContact CD2-CG1 3.42Å; F242-V297 VanDerWaalsContact CD2-CG1 3.42Å; F242-V297 HydrophobicContact CE2-CG1 3.52Å; Y295-V297 PolarHBondContact O-N 2.91Å; V297-H299 WeakPolarHBondContact CG1-NE2 3.29Å | ||
| 298 | Y | 91.3 | Very high | 78.2 | Confident | 49 Ų | 49 | 68 Ų | 68 | 19% | 0.192 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.4 | -180 | -64.4 | -106.6 | 0 | 0 | 0 | 109.8 | L181 K206 I234 F242 P296 | L181-Y298 HydrophobicContact CD2-CD1 3.93Å; K206-Y298 HydrophobicContact CB-CD1 4.41Å; K206-Y298 HydrophobicContact CG-CE1 4.36Å; K206-Y298 CarbonylContact O-C 3.53Å; K206-Y298 VanDerWaalsContact O-CA 3.28Å; K206-Y298 WeakPolarHBondContact O-CA 3.48Å; I234-Y298 HydrophobicContact CB-CD2 4.27Å; I234-Y298 HydrophobicContact CB-CE2 4.33Å; I234-Y298 HydrophobicContact CD1-CD1 4.08Å; I234-Y298 HydrophobicContact CD1-CD2 3.28Å; I234-Y298 HydrophobicContact CD1-CE2 4.09Å; I234-Y298 HydrophobicContact CD1-CG 3.28Å; I234-Y298 HydrophobicContact CG1-CD2 4.35Å; I234-Y298 HydrophobicContact CG2-CD2 3.7Å; I234-Y298 HydrophobicContact CG2-CE1 4.37Å; I234-Y298 HydrophobicContact CG2-CE2 3.36Å; I234-Y298 HydrophobicContact CG2-CG 4.35Å; F242-Y298 PolarHBondContact N-O 3.49Å; P296-Y298 HydrophobicContact CB-CE2 3.82Å; P296-Y298 HydrophobicContact CG-CE2 3.92Å; P296-Y298 WeakPolarHBondContact O-CD2 3.23Å |
| 299 | H | 93.7 | Very high | 80.2 | Confident | 36 Ų | 36 | 66 Ų | 66 | 17% | 0.167 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.5 | -176.6 | -64.7 | -77.6 | 0 | 0 | 0 | 111.2 | K206 N207 V208 F242 N244 V297 | K206-H299 PolarHBondContact O-N 3.08Å; N207-H299 WeakPolarHBondContact CA-O 3.36Å; N207-H299 PolarHBondContact OD1-CD2 2.99Å; V208-H299 PolarHBondContact N-O 3.18Å; F242-H299 WeakPolarHBondContact O-CA 3.1Å; N244-H299 PolarHBondContact ND2-ND1 3.18Å; V297-H299 WeakPolarHBondContact CG1-NE2 3.29Å |
| 300 | C | 96.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 107.9 | 161.6 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | L181 V208 L229 F242 I243 N244 | L181-C300 HydrophobicContact CD1-CB 3.91Å; V208-C300 CarbonylContact O-C 3.55Å; V208-C300 VanDerWaalsContact O-CA 3.28Å; V208-C300 WeakPolarHBondContact O-CA 3.47Å; L229-C300 HydrophobicContact CD2-CB 4.09Å; L229-C300 VanDerWaalsContact CD2-SG 3.6Å; F242-C300 PolarHBondContact O-N 3.25Å; I243-C300 CarbonylContact C-O 3.52Å; I243-C300 VanDerWaalsContact CA-O 3.27Å; I243-C300 WeakPolarHBondContact CA-O 3.45Å; I243-C300 HydrophobicContact CG1-CB 4.28Å; N244-C300 PolarHBondContact N-O 3.06Å |
| 301 | N | 97.5 | Very high | 85 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.3 | -179.2 | -54.3 | -54.7 | 0 | 0 | 0 | 109.9 | V208 T209 L210 N244 L246 Q303 | V208-N301 PolarHBondContact O-N 3.14Å; T209-N301 CarbonylContact C-O 3.26Å; T209-N301 WeakPolarHBondContact CA-O 3.42Å; T209-N301 HydrophobicContact CG2-CB 4.09Å; T209-N301 PolarHBondContact OG1-ND2 3.16Å; L210-N301 PolarHBondContact N-O 3.3Å; N244-N301 WeakPolarHBondContact CB-OD1 2.97Å; N244-N301 PolarHBondContact ND2-OD1 2.75Å; N244-N301 CarbonylContact O-C 3.57Å; L246-N301 HydrophobicContact CD1-CB 4.05Å; N301-Q303 PolarHBondContact O-N 3.42Å |
| 302 | L | 98.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 91.3 | 168 | -54.2 | -175.1 | 0 | 0 | 0 | 108 | M169 L210 F221 I226 I243 N244 L245 L246 L279 F304 | M169-L302 HydrophobicContact CE-CB 4.23Å; M169-L302 HydrophobicContact SD-CD2 4.31Å; L210-L302 HydrophobicContact CB-CD2 3.99Å; L210-L302 HydrophobicContact CD2-CD2 3.89Å; L210-L302 HydrophobicContact CG-CD2 4.37Å; F221-L302 HydrophobicContact CE1-CD1 4.45Å; F221-L302 HydrophobicContact CZ-CD1 4.19Å; I226-L302 HydrophobicContact CD1-CD1 4.15Å; I243-L302 HydrophobicContact CG2-CD1 4.21Å; I243-L302 HydrophobicContact CG2-CG 4.2Å; N244-L302 PolarHBondContact O-N 2.82Å; L245-L302 HydrophobicContact CD1-CD1 4.3Å; L245-L302 HydrophobicContact CG-CB 4.43Å; L245-L302 HydrophobicContact CG-CD1 4.22Å; L246-L302 PolarHBondContact N-O 2.98Å; L279-L302 HydrophobicContact CD2-CD1 4.47Å; L302-F304 HydrophobicContact CB-CD2 4.5Å; L302-F304 HydrophobicContact CB-CE2 3.7Å; L302-F304 HydrophobicContact CB-CZ 3.85Å; L302-F304 HydrophobicContact CD1-CZ 4.29Å; L302-F304 VanDerWaalsContact O-CD2 3.27Å; L302-F304 WeakPolarHBondContact O-CD2 3.34Å; L302-F304 WeakPolarHBondContact O-CE2 3.37Å; L302-F304 PolarHBondContact O-N 3.33Å |
| 303 | Q | 98.2 | Very high | 89.6 | Confident | 24 Ų | 24 | 40.9 Ų | 40.9 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 100.7 | -179.4 | -169.5 | 171.4 | 0.3 | 0 | 0 | 110.5 | T209 L210 I211 G212 N301 R306 | T209-Q303 HydrophobicContact CG2-CB 3.8Å; T209-Q303 VanDerWaalsContact CG2-OE1 3.3Å; L210-Q303 PolarHBondContact O-N 2.84Å; I211-Q303 WeakPolarHBondContact CA-O 3.34Å; G212-Q303 PolarHBondContact N-O 2.93Å; N301-Q303 PolarHBondContact O-N 3.42Å; Q303-R306 HydrophobicContact CG-CG 3.82Å |
| 304 | F | 98.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | trans | -85.1 | 167.3 | 178.7 | -61.6 | -75 | 0 | 0 | 0 | 112.1 | M169 G212 R214 P216 V219 L245 L246 V250 L302 R306 | M169-F304 HydrophobicContact CE-CD1 4.23Å; M169-F304 HydrophobicContact CE-CE1 4.14Å; M169-F304 HydrophobicContact SD-CE1 4.37Å; G212-F304 CarbonylContact O-C 3.58Å; G212-F304 VanDerWaalsContact O-C 3.26Å; G212-F304 WeakPolarHBondContact O-CA 3.47Å; R214-F304 WeakPolarHBondContact O-CB 3.44Å; R214-F304 WeakPolarHBondContact O-CD1 3.34Å; P216-F304 HydrophobicContact CB-CE1 4.44Å; P216-F304 HydrophobicContact CB-CZ 4.24Å; P216-F304 HydrophobicContact CG-CD1 4.45Å; P216-F304 HydrophobicContact CG-CD2 4.14Å; P216-F304 HydrophobicContact CG-CE1 4.25Å; P216-F304 HydrophobicContact CG-CE2 3.92Å; P216-F304 HydrophobicContact CG-CG 4.4Å; P216-F304 HydrophobicContact CG-CZ 3.97Å; V219-F304 HydrophobicContact CG1-CE1 3.63Å; V219-F304 HydrophobicContact CG1-CZ 4.2Å; L245-F304 HydrophobicContact CB-CE2 4.13Å; L245-F304 HydrophobicContact CD2-CE2 4.04Å; L245-F304 HydrophobicContact CG-CE2 3.95Å; L246-F304 WeakPolarHBondContact O-CB 3.43Å; L246-F304 WeakPolarHBondContact O-CD2 3.5Å; L246-F304 PolarHBondContact O-N 3.01Å; V250-F304 HydrophobicContact CB-CD2 4.48Å; V250-F304 HydrophobicContact CG1-CD2 4.2Å; V250-F304 HydrophobicContact CG2-CB 3.65Å; V250-F304 HydrophobicContact CG2-CD2 3.89Å; V250-F304 HydrophobicContact CG2-CG 3.95Å; L302-F304 HydrophobicContact CB-CD2 4.5Å; L302-F304 HydrophobicContact CB-CE2 3.7Å; L302-F304 HydrophobicContact CB-CZ 3.85Å; L302-F304 HydrophobicContact CD1-CZ 4.29Å; L302-F304 VanDerWaalsContact O-CD2 3.27Å; L302-F304 WeakPolarHBondContact O-CD2 3.34Å; L302-F304 WeakPolarHBondContact O-CE2 3.37Å; L302-F304 PolarHBondContact O-N 3.33Å; F304-R306 VanDerWaalsContact C-N 3.26Å; F304-R306 PolarHBondContact O-N 3.02Å | ||
| 305 | L | 97.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 56.3 | 38.1 | 175.4 | -55.6 | -179.6 | 0 | 0 | 0 | 113.3 | G212 R214 V253 T254 V334 L336 | G212-L305 PolarHBondContact O-N 3.4Å; R214-L305 PolarHBondContact O-N 2.94Å; V253-L305 HydrophobicContact CG1-CD1 3.83Å; T254-L305 HydrophobicContact CG2-CD1 3.91Å; T254-L305 HydrophobicContact CG2-CD2 3.97Å; T254-L305 HydrophobicContact CG2-CG 4.26Å; L305-V334 WeakPolarHBondContact CB-O 3.48Å; L305-V334 PolarHBondContact O-N 3.34Å; L305-L336 HydrophobicContact CD2-CD1 4.15Å; L305-L336 HydrophobicContact CD2-CD2 4.15Å; L305-L336 HydrophobicContact CD2-CG 3.8Å |
| 306 | R | 98.3 | Very high | 92.8 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.5 | 177.8 | -68.3 | -58.6 | 177 | -81.2 | 2.3 | 112.3 | I211 G212 R213 Q303 F304 L331 A332 E355 | I211-R306 HydrophobicContact CG2-CB 3.86Å; G212-R306 CarbonylContact C-O 3.49Å; G212-R306 PolarHBondContact O-N 2.75Å; R213-R306 WeakPolarHBondContact CA-O 3.3Å; R213-R306 PolarHBondContact N-O 2.76Å; Q303-R306 HydrophobicContact CG-CG 3.82Å; F304-R306 VanDerWaalsContact C-N 3.26Å; F304-R306 PolarHBondContact O-N 3.02Å; R306-L331 HydrophobicContact CB-CB 4.29Å; R306-L331 HydrophobicContact CB-CD1 4.2Å; R306-L331 HydrophobicContact CG-CB 4.44Å; R306-L331 HydrophobicContact CG-CD1 4.22Å; R306-A332 WeakPolarHBondContact CA-O 3.36Å; R306-E355 IonicContact CZ-OE1 3.45Å; R306-E355 VanDerWaalsContact CZ-OE1 3.25Å; R306-E355 IonicContact CZ-OE2 3.06Å; R306-E355 VanDerWaalsContact CZ-OE2 3.31Å; R306-E355 IonicContact NE-OE1 3.51Å; R306-E355 PolarHBondContact NE-OE1 3.48Å; R306-E355 IonicContact NE-OE2 3.07Å; R306-E355 PolarHBondContact NE-OE2 2.96Å; R306-E355 VanDerWaalsContact NH2-CD 3.28Å; R306-E355 IonicContact NH2-OE1 2.68Å; R306-E355 PolarHBondContact NH2-OE1 3.29Å; R306-E355 IonicContact NH2-OE2 3.16Å; R306-E355 PolarHBondContact NH2-OE2 3.22Å |
| 307 | F | 97.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 50 Ų | 50 | 29% | 0.285 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.9 | 176.6 | -170.7 | -83.9 | 0 | 0 | 0 | 110 | R213 K309 L331 A332 V334 I348 | R213-F307 HydrophobicContact CB-CD2 4.35Å; F307-K309 HydrophobicContact CD1-CD 4.37Å; F307-K309 PolarHBondContact O-N 3Å; F307-L331 CarbonylContact O-C 3.39Å; F307-L331 WeakPolarHBondContact O-CA 3.05Å; F307-A332 PolarHBondContact N-O 2.91Å; F307-A332 PolarHBondContact O-N 2.83Å; F307-V334 HydrophobicContact CB-CG2 3.7Å; F307-I348 HydrophobicContact CD1-CD1 4.11Å; F307-I348 HydrophobicContact CG-CD1 4.3Å |
| 308 | P | 98 | Very high | 91.7 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 130.8 | 179.2 | 31.7 | -36.8 | 0 | 0 | 0 | 111.1 | L126 I128 I167 I329 L331 | L126-P308 HydrophobicContact CD1-CG 4.44Å; L126-P308 HydrophobicContact CD2-CG 3.9Å; I128-P308 HydrophobicContact CD1-CB 3.92Å; I128-P308 HydrophobicContact CD1-CG 4.48Å; I167-P308 HydrophobicContact CD1-CB 4.01Å; I167-P308 HydrophobicContact CD1-CG 4.16Å; I167-P308 HydrophobicContact CG2-CG 3.93Å; P308-I329 HydrophobicContact CB-CD1 3.74Å; P308-I329 HydrophobicContact CB-CG1 4.44Å; P308-L331 HydrophobicContact CB-CD2 4.23Å |
| 309 | K | 97.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -35.2 | -178.3 | -80 | -65.5 | -153.1 | 175.1 | 0 | 113.7 | P129 F307 K330 A332 L354 | P129-K309 WeakPolarHBondContact CD-O 3.17Å; F307-K309 HydrophobicContact CD1-CD 4.37Å; F307-K309 PolarHBondContact O-N 3Å; K309-K330 PolarHBondContact N-O 3.1Å; K309-A332 HydrophobicContact CD-CB 4.48Å; K309-A332 HydrophobicContact CG-CB 3.79Å; K309-L354 HydrophobicContact CB-CD1 4.31Å; K309-L354 HydrophobicContact CB-CD2 4.33Å; K309-L354 HydrophobicContact CG-CD2 3.86Å |
| 310 | E | 98.4 | Very high | 89.8 | Confident | 64 Ų | 64 | 57.8 Ų | 57.8 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 141.8 | -176.3 | 175.7 | 179.2 | -166.5 | 0 | 0 | 109.4 | P129 V312 I329 K330 | P129-E310 HydrophobicContact CB-CG 4.19Å; E310-V312 HydrophobicContact CG-CG2 3.79Å; E310-I329 WeakPolarHBondContact O-CG1 3.22Å; E310-K330 HydrophobicContact CB-CB 4.31Å; E310-K330 HydrophobicContact CB-CD 4.39Å; E310-K330 PolarHBondContact O-N 3.17Å; E310-K330 IonicContact OE1-NZ 3.63Å; E310-K330 WeakPolarHBondContact OE2-CD 3.27Å; E310-K330 WeakPolarHBondContact OE2-CE 3.33Å; E310-K330 IonicContact OE2-NZ 2.85Å; E310-K330 PolarHBondContact OE2-NZ 3.39Å |
| 311 | I | 98.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.3 | 169 | -55.5 | 171.9 | 0 | 0 | 0 | 107.6 | I128 P129 G130 L133 V136 V326 I329 V362 | I128-I311 HydrophobicContact CD1-CD1 4.42Å; I128-I311 HydrophobicContact CD1-CG1 4.17Å; P129-I311 PolarHBondContact O-N 3.47Å; G130-I311 WeakPolarHBondContact CA-O 3.15Å; L133-I311 HydrophobicContact CD1-CB 4.49Å; L133-I311 HydrophobicContact CD1-CG2 4.08Å; V136-I311 HydrophobicContact CB-CD1 4.45Å; V136-I311 HydrophobicContact CG1-CD1 3.77Å; V136-I311 HydrophobicContact CG2-CD1 3.75Å; V136-I311 HydrophobicContact CG2-CG2 3.88Å; I311-V326 HydrophobicContact CG2-CG1 3.73Å; I311-V326 HydrophobicContact CG2-CG2 4.2Å; I311-I329 HydrophobicContact CG1-CD1 4.07Å; I311-I329 HydrophobicContact CG1-CG1 4.06Å; I311-V362 HydrophobicContact CD1-CB 4.22Å; I311-V362 HydrophobicContact CD1-CG1 3.86Å; I311-V362 HydrophobicContact CD1-CG2 4.3Å; I311-V362 HydrophobicContact CG1-CG2 4.49Å; I311-V362 HydrophobicContact CG2-CG2 4.15Å |
| 312 | V | 98 | Very high | 87.6 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.5 | -171.2 | -175.8 | 0 | 0 | 0 | 0 | 110 | E310 S327 H328 K330 | E310-V312 HydrophobicContact CG-CG2 3.79Å; V312-S327 WeakPolarHBondContact O-CB 3.25Å; V312-S327 PolarHBondContact O-N 3.35Å; V312-H328 VanDerWaalsContact CB-CE1 3.5Å; V312-H328 WeakPolarHBondContact CB-CE1 3.44Å; V312-H328 VanDerWaalsContact CG1-CE1 3.48Å; V312-H328 WeakPolarHBondContact CG1-CE1 3.46Å; V312-H328 PolarHBondContact N-O 3.38Å; V312-H328 PolarHBondContact O-N 3.08Å; V312-K330 HydrophobicContact CG2-CD 4.4Å; V312-K330 HydrophobicContact CG2-CG 4.34Å |
| 313 | S | 95.9 | Very high | 87.2 | Confident | 37 Ų | 37 | 75 Ų | 75 | 26% | 0.259 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 163.7 | 176.4 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | G315 I325 | S313-G315 PolarHBondContact O-N 3.31Å; S313-G315 PolarHBondContact OG-N 3.11Å; S313-G315 PolarHBondContact OG-O 3.17Å; S313-I325 CarbonylContact C-O 3.56Å; S313-I325 WeakPolarHBondContact CA-O 3.48Å; S313-I325 WeakPolarHBondContact CB-O 3.46Å |
| 314 | Y | 90.6 | Very high | 87.1 | Confident | 182 Ų | 182 | 74.6 Ų | 74.6 | 71% | 0.714 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -71.4 | -13 | 168.2 | -76 | -71.8 | 0 | 0 | 0 | 113.7 | I325 V326 | Y314-I325 PolarHBondContact N-O 3.27Å; Y314-V326 WeakPolarHBondContact CE2-O 3.46Å |
| 315 | G | 83.5 | Confident | 86.9 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 153.9 | -175.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112 | S313 H317 | S313-G315 PolarHBondContact O-N 3.31Å; S313-G315 PolarHBondContact OG-N 3.11Å; S313-G315 PolarHBondContact OG-O 3.17Å; G315-H317 PolarHBondContact O-N 3.05Å |
| 316 | E | 71.3 | Confident | 86.9 | Confident | 180 Ų | 180 | 75 Ų | 75 | 84% | 0.841 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -86.3 | 106.9 | 179.7 | -69.5 | -176.2 | -178.6 | 0 | 0 | 110.6 | ||
| 317 | H | 64 | Low | 86.8 | Confident | 155 Ų | 155 | 74.9 Ų | 74.9 | 72% | 0.718 | 37% | 0.373 | S | S | * | . | trans | 75.8 | 121.7 | 158.7 | -54.2 | -62.4 | 0 | 0 | 0 | 119.3 | G315 | G315-H317 PolarHBondContact O-N 3.05Š| ||
| 318 | H | 63.5 | Low | 86.9 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 39% | 0.394 | 37% | 0.368 | S | S | . | . | trans | -87.9 | 149.4 | 146.3 | -102.1 | -65.8 | 0 | 0 | 0 | 109.3 | D320 R323 I325 | H318-D320 PolarHBondContact O-N 3.18Å; H318-R323 HydrophobicContact CB-CB 4.3Å; H318-R323 VanDerWaalsContact CD2-CD 3.48Å; H318-R323 WeakPolarHBondContact CD2-CD 3.45Å; H318-R323 PolarHBondContact CE1-NH1 3.43Å; H318-R323 VanDerWaalsContact CE1-NH1 3.31Å; H318-R323 VanDerWaalsContact NE2-CZ 3.32Å; H318-R323 PolarHBondContact NE2-NE 3.16Å; H318-I325 HydrophobicContact CB-CG2 4.39Å | ||
| 319 | S | 68.2 | Low | 86.9 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 91% | 0.909 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -63.5 | -25.9 | 171.7 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 320 | D | 75.1 | Confident | 86.9 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | trans | -89.1 | 115.6 | 175.2 | -173.7 | -1.6 | 0 | 0 | 0 | 110.9 | H318 N322 R323 | H318-D320 PolarHBondContact O-N 3.18Å; D320-N322 PolarHBondContact O-N 3Å; D320-N322 WeakPolarHBondContact OD1-CB 3.32Å; D320-N322 PolarHBondContact OD1-N 3.02Å; D320-R323 HydrophobicContact CB-CB 4.18Å; D320-R323 PolarHBondContact O-N 3.29Å | ||
| 321 | K | 72.2 | Confident | 87 | Confident | 187 Ų | 187 | 69.2 Ų | 69.2 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.5 | 177.9 | -67.4 | -174.6 | 178.7 | -178 | 0 | 113.3 | R323 | K321-R323 VanDerWaalsContact C-N 3.34Š|
| 322 | N | 76.9 | Confident | 86.9 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -14.4 | 179.4 | -69.6 | -20.1 | 0 | 0 | 0 | 112.6 | D158 D320 | D158-N322 WeakPolarHBondContact CB-O 3.5Å; D320-N322 PolarHBondContact O-N 3Å; D320-N322 WeakPolarHBondContact OD1-CB 3.32Å; D320-N322 PolarHBondContact OD1-N 3.02Å |
| 323 | R | 89.8 | Confident | 86.9 | Confident | 120 Ų | 120 | 68 Ų | 68 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -79.3 | 130.4 | 179.7 | -168.9 | 162.7 | -179.7 | 175.1 | -1.9 | 110.4 | P134 D158 H318 D320 K321 | P134-R323 WeakPolarHBondContact CB-O 3.17Å; D158-R323 WeakPolarHBondContact OD2-CG 3.45Å; H318-R323 HydrophobicContact CB-CB 4.3Å; H318-R323 VanDerWaalsContact CD2-CD 3.48Å; H318-R323 WeakPolarHBondContact CD2-CD 3.45Å; H318-R323 PolarHBondContact CE1-NH1 3.43Å; H318-R323 VanDerWaalsContact CE1-NH1 3.31Å; H318-R323 VanDerWaalsContact NE2-CZ 3.32Å; H318-R323 PolarHBondContact NE2-NE 3.16Å; D320-R323 HydrophobicContact CB-CB 4.18Å; D320-R323 PolarHBondContact O-N 3.29Å; K321-R323 VanDerWaalsContact C-N 3.34Å |
| 324 | S | 94.3 | Very high | 87 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | trans | -68.1 | 137.7 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | G135 D158 V326 G360 | G135-S324 WeakPolarHBondContact CA-OG 3.29Å; D158-S324 PolarHBondContact OD2-N 3.03Å; S324-V326 PolarHBondContact OG-N 3.33Å; S324-G360 WeakPolarHBondContact CB-O 3.31Å; S324-G360 PolarHBondContact OG-O 3.25Å | ||
| 325 | I | 95.3 | Very high | 87.3 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | trans | -112.3 | 5.1 | 170.8 | 65.2 | 172 | 0 | 0 | 0 | 112.3 | L133 P134 S313 Y314 H318 S327 | L133-I325 HydrophobicContact CB-CG1 4.5Å; L133-I325 HydrophobicContact CD2-CD1 3.93Å; L133-I325 HydrophobicContact CD2-CG1 4.4Å; P134-I325 HydrophobicContact CB-CG1 4.25Å; P134-I325 HydrophobicContact CG-CD1 4.29Å; P134-I325 HydrophobicContact CG-CG1 4.36Å; P134-I325 PolarHBondContact O-N 2.8Å; S313-I325 CarbonylContact C-O 3.56Å; S313-I325 WeakPolarHBondContact CA-O 3.48Å; S313-I325 WeakPolarHBondContact CB-O 3.46Å; Y314-I325 PolarHBondContact N-O 3.27Å; H318-I325 HydrophobicContact CB-CG2 4.39Å; I325-S327 PolarHBondContact O-N 3.28Å | ||
| 326 | V | 97.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 129 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | V136 I311 Y314 S324 C359 V362 | V136-V326 HydrophobicContact CG2-CG2 3.88Å; I311-V326 HydrophobicContact CG2-CG1 3.73Å; I311-V326 HydrophobicContact CG2-CG2 4.2Å; Y314-V326 WeakPolarHBondContact CE2-O 3.46Å; S324-V326 PolarHBondContact OG-N 3.33Å; V326-C359 WeakPolarHBondContact CG1-O 3.49Å; V326-V362 HydrophobicContact CG1-CG2 4.06Å |
| 327 | S | 97.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -49.1 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | V312 I325 C359 | V312-S327 WeakPolarHBondContact O-CB 3.25Å; V312-S327 PolarHBondContact O-N 3.35Å; I325-S327 PolarHBondContact O-N 3.28Å; S327-C359 CarbonylContact C-O 3.6Å; S327-C359 VanDerWaalsContact C-O 3.25Å; S327-C359 PolarHBondContact O-N 2.78Å; S327-C359 VanDerWaalsContact O-O 3.06Å |
| 328 | H | 98.5 | Very high | 90.2 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 166.8 | -176.7 | 58.4 | -83.4 | 0 | 0 | 0 | 111.3 | V312 T356 L357 | V312-H328 VanDerWaalsContact CB-CE1 3.5Å; V312-H328 WeakPolarHBondContact CB-CE1 3.44Å; V312-H328 VanDerWaalsContact CG1-CE1 3.48Å; V312-H328 WeakPolarHBondContact CG1-CE1 3.46Å; V312-H328 PolarHBondContact N-O 3.38Å; V312-H328 PolarHBondContact O-N 3.08Å; H328-T356 HydrophobicContact CB-CG2 3.72Å; H328-T356 VanDerWaalsContact CD2-CG2 3.44Å; H328-T356 WeakPolarHBondContact CD2-CG2 3.33Å; H328-L357 VanDerWaalsContact CA-O 3.3Å; H328-L357 WeakPolarHBondContact CA-O 3.34Å; H328-L357 VanDerWaalsContact CB-O 3.27Å; H328-L357 WeakPolarHBondContact CB-O 3.41Å |
| 329 | I | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.2 | 168.7 | -170.6 | 170.9 | 0 | 0 | 0 | 109.9 | A165 I167 I211 P308 E310 I311 L331 L357 V362 | A165-I329 HydrophobicContact CB-CG2 4.2Å; I167-I329 HydrophobicContact CD1-CD1 3.68Å; I167-I329 HydrophobicContact CG1-CD1 4.24Å; I211-I329 HydrophobicContact CD1-CD1 4.49Å; I211-I329 HydrophobicContact CD1-CG2 4.31Å; P308-I329 HydrophobicContact CB-CD1 3.74Å; P308-I329 HydrophobicContact CB-CG1 4.44Å; E310-I329 WeakPolarHBondContact O-CG1 3.22Å; I311-I329 HydrophobicContact CG1-CD1 4.07Å; I311-I329 HydrophobicContact CG1-CG1 4.06Å; I329-L331 HydrophobicContact CD1-CD2 4.06Å; I329-L331 HydrophobicContact CG1-CD2 3.95Å; I329-L331 HydrophobicContact CG2-CD2 4.07Å; I329-L331 HydrophobicContact CG2-CG 4.35Å; I329-L357 HydrophobicContact CG2-CB 3.81Å; I329-L357 HydrophobicContact CG2-CD2 3.98Å; I329-L357 HydrophobicContact CG2-CG 4.22Å; I329-L357 PolarHBondContact N-O 2.98Å; I329-L357 PolarHBondContact O-N 2.99Å; I329-V362 HydrophobicContact CB-CG2 4.46Å; I329-V362 HydrophobicContact CD1-CG1 4.42Å |
| 330 | K | 98.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.2 | 172.7 | -64.3 | -175.2 | -171.2 | 154.9 | 0 | 110.1 | K309 E310 V312 L354 E355 | K309-K330 PolarHBondContact N-O 3.1Å; E310-K330 HydrophobicContact CB-CB 4.31Å; E310-K330 HydrophobicContact CB-CD 4.39Å; E310-K330 PolarHBondContact O-N 3.17Å; E310-K330 IonicContact OE1-NZ 3.63Å; E310-K330 WeakPolarHBondContact OE2-CD 3.27Å; E310-K330 WeakPolarHBondContact OE2-CE 3.33Å; E310-K330 IonicContact OE2-NZ 2.85Å; E310-K330 PolarHBondContact OE2-NZ 3.39Å; V312-K330 HydrophobicContact CG2-CD 4.4Å; V312-K330 HydrophobicContact CG2-CG 4.34Å; K330-L354 HydrophobicContact CB-CB 4.45Å; K330-L354 HydrophobicContact CB-CD1 4.26Å; K330-L354 HydrophobicContact CD-CD1 4.19Å; K330-E355 CarbonylContact C-O 3.57Å; K330-E355 WeakPolarHBondContact CA-O 3.25Å |
| 331 | L | 98.6 | Very high | 93 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.4 | -174.6 | -54.5 | 179 | 0 | 0 | 0 | 110.3 | I211 R306 F307 P308 I329 E355 L357 | I211-L331 HydrophobicContact CD1-CD1 4.19Å; I211-L331 HydrophobicContact CD1-CD2 4Å; I211-L331 HydrophobicContact CG1-CD1 4.45Å; I211-L331 HydrophobicContact CG2-CD2 4.23Å; R306-L331 HydrophobicContact CB-CB 4.29Å; R306-L331 HydrophobicContact CB-CD1 4.2Å; R306-L331 HydrophobicContact CG-CB 4.44Å; R306-L331 HydrophobicContact CG-CD1 4.22Å; F307-L331 CarbonylContact O-C 3.39Å; F307-L331 WeakPolarHBondContact O-CA 3.05Å; P308-L331 HydrophobicContact CB-CD2 4.23Å; I329-L331 HydrophobicContact CD1-CD2 4.06Å; I329-L331 HydrophobicContact CG1-CD2 3.95Å; I329-L331 HydrophobicContact CG2-CD2 4.07Å; I329-L331 HydrophobicContact CG2-CG 4.35Å; L331-E355 PolarHBondContact N-O 3.34Å; L331-E355 PolarHBondContact O-N 2.69Å; L331-L357 HydrophobicContact CD1-CB 4.1Å; L331-L357 HydrophobicContact CD1-CD2 4.31Å |
| 332 | A | 98.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 143.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R306 F307 K309 I348 L354 | R306-A332 WeakPolarHBondContact CA-O 3.36Å; F307-A332 PolarHBondContact N-O 2.91Å; F307-A332 PolarHBondContact O-N 2.83Å; K309-A332 HydrophobicContact CD-CB 4.48Å; K309-A332 HydrophobicContact CG-CB 3.79Å; A332-I348 HydrophobicContact CB-CG2 3.8Å; A332-L354 HydrophobicContact CB-CD2 3.76Å |
| 333 | T | 98.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.8 | 169.3 | -65.7 | 0 | 0 | 0 | 0 | 110 | D349 E355 | T333-D349 HydrophobicContact CG2-CB 4.4Å; T333-D349 PolarHBondContact O-N 3.39Å; T333-E355 PolarHBondContact OG1-OE1 3.49Å |
| 334 | V | 97.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.5 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | R213 L305 F307 C346 I347 | R213-V334 VanDerWaalsContact O-CG1 3.23Å; R213-V334 WeakPolarHBondContact O-CG1 3.33Å; L305-V334 WeakPolarHBondContact CB-O 3.48Å; L305-V334 PolarHBondContact O-N 3.34Å; F307-V334 HydrophobicContact CB-CG2 3.7Å; V334-C346 HydrophobicContact CG1-CB 3.66Å; V334-I347 CarbonylContact C-O 3.29Å; V334-I347 WeakPolarHBondContact CA-O 3.3Å; V334-I347 WeakPolarHBondContact CG1-O 3.46Å |
| 335 | K | 95.7 | Very high | 94.2 | Very high | 104 Ų | 104 | 49 Ų | 49 | 45% | 0.452 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 147 | 167.3 | -74.3 | 168.6 | 170.5 | 159.7 | 0 | 109.9 | I347 D349 | K335-I347 PolarHBondContact N-O 3.34Å; K335-I347 PolarHBondContact O-N 3.22Å; K335-D349 HydrophobicContact CD-CB 3.94Å; K335-D349 WeakPolarHBondContact CE-OD2 3.35Å; K335-D349 HydrophobicContact CG-CB 4.13Å; K335-D349 IonicContact NZ-OD1 2.78Å; K335-D349 PolarHBondContact NZ-OD1 3.27Å; K335-D349 IonicContact NZ-OD2 3.53Å; K335-D349 PolarHBondContact NZ-OD2 3.05Å |
| 336 | L | 95.5 | Very high | 94.1 | Very high | 35 Ų | 35 | 50.6 Ų | 50.6 | 18% | 0.183 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.2 | 170.1 | -61.3 | -174.2 | 0 | 0 | 0 | 109.8 | R214 T254 L305 Q344 Q345 C346 | R214-L336 HydrophobicContact CB-CD2 4.3Å; R214-L336 HydrophobicContact CG-CD2 4Å; T254-L336 HydrophobicContact CG2-CD1 3.72Å; L305-L336 HydrophobicContact CD2-CD1 4.15Å; L305-L336 HydrophobicContact CD2-CD2 4.15Å; L305-L336 HydrophobicContact CD2-CG 3.8Å; L336-Q344 HydrophobicContact CB-CB 4.25Å; L336-Q344 HydrophobicContact CD1-CB 4.37Å; L336-Q345 CarbonylContact C-O 3.56Å; L336-Q345 VanDerWaalsContact CA-O 3.29Å; L336-Q345 WeakPolarHBondContact CA-O 3.49Å; L336-C346 HydrophobicContact CD2-CB 4.29Å |
| 337 | K | 93.4 | Very high | 94.1 | Very high | 130 Ų | 130 | 54.3 Ų | 54.3 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139 | 176.3 | -176.4 | -179.9 | 178.8 | -177.9 | 0 | 110.1 | Q345 I347 | K337-Q345 PolarHBondContact N-O 2.68Å; K337-Q345 PolarHBondContact O-N 2.95Å; K337-I347 HydrophobicContact CB-CD1 3.67Å; K337-I347 HydrophobicContact CB-CG1 4.35Å; K337-I347 HydrophobicContact CD-CD1 3.48Å; K337-I347 VanDerWaalsContact CD-CD1 3.48Å; K337-I347 HydrophobicContact CG-CD1 4.19Å |
| 338 | G | 91.9 | Very high | 94 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 101.7 | 170.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q344 | G338-Q344 PolarHBondContact O-NE2 3.16Š|
| 339 | P | 89.6 | Confident | 93.9 | Very high | 117 Ų | 117 | 54.5 Ų | 54.5 | 76% | 0.76 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -60.1 | 147.6 | -178.9 | 27.1 | -35 | 0 | 0 | 0 | 111 | G341 Q344 | P339-G341 PolarHBondContact O-N 3.32Å; P339-Q344 WeakPolarHBondContact O-CG 3.24Å |
| 340 | A | 89.2 | Confident | 93.6 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -54.7 | 122.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L264 | L264-A340 HydrophobicContact CD2-CB 4.3Š|
| 341 | G | 87.1 | Confident | 93.4 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 9% | 0.093 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 161.7 | 170.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L217 H218 P339 H343 Q344 | L217-G341 VanDerWaalsContact CD2-CA 3.45Å; H218-G341 PolarHBondContact NE2-O 3.1Å; H218-G341 VanDerWaalsContact NE2-O 3.16Å; P339-G341 PolarHBondContact O-N 3.32Å; G341-H343 PolarHBondContact O-N 2.78Å; G341-Q344 PolarHBondContact O-N 2.76Å |
| 342 | P | 83.9 | Confident | 93.2 | Very high | 84 Ų | 84 | 71.6 Ų | 71.6 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.5 | -177 | 26.2 | -34.7 | 0 | 0 | 0 | 114 | ||
| 343 | H | 89.3 | Confident | 93.1 | Very high | 173 Ų | 173 | 76.6 Ų | 76.6 | 80% | 0.801 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.1 | -175.8 | -56.5 | -61.5 | 0 | 0 | 0 | 114 | G341 Q345 | G341-H343 PolarHBondContact O-N 2.78Å; H343-Q345 PolarHBondContact O-N 2.89Å |
| 344 | Q | 92.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 80.1 Ų | 80.1 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 133.8 | 176 | -72.4 | -179.6 | -58.3 | 0 | 0 | 111.2 | H218 T254 L336 G338 P339 G341 | H218-Q344 PolarHBondContact CE1-OE1 3.18Å; H218-Q344 VanDerWaalsContact CE1-OE1 3.27Å; T254-Q344 PolarHBondContact O-NE2 3.31Å; T254-Q344 PolarHBondContact O-OE1 3.48Å; L336-Q344 HydrophobicContact CB-CB 4.25Å; L336-Q344 HydrophobicContact CD1-CB 4.37Å; G338-Q344 PolarHBondContact O-NE2 3.16Å; P339-Q344 WeakPolarHBondContact O-CG 3.24Å; G341-Q344 PolarHBondContact O-N 2.76Å |
| 345 | Q | 93 | Very high | 93.1 | Very high | 127 Ų | 127 | 82.9 Ų | 82.9 | 59% | 0.593 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 142.2 | 177.6 | -64.7 | -179.2 | -7.5 | 0 | 0 | 110 | L336 K337 H343 | L336-Q345 CarbonylContact C-O 3.56Å; L336-Q345 VanDerWaalsContact CA-O 3.29Å; L336-Q345 WeakPolarHBondContact CA-O 3.49Å; K337-Q345 PolarHBondContact N-O 2.68Å; K337-Q345 PolarHBondContact O-N 2.95Å; H343-Q345 PolarHBondContact O-N 2.89Å |
| 346 | C | 93.4 | Very high | 93.2 | Very high | 50 Ų | 50 | 81.9 Ų | 81.9 | 34% | 0.338 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.4 | 174.1 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | R214 V334 L336 | R214-C346 HydrophobicContact CG-CB 4.09Å; V334-C346 HydrophobicContact CG1-CB 3.66Å; L336-C346 HydrophobicContact CD2-CB 4.29Å |
| 347 | I | 95.9 | Very high | 93.4 | Very high | 79 Ų | 79 | 81.5 Ų | 81.5 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.8 | 177.3 | -56 | 180 | 0 | 0 | 0 | 108.5 | V334 K335 K337 | V334-I347 CarbonylContact C-O 3.29Å; V334-I347 WeakPolarHBondContact CA-O 3.3Å; V334-I347 WeakPolarHBondContact CG1-O 3.46Å; K335-I347 PolarHBondContact N-O 3.34Å; K335-I347 PolarHBondContact O-N 3.22Å; K337-I347 HydrophobicContact CB-CD1 3.67Å; K337-I347 HydrophobicContact CB-CG1 4.35Å; K337-I347 HydrophobicContact CD-CD1 3.48Å; K337-I347 VanDerWaalsContact CD-CD1 3.48Å; K337-I347 HydrophobicContact CG-CD1 4.19Å |
| 348 | I | 96.4 | Very high | 93.6 | Very high | 48 Ų | 48 | 79.4 Ų | 79.4 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.8 | 173.8 | -63.5 | 177.3 | 0 | 0 | 0 | 108.8 | F307 A332 D350 | F307-I348 HydrophobicContact CD1-CD1 4.11Å; F307-I348 HydrophobicContact CG-CD1 4.3Å; A332-I348 HydrophobicContact CB-CG2 3.8Å; I348-D350 WeakPolarHBondContact CG2-OD1 2.98Å; I348-D350 PolarHBondContact O-N 3.29Å |
| 349 | D | 95.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 77.3 Ų | 77.3 | 5% | 0.053 | 43% | 0.425 | C | S | . | . | trans | -89.3 | 84.4 | 176 | -172.3 | 22.2 | 0 | 0 | 0 | 110.2 | T333 K335 N351 R352 | T333-D349 HydrophobicContact CG2-CB 4.4Å; T333-D349 PolarHBondContact O-N 3.39Å; K335-D349 HydrophobicContact CD-CB 3.94Å; K335-D349 WeakPolarHBondContact CE-OD2 3.35Å; K335-D349 HydrophobicContact CG-CB 4.13Å; K335-D349 IonicContact NZ-OD1 2.78Å; K335-D349 PolarHBondContact NZ-OD1 3.27Å; K335-D349 IonicContact NZ-OD2 3.53Å; K335-D349 PolarHBondContact NZ-OD2 3.05Å; D349-N351 PolarHBondContact O-N 3.34Å; D349-R352 PolarHBondContact O-N 3.05Å; D349-R352 VanDerWaalsContact OD2-CD 3.29Å; D349-R352 WeakPolarHBondContact OD2-CD 3.46Å; D349-R352 WeakPolarHBondContact OD2-CG 3.27Å; D349-R352 IonicContact OD2-NE 3.37Å; D349-R352 PolarHBondContact OD2-NE 3.22Å | ||
| 350 | D | 92.8 | Very high | 94.3 | Very high | 133 Ų | 133 | 72.3 Ų | 72.3 | 71% | 0.711 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.6 | -177.1 | -64.4 | -46.2 | 0 | 0 | 0 | 113.7 | I348 R352 | I348-D350 WeakPolarHBondContact CG2-OD1 2.98Å; I348-D350 PolarHBondContact O-N 3.29Å; D350-R352 VanDerWaalsContact C-N 3.28Å; D350-R352 PolarHBondContact O-N 3.42Å |
| 351 | N | 94.3 | Very high | 94.7 | Very high | 148 Ų | 148 | 70.3 Ų | 70.3 | 79% | 0.791 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10.7 | 174.8 | -63.7 | -45.6 | 0 | 0 | 0 | 113.4 | D349 | D349-N351 PolarHBondContact O-N 3.34Š|
| 352 | R | 94.5 | Very high | 95.3 | Very high | 135 Ų | 135 | 69.9 Ų | 69.9 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -101.5 | 137.4 | 176.3 | -74.8 | -176.8 | 179.3 | -157.5 | 1.2 | 110.1 | D349 D350 | D349-R352 PolarHBondContact O-N 3.05Å; D349-R352 VanDerWaalsContact OD2-CD 3.29Å; D349-R352 WeakPolarHBondContact OD2-CD 3.46Å; D349-R352 WeakPolarHBondContact OD2-CG 3.27Å; D349-R352 IonicContact OD2-NE 3.37Å; D349-R352 PolarHBondContact OD2-NE 3.22Å; D350-R352 VanDerWaalsContact C-N 3.28Å; D350-R352 PolarHBondContact O-N 3.42Å |
| 353 | P | 96.3 | Very high | 96 | Very high | 109 Ų | 109 | 65.9 Ų | 65.9 | 71% | 0.708 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 155 | 173.9 | 28.5 | -34.8 | 0 | 0 | 0 | 110.4 | E355 | P353-E355 PolarHBondContact O-N 2.96Š|
| 354 | L | 97.7 | Very high | 96.4 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 42% | 0.419 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -63 | 134.5 | 171.6 | -60.3 | -177.6 | 0 | 0 | 0 | 109.7 | K309 K330 A332 | K309-L354 HydrophobicContact CB-CD1 4.31Å; K309-L354 HydrophobicContact CB-CD2 4.33Å; K309-L354 HydrophobicContact CG-CD2 3.86Å; K330-L354 HydrophobicContact CB-CB 4.45Å; K330-L354 HydrophobicContact CB-CD1 4.26Å; K330-L354 HydrophobicContact CD-CD1 4.19Å; A332-L354 HydrophobicContact CB-CD2 3.76Å |
| 355 | E | 97.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 141.7 | 172.9 | -67.2 | 178.1 | -165.9 | 0 | 0 | 110 | R306 K330 L331 T333 P353 | R306-E355 IonicContact CZ-OE1 3.45Å; R306-E355 VanDerWaalsContact CZ-OE1 3.25Å; R306-E355 IonicContact CZ-OE2 3.06Å; R306-E355 VanDerWaalsContact CZ-OE2 3.31Å; R306-E355 IonicContact NE-OE1 3.51Å; R306-E355 PolarHBondContact NE-OE1 3.48Å; R306-E355 IonicContact NE-OE2 3.07Å; R306-E355 PolarHBondContact NE-OE2 2.96Å; R306-E355 VanDerWaalsContact NH2-CD 3.28Å; R306-E355 IonicContact NH2-OE1 2.68Å; R306-E355 PolarHBondContact NH2-OE1 3.29Å; R306-E355 IonicContact NH2-OE2 3.16Å; R306-E355 PolarHBondContact NH2-OE2 3.22Å; K330-E355 CarbonylContact C-O 3.57Å; K330-E355 WeakPolarHBondContact CA-O 3.25Å; L331-E355 PolarHBondContact N-O 3.34Å; L331-E355 PolarHBondContact O-N 2.69Å; T333-E355 PolarHBondContact OG1-OE1 3.49Å; P353-E355 PolarHBondContact O-N 2.96Å |
| 356 | T | 98.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.9 | 174.1 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | H328 | H328-T356 HydrophobicContact CB-CG2 3.72Å; H328-T356 VanDerWaalsContact CD2-CG2 3.44Å; H328-T356 WeakPolarHBondContact CD2-CG2 3.33Å |
| 357 | L | 98.4 | Very high | 96.6 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 105.7 | 168.2 | 174.3 | 65.5 | 0 | 0 | 0 | 109.1 | A165 T209 I211 H328 I329 L331 C359 | A165-L357 HydrophobicContact CB-CD2 4.01Å; T209-L357 HydrophobicContact CG2-CD2 3.86Å; I211-L357 HydrophobicContact CD1-CD2 4.01Å; H328-L357 VanDerWaalsContact CA-O 3.3Å; H328-L357 WeakPolarHBondContact CA-O 3.34Å; H328-L357 VanDerWaalsContact CB-O 3.27Å; H328-L357 WeakPolarHBondContact CB-O 3.41Å; I329-L357 HydrophobicContact CG2-CB 3.81Å; I329-L357 HydrophobicContact CG2-CD2 3.98Å; I329-L357 HydrophobicContact CG2-CG 4.22Å; I329-L357 PolarHBondContact N-O 2.98Å; I329-L357 PolarHBondContact O-N 2.99Å; L331-L357 HydrophobicContact CD1-CB 4.1Å; L331-L357 HydrophobicContact CD1-CD2 4.31Å; L357-C359 PolarHBondContact O-N 3.13Å |
| 358 | P | 98.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 123.4 | 172.3 | -22.1 | 34 | 0 | 0 | 0 | 110.9 | T163 | T163-P358 WeakPolarHBondContact CG2-O 3.49Å |
| 359 | C | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | trans | -156.3 | 139.4 | 178.2 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | T163 A165 V326 S327 L357 | T163-C359 HydrophobicContact CG2-CB 4.14Å; T163-C359 WeakPolarHBondContact O-CA 3.36Å; T163-C359 WeakPolarHBondContact O-CB 3.34Å; A165-C359 HydrophobicContact CB-CB 4.06Å; V326-C359 WeakPolarHBondContact CG1-O 3.49Å; S327-C359 CarbonylContact C-O 3.6Å; S327-C359 VanDerWaalsContact C-O 3.25Å; S327-C359 PolarHBondContact O-N 2.78Å; S327-C359 VanDerWaalsContact O-O 3.06Å; L357-C359 PolarHBondContact O-N 3.13Å | ||
| 360 | G | 97.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -93.4 | -0.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T163 S324 | T163-G360 PolarHBondContact O-N 2.96Å; S324-G360 WeakPolarHBondContact CB-O 3.31Å; S324-G360 PolarHBondContact OG-O 3.25Å |
| 361 | L | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 139.6 | 177.3 | -164.4 | 77.6 | 0 | 0 | 0 | 109.5 | G135 L137 L159 V164 A165 V363 | G135-L361 WeakPolarHBondContact O-CD1 3.5Å; L137-L361 HydrophobicContact CD1-CD1 3.82Å; L137-L361 HydrophobicContact CD1-CD2 3.99Å; L137-L361 HydrophobicContact CD1-CG 4.22Å; L137-L361 HydrophobicContact CG-CD1 4.02Å; L137-L361 HydrophobicContact CG-CG 4.48Å; L159-L361 HydrophobicContact CD2-CD2 4.14Å; V164-L361 WeakPolarHBondContact CA-O 3.39Å; V164-L361 HydrophobicContact CB-CB 4.48Å; V164-L361 HydrophobicContact CG1-CB 4.2Å; V164-L361 HydrophobicContact CG1-CD2 4.03Å; V164-L361 HydrophobicContact CG1-CG 4.44Å; V164-L361 HydrophobicContact CG2-CB 4.05Å; V164-L361 HydrophobicContact CG2-CD2 4.06Å; A165-L361 PolarHBondContact N-O 3.47Å; L361-V363 HydrophobicContact CD2-CG2 4.33Å |
| 362 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.2 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | G135 V136 L137 A165 I167 I311 V326 I329 | G135-V362 PolarHBondContact O-N 3.09Å; V136-V362 CarbonylContact C-O 3.39Å; V136-V362 WeakPolarHBondContact CA-O 3.21Å; V136-V362 HydrophobicContact CG1-CB 4.2Å; V136-V362 HydrophobicContact CG1-CG1 4.2Å; V136-V362 HydrophobicContact CG2-CB 4.32Å; L137-V362 PolarHBondContact N-O 3.41Å; A165-V362 HydrophobicContact CB-CG2 4.28Å; A165-V362 CarbonylContact O-C 3.48Å; A165-V362 VanDerWaalsContact O-CA 3.28Å; A165-V362 WeakPolarHBondContact O-CA 3.43Å; I167-V362 HydrophobicContact CD1-CG1 3.68Å; I167-V362 HydrophobicContact CG1-CG1 4.22Å; I311-V362 HydrophobicContact CD1-CB 4.22Å; I311-V362 HydrophobicContact CD1-CG1 3.86Å; I311-V362 HydrophobicContact CD1-CG2 4.3Å; I311-V362 HydrophobicContact CG1-CG2 4.49Å; I311-V362 HydrophobicContact CG2-CG2 4.15Å; V326-V362 HydrophobicContact CG1-CG2 4.06Å; I329-V362 HydrophobicContact CB-CG2 4.46Å; I329-V362 HydrophobicContact CD1-CG1 4.42Å |
| 363 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.1 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 110 | L137 A139 L142 V164 A165 I166 I167 V176 L361 S365 | L137-V363 CarbonylContact O-C 3.33Å; L137-V363 VanDerWaalsContact O-CA 3.32Å; L137-V363 WeakPolarHBondContact O-CA 3.31Å; A139-V363 HydrophobicContact CB-CG1 3.83Å; L142-V363 HydrophobicContact CD1-CB 4.26Å; L142-V363 HydrophobicContact CD1-CG1 3.74Å; L142-V363 HydrophobicContact CD1-CG2 3.46Å; L142-V363 VanDerWaalsContact CD1-CG2 3.46Å; V164-V363 HydrophobicContact CG1-CG2 3.87Å; A165-V363 PolarHBondContact O-N 3.22Å; I166-V363 CarbonylContact C-O 3.35Å; I166-V363 WeakPolarHBondContact CA-O 3.44Å; I166-V363 HydrophobicContact CB-CB 4.47Å; I166-V363 HydrophobicContact CG1-CB 4.09Å; I166-V363 HydrophobicContact CG1-CG2 4.41Å; I166-V363 HydrophobicContact CG2-CB 4.35Å; I166-V363 HydrophobicContact CG2-CG1 4.5Å; I167-V363 PolarHBondContact N-O 3.22Å; V176-V363 HydrophobicContact CG1-CG1 4.46Å; L361-V363 HydrophobicContact CD2-CG2 4.33Å; V363-S365 PolarHBondContact O-N 3.09Å |
| 364 | R | 97.8 | Very high | 96.7 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 111.6 | 174.5 | -56.7 | -175.5 | -58.5 | -93.7 | -5.5 | 110.1 | D123 L126 E131 V136 L137 A139 | D123-R364 IonicContact OD2-CZ 2.72Å; D123-R364 IonicContact OD2-NE 2.83Å; D123-R364 IonicContact OD2-NH2 3.19Å; D123-R364 PolarHBondContact OD2-NH2 3.44Å; L126-R364 HydrophobicContact CD1-CG 4.09Å; E131-R364 PolarHBondContact O-NH1 3.33Å; E131-R364 WeakPolarHBondContact OE1-CD 3.37Å; E131-R364 IonicContact OE1-NE 3.27Å; V136-R364 HydrophobicContact CG1-CG 4.3Å; L137-R364 PolarHBondContact O-N 3.2Å; A139-R364 VanDerWaalsContact CB-O 3.22Å; A139-R364 WeakPolarHBondContact CB-O 3.4Å; A139-R364 PolarHBondContact N-O 3.43Å |
| 365 | S | 97.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 37 Ų | 37 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | trans | -124.1 | 46.1 | 176 | -159.4 | 0 | 0 | 0 | 0 | 110.9 | I167 A173 V363 G367 | I167-S365 CarbonylContact O-C 3.51Å; I167-S365 VanDerWaalsContact O-CA 3.25Å; I167-S365 WeakPolarHBondContact O-CA 3.29Å; I167-S365 PolarHBondContact O-N 3.15Å; A173-S365 PolarHBondContact N-OG 3.21Å; V363-S365 PolarHBondContact O-N 3.09Å; S365-G367 VanDerWaalsContact C-N 3.33Å | ||
| 366 | I | 94.9 | Very high | 96.4 | Very high | 57 Ų | 57 | 37.1 Ų | 37.1 | 29% | 0.292 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -94.7 | 15.6 | -174.7 | 54.4 | 160.4 | 0 | 0 | 0 | 113.8 | R124 R125 L126 I167 | R124-I366 HydrophobicContact CB-CD1 3.85Å; R124-I366 HydrophobicContact CB-CG1 4Å; R124-I366 WeakPolarHBondContact O-CD1 3.42Å; R125-I366 WeakPolarHBondContact O-CD1 3.14Å; L126-I366 HydrophobicContact CD2-CD1 3.75Å; L126-I366 HydrophobicContact CD2-CG2 4.13Å; L126-I366 HydrophobicContact CG-CD1 3.83Å; I167-I366 HydrophobicContact CB-CG2 4.32Å; I167-I366 HydrophobicContact CG2-CG2 3.64Å; I167-I366 WeakPolarHBondContact O-CG2 3.38Å |
| 367 | G | 91.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | trans | 100.5 | 173.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R124 S365 | R124-G367 PolarHBondContact N-O 2.84Å; S365-G367 VanDerWaalsContact C-N 3.33Å | ||
| 368 | Y | 92.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 33 Ų | 33 | 13% | 0.129 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 169.9 | -177.3 | -58.3 | -96.2 | 0 | 0 | 0 | 111 | T120 V122 R124 K140 V172 P420 | T120-Y368 WeakPolarHBondContact OG1-CB 3.22Å; V122-Y368 CarbonylContact O-C 3.58Å; V122-Y368 WeakPolarHBondContact O-CA 3.47Å; V122-Y368 WeakPolarHBondContact O-CB 3.47Å; R124-Y368 PolarHBondContact NE-O 3.44Å; K140-Y368 HydrophobicContact CB-CD1 4.45Å; K140-Y368 HydrophobicContact CB-CE1 3.59Å; K140-Y368 HydrophobicContact CG-CE1 3.83Å; V172-Y368 HydrophobicContact CG2-CE2 4.24Å; Y368-P420 HydrophobicContact CD2-CB 4.27Å; Y368-P420 WeakPolarHBondContact O-CG 3.26Å |
| 369 | C | 93.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 30 Ų | 30 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.2 | 176.9 | -162.7 | 0 | 0 | 0 | 0 | 108.5 | T120 A121 V122 R124 G384 | T120-C369 CarbonylContact C-O 3.6Å; T120-C369 WeakPolarHBondContact CA-O 3.24Å; T120-C369 VanDerWaalsContact CB-C 3.49Å; T120-C369 WeakPolarHBondContact CB-O 3.31Å; A121-C369 PolarHBondContact N-O 3.39Å; V122-C369 PolarHBondContact N-O 3.2Å; V122-C369 PolarHBondContact O-N 3.24Å; R124-C369 HydrophobicContact CG-CB 4.33Å; C369-G384 WeakPolarHBondContact SG-CA 3.5Å |
| 370 | G | 95 | Very high | 96.1 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -73.2 | 163.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G384 | G370-G384 WeakPolarHBondContact CA-O 3.16Å; G370-G384 PolarHBondContact N-O 3.5Å | ||
| 371 | V | 95.5 | Very high | 96 | Very high | 56 Ų | 56 | 36.1 Ų | 36.1 | 34% | 0.339 | 19% | 0.193 | S | C | . | . | trans | -127.5 | 149 | 172.2 | -70 | 0 | 0 | 0 | 0 | 109.7 | Y118 V122 I373 F379 | Y118-V371 VanDerWaalsContact CE2-O 3.31Å; Y118-V371 WeakPolarHBondContact CE2-O 3.45Å; Y118-V371 PolarHBondContact OH-O 2.59Å; V122-V371 HydrophobicContact CB-CG1 4.12Å; V122-V371 HydrophobicContact CG2-CG1 3.42Å; V122-V371 VanDerWaalsContact CG2-CG1 3.42Å; V371-I373 HydrophobicContact CG2-CG2 3.89Å; V371-I373 PolarHBondContact O-N 2.89Å; V371-I373 VanDerWaalsContact O-N 3.13Å; V371-F379 VanDerWaalsContact C-CZ 3.47Å | ||
| 372 | R | 97.3 | Very high | 95.7 | Very high | 118 Ų | 118 | 44 Ų | 44 | 45% | 0.445 | 23% | 0.23 | S | C | . | . | trans | -70.8 | 101.7 | 167.3 | -179.2 | 165 | 47.7 | 143.4 | -0.8 | 109 | D374 P375 L377 F379 E381 | R372-D374 WeakPolarHBondContact CG-O 3.47Å; R372-P375 PolarHBondContact NH1-O 2.97Å; R372-L377 WeakPolarHBondContact CD-O 3.29Å; R372-L377 HydrophobicContact CG-CB 4.33Å; R372-F379 HydrophobicContact CB-CB 3.96Å; R372-F379 HydrophobicContact CB-CD1 3.93Å; R372-F379 HydrophobicContact CB-CD2 4.14Å; R372-F379 HydrophobicContact CB-CG 3.74Å; R372-F379 HydrophobicContact CG-CB 4.12Å; R372-F379 HydrophobicContact CG-CG 4.39Å; R372-E381 IonicContact CZ-OE1 2.77Å; R372-E381 IonicContact NE-OE1 3.61Å; R372-E381 PolarHBondContact NE-OE1 2.87Å; R372-E381 IonicContact NH2-OE1 3.6Å; R372-E381 PolarHBondContact NH2-OE1 2.8Å | ||
| 373 | I | 97 | Very high | 95.4 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -80.2 | -21.6 | -176.9 | 59.5 | 172.9 | 0 | 0 | 0 | 113.3 | V28 I98 G99 W116 Y118 V371 L377 | V28-I373 HydrophobicContact CG1-CD1 4.06Å; I98-I373 HydrophobicContact CB-CD1 4.43Å; I98-I373 HydrophobicContact CG2-CD1 4.47Å; G99-I373 VanDerWaalsContact CA-O 3.3Å; G99-I373 WeakPolarHBondContact CA-O 3.46Å; W116-I373 HydrophobicContact CE3-CD1 4.07Å; W116-I373 HydrophobicContact CZ3-CD1 3.69Å; W116-I373 HydrophobicContact CZ3-CG1 4.25Å; Y118-I373 HydrophobicContact CD1-CD1 3.67Å; Y118-I373 HydrophobicContact CD1-CG1 4.5Å; Y118-I373 HydrophobicContact CD2-CD1 4.47Å; Y118-I373 HydrophobicContact CD2-CG2 4.26Å; Y118-I373 HydrophobicContact CE1-CD1 3.58Å; Y118-I373 HydrophobicContact CE1-CG1 3.94Å; Y118-I373 HydrophobicContact CE2-CD1 4.4Å; Y118-I373 HydrophobicContact CE2-CG1 4.45Å; Y118-I373 HydrophobicContact CE2-CG2 3.86Å; Y118-I373 HydrophobicContact CG-CD1 4.11Å; V371-I373 HydrophobicContact CG2-CG2 3.89Å; V371-I373 PolarHBondContact O-N 2.89Å; V371-I373 VanDerWaalsContact O-N 3.13Å; I373-L377 HydrophobicContact CG1-CD2 4.35Å |
| 374 | D | 97.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -131.1 | 134.8 | 175.9 | -171 | -70.1 | 0 | 0 | 0 | 109 | K103 L104 R372 D376 L377 | K103-D374 WeakPolarHBondContact CA-OD2 3.48Å; L104-D374 HydrophobicContact CB-CB 4.23Å; L104-D374 PolarHBondContact N-OD2 3.46Å; R372-D374 WeakPolarHBondContact CG-O 3.47Å; D374-D376 PolarHBondContact O-N 3.4Å; D374-D376 PolarHBondContact OD1-N 2.78Å; D374-L377 HydrophobicContact CB-CB 4.49Å; D374-L377 VanDerWaalsContact O-CB 3.26Å; D374-L377 WeakPolarHBondContact O-CB 3.41Å; D374-L377 PolarHBondContact O-N 2.77Å |
| 375 | P | 95.5 | Very high | 95.3 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 59% | 0.591 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.8 | -175.2 | 23.5 | -35 | 0 | 0 | 0 | 113.9 | R372 L377 | R372-P375 PolarHBondContact NH1-O 2.97Å; P375-L377 VanDerWaalsContact C-N 3.29Å; P375-L377 PolarHBondContact O-N 3.18Å |
| 376 | D | 94.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 34% | 0.342 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8.7 | -179.7 | -75.2 | -11.8 | 0 | 0 | 0 | 112.7 | L104 R105 D374 L398 | L104-D376 HydrophobicContact CD2-CB 4.07Å; R105-D376 WeakPolarHBondContact CG-OD2 3.35Å; R105-D376 IonicContact CZ-OD2 3.36Å; R105-D376 IonicContact NE-OD2 3.4Å; R105-D376 PolarHBondContact NE-OD2 2.93Å; R105-D376 IonicContact NH2-OD2 3.62Å; D374-D376 PolarHBondContact O-N 3.4Å; D374-D376 PolarHBondContact OD1-N 2.78Å; D376-L398 WeakPolarHBondContact O-CD2 3.3Å |
| 377 | L | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74.3 | 125.4 | -176.7 | -172 | 62.3 | 0 | 0 | 0 | 111.2 | L104 W116 Y118 R372 I373 D374 P375 F379 I386 | L104-L377 HydrophobicContact CD2-CB 4.46Å; L104-L377 HydrophobicContact CD2-CD1 4.35Å; W116-L377 HydrophobicContact CD2-CD1 4.14Å; W116-L377 HydrophobicContact CD2-CD2 4.45Å; W116-L377 VanDerWaalsContact CE2-CD1 3.44Å; W116-L377 HydrophobicContact CG-CD1 4.46Å; W116-L377 HydrophobicContact CH2-CD1 4.46Å; W116-L377 HydrophobicContact CZ2-CD1 3.61Å; Y118-L377 HydrophobicContact CE1-CD2 4.29Å; Y118-L377 WeakPolarHBondContact OH-CD2 3.3Å; R372-L377 WeakPolarHBondContact CD-O 3.29Å; R372-L377 HydrophobicContact CG-CB 4.33Å; I373-L377 HydrophobicContact CG1-CD2 4.35Å; D374-L377 HydrophobicContact CB-CB 4.49Å; D374-L377 VanDerWaalsContact O-CB 3.26Å; D374-L377 WeakPolarHBondContact O-CB 3.41Å; D374-L377 PolarHBondContact O-N 2.77Å; P375-L377 VanDerWaalsContact C-N 3.29Å; P375-L377 PolarHBondContact O-N 3.18Å; L377-F379 PolarHBondContact O-N 2.92Å; L377-I386 HydrophobicContact CD1-CD1 4.22Å; L377-I386 HydrophobicContact CD1-CG1 4.41Å; L377-I386 HydrophobicContact CD1-CG2 4.49Å; L377-I386 HydrophobicContact CD2-CD1 3.81Å; L377-I386 HydrophobicContact CD2-CG1 3.85Å; L377-I386 HydrophobicContact CG-CD1 4.32Å; L377-I386 HydrophobicContact CG-CG1 4.14Å |
| 378 | P | 96.7 | Very high | 95.8 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | trans | -66.2 | 117.1 | 176.5 | -21.6 | 36.9 | 0 | 0 | 0 | 109.7 | I386 L387 V395 V396 L398 | P378-I386 WeakPolarHBondContact O-CA 3.29Å; P378-I386 WeakPolarHBondContact O-CG2 3.22Å; P378-L387 HydrophobicContact CB-CB 4.01Å; P378-L387 HydrophobicContact CB-CD1 4.26Å; P378-L387 PolarHBondContact O-N 3.23Å; P378-V395 HydrophobicContact CG-CG1 4.2Å; P378-V396 HydrophobicContact CB-CB 4.29Å; P378-L398 HydrophobicContact CG-CD2 3.52Å | ||
| 379 | F | 97.6 | Very high | 96 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 136.6 | -167.8 | -156.9 | -98.3 | 0 | 0 | 0 | 111.9 | V371 R372 L377 E381 V385 I386 I416 | V371-F379 VanDerWaalsContact C-CZ 3.47Å; R372-F379 HydrophobicContact CB-CB 3.96Å; R372-F379 HydrophobicContact CB-CD1 3.93Å; R372-F379 HydrophobicContact CB-CD2 4.14Å; R372-F379 HydrophobicContact CB-CG 3.74Å; R372-F379 HydrophobicContact CG-CB 4.12Å; R372-F379 HydrophobicContact CG-CG 4.39Å; L377-F379 PolarHBondContact O-N 2.92Å; F379-E381 HydrophobicContact CD1-CG 4.29Å; F379-E381 WeakPolarHBondContact CD1-OE2 3.47Å; F379-V385 WeakPolarHBondContact CD2-O 3.4Å; F379-V385 VanDerWaalsContact CE2-C 3.41Å; F379-V385 WeakPolarHBondContact CE2-O 3.21Å; F379-I386 HydrophobicContact CD2-CG1 3.9Å; F379-I386 HydrophobicContact CE2-CG1 4.08Å; F379-I416 HydrophobicContact CE2-CD1 3.81Å; F379-I416 HydrophobicContact CZ-CD1 4.27Å |
| 380 | D | 96.5 | Very high | 96.1 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 97.1 | 169.7 | -176.8 | -22 | 0 | 0 | 0 | 108 | Q382 N383 G384 V385 L387 | D380-Q382 PolarHBondContact O-N 2.98Å; D380-Q382 WeakPolarHBondContact OD1-CA 3.28Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.32Å; D380-Q382 PolarHBondContact OD1-N 2.83Å; D380-N383 HydrophobicContact CB-CB 4.47Å; D380-N383 PolarHBondContact O-N 2.72Å; D380-N383 PolarHBondContact OD1-N 3.31Å; D380-N383 PolarHBondContact OD2-ND2 2.94Å; D380-G384 WeakPolarHBondContact O-CA 3.47Å; D380-G384 PolarHBondContact O-N 3.33Å; D380-V385 HydrophobicContact CB-CG2 4.09Å; D380-V385 PolarHBondContact N-O 3.29Å; D380-V385 PolarHBondContact O-N 3.3Å; D380-L387 HydrophobicContact CB-CD2 3.82Å; D380-L387 HydrophobicContact CB-CG 4.26Å |
| 381 | E | 94.8 | Very high | 96.1 | Very high | 108 Ų | 108 | 59.7 Ų | 59.7 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.3 | -180 | -59.1 | -72.5 | -171.2 | 0 | 0 | 111.9 | R372 F379 | R372-E381 IonicContact CZ-OE1 2.77Å; R372-E381 IonicContact NE-OE1 3.61Å; R372-E381 PolarHBondContact NE-OE1 2.87Å; R372-E381 IonicContact NH2-OE1 3.6Å; R372-E381 PolarHBondContact NH2-OE1 2.8Å; F379-E381 HydrophobicContact CD1-CG 4.29Å; F379-E381 WeakPolarHBondContact CD1-OE2 3.47Å |
| 382 | Q | 92.5 | Very high | 96.2 | Very high | 167 Ų | 167 | 59.6 Ų | 59.6 | 78% | 0.78 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -44.2 | -179.2 | -176.1 | 179 | 11.8 | 0 | 0 | 111.6 | D380 | D380-Q382 PolarHBondContact O-N 2.98Å; D380-Q382 WeakPolarHBondContact OD1-CA 3.28Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.32Å; D380-Q382 PolarHBondContact OD1-N 2.83Å |
| 383 | N | 92.7 | Very high | 96.3 | Very high | 85 Ų | 85 | 54 Ų | 54 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -16.5 | 179.3 | -70.1 | -56.8 | 0 | 0 | 0 | 113.1 | D380 V385 | D380-N383 HydrophobicContact CB-CB 4.47Å; D380-N383 PolarHBondContact O-N 2.72Å; D380-N383 PolarHBondContact OD1-N 3.31Å; D380-N383 PolarHBondContact OD2-ND2 2.94Å; N383-V385 HydrophobicContact CB-CG2 3.92Å |
| 384 | G | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 38.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C369 G370 D380 | C369-G384 WeakPolarHBondContact SG-CA 3.5Å; G370-G384 WeakPolarHBondContact CA-O 3.16Å; G370-G384 PolarHBondContact N-O 3.5Å; D380-G384 WeakPolarHBondContact O-CA 3.47Å; D380-G384 PolarHBondContact O-N 3.33Å |
| 385 | V | 97.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.8 | -175.1 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | F379 D380 N383 I416 | F379-V385 WeakPolarHBondContact CD2-O 3.4Å; F379-V385 VanDerWaalsContact CE2-C 3.41Å; F379-V385 WeakPolarHBondContact CE2-O 3.21Å; D380-V385 HydrophobicContact CB-CG2 4.09Å; D380-V385 PolarHBondContact N-O 3.29Å; D380-V385 PolarHBondContact O-N 3.3Å; N383-V385 HydrophobicContact CB-CG2 3.92Å; V385-I416 WeakPolarHBondContact CA-O 3.39Å; V385-I416 VanDerWaalsContact CB-O 3.31Å; V385-I416 WeakPolarHBondContact CB-O 3.34Å |
| 386 | I | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 138.8 | 171.1 | -69.5 | 167.4 | 0 | 0 | 0 | 109.2 | W116 Y118 L377 P378 F379 C388 V395 C412 I416 | W116-I386 HydrophobicContact CB-CD1 3.33Å; W116-I386 HydrophobicContact CD2-CD1 4.26Å; W116-I386 HydrophobicContact CG-CD1 3.52Å; Y118-I386 HydrophobicContact CE1-CD1 3.86Å; L377-I386 HydrophobicContact CD1-CD1 4.22Å; L377-I386 HydrophobicContact CD1-CG1 4.41Å; L377-I386 HydrophobicContact CD1-CG2 4.49Å; L377-I386 HydrophobicContact CD2-CD1 3.81Å; L377-I386 HydrophobicContact CD2-CG1 3.85Å; L377-I386 HydrophobicContact CG-CD1 4.32Å; L377-I386 HydrophobicContact CG-CG1 4.14Å; P378-I386 WeakPolarHBondContact O-CA 3.29Å; P378-I386 WeakPolarHBondContact O-CG2 3.22Å; F379-I386 HydrophobicContact CD2-CG1 3.9Å; F379-I386 HydrophobicContact CE2-CG1 4.08Å; I386-C388 PolarHBondContact O-N 2.91Å; I386-C388 PolarHBondContact O-SG 3.25Å; I386-C388 VanDerWaalsContact O-SG 3.33Å; I386-V395 HydrophobicContact CG2-CB 4.27Å; I386-V395 HydrophobicContact CG2-CG1 3.63Å; I386-V395 HydrophobicContact CG2-CG2 3.66Å; I386-C412 HydrophobicContact CB-CB 4.42Å; I386-C412 HydrophobicContact CG2-CB 4.39Å; I386-I416 HydrophobicContact CD1-CG1 3.62Å; I386-I416 HydrophobicContact CD1-CG2 4.37Å; I386-I416 HydrophobicContact CG1-CD1 4.39Å; I386-I416 HydrophobicContact CG1-CG1 3.79Å; I386-I416 PolarHBondContact N-O 2.67Å |
| 387 | L | 97.9 | Very high | 96.3 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | trans | -69.8 | 113.4 | 175.2 | -71.7 | 168.9 | 0 | 0 | 0 | 109.8 | P378 D380 V395 V396 | P378-L387 HydrophobicContact CB-CB 4.01Å; P378-L387 HydrophobicContact CB-CD1 4.26Å; P378-L387 PolarHBondContact O-N 3.23Å; D380-L387 HydrophobicContact CB-CD2 3.82Å; D380-L387 HydrophobicContact CB-CG 4.26Å; L387-V395 WeakPolarHBondContact O-CG1 3.46Å; L387-V396 HydrophobicContact CB-CB 4.48Å; L387-V396 HydrophobicContact CB-CG2 3.94Å; L387-V396 PolarHBondContact O-N 3.35Å | ||
| 388 | C | 97.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 25% | 0.25 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -110.5 | 134.8 | 177.8 | -52.1 | 0 | 0 | 0 | 0 | 109.5 | I386 D390 R394 C412 | I386-C388 PolarHBondContact O-N 2.91Å; I386-C388 PolarHBondContact O-SG 3.25Å; I386-C388 VanDerWaalsContact O-SG 3.33Å; C388-D390 PolarHBondContact O-N 2.91Å; C388-R394 CarbonylContact C-O 3.4Å; C388-R394 VanDerWaalsContact C-O 3.32Å; C388-R394 WeakPolarHBondContact CA-O 3.48Å; C388-R394 VanDerWaalsContact CB-O 3.23Å; C388-R394 WeakPolarHBondContact CB-O 3.42Å; C388-C412 WeakPolarHBondContact CB-SG 3.34Å; C388-C412 WeakPolarHBondContact SG-CB 3.46Å; C388-C412 CovalentContact SG-SG 2.07Å; C388-C412 PolarHBondContact SG-SG 3.25Å |
| 389 | K | 96.3 | Very high | 95.3 | Very high | 109 Ų | 109 | 59 Ų | 59 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -76.2 | -10.4 | -177.7 | 62.6 | -175.6 | 171.6 | -166.6 | 0 | 113.4 | R394 V396 D397 | K389-R394 HydrophobicContact CD-CB 4.29Å; K389-R394 HydrophobicContact CG-CB 3.74Å; K389-R394 WeakPolarHBondContact CG-O 3.45Å; K389-R394 PolarHBondContact N-O 3.02Å; K389-V396 HydrophobicContact CB-CG2 4.3Å; K389-D397 IonicContact NZ-OD1 2.74Å; K389-D397 PolarHBondContact NZ-OD1 2.83Å; K389-D397 IonicContact NZ-OD2 3.57Å; K389-D397 PolarHBondContact NZ-OD2 3.38Å |
| 390 | D | 96.7 | Very high | 94.3 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -148.1 | 173.1 | 173.7 | 64.8 | 28.2 | 0 | 0 | 0 | 111.8 | C388 N392 G393 R394 | C388-D390 PolarHBondContact O-N 2.91Å; D390-N392 PolarHBondContact O-N 3.44Å; D390-N392 WeakPolarHBondContact OD1-CA 3.1Å; D390-N392 WeakPolarHBondContact OD1-CB 3.33Å; D390-N392 PolarHBondContact OD1-N 3.35Å; D390-G393 PolarHBondContact OD1-N 2.88Å; D390-R394 PolarHBondContact OD1-N 2.7Å; D390-R394 VanDerWaalsContact OD2-CD 3.24Å; D390-R394 WeakPolarHBondContact OD2-CD 3.46Å; D390-R394 VanDerWaalsContact OD2-CG 3.29Å; D390-R394 WeakPolarHBondContact OD2-CG 3.23Å; D390-R394 IonicContact OD2-CZ 3.68Å; D390-R394 IonicContact OD2-NE 3.15Å; D390-R394 IonicContact OD2-NH1 3.21Å; D390-R394 PolarHBondContact OD2-NH1 2.69Å |
| 391 | N | 95.3 | Very high | 93.2 | Very high | 145 Ų | 145 | 66.4 Ų | 66.4 | 78% | 0.775 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -5.8 | 176.2 | -66.9 | -29.7 | 0 | 0 | 0 | 113.5 | G393 K417 | N391-G393 VanDerWaalsContact C-N 3.35Å; N391-K417 WeakPolarHBondContact O-CE 3.33Å; N391-K417 PolarHBondContact O-NZ 3.17Å |
| 392 | N | 97.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 67.1 Ų | 67.1 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -11 | -180 | -69.1 | -35.8 | 0 | 0 | 0 | 112 | D390 K417 Q433 T434 T437 | D390-N392 PolarHBondContact O-N 3.44Å; D390-N392 WeakPolarHBondContact OD1-CA 3.1Å; D390-N392 WeakPolarHBondContact OD1-CB 3.33Å; D390-N392 PolarHBondContact OD1-N 3.35Å; N392-K417 PolarHBondContact O-NZ 2.94Å; N392-Q433 PolarHBondContact OD1-NE2 3.36Å; N392-T434 PolarHBondContact O-OG1 2.9Å; N392-T437 HydrophobicContact CB-CG2 3.86Å; N392-T437 WeakPolarHBondContact CB-OG1 3.32Å |
| 393 | G | 98 | Very high | 91 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | 101.2 | 18.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | D390 N391 V395 Y411 C412 | D390-G393 PolarHBondContact OD1-N 2.88Å; N391-G393 VanDerWaalsContact C-N 3.35Å; G393-V395 PolarHBondContact O-N 2.83Å; G393-Y411 CarbonylContact O-C 3.54Å; G393-Y411 WeakPolarHBondContact O-CA 3.48Å; G393-C412 WeakPolarHBondContact CA-SG 3.43Å; G393-C412 PolarHBondContact O-N 2.65Å; G393-C412 PolarHBondContact O-SG 2.94Å | ||
| 394 | R | 98.3 | Very high | 90.3 | Very high | 55 Ų | 55 | 68 Ų | 68 | 21% | 0.208 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -69.4 | 123.9 | 168.8 | -63.8 | -173.6 | 178.3 | 88 | -4.1 | 108.8 | C388 K389 D390 Y411 T437 D441 | C388-R394 CarbonylContact C-O 3.4Å; C388-R394 VanDerWaalsContact C-O 3.32Å; C388-R394 WeakPolarHBondContact CA-O 3.48Å; C388-R394 VanDerWaalsContact CB-O 3.23Å; C388-R394 WeakPolarHBondContact CB-O 3.42Å; K389-R394 HydrophobicContact CD-CB 4.29Å; K389-R394 HydrophobicContact CG-CB 3.74Å; K389-R394 WeakPolarHBondContact CG-O 3.45Å; K389-R394 PolarHBondContact N-O 3.02Å; D390-R394 PolarHBondContact OD1-N 2.7Å; D390-R394 VanDerWaalsContact OD2-CD 3.24Å; D390-R394 WeakPolarHBondContact OD2-CD 3.46Å; D390-R394 VanDerWaalsContact OD2-CG 3.29Å; D390-R394 WeakPolarHBondContact OD2-CG 3.23Å; D390-R394 IonicContact OD2-CZ 3.68Å; D390-R394 IonicContact OD2-NE 3.15Å; D390-R394 IonicContact OD2-NH1 3.21Å; D390-R394 PolarHBondContact OD2-NH1 2.69Å; R394-Y411 HydrophobicContact CG-CD1 4.09Å; R394-Y411 HydrophobicContact CG-CE1 3.77Å; R394-T437 HydrophobicContact CG-CG2 4.12Å; R394-T437 VanDerWaalsContact NH2-CG2 3.29Å; R394-D441 IonicContact CZ-OD1 3.55Å; R394-D441 IonicContact CZ-OD2 2.66Å; R394-D441 IonicContact NE-OD1 3.56Å; R394-D441 PolarHBondContact NE-OD1 3.36Å; R394-D441 IonicContact NE-OD2 3.97Å; R394-D441 PolarHBondContact NE-OD2 2.89Å; R394-D441 IonicContact NH2-OD1 3.7Å; R394-D441 PolarHBondContact NH2-OD1 2.8Å; R394-D441 IonicContact NH2-OD2 3.11Å; R394-D441 PolarHBondContact NH2-OD2 2.69Å |
| 395 | V | 98.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 151.4 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | P378 I386 L387 G393 M410 C412 | P378-V395 HydrophobicContact CG-CG1 4.2Å; I386-V395 HydrophobicContact CG2-CB 4.27Å; I386-V395 HydrophobicContact CG2-CG1 3.63Å; I386-V395 HydrophobicContact CG2-CG2 3.66Å; L387-V395 WeakPolarHBondContact O-CG1 3.46Å; G393-V395 PolarHBondContact O-N 2.83Å; V395-M410 HydrophobicContact CB-CB 3.76Å; V395-M410 HydrophobicContact CB-CE 4.46Å; V395-M410 WeakPolarHBondContact CB-O 3.43Å; V395-M410 HydrophobicContact CG1-CB 4.3Å; V395-M410 HydrophobicContact CG1-CE 3.85Å; V395-M410 HydrophobicContact CG2-CB 4Å; V395-M410 PolarHBondContact N-O 2.91Å; V395-C412 HydrophobicContact CG2-CB 3.96Å |
| 396 | V | 96.7 | Very high | 88.9 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 137.7 | 172.2 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | P378 L387 K389 | P378-V396 HydrophobicContact CB-CB 4.29Å; L387-V396 HydrophobicContact CB-CB 4.48Å; L387-V396 HydrophobicContact CB-CG2 3.94Å; L387-V396 PolarHBondContact O-N 3.35Å; K389-V396 HydrophobicContact CB-CG2 4.3Å |
| 397 | D | 90.5 | Very high | 88.3 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 136.6 | -178 | -58.7 | -44 | 0 | 0 | 0 | 110.3 | K389 | K389-D397 IonicContact NZ-OD1 2.74Å; K389-D397 PolarHBondContact NZ-OD1 2.83Å; K389-D397 IonicContact NZ-OD2 3.57Å; K389-D397 PolarHBondContact NZ-OD2 3.38Å |
| 398 | L | 89.6 | Confident | 88 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 149 | 174.5 | -67.4 | -179.8 | 0 | 0 | 0 | 110.6 | L104 D376 P378 Q400 L407 M410 | L104-L398 HydrophobicContact CD2-CD1 3.97Å; D376-L398 WeakPolarHBondContact O-CD2 3.3Å; P378-L398 HydrophobicContact CG-CD2 3.52Å; L398-Q400 PolarHBondContact O-N 3.34Å; L398-L407 HydrophobicContact CB-CD1 4.24Å; L398-M410 HydrophobicContact CD1-CE 3.84Å; L398-M410 HydrophobicContact CD2-CE 4.28Å; L398-M410 HydrophobicContact CG-CE 3.71Å |
| 399 | P | 83.7 | Confident | 87.8 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -57 | 135.7 | 169.9 | 25.2 | -33 | 0 | 0 | 0 | 109.3 | V401 | P399-V401 PolarHBondContact O-N 3.13Š|
| 400 | Q | 75.2 | Confident | 87.9 | Confident | 149 Ų | 149 | 64 Ų | 64 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 118.3 | 171.8 | -66.5 | -67.2 | -9.1 | 0 | 0 | 107.9 | L398 | L398-Q400 PolarHBondContact O-N 3.34Š|
| 401 | V | 74 | Confident | 88 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 39% | 0.394 | 34% | 0.339 | S | S | . | . | trans | -108.4 | 149.1 | 169.7 | -179 | 0 | 0 | 0 | 0 | 106.1 | P399 Y403 | P399-V401 PolarHBondContact O-N 3.13Å; V401-Y403 VanDerWaalsContact C-N 3.26Å; V401-Y403 HydrophobicContact CB-CD2 3.87Å; V401-Y403 HydrophobicContact CB-CE2 3.48Å; V401-Y403 VanDerWaalsContact CB-CE2 3.48Å; V401-Y403 HydrophobicContact CG1-CD2 4.33Å; V401-Y403 HydrophobicContact CG1-CE2 3.86Å; V401-Y403 HydrophobicContact CG2-CE2 4.23Å; V401-Y403 PolarHBondContact O-N 3.08Å | ||
| 402 | S | 72.3 | Confident | 88.1 | Confident | 123 Ų | 123 | 55.3 Ų | 55.3 | 86% | 0.86 | 30% | 0.302 | S | S | * | . | trans | -64.2 | 82.2 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 403 | Y | 69.4 | Low | 88.2 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 35% | 0.353 | 29% | 0.288 | S | S | . | . | trans | -108.7 | 154.9 | 170.1 | -64.7 | -66.4 | 0 | 0 | 0 | 110 | R105 V401 F405 L407 | R105-Y403 HydrophobicContact CG-CE2 4.47Å; V401-Y403 VanDerWaalsContact C-N 3.26Å; V401-Y403 HydrophobicContact CB-CD2 3.87Å; V401-Y403 HydrophobicContact CB-CE2 3.48Å; V401-Y403 VanDerWaalsContact CB-CE2 3.48Å; V401-Y403 HydrophobicContact CG1-CD2 4.33Å; V401-Y403 HydrophobicContact CG1-CE2 3.86Å; V401-Y403 HydrophobicContact CG2-CE2 4.23Å; V401-Y403 PolarHBondContact O-N 3.08Å; Y403-F405 HydrophobicContact CD1-CE1 4.2Å; Y403-F405 HydrophobicContact CD1-CZ 4.28Å; Y403-F405 HydrophobicContact CD2-CZ 4.32Å; Y403-F405 HydrophobicContact CG-CE1 4.08Å; Y403-F405 AromaticContact CG-CZ 3.96Å; Y403-F405 HydrophobicContact CG-CZ 3.96Å; Y403-F405 PolarHBondContact O-N 3.42Å; Y403-F405 VanDerWaalsContact O-N 3.12Å; Y403-L407 HydrophobicContact CD2-CD2 4.37Å | ||
| 404 | N | 78.1 | Confident | 88.1 | Confident | 180 Ų | 180 | 52.7 Ų | 52.7 | 96% | 0.963 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -79.4 | 18.6 | 177.5 | -66.8 | -12.3 | 0 | 0 | 0 | 113.3 | ||
| 405 | F | 79.5 | Confident | 88.1 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -145.9 | 148.6 | -179.3 | 60.2 | -98 | 0 | 0 | 0 | 111.4 | R105 Q108 E109 Y403 L407 | R105-F405 WeakPolarHBondContact O-CZ 3.29Å; Q108-F405 HydrophobicContact CB-CD2 4.48Å; Q108-F405 HydrophobicContact CB-CE2 3.76Å; E109-F405 HydrophobicContact CB-CD1 4.04Å; E109-F405 HydrophobicContact CB-CE1 3.96Å; E109-F405 HydrophobicContact CB-CE2 4.46Å; E109-F405 HydrophobicContact CB-CG 4.33Å; E109-F405 HydrophobicContact CB-CZ 4.19Å; E109-F405 HydrophobicContact CG-CD1 4.09Å; E109-F405 HydrophobicContact CG-CE1 4.38Å; E109-F405 HydrophobicContact CG-CG 4.49Å; Y403-F405 HydrophobicContact CD1-CE1 4.2Å; Y403-F405 HydrophobicContact CD1-CZ 4.28Å; Y403-F405 HydrophobicContact CD2-CZ 4.32Å; Y403-F405 HydrophobicContact CG-CE1 4.08Å; Y403-F405 AromaticContact CG-CZ 3.96Å; Y403-F405 HydrophobicContact CG-CZ 3.96Å; Y403-F405 PolarHBondContact O-N 3.42Å; Y403-F405 VanDerWaalsContact O-N 3.12Å; F405-L407 HydrophobicContact CE2-CD2 4.19Å |
| 406 | S | 83 | Confident | 88.1 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 136.9 | 175 | -55 | 0 | 0 | 0 | 0 | 111.3 | D452 K456 | S406-D452 WeakPolarHBondContact OG-CB 3.41Å; S406-K456 PolarHBondContact O-NZ 3.03Å |
| 407 | L | 85.9 | Confident | 88.1 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 131.8 | 176.6 | -60.2 | -174 | 0 | 0 | 0 | 110.9 | L398 Y403 F405 | L398-L407 HydrophobicContact CB-CD1 4.24Å; Y403-L407 HydrophobicContact CD2-CD2 4.37Å; F405-L407 HydrophobicContact CE2-CD2 4.19Å |
| 408 | S | 91.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 138.3 | 178.8 | -44.5 | 0 | 0 | 0 | 0 | 111 | Q108 Y111 | Q108-S408 PolarHBondContact O-OG 2.74Å; Q108-S408 VanDerWaalsContact O-OG 3.1Å; Y111-S408 VanDerWaalsContact O-CB 3.3Å; Y111-S408 WeakPolarHBondContact O-CB 3.35Å; Y111-S408 PolarHBondContact O-OG 3.23Å |
| 409 | P | 94.4 | Very high | 88.5 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 142.6 | 170.4 | 27.3 | -36.7 | 0 | 0 | 0 | 110.8 | S112 V113 I114 Y411 F445 | S112-P409 WeakPolarHBondContact O-CD 3.19Å; V113-P409 HydrophobicContact CG2-CG 4.38Å; I114-P409 PolarHBondContact N-O 2.82Å; P409-Y411 HydrophobicContact CB-CE2 3.91Å; P409-Y411 HydrophobicContact CG-CE2 4.31Å; P409-F445 HydrophobicContact CB-CE2 4.45Å; P409-F445 HydrophobicContact CB-CZ 4.38Å; P409-F445 HydrophobicContact CG-CE2 3.73Å; P409-F445 HydrophobicContact CG-CZ 4.03Å |
| 410 | M | 97.7 | Very high | 88.8 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 144.2 | -177.6 | -65.7 | -169.2 | -65.4 | 0 | 0 | 111 | L104 I114 W116 V395 L398 | L104-M410 HydrophobicContact CD1-SD 3.8Å; L104-M410 HydrophobicContact CD2-SD 4.06Å; L104-M410 HydrophobicContact CG-SD 4.49Å; I114-M410 HydrophobicContact CB-CG 4.22Å; I114-M410 CarbonylContact O-C 3.37Å; I114-M410 VanDerWaalsContact O-CA 3.31Å; I114-M410 WeakPolarHBondContact O-CA 3.35Å; W116-M410 HydrophobicContact CZ2-SD 4.33Å; V395-M410 HydrophobicContact CB-CB 3.76Å; V395-M410 HydrophobicContact CB-CE 4.46Å; V395-M410 WeakPolarHBondContact CB-O 3.43Å; V395-M410 HydrophobicContact CG1-CB 4.3Å; V395-M410 HydrophobicContact CG1-CE 3.85Å; V395-M410 HydrophobicContact CG2-CB 4Å; V395-M410 PolarHBondContact N-O 2.91Å; L398-M410 HydrophobicContact CD1-CE 3.84Å; L398-M410 HydrophobicContact CD2-CE 4.28Å; L398-M410 HydrophobicContact CG-CE 3.71Å |
| 411 | Y | 98.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.3 | 179.7 | -58 | -98.7 | 0 | 0 | 0 | 111 | V113 I114 I115 W116 G393 R394 P409 T437 I438 D441 | V113-Y411 HydrophobicContact CG1-CD2 3.57Å; V113-Y411 HydrophobicContact CG1-CE2 3.67Å; I114-Y411 PolarHBondContact O-N 3.09Å; I115-Y411 CarbonylContact C-O 3.58Å; I115-Y411 WeakPolarHBondContact CA-O 3.39Å; W116-Y411 PolarHBondContact N-O 2.89Å; G393-Y411 CarbonylContact O-C 3.54Å; G393-Y411 WeakPolarHBondContact O-CA 3.48Å; R394-Y411 HydrophobicContact CG-CD1 4.09Å; R394-Y411 HydrophobicContact CG-CE1 3.77Å; P409-Y411 HydrophobicContact CB-CE2 3.91Å; P409-Y411 HydrophobicContact CG-CE2 4.31Å; Y411-T437 HydrophobicContact CE1-CG2 4.3Å; Y411-I438 HydrophobicContact CD1-CD1 4.19Å; Y411-I438 HydrophobicContact CD1-CG1 3.46Å; Y411-I438 VanDerWaalsContact CD1-CG1 3.46Å; Y411-I438 HydrophobicContact CD2-CD1 4.06Å; Y411-I438 HydrophobicContact CD2-CG1 3.68Å; Y411-I438 HydrophobicContact CE1-CG1 3.63Å; Y411-I438 HydrophobicContact CE2-CG1 3.87Å; Y411-I438 HydrophobicContact CG-CD1 3.81Å; Y411-I438 HydrophobicContact CG-CG1 3.49Å; Y411-I438 VanDerWaalsContact CG-CG1 3.49Å; Y411-D441 WeakPolarHBondContact CE1-OD2 3.21Å; Y411-D441 WeakPolarHBondContact OH-CB 3.41Å; Y411-D441 VanDerWaalsContact OH-CG 3.31Å; Y411-D441 PolarHBondContact OH-OD2 3.29Å |
| 412 | C | 98.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.7 | 179.7 | 64.1 | 0 | 0 | 0 | 0 | 109 | I386 C388 G393 V395 K417 T434 | I386-C412 HydrophobicContact CB-CB 4.42Å; I386-C412 HydrophobicContact CG2-CB 4.39Å; C388-C412 WeakPolarHBondContact CB-SG 3.34Å; C388-C412 WeakPolarHBondContact SG-CB 3.46Å; C388-C412 CovalentContact SG-SG 2.07Å; C388-C412 PolarHBondContact SG-SG 3.25Å; G393-C412 WeakPolarHBondContact CA-SG 3.43Å; G393-C412 PolarHBondContact O-N 2.65Å; G393-C412 PolarHBondContact O-SG 2.94Å; V395-C412 HydrophobicContact CG2-CB 3.96Å; C412-K417 HydrophobicContact CB-CB 3.95Å; C412-K417 HydrophobicContact CB-CG 4.47Å; C412-K417 WeakPolarHBondContact O-CD 3.31Å; C412-K417 WeakPolarHBondContact SG-CG 3.36Å; C412-T434 WeakPolarHBondContact O-CG2 3.26Å; C412-T434 PolarHBondContact O-OG1 3.45Å; C412-T434 VanDerWaalsContact O-OG1 3.1Å |
| 413 | T | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -148.8 | 154.7 | 174.9 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | I115 W116 A117 I416 D430 A431 | I115-T413 HydrophobicContact CG2-CG2 3.92Å; W116-T413 PolarHBondContact O-N 3.25Å; A117-T413 HydrophobicContact CB-CG2 3.67Å; T413-I416 WeakPolarHBondContact O-CG2 3.3Å; T413-D430 PolarHBondContact OG1-OD2 3.01Å; T413-A431 WeakPolarHBondContact OG1-CA 3.32Å | ||
| 414 | G | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -149.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I416 K417 R418 D430 | G414-I416 VanDerWaalsContact C-N 3.26Å; G414-I416 PolarHBondContact O-N 3.08Å; G414-K417 WeakPolarHBondContact O-CB 3.38Å; G414-K417 PolarHBondContact O-N 3.31Å; G414-K417 VanDerWaalsContact O-N 3.07Å; G414-R418 PolarHBondContact O-N 2.79Å; G414-R418 VanDerWaalsContact O-N 3.13Å; G414-R418 PolarHBondContact O-NH1 2.88Å; G414-D430 PolarHBondContact N-OD2 3.42Å |
| 415 | W | 96.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 34 Ų | 34 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -24.2 | -173.5 | -67.5 | -14.5 | 0 | 0 | 0 | 114.1 | L62 T120 K417 G419 P420 I421 | L62-W415 HydrophobicContact CD1-CE3 4.18Å; L62-W415 HydrophobicContact CD1-CH2 3.37Å; L62-W415 HydrophobicContact CD1-CZ2 4.05Å; L62-W415 HydrophobicContact CD1-CZ3 3.45Å; L62-W415 VanDerWaalsContact CD1-CZ3 3.45Å; T120-W415 HydrophobicContact CG2-CB 3.82Å; T120-W415 VanDerWaalsContact OG1-CE3 3.32Å; W415-K417 PolarHBondContact O-N 3.06Å; W415-G419 WeakPolarHBondContact CA-O 3.06Å; W415-G419 VanDerWaalsContact CD1-O 3.26Å; W415-G419 CarbonylContact O-C 3.12Å; W415-G419 WeakPolarHBondContact O-CA 3.26Å; W415-G419 PolarHBondContact O-N 2.58Å; W415-P420 HydrophobicContact CD2-CB 3.99Å; W415-P420 HydrophobicContact CE3-CB 3.94Å; W415-P420 HydrophobicContact CG-CB 4.36Å; W415-P420 HydrophobicContact CZ3-CB 4.25Å; W415-I421 PolarHBondContact NE1-O 2.97Å |
| 416 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.3 | -19.8 | 174.7 | -163.8 | 58.4 | 0 | 0 | 0 | 112.9 | W116 Y118 G119 F379 V385 I386 T413 G414 | W116-I416 HydrophobicContact CB-CG2 4.43Å; W116-I416 WeakPolarHBondContact O-CG2 3.34Å; Y118-I416 HydrophobicContact CD1-CG1 4.32Å; Y118-I416 HydrophobicContact CD2-CD1 4.16Å; Y118-I416 HydrophobicContact CD2-CG1 4.22Å; Y118-I416 HydrophobicContact CE1-CD1 4.35Å; Y118-I416 HydrophobicContact CE1-CG1 3.78Å; Y118-I416 HydrophobicContact CE2-CD1 3.37Å; Y118-I416 HydrophobicContact CE2-CG1 3.66Å; Y118-I416 VanDerWaalsContact CZ-CD1 3.5Å; Y118-I416 VanDerWaalsContact CZ-CG1 3.43Å; G119-I416 WeakPolarHBondContact O-CD1 3.42Å; F379-I416 HydrophobicContact CE2-CD1 3.81Å; F379-I416 HydrophobicContact CZ-CD1 4.27Å; V385-I416 WeakPolarHBondContact CA-O 3.39Å; V385-I416 VanDerWaalsContact CB-O 3.31Å; V385-I416 WeakPolarHBondContact CB-O 3.34Å; I386-I416 HydrophobicContact CD1-CG1 3.62Å; I386-I416 HydrophobicContact CD1-CG2 4.37Å; I386-I416 HydrophobicContact CG1-CD1 4.39Å; I386-I416 HydrophobicContact CG1-CG1 3.79Å; I386-I416 PolarHBondContact N-O 2.67Å; T413-I416 WeakPolarHBondContact O-CG2 3.3Å; G414-I416 VanDerWaalsContact C-N 3.26Å; G414-I416 PolarHBondContact O-N 3.08Å |
| 417 | K | 97.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 10% | 0.1 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -86 | -44.4 | 172.5 | 171 | 180 | 168.8 | -165.7 | 0 | 112.2 | N391 N392 C412 G414 W415 D430 T434 | N391-K417 WeakPolarHBondContact O-CE 3.33Å; N391-K417 PolarHBondContact O-NZ 3.17Å; N392-K417 PolarHBondContact O-NZ 2.94Å; C412-K417 HydrophobicContact CB-CB 3.95Å; C412-K417 HydrophobicContact CB-CG 4.47Å; C412-K417 WeakPolarHBondContact O-CD 3.31Å; C412-K417 WeakPolarHBondContact SG-CG 3.36Å; G414-K417 WeakPolarHBondContact O-CB 3.38Å; G414-K417 PolarHBondContact O-N 3.31Å; G414-K417 VanDerWaalsContact O-N 3.07Å; W415-K417 PolarHBondContact O-N 3.06Å; K417-D430 WeakPolarHBondContact CD-OD1 3.47Å; K417-D430 VanDerWaalsContact CE-OD1 3.29Å; K417-D430 WeakPolarHBondContact CE-OD1 3.47Å; K417-D430 IonicContact NZ-OD1 3.34Å; K417-D430 PolarHBondContact NZ-OD1 3.19Å; K417-T434 PolarHBondContact NZ-OG1 3.41Å |
| 418 | R | 94.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 33.1 Ų | 33.1 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -113.3 | -6.2 | -165.9 | -55.2 | -168 | -50.3 | -72.3 | 15.6 | 115.1 | G414 D426 D430 | G414-R418 PolarHBondContact O-N 2.79Å; G414-R418 VanDerWaalsContact O-N 3.13Å; G414-R418 PolarHBondContact O-NH1 2.88Å; R418-D426 PolarHBondContact NH2-O 2.78Å; R418-D430 WeakPolarHBondContact CD-OD1 3.43Å; R418-D430 IonicContact CZ-OD1 3.91Å; R418-D430 IonicContact CZ-OD2 3.76Å; R418-D430 IonicContact NE-OD1 3.46Å; R418-D430 IonicContact NH1-OD1 2.78Å; R418-D430 PolarHBondContact NH1-OD1 3.05Å; R418-D430 VanDerWaalsContact NH1-OD1 3.08Å; R418-D430 IonicContact NH1-OD2 3.83Å; R418-D430 PolarHBondContact NH1-OD2 3.32Å |
| 419 | G | 93.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | trans | 80.9 | 172 | -163.6 | 0 | 0 | 0 | 0 | 0 | 113 | W415 I421 | W415-G419 WeakPolarHBondContact CA-O 3.06Å; W415-G419 VanDerWaalsContact CD1-O 3.26Å; W415-G419 CarbonylContact O-C 3.12Å; W415-G419 WeakPolarHBondContact O-CA 3.26Å; W415-G419 PolarHBondContact O-N 2.58Å; G419-I421 PolarHBondContact O-N 2.99Å | ||
| 420 | P | 91.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -81.9 | 58.7 | -172.5 | 36.5 | -39 | 0 | 0 | 0 | 112.9 | T120 Y368 W415 | T120-P420 HydrophobicContact CG2-CB 4.48Å; Y368-P420 HydrophobicContact CD2-CB 4.27Å; Y368-P420 WeakPolarHBondContact O-CG 3.26Å; W415-P420 HydrophobicContact CD2-CB 3.99Å; W415-P420 HydrophobicContact CE3-CB 3.94Å; W415-P420 HydrophobicContact CG-CB 4.36Å; W415-P420 HydrophobicContact CZ3-CB 4.25Å |
| 421 | I | 88.3 | Confident | 95.1 | Very high | 127 Ų | 127 | 35.3 Ų | 35.3 | 65% | 0.651 | 20% | 0.198 | S | C | * | . | trans | -115.5 | 143.3 | -177.8 | -57.8 | 173 | 0 | 0 | 0 | 109.5 | W415 G419 | W415-I421 PolarHBondContact NE1-O 2.97Å; G419-I421 PolarHBondContact O-N 2.99Å | ||
| 422 | G | 88.3 | Confident | 95.1 | Very high | 37 Ų | 37 | 40 Ų | 40 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 86.5 | -177.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D426 | G422-D426 WeakPolarHBondContact CA-OD2 3.23Š|
| 423 | V | 90.1 | Very high | 95.1 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | trans | -109 | 177.9 | 179.8 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | V425 D426 T427 | V423-V425 HydrophobicContact CG2-CB 4.17Å; V423-V425 PolarHBondContact O-N 2.78Å; V423-D426 WeakPolarHBondContact CG2-OD2 3.08Å; V423-D426 PolarHBondContact N-OD2 3.03Å; V423-D426 WeakPolarHBondContact O-CB 3.42Å; V423-D426 PolarHBondContact O-N 2.8Å; V423-T427 PolarHBondContact O-N 2.78Å; V423-T427 VanDerWaalsContact O-N 3.12Å; V423-T427 PolarHBondContact O-OG1 2.89Å | ||
| 424 | I | 91.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.1 | -33.2 | -179.1 | -66.1 | 172.7 | 0 | 0 | 0 | 112.5 | P32 Y36 L62 V63 V67 V74 T427 A428 | P32-I424 HydrophobicContact CB-CG2 4.28Å; P32-I424 HydrophobicContact CG-CG1 4.41Å; P32-I424 HydrophobicContact CG-CG2 4.43Å; Y36-I424 HydrophobicContact CE2-CG2 4.07Å; L62-I424 HydrophobicContact CD2-CD1 4.16Å; L62-I424 HydrophobicContact CD2-CG1 4.18Å; V63-I424 HydrophobicContact CG2-CD1 4.2Å; V67-I424 HydrophobicContact CG2-CD1 4.09Å; V74-I424 HydrophobicContact CG1-CD1 3.63Å; I424-T427 WeakPolarHBondContact O-CB 3.29Å; I424-T427 PolarHBondContact O-N 2.83Å; I424-A428 PolarHBondContact O-N 3.44Å |
| 425 | V | 93.4 | Very high | 95.1 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 62% | 0.618 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.1 | -44 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | V423 T427 A428 V429 | V423-V425 HydrophobicContact CG2-CB 4.17Å; V423-V425 PolarHBondContact O-N 2.78Å; V425-T427 VanDerWaalsContact C-N 3.27Å; V425-T427 PolarHBondContact O-N 2.83Å; V425-A428 WeakPolarHBondContact O-CB 3.35Å; V425-A428 PolarHBondContact O-N 3.15Å; V425-A428 VanDerWaalsContact O-N 3.14Å; V425-V429 PolarHBondContact O-N 3.02Å; V425-V429 VanDerWaalsContact O-N 3.09Å |
| 426 | D | 94.7 | Very high | 95.2 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64 | -37.2 | 175.6 | -56.1 | -57.6 | 0 | 0 | 0 | 110.8 | R418 G422 V423 A428 V429 D430 | R418-D426 PolarHBondContact NH2-O 2.78Å; G422-D426 WeakPolarHBondContact CA-OD2 3.23Å; V423-D426 WeakPolarHBondContact CG2-OD2 3.08Å; V423-D426 PolarHBondContact N-OD2 3.03Å; V423-D426 WeakPolarHBondContact O-CB 3.42Å; V423-D426 PolarHBondContact O-N 2.8Å; D426-A428 VanDerWaalsContact C-N 3.34Å; D426-V429 PolarHBondContact O-N 3.27Å; D426-D430 PolarHBondContact O-N 3.21Å; D426-D430 VanDerWaalsContact O-N 3.14Å |
| 427 | T | 95.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 173.1 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | P32 V423 I424 V425 A431 | P32-T427 HydrophobicContact CB-CG2 4.04Å; V423-T427 PolarHBondContact O-N 2.78Å; V423-T427 VanDerWaalsContact O-N 3.12Å; V423-T427 PolarHBondContact O-OG1 2.89Å; I424-T427 WeakPolarHBondContact O-CB 3.29Å; I424-T427 PolarHBondContact O-N 2.83Å; V425-T427 VanDerWaalsContact C-N 3.27Å; V425-T427 PolarHBondContact O-N 2.83Å; T427-A431 VanDerWaalsContact O-CB 3.27Å; T427-A431 WeakPolarHBondContact O-CB 3.3Å; T427-A431 PolarHBondContact O-N 3.43Å |
| 428 | A | 96.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y36 I424 V425 D426 R432 | Y36-A428 HydrophobicContact CD1-CB 4.18Å; Y36-A428 HydrophobicContact CD2-CB 3.6Å; Y36-A428 HydrophobicContact CE1-CB 4.06Å; Y36-A428 HydrophobicContact CE2-CB 3.48Å; Y36-A428 VanDerWaalsContact CE2-CB 3.48Å; Y36-A428 HydrophobicContact CG-CB 3.96Å; I424-A428 PolarHBondContact O-N 3.44Å; V425-A428 WeakPolarHBondContact O-CB 3.35Å; V425-A428 PolarHBondContact O-N 3.15Å; V425-A428 VanDerWaalsContact O-N 3.14Å; D426-A428 VanDerWaalsContact C-N 3.34Å; A428-R432 PolarHBondContact O-N 3.16Å |
| 429 | V | 97.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 51% | 0.509 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | V425 D426 R432 Q433 | V425-V429 PolarHBondContact O-N 3.02Å; V425-V429 VanDerWaalsContact O-N 3.09Å; D426-V429 PolarHBondContact O-N 3.27Å; V429-R432 PolarHBondContact O-N 2.92Å; V429-Q433 PolarHBondContact O-N 2.84Å; V429-Q433 VanDerWaalsContact O-N 3.11Å |
| 430 | D | 98.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 178.2 | 170 | 92.6 | 0 | 0 | 0 | 113.4 | T413 G414 K417 R418 D426 R432 Q433 T434 | T413-D430 PolarHBondContact OG1-OD2 3.01Å; G414-D430 PolarHBondContact N-OD2 3.42Å; K417-D430 WeakPolarHBondContact CD-OD1 3.47Å; K417-D430 VanDerWaalsContact CE-OD1 3.29Å; K417-D430 WeakPolarHBondContact CE-OD1 3.47Å; K417-D430 IonicContact NZ-OD1 3.34Å; K417-D430 PolarHBondContact NZ-OD1 3.19Å; R418-D430 WeakPolarHBondContact CD-OD1 3.43Å; R418-D430 IonicContact CZ-OD1 3.91Å; R418-D430 IonicContact CZ-OD2 3.76Å; R418-D430 IonicContact NE-OD1 3.46Å; R418-D430 IonicContact NH1-OD1 2.78Å; R418-D430 PolarHBondContact NH1-OD1 3.05Å; R418-D430 VanDerWaalsContact NH1-OD1 3.08Å; R418-D430 IonicContact NH1-OD2 3.83Å; R418-D430 PolarHBondContact NH1-OD2 3.32Å; D426-D430 PolarHBondContact O-N 3.21Å; D426-D430 VanDerWaalsContact O-N 3.14Å; D430-R432 PolarHBondContact O-N 3.47Å; D430-Q433 WeakPolarHBondContact O-CB 3.43Å; D430-Q433 PolarHBondContact O-N 3.09Å; D430-Q433 VanDerWaalsContact O-N 3.1Å; D430-T434 PolarHBondContact O-N 3.34Å; D430-T434 PolarHBondContact O-OG1 2.96Å |
| 431 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | S33 Y36 T37 T413 T427 A435 | S33-A431 WeakPolarHBondContact O-CB 3.48Å; Y36-A431 VanDerWaalsContact CB-CB 3.5Å; T37-A431 WeakPolarHBondContact OG1-CB 3.39Å; T37-A431 PolarHBondContact OG1-O 3.43Å; T413-A431 WeakPolarHBondContact OG1-CA 3.32Å; T427-A431 VanDerWaalsContact O-CB 3.27Å; T427-A431 WeakPolarHBondContact O-CB 3.3Å; T427-A431 PolarHBondContact O-N 3.43Å; A431-A435 VanDerWaalsContact O-CB 3.3Å; A431-A435 WeakPolarHBondContact O-CB 3.31Å; A431-A435 PolarHBondContact O-N 3.33Å |
| 432 | R | 98.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 41.8 Ų | 41.8 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 173.9 | -170.1 | -175.4 | -56 | 96 | 7.6 | 112.1 | T40 A428 V429 D430 T434 A435 E436 | T40-R432 HydrophobicContact CG2-CG 4.2Å; A428-R432 PolarHBondContact O-N 3.16Å; V429-R432 PolarHBondContact O-N 2.92Å; D430-R432 PolarHBondContact O-N 3.47Å; R432-T434 PolarHBondContact O-N 2.92Å; R432-A435 PolarHBondContact O-N 2.87Å; R432-E436 HydrophobicContact CG-CG 4.44Å; R432-E436 WeakPolarHBondContact CG-OE1 3.32Å; R432-E436 WeakPolarHBondContact O-CB 3.29Å; R432-E436 WeakPolarHBondContact O-CG 3.43Å; R432-E436 PolarHBondContact O-N 2.97Å |
| 433 | Q | 98.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.341 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 177.7 | -176.4 | -175 | 29.7 | 0 | 0 | 111.8 | N392 V429 D430 E436 T437 | N392-Q433 PolarHBondContact OD1-NE2 3.36Å; V429-Q433 PolarHBondContact O-N 2.84Å; V429-Q433 VanDerWaalsContact O-N 3.11Å; D430-Q433 WeakPolarHBondContact O-CB 3.43Å; D430-Q433 PolarHBondContact O-N 3.09Å; D430-Q433 VanDerWaalsContact O-N 3.1Å; Q433-E436 PolarHBondContact O-N 3.23Å; Q433-T437 WeakPolarHBondContact O-CB 3.29Å; Q433-T437 PolarHBondContact O-N 2.91Å; Q433-T437 PolarHBondContact O-OG1 3.49Å |
| 434 | T | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | N392 C412 K417 D430 R432 T437 I438 | N392-T434 PolarHBondContact O-OG1 2.9Å; C412-T434 WeakPolarHBondContact O-CG2 3.26Å; C412-T434 PolarHBondContact O-OG1 3.45Å; C412-T434 VanDerWaalsContact O-OG1 3.1Å; K417-T434 PolarHBondContact NZ-OG1 3.41Å; D430-T434 PolarHBondContact O-N 3.34Å; D430-T434 PolarHBondContact O-OG1 2.96Å; R432-T434 PolarHBondContact O-N 2.92Å; T434-T437 WeakPolarHBondContact O-CB 3.5Å; T434-T437 PolarHBondContact O-N 3.08Å; T434-I438 HydrophobicContact CG2-CD1 3.99Å; T434-I438 WeakPolarHBondContact O-CG1 3.49Å; T434-I438 PolarHBondContact O-N 3.44Å |
| 435 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T37 T40 L41 A431 R432 T437 I438 L439 | T37-A435 HydrophobicContact CG2-CB 4.17Å; T40-A435 HydrophobicContact CG2-CB 3.52Å; L41-A435 HydrophobicContact CD2-CB 4.18Å; L41-A435 HydrophobicContact CG-CB 4.15Å; A431-A435 VanDerWaalsContact O-CB 3.3Å; A431-A435 WeakPolarHBondContact O-CB 3.31Å; A431-A435 PolarHBondContact O-N 3.33Å; R432-A435 PolarHBondContact O-N 2.87Å; A435-T437 VanDerWaalsContact C-N 3.26Å; A435-T437 PolarHBondContact O-N 2.89Å; A435-I438 PolarHBondContact O-N 3.28Å; A435-L439 VanDerWaalsContact O-CG 3.25Å; A435-L439 WeakPolarHBondContact O-CG 3.33Å; A435-L439 PolarHBondContact O-N 3.26Å |
| 436 | E | 98.5 | Very high | 96.3 | Very high | 91 Ų | 91 | 38.9 Ų | 38.9 | 43% | 0.425 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 175.2 | -74.8 | 168.7 | -175.3 | 0 | 0 | 111.6 | R432 Q433 L439 M440 | R432-E436 HydrophobicContact CG-CG 4.44Å; R432-E436 WeakPolarHBondContact CG-OE1 3.32Å; R432-E436 WeakPolarHBondContact O-CB 3.29Å; R432-E436 WeakPolarHBondContact O-CG 3.43Å; R432-E436 PolarHBondContact O-N 2.97Å; Q433-E436 PolarHBondContact O-N 3.23Å; E436-L439 PolarHBondContact O-N 3.02Å; E436-M440 WeakPolarHBondContact O-CG 3.34Å; E436-M440 PolarHBondContact O-N 3.38Å |
| 437 | T | 98.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | N392 R394 Y411 Q433 T434 A435 L439 M440 D441 | N392-T437 HydrophobicContact CB-CG2 3.86Å; N392-T437 WeakPolarHBondContact CB-OG1 3.32Å; R394-T437 HydrophobicContact CG-CG2 4.12Å; R394-T437 VanDerWaalsContact NH2-CG2 3.29Å; Y411-T437 HydrophobicContact CE1-CG2 4.3Å; Q433-T437 WeakPolarHBondContact O-CB 3.29Å; Q433-T437 PolarHBondContact O-N 2.91Å; Q433-T437 PolarHBondContact O-OG1 3.49Å; T434-T437 WeakPolarHBondContact O-CB 3.5Å; T434-T437 PolarHBondContact O-N 3.08Å; A435-T437 VanDerWaalsContact C-N 3.26Å; A435-T437 PolarHBondContact O-N 2.89Å; T437-L439 VanDerWaalsContact C-N 3.34Å; T437-L439 PolarHBondContact O-N 3.31Å; T437-M440 PolarHBondContact O-N 3.15Å; T437-D441 PolarHBondContact O-N 3.15Å; T437-D441 VanDerWaalsContact O-N 3.09Å |
| 438 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 175.9 | -67.7 | 164 | 0 | 0 | 0 | 110.7 | L41 V113 I115 Y411 T434 A435 M440 D441 L442 | L41-I438 HydrophobicContact CD2-CB 4.11Å; L41-I438 HydrophobicContact CD2-CG2 3.84Å; V113-I438 HydrophobicContact CG1-CG2 4.25Å; I115-I438 HydrophobicContact CD1-CD1 3.39Å; I115-I438 HydrophobicContact CG1-CD1 3.82Å; Y411-I438 HydrophobicContact CD1-CD1 4.19Å; Y411-I438 HydrophobicContact CD1-CG1 3.46Å; Y411-I438 VanDerWaalsContact CD1-CG1 3.46Å; Y411-I438 HydrophobicContact CD2-CD1 4.06Å; Y411-I438 HydrophobicContact CD2-CG1 3.68Å; Y411-I438 HydrophobicContact CE1-CG1 3.63Å; Y411-I438 HydrophobicContact CE2-CG1 3.87Å; Y411-I438 HydrophobicContact CG-CD1 3.81Å; Y411-I438 HydrophobicContact CG-CG1 3.49Å; Y411-I438 VanDerWaalsContact CG-CG1 3.49Å; T434-I438 HydrophobicContact CG2-CD1 3.99Å; T434-I438 WeakPolarHBondContact O-CG1 3.49Å; T434-I438 PolarHBondContact O-N 3.44Å; A435-I438 PolarHBondContact O-N 3.28Å; I438-M440 VanDerWaalsContact C-N 3.32Å; I438-M440 PolarHBondContact O-N 3.47Å; I438-D441 PolarHBondContact O-N 3Å; I438-L442 HydrophobicContact CG2-CD1 3.85Å; I438-L442 HydrophobicContact CG2-CG 4.11Å; I438-L442 WeakPolarHBondContact O-CB 3.48Å; I438-L442 VanDerWaalsContact O-CG 3.31Å; I438-L442 WeakPolarHBondContact O-CG 3.3Å; I438-L442 PolarHBondContact O-N 2.9Å |
| 439 | L | 97.9 | Very high | 94.9 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 179.2 | -68.2 | 164.7 | 0 | 0 | 0 | 112.1 | L41 N44 H45 A435 E436 T437 S443 | L41-L439 HydrophobicContact CD2-CD2 3.96Å; L41-L439 HydrophobicContact CD2-CG 3.89Å; N44-L439 HydrophobicContact CB-CD1 3.56Å; N44-L439 HydrophobicContact CB-CD2 4.33Å; H45-L439 HydrophobicContact CB-CD2 3.67Å; A435-L439 VanDerWaalsContact O-CG 3.25Å; A435-L439 WeakPolarHBondContact O-CG 3.33Å; A435-L439 PolarHBondContact O-N 3.26Å; E436-L439 PolarHBondContact O-N 3.02Å; T437-L439 VanDerWaalsContact C-N 3.34Å; T437-L439 PolarHBondContact O-N 3.31Å; L439-S443 WeakPolarHBondContact O-CB 3.44Å; L439-S443 PolarHBondContact O-N 3.11Å; L439-S443 VanDerWaalsContact O-N 3.09Å |
| 440 | M | 97.3 | Very high | 94.1 | Very high | 127 Ų | 127 | 51 Ų | 51 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.3 | -45.5 | 174.7 | -68.5 | 175.8 | -168.9 | 0 | 0 | 111.5 | E436 T437 I438 S443 E444 | E436-M440 WeakPolarHBondContact O-CG 3.34Å; E436-M440 PolarHBondContact O-N 3.38Å; T437-M440 PolarHBondContact O-N 3.15Å; I438-M440 VanDerWaalsContact C-N 3.32Å; I438-M440 PolarHBondContact O-N 3.47Å; M440-S443 PolarHBondContact O-N 3.06Å; M440-E444 PolarHBondContact O-N 3.16Å |
| 441 | D | 95.8 | Very high | 93 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68 | -42 | -179.4 | -68.9 | -11.8 | 0 | 0 | 0 | 111.9 | R394 Y411 T437 I438 S443 E444 F445 | R394-D441 IonicContact CZ-OD1 3.55Å; R394-D441 IonicContact CZ-OD2 2.66Å; R394-D441 IonicContact NE-OD1 3.56Å; R394-D441 PolarHBondContact NE-OD1 3.36Å; R394-D441 IonicContact NE-OD2 3.97Å; R394-D441 PolarHBondContact NE-OD2 2.89Å; R394-D441 IonicContact NH2-OD1 3.7Å; R394-D441 PolarHBondContact NH2-OD1 2.8Å; R394-D441 IonicContact NH2-OD2 3.11Å; R394-D441 PolarHBondContact NH2-OD2 2.69Å; Y411-D441 WeakPolarHBondContact CE1-OD2 3.21Å; Y411-D441 WeakPolarHBondContact OH-CB 3.41Å; Y411-D441 VanDerWaalsContact OH-CG 3.31Å; Y411-D441 PolarHBondContact OH-OD2 3.29Å; T437-D441 PolarHBondContact O-N 3.15Å; T437-D441 VanDerWaalsContact O-N 3.09Å; I438-D441 PolarHBondContact O-N 3Å; D441-S443 VanDerWaalsContact C-N 3.33Å; D441-S443 PolarHBondContact O-N 2.92Å; D441-E444 WeakPolarHBondContact O-CB 3.39Å; D441-E444 PolarHBondContact O-N 2.9Å; D441-E444 VanDerWaalsContact O-N 3.09Å; D441-F445 HydrophobicContact CB-CE2 3.98Å; D441-F445 HydrophobicContact CB-CZ 4.22Å; D441-F445 VanDerWaalsContact O-CD2 3.23Å; D441-F445 WeakPolarHBondContact O-CD2 3.35Å; D441-F445 VanDerWaalsContact O-CG 3.29Å; D441-F445 WeakPolarHBondContact O-CG 3.42Å; D441-F445 PolarHBondContact O-N 3.48Å |
| 442 | L | 94.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 174.1 | -75.9 | 177.7 | 0 | 0 | 0 | 111.4 | I23 I25 V48 V113 I438 E444 F445 E446 L454 | I23-L442 HydrophobicContact CD1-CD2 4.38Å; I23-L442 HydrophobicContact CG2-CD2 4.01Å; I25-L442 HydrophobicContact CD1-CD1 4.23Å; V48-L442 HydrophobicContact CG1-CD1 4.21Å; V113-L442 HydrophobicContact CG2-CD2 3.76Å; V113-L442 HydrophobicContact CG2-CG 4.46Å; I438-L442 HydrophobicContact CG2-CD1 3.85Å; I438-L442 HydrophobicContact CG2-CG 4.11Å; I438-L442 WeakPolarHBondContact O-CB 3.48Å; I438-L442 VanDerWaalsContact O-CG 3.31Å; I438-L442 WeakPolarHBondContact O-CG 3.3Å; I438-L442 PolarHBondContact O-N 2.9Å; L442-E444 PolarHBondContact O-N 2.83Å; L442-F445 HydrophobicContact CD2-CD2 4.34Å; L442-F445 PolarHBondContact O-N 2.82Å; L442-F445 VanDerWaalsContact O-N 3.15Å; L442-E446 WeakPolarHBondContact O-CG 3.4Å; L442-E446 PolarHBondContact O-N 2.79Å; L442-L454 HydrophobicContact CD2-CD2 4.37Å |
| 443 | S | 92.9 | Very high | 91 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -35.3 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | L439 M440 D441 K447 | L439-S443 WeakPolarHBondContact O-CB 3.44Å; L439-S443 PolarHBondContact O-N 3.11Å; L439-S443 VanDerWaalsContact O-N 3.09Å; M440-S443 PolarHBondContact O-N 3.06Å; D441-S443 VanDerWaalsContact C-N 3.33Å; D441-S443 PolarHBondContact O-N 2.92Å; S443-K447 VanDerWaalsContact O-CG 3.26Å; S443-K447 WeakPolarHBondContact O-CG 3.49Å; S443-K447 PolarHBondContact O-N 2.78Å; S443-K447 VanDerWaalsContact O-N 3.16Å |
| 444 | E | 92.6 | Very high | 90.4 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.8 | -40.2 | 176.3 | -171.3 | 61 | -166 | 0 | 0 | 112.3 | M440 D441 L442 E446 K447 R448 | M440-E444 PolarHBondContact O-N 3.16Å; D441-E444 WeakPolarHBondContact O-CB 3.39Å; D441-E444 PolarHBondContact O-N 2.9Å; D441-E444 VanDerWaalsContact O-N 3.09Å; L442-E444 PolarHBondContact O-N 2.83Å; E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 3.19Å; E444-K447 PolarHBondContact O-N 2.86Å; E444-K447 IonicContact OE2-NZ 3.79Å; E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 2.92Å; E444-R448 IonicContact OE1-CZ 2.97Å; E444-R448 IonicContact OE1-NE 3.93Å; E444-R448 PolarHBondContact OE1-NE 2.88Å; E444-R448 IonicContact OE1-NH2 3.84Å; E444-R448 PolarHBondContact OE1-NH2 2.94Å |
| 445 | F | 90.9 | Very high | 89.9 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.6 | -60.4 | -35.9 | 0 | 0 | 0 | 112.3 | P409 D441 L442 R448 S449 H450 L454 | P409-F445 HydrophobicContact CB-CE2 4.45Å; P409-F445 HydrophobicContact CB-CZ 4.38Å; P409-F445 HydrophobicContact CG-CE2 3.73Å; P409-F445 HydrophobicContact CG-CZ 4.03Å; D441-F445 HydrophobicContact CB-CE2 3.98Å; D441-F445 HydrophobicContact CB-CZ 4.22Å; D441-F445 VanDerWaalsContact O-CD2 3.23Å; D441-F445 WeakPolarHBondContact O-CD2 3.35Å; D441-F445 VanDerWaalsContact O-CG 3.29Å; D441-F445 WeakPolarHBondContact O-CG 3.42Å; D441-F445 PolarHBondContact O-N 3.48Å; L442-F445 HydrophobicContact CD2-CD2 4.34Å; L442-F445 PolarHBondContact O-N 2.82Å; L442-F445 VanDerWaalsContact O-N 3.15Å; F445-R448 PolarHBondContact O-N 2.87Å; F445-S449 PolarHBondContact O-N 3.47Å; F445-H450 HydrophobicContact CB-CB 4.25Å; F445-H450 PolarHBondContact O-N 3.4Å; F445-L454 HydrophobicContact CB-CD1 4.35Å; F445-L454 HydrophobicContact CB-CD2 4.16Å; F445-L454 HydrophobicContact CB-CG 4.42Å |
| 446 | E | 89.3 | Confident | 89.6 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 175.1 | -72.7 | 179.1 | 141.9 | 0 | 0 | 111.4 | F19 H45 L442 E444 R448 S449 L454 | F19-E446 HydrophobicContact CD2-CG 4.4Å; F19-E446 HydrophobicContact CE2-CB 3.96Å; F19-E446 HydrophobicContact CE2-CG 3.93Å; H45-E446 IonicContact CE1-OE1 3.08Å; H45-E446 IonicContact NE2-OE1 3.64Å; H45-E446 IonicContact NE2-OE2 3.73Å; L442-E446 WeakPolarHBondContact O-CG 3.4Å; L442-E446 PolarHBondContact O-N 2.79Å; E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 3.19Å; E446-R448 VanDerWaalsContact C-N 3.32Å; E446-R448 PolarHBondContact O-N 2.81Å; E446-S449 PolarHBondContact O-N 3.22Å; E446-S449 VanDerWaalsContact O-N 3.16Å; E446-L454 HydrophobicContact CG-CD1 4.05Å |
| 447 | K | 89.7 | Confident | 89.4 | Confident | 137 Ų | 137 | 59.4 Ų | 59.4 | 60% | 0.596 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 177.2 | -73.3 | 169.6 | -163.4 | 164.3 | 0 | 112.3 | S443 E444 S449 | S443-K447 VanDerWaalsContact O-CG 3.26Å; S443-K447 WeakPolarHBondContact O-CG 3.49Å; S443-K447 PolarHBondContact O-N 2.78Å; S443-K447 VanDerWaalsContact O-N 3.16Å; E444-K447 PolarHBondContact O-N 2.86Å; E444-K447 IonicContact OE2-NZ 3.79Å; K447-S449 VanDerWaalsContact C-N 3.25Å; K447-S449 PolarHBondContact O-N 2.91Å |
| 448 | R | 88 | Confident | 89.2 | Confident | 159 Ų | 159 | 59 Ų | 59 | 60% | 0.6 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.6 | 179.9 | -66.7 | -176.4 | -171.4 | -170.8 | 4.5 | 113.8 | E444 F445 E446 H450 | E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 2.92Å; E444-R448 IonicContact OE1-CZ 2.97Å; E444-R448 IonicContact OE1-NE 3.93Å; E444-R448 PolarHBondContact OE1-NE 2.88Å; E444-R448 IonicContact OE1-NH2 3.84Å; E444-R448 PolarHBondContact OE1-NH2 2.94Å; F445-R448 PolarHBondContact O-N 2.87Å; E446-R448 VanDerWaalsContact C-N 3.32Å; E446-R448 PolarHBondContact O-N 2.81Å; R448-H450 VanDerWaalsContact C-N 3.34Å; R448-H450 VanDerWaalsContact CB-CD2 3.47Å; R448-H450 WeakPolarHBondContact CB-CD2 3.4Å; R448-H450 PolarHBondContact O-N 2.79Å |
| 449 | S | 81.1 | Confident | 89.1 | Confident | 58 Ų | 58 | 61 Ų | 61 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 49 | -176.1 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | F445 E446 K447 V451 | F445-S449 PolarHBondContact O-N 3.47Å; E446-S449 PolarHBondContact O-N 3.22Å; E446-S449 VanDerWaalsContact O-N 3.16Å; K447-S449 VanDerWaalsContact C-N 3.25Å; K447-S449 PolarHBondContact O-N 2.91Å; S449-V451 WeakPolarHBondContact O-CG2 3.39Å; S449-V451 PolarHBondContact O-N 2.88Å |
| 450 | H | 79.5 | Confident | 89 | Confident | 80 Ų | 80 | 63 Ų | 63 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | trans | -71.2 | 66.2 | 171.9 | -87.5 | -120.2 | 0 | 0 | 0 | 110.8 | F445 R448 D452 V453 L454 | F445-H450 HydrophobicContact CB-CB 4.25Å; F445-H450 PolarHBondContact O-N 3.4Å; R448-H450 VanDerWaalsContact C-N 3.34Å; R448-H450 VanDerWaalsContact CB-CD2 3.47Å; R448-H450 WeakPolarHBondContact CB-CD2 3.4Å; R448-H450 PolarHBondContact O-N 2.79Å; H450-D452 VanDerWaalsContact C-N 3.25Å; H450-D452 PolarHBondContact O-N 2.81Å; H450-V453 HydrophobicContact CB-CB 4.4Å; H450-V453 PolarHBondContact O-N 3.49Å; H450-L454 WeakPolarHBondContact O-CG 3.49Å; H450-L454 PolarHBondContact O-N 3.36Å | ||
| 451 | V | 74.9 | Confident | 88.9 | Confident | 65 Ų | 65 | 57.1 Ų | 57.1 | 39% | 0.394 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.1 | -40.4 | -172.4 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | S449 V453 L454 N455 | S449-V451 WeakPolarHBondContact O-CG2 3.39Å; S449-V451 PolarHBondContact O-N 2.88Å; V451-V453 PolarHBondContact O-N 2.75Å; V451-L454 PolarHBondContact O-N 2.84Å; V451-N455 HydrophobicContact CG1-CB 4.31Å; V451-N455 WeakPolarHBondContact CG1-ND2 3.42Å; V451-N455 WeakPolarHBondContact O-CB 3.45Å; V451-N455 PolarHBondContact O-N 3.43Å |
| 452 | D | 73.8 | Confident | 89 | Confident | 119 Ų | 119 | 55.8 Ų | 55.8 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.1 | -26.7 | -178.6 | -58.3 | -30.6 | 0 | 0 | 0 | 113.5 | S406 H450 K456 | S406-D452 WeakPolarHBondContact OG-CB 3.41Å; H450-D452 VanDerWaalsContact C-N 3.25Å; H450-D452 PolarHBondContact O-N 2.81Å; D452-K456 VanDerWaalsContact O-CE 3.22Å; D452-K456 WeakPolarHBondContact O-CE 3.35Å |
| 453 | V | 81.3 | Confident | 89.1 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -87.8 | -38.9 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | S112 H450 V451 K456 | S112-V453 VanDerWaalsContact CA-O 3.3Å; S112-V453 WeakPolarHBondContact CA-O 3.11Å; S112-V453 WeakPolarHBondContact CB-O 3.44Å; S112-V453 PolarHBondContact OG-O 3.09Å; H450-V453 HydrophobicContact CB-CB 4.4Å; H450-V453 PolarHBondContact O-N 3.49Å; V451-V453 PolarHBondContact O-N 2.75Å; V453-K456 WeakPolarHBondContact O-CG 3.46Å |
| 454 | L | 86.4 | Confident | 89.3 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -82.2 | -28 | -172.3 | -63.7 | 175.7 | 0 | 0 | 0 | 114.1 | F19 I23 S112 L442 F445 E446 H450 V451 K456 | F19-L454 HydrophobicContact CE1-CD1 3.84Å; F19-L454 HydrophobicContact CE2-CD1 4.22Å; F19-L454 HydrophobicContact CZ-CD1 3.67Å; I23-L454 HydrophobicContact CD1-CD2 4.03Å; I23-L454 HydrophobicContact CG1-CD2 4.26Å; S112-L454 PolarHBondContact OG-O 3.36Å; L442-L454 HydrophobicContact CD2-CD2 4.37Å; F445-L454 HydrophobicContact CB-CD1 4.35Å; F445-L454 HydrophobicContact CB-CD2 4.16Å; F445-L454 HydrophobicContact CB-CG 4.42Å; E446-L454 HydrophobicContact CG-CD1 4.05Å; H450-L454 WeakPolarHBondContact O-CG 3.49Å; H450-L454 PolarHBondContact O-N 3.36Å; V451-L454 PolarHBondContact O-N 2.84Å; L454-K456 VanDerWaalsContact C-N 3.29Å; L454-K456 PolarHBondContact O-N 2.68Å |
| 455 | N | 88.6 | Confident | 89.5 | Confident | 76 Ų | 76 | 61 Ų | 61 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 32.9 | -177 | -74.1 | 0.7 | 0 | 0 | 0 | 113.8 | S21 V451 | S21-N455 PolarHBondContact OG-OD1 2.56Å; V451-N455 HydrophobicContact CG1-CB 4.31Å; V451-N455 WeakPolarHBondContact CG1-ND2 3.42Å; V451-N455 WeakPolarHBondContact O-CB 3.45Å; V451-N455 PolarHBondContact O-N 3.43Å |
| 456 | K | 92.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 8% | 0.078 | 28% | 0.281 | C | S | . | . | trans | -72.9 | 148.3 | 177.7 | -63.7 | -88.4 | -176.1 | 172.8 | 0 | 110 | Q24 Q108 E109 A110 S406 D452 V453 L454 | Q24-K456 WeakPolarHBondContact CG-O 3.3Å; Q108-K456 PolarHBondContact O-NZ 2.84Å; E109-K456 VanDerWaalsContact O-CD 3.24Å; E109-K456 WeakPolarHBondContact O-CD 3.33Å; A110-K456 WeakPolarHBondContact O-CB 3.46Å; S406-K456 PolarHBondContact O-NZ 3.03Å; D452-K456 VanDerWaalsContact O-CE 3.22Å; D452-K456 WeakPolarHBondContact O-CE 3.35Å; V453-K456 WeakPolarHBondContact O-CG 3.46Å; L454-K456 VanDerWaalsContact C-N 3.29Å; L454-K456 PolarHBondContact O-N 2.68Å | ||
| 457 | R | 93.5 | Very high | 90.2 | Very high | 160 Ų | 160 | 61.5 Ų | 61.5 | 60% | 0.604 | 30% | 0.296 | S | S | * | . | trans | -92.5 | 0 | -169.3 | -68 | -174.8 | -67.4 | 155 | -2.9 | 115.3 | A110 S460 V461 | A110-R457 PolarHBondContact O-N 3.17Å; R457-S460 WeakPolarHBondContact CB-OG 3.1Å; R457-S460 PolarHBondContact O-OG 3.16Å; R457-V461 HydrophobicContact CB-CG2 3.76Å | ||
| 458 | G | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -136.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A110 S460 V461 | A110-G458 WeakPolarHBondContact O-CA 3.3Å; A110-G458 PolarHBondContact O-N 3.07Å; G458-S460 PolarHBondContact O-N 3.06Å; G458-V461 PolarHBondContact O-N 3.43Å; G458-V461 VanDerWaalsContact O-N 3.08Å |
| 459 | L | 96.1 | Very high | 91 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -50.6 | -33.5 | -174.5 | -176.8 | 53.6 | 0 | 0 | 0 | 114.9 | D51 L93 V461 V462 Q463 | D51-L459 WeakPolarHBondContact OD2-CB 3.3Å; D51-L459 PolarHBondContact OD2-N 2.74Å; L93-L459 HydrophobicContact CD2-CD1 3.35Å; L93-L459 HydrophobicContact CD2-CD2 4.16Å; L93-L459 HydrophobicContact CD2-CG 4.41Å; L459-V461 PolarHBondContact O-N 3.04Å; L459-V462 HydrophobicContact CD1-CB 4.41Å; L459-V462 PolarHBondContact O-N 3.22Å; L459-V462 VanDerWaalsContact O-N 3.14Å; L459-Q463 VanDerWaalsContact O-CB 3.31Å; L459-Q463 WeakPolarHBondContact O-CB 3.3Å; L459-Q463 PolarHBondContact O-N 3.05Å |
| 460 | S | 95.3 | Very high | 91.8 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.3 | -33.6 | -179.6 | 68 | 0 | 0 | 0 | 0 | 113.5 | R457 G458 | R457-S460 WeakPolarHBondContact CB-OG 3.1Å; R457-S460 PolarHBondContact O-OG 3.16Å; G458-S460 PolarHBondContact O-N 3.06Å |
| 461 | V | 95.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.1 | -45.7 | 177 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | E109 A110 R457 G458 L459 Q463 R464 Y465 | E109-V461 HydrophobicContact CG-CG1 4.1Å; A110-V461 HydrophobicContact CB-CB 3.76Å; A110-V461 HydrophobicContact CB-CG1 3.86Å; R457-V461 HydrophobicContact CB-CG2 3.76Å; G458-V461 PolarHBondContact O-N 3.43Å; G458-V461 VanDerWaalsContact O-N 3.08Å; L459-V461 PolarHBondContact O-N 3.04Å; V461-Q463 VanDerWaalsContact C-N 3.32Å; V461-Q463 PolarHBondContact O-N 3.18Å; V461-R464 WeakPolarHBondContact O-CB 3.48Å; V461-R464 PolarHBondContact O-N 3.1Å; V461-Y465 HydrophobicContact CG1-CE2 3.99Å; V461-Y465 WeakPolarHBondContact O-CD2 3.49Å |
| 462 | V | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 178.7 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | F53 I102 L107 A110 Y111 L459 R464 Y465 L466 | F53-V462 HydrophobicContact CE1-CG1 3.97Å; F53-V462 HydrophobicContact CZ-CG1 3.89Å; F53-V462 HydrophobicContact CZ-CG2 4.42Å; I102-V462 HydrophobicContact CD1-CG1 3.73Å; I102-V462 HydrophobicContact CG1-CG1 3.85Å; I102-V462 HydrophobicContact CG2-CG1 4.4Å; L107-V462 HydrophobicContact CD2-CG2 4.41Å; A110-V462 HydrophobicContact CB-CG2 3.6Å; Y111-V462 HydrophobicContact CD2-CG2 4.49Å; Y111-V462 HydrophobicContact CE2-CG2 3.52Å; L459-V462 HydrophobicContact CD1-CB 4.41Å; L459-V462 PolarHBondContact O-N 3.22Å; L459-V462 VanDerWaalsContact O-N 3.14Å; V462-R464 PolarHBondContact O-N 2.77Å; V462-Y465 PolarHBondContact O-N 3.21Å; V462-Y465 VanDerWaalsContact O-N 3.08Å; V462-L466 HydrophobicContact CG1-CD1 3.79Å; V462-L466 HydrophobicContact CG1-CG 4.02Å; V462-L466 WeakPolarHBondContact O-CG 3.43Å; V462-L466 PolarHBondContact O-N 3.36Å |
| 463 | Q | 96.8 | Very high | 94.7 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -34.4 | -179.6 | -170.2 | 66.3 | 64.9 | 0 | 0 | 112 | L459 V461 L466 N467 | L459-Q463 VanDerWaalsContact O-CB 3.31Å; L459-Q463 WeakPolarHBondContact O-CB 3.3Å; L459-Q463 PolarHBondContact O-N 3.05Å; V461-Q463 VanDerWaalsContact C-N 3.32Å; V461-Q463 PolarHBondContact O-N 3.18Å; Q463-L466 PolarHBondContact O-N 2.93Å; Q463-N467 PolarHBondContact NE2-OD1 3.07Å; Q463-N467 WeakPolarHBondContact O-CB 3.41Å; Q463-N467 PolarHBondContact O-N 2.81Å; Q463-N467 PolarHBondContact O-ND2 3.27Å; Q463-N467 PolarHBondContact O-OD1 3.3Å |
| 464 | R | 96.7 | Very high | 95.5 | Very high | 112 Ų | 112 | 56.1 Ų | 56.1 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.5 | -54.1 | 173 | 177.1 | -180 | 64.9 | 176.5 | -3.5 | 110.8 | E109 V461 V462 L466 N467 E468 | E109-R464 IonicContact OE1-NH2 2.64Å; E109-R464 PolarHBondContact OE1-NH2 2.92Å; V461-R464 WeakPolarHBondContact O-CB 3.48Å; V461-R464 PolarHBondContact O-N 3.1Å; V462-R464 PolarHBondContact O-N 2.77Å; R464-L466 PolarHBondContact O-N 3.28Å; R464-N467 PolarHBondContact O-N 3.3Å; R464-E468 WeakPolarHBondContact CG-OE1 3.37Å; R464-E468 WeakPolarHBondContact O-CG 3.4Å; R464-E468 PolarHBondContact O-N 2.79Å |
| 465 | Y | 97.7 | Very high | 96 | Very high | 27 Ų | 27 | 62 Ų | 62 | 11% | 0.106 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | -180 | -62.1 | -66.4 | 0 | 0 | 0 | 112.7 | I102 E106 E109 V461 V462 N467 E468 R469 | I102-Y465 VanDerWaalsContact CD1-CB 3.49Å; I102-Y465 HydrophobicContact CD1-CG 4.39Å; E106-Y465 HydrophobicContact CB-CD2 4.11Å; E106-Y465 HydrophobicContact CB-CE2 3.86Å; E106-Y465 HydrophobicContact CG-CD2 4.28Å; E106-Y465 HydrophobicContact CG-CE1 4.2Å; E106-Y465 HydrophobicContact CG-CE2 3.93Å; E109-Y465 PolarHBondContact OE2-OH 3.05Å; V461-Y465 HydrophobicContact CG1-CE2 3.99Å; V461-Y465 WeakPolarHBondContact O-CD2 3.49Å; V462-Y465 PolarHBondContact O-N 3.21Å; V462-Y465 VanDerWaalsContact O-N 3.08Å; Y465-N467 VanDerWaalsContact C-N 3.32Å; Y465-N467 PolarHBondContact O-N 2.85Å; Y465-E468 PolarHBondContact O-N 3.17Å; Y465-R469 VanDerWaalsContact O-CB 3.28Å; Y465-R469 WeakPolarHBondContact O-CB 3.31Å; Y465-R469 WeakPolarHBondContact O-CD 3.34Å; Y465-R469 VanDerWaalsContact O-CG 3.24Å; Y465-R469 WeakPolarHBondContact O-CG 3.46Å; Y465-R469 PolarHBondContact O-N 3.06Å |
| 466 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.6 | -66.9 | 171.9 | 0 | 0 | 0 | 111.6 | V96 I102 V462 Q463 R464 R469 N470 V471 V473 | V96-L466 HydrophobicContact CG1-CD2 3.86Å; V96-L466 HydrophobicContact CG2-CD2 4.25Å; I102-L466 HydrophobicContact CD1-CD2 3.78Å; I102-L466 HydrophobicContact CD1-CG 3.94Å; I102-L466 HydrophobicContact CG1-CD2 3.73Å; I102-L466 HydrophobicContact CG1-CG 4.29Å; V462-L466 HydrophobicContact CG1-CD1 3.79Å; V462-L466 HydrophobicContact CG1-CG 4.02Å; V462-L466 WeakPolarHBondContact O-CG 3.43Å; V462-L466 PolarHBondContact O-N 3.36Å; Q463-L466 PolarHBondContact O-N 2.93Å; R464-L466 PolarHBondContact O-N 3.28Å; L466-R469 CarbonylContact O-C 3.47Å; L466-R469 PolarHBondContact O-N 2.9Å; L466-N470 PolarHBondContact O-N 3.21Å; L466-N470 VanDerWaalsContact O-N 3.1Å; L466-V471 HydrophobicContact CB-CB 4.37Å; L466-V471 HydrophobicContact CD2-CB 3.86Å; L466-V471 HydrophobicContact CD2-CG1 3.92Å; L466-V471 HydrophobicContact CD2-CG2 4.1Å; L466-V471 PolarHBondContact O-N 2.9Å; L466-V473 HydrophobicContact CD1-CG2 3.76Å |
| 467 | N | 97.1 | Very high | 96.6 | Very high | 96 Ų | 96 | 65.4 Ų | 65.4 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.2 | -48.3 | 176.7 | -69.2 | -9.3 | 0 | 0 | 0 | 111.6 | Q463 R464 Y465 R469 N470 | Q463-N467 PolarHBondContact NE2-OD1 3.07Å; Q463-N467 WeakPolarHBondContact O-CB 3.41Å; Q463-N467 PolarHBondContact O-N 2.81Å; Q463-N467 PolarHBondContact O-ND2 3.27Å; Q463-N467 PolarHBondContact O-OD1 3.3Å; R464-N467 PolarHBondContact O-N 3.3Å; Y465-N467 VanDerWaalsContact C-N 3.32Å; Y465-N467 PolarHBondContact O-N 2.85Å; N467-R469 PolarHBondContact O-N 2.88Å; N467-N470 PolarHBondContact O-N 3.43Å |
| 468 | E | 97.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 59 Ų | 59 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.7 | -33.5 | 176.9 | -73.9 | 169.6 | -173.5 | 0 | 0 | 112.1 | R464 Y465 | R464-E468 WeakPolarHBondContact CG-OE1 3.37Å; R464-E468 WeakPolarHBondContact O-CG 3.4Å; R464-E468 PolarHBondContact O-N 2.79Å; Y465-E468 PolarHBondContact O-N 3.17Å |
| 469 | R | 97.5 | Very high | 96.9 | Very high | 95 Ų | 95 | 59.1 Ų | 59.1 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 4.2 | 179.8 | -64.8 | 169.7 | -177.4 | 157.6 | 7.4 | 113.9 | D101 E106 Y465 L466 N467 V471 | D101-R469 WeakPolarHBondContact O-CD 3.24Å; D101-R469 PolarHBondContact O-NH1 3.45Å; E106-R469 IonicContact OE1-CZ 3.73Å; E106-R469 IonicContact OE1-NH1 3.94Å; E106-R469 PolarHBondContact OE1-NH1 2.97Å; E106-R469 IonicContact OE1-NH2 3.5Å; E106-R469 PolarHBondContact OE1-NH2 2.84Å; E106-R469 IonicContact OE2-CZ 2.78Å; E106-R469 IonicContact OE2-NH1 2.76Å; E106-R469 PolarHBondContact OE2-NH1 3.35Å; E106-R469 IonicContact OE2-NH2 3.02Å; Y465-R469 VanDerWaalsContact O-CB 3.28Å; Y465-R469 WeakPolarHBondContact O-CB 3.31Å; Y465-R469 WeakPolarHBondContact O-CD 3.34Å; Y465-R469 VanDerWaalsContact O-CG 3.24Å; Y465-R469 WeakPolarHBondContact O-CG 3.46Å; Y465-R469 PolarHBondContact O-N 3.06Å; L466-R469 CarbonylContact O-C 3.47Å; L466-R469 PolarHBondContact O-N 2.9Å; N467-R469 PolarHBondContact O-N 2.88Å; R469-V471 VanDerWaalsContact C-N 3.28Å; R469-V471 HydrophobicContact CB-CG2 3.92Å; R469-V471 PolarHBondContact O-N 2.77Å |
| 470 | N | 96.2 | Very high | 97 | Very high | 133 Ų | 133 | 60.4 Ų | 60.4 | 71% | 0.711 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39 | -179.5 | -60.3 | -65.4 | 0 | 0 | 0 | 114.1 | L466 N467 | L466-N470 PolarHBondContact O-N 3.21Å; L466-N470 VanDerWaalsContact O-N 3.1Å; N467-N470 PolarHBondContact O-N 3.43Å |
| 471 | V | 96.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | trans | -82.3 | 121.2 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | V96 D101 L466 R469 V473 | V96-V471 HydrophobicContact CG2-CG1 4.23Å; D101-V471 HydrophobicContact CB-CG2 4.04Å; L466-V471 HydrophobicContact CB-CB 4.37Å; L466-V471 HydrophobicContact CD2-CB 3.86Å; L466-V471 HydrophobicContact CD2-CG1 3.92Å; L466-V471 HydrophobicContact CD2-CG2 4.1Å; L466-V471 PolarHBondContact O-N 2.9Å; R469-V471 VanDerWaalsContact C-N 3.28Å; R469-V471 HydrophobicContact CB-CG2 3.92Å; R469-V471 PolarHBondContact O-N 2.77Å; V471-V473 PolarHBondContact O-N 3.22Å | ||
| 472 | H | 94.5 | Very high | 97.2 | Very high | 124 Ų | 124 | 60 Ų | 60 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | trans | -82 | 94.1 | 176.5 | -64.9 | -24.6 | 0 | 0 | 0 | 111.7 | N95 F511 | N95-H472 PolarHBondContact ND2-O 3.29Å; H472-F511 HydrophobicContact CB-CE2 4.27Å; H472-F511 HydrophobicContact CB-CZ 4.41Å | ||
| 473 | V | 98.1 | Very high | 97.3 | Very high | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | trans | -73.8 | 128.3 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | L93 V96 L466 V471 F511 | L93-V473 HydrophobicContact CB-CG1 4.04Å; L93-V473 HydrophobicContact CD2-CG1 4.07Å; L93-V473 HydrophobicContact CG-CG1 4.41Å; V96-V473 HydrophobicContact CG2-CG1 4.38Å; V96-V473 HydrophobicContact CG2-CG2 4.08Å; L466-V473 HydrophobicContact CD1-CG2 3.76Å; V471-V473 PolarHBondContact O-N 3.22Å; V473-F511 WeakPolarHBondContact O-CZ 3.34Å | ||
| 474 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 103.6 | 173.2 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | P57 G94 N95 N478 W479 L507 A510 F511 | P57-V474 HydrophobicContact CB-CG1 4.47Å; P57-V474 HydrophobicContact CB-CG2 4.06Å; P57-V474 VanDerWaalsContact O-CG1 3.3Å; P57-V474 WeakPolarHBondContact O-CG1 3.36Å; G94-V474 PolarHBondContact N-O 2.87Å; G94-V474 PolarHBondContact O-N 3.49Å; N95-V474 HydrophobicContact CB-CB 4.47Å; N95-V474 HydrophobicContact CB-CG2 3.87Å; V474-N478 HydrophobicContact CG1-CB 3.76Å; V474-W479 HydrophobicContact CG1-CB 4.4Å; V474-L507 HydrophobicContact CG2-CD2 3.62Å; V474-A510 HydrophobicContact CG1-CB 4.33Å; V474-F511 HydrophobicContact CG2-CE2 4.15Å; V474-F511 HydrophobicContact CG2-CZ 4.16Å |
| 475 | K | 97.9 | Very high | 97.4 | Very high | 125 Ų | 125 | 60.1 Ų | 60.1 | 54% | 0.543 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 163.9 | 173.4 | -63.5 | -174.8 | 179.1 | -176.8 | 0 | 110.8 | K477 N478 W479 | K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 3.49Å; K475-N478 PolarHBondContact N-ND2 2.97Å; K475-N478 WeakPolarHBondContact O-CA 3.42Å; K475-N478 VanDerWaalsContact O-CB 3.31Å; K475-N478 WeakPolarHBondContact O-CB 3.46Å; K475-N478 PolarHBondContact O-N 3.45Å; K475-W479 PolarHBondContact O-N 2.78Å |
| 476 | F | 97.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.9 | -42.8 | -179.6 | -160.7 | -102.8 | 0 | 0 | 0 | 113.1 | P59 F60 T82 A85 F92 N478 W479 E480 | P59-F476 HydrophobicContact CG-CE2 4.09Å; F60-F476 HydrophobicContact CZ-CE2 4.23Å; F60-F476 HydrophobicContact CZ-CZ 4.35Å; T82-F476 HydrophobicContact CG2-CE1 4.33Å; T82-F476 HydrophobicContact CG2-CZ 4.13Å; A85-F476 HydrophobicContact CB-CD1 4.17Å; A85-F476 HydrophobicContact CB-CD2 3.56Å; A85-F476 HydrophobicContact CB-CE1 3.92Å; A85-F476 HydrophobicContact CB-CE2 3.26Å; A85-F476 HydrophobicContact CB-CG 4Å; A85-F476 HydrophobicContact CB-CZ 3.47Å; A85-F476 VanDerWaalsContact CB-CZ 3.47Å; F92-F476 HydrophobicContact CB-CB 4.03Å; F92-F476 HydrophobicContact CB-CD2 4.02Å; F92-F476 HydrophobicContact CD1-CD2 4.35Å; F92-F476 HydrophobicContact CG-CD2 4.27Å; F476-N478 VanDerWaalsContact C-N 3.25Å; F476-N478 PolarHBondContact O-N 3.31Å; F476-W479 AromaticContact CE2-CD1 3.79Å; F476-W479 CarbonylContact O-C 3.41Å; F476-W479 WeakPolarHBondContact O-CA 3.4Å; F476-W479 VanDerWaalsContact O-CB 3.29Å; F476-W479 WeakPolarHBondContact O-CB 3.29Å; F476-W479 PolarHBondContact O-N 3.17Å; F476-E480 HydrophobicContact CD1-CG 4.03Å; F476-E480 HydrophobicContact CE1-CG 3.93Å; F476-E480 WeakPolarHBondContact O-CG 3.09Å; F476-E480 PolarHBondContact O-N 3.3Å |
| 477 | K | 96.4 | Very high | 97.4 | Very high | 145 Ų | 145 | 62.9 Ų | 62.9 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.8 | -30.2 | 176 | -171.7 | 173.2 | -176.4 | 175 | 0 | 114.1 | K475 E480 | K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 3.49Å; K477-E480 WeakPolarHBondContact CA-OE2 3.4Å |
| 478 | N | 97.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.7 | -38.7 | 175.5 | -56.4 | -7.5 | 0 | 0 | 0 | 109.9 | V474 K475 F476 R481 A510 F511 | V474-N478 HydrophobicContact CG1-CB 3.76Å; K475-N478 PolarHBondContact N-ND2 2.97Å; K475-N478 WeakPolarHBondContact O-CA 3.42Å; K475-N478 VanDerWaalsContact O-CB 3.31Å; K475-N478 WeakPolarHBondContact O-CB 3.46Å; K475-N478 PolarHBondContact O-N 3.45Å; F476-N478 VanDerWaalsContact C-N 3.25Å; F476-N478 PolarHBondContact O-N 3.31Å; N478-R481 WeakPolarHBondContact O-CB 3.37Å; N478-R481 PolarHBondContact O-N 2.76Å; N478-A510 HydrophobicContact CB-CB 4.04Å; N478-F511 VanDerWaalsContact ND2-CE1 3.34Å; N478-F511 WeakPolarHBondContact ND2-CE1 3.29Å |
| 479 | W | 97.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 171.3 | 156.7 | -106.7 | 0 | 0 | 0 | 112.2 | S58 P59 F60 R64 V474 K475 F476 R481 I482 D483 M506 | S58-W479 VanDerWaalsContact CB-CE3 3.49Å; P59-W479 VanDerWaalsContact CD-CE2 3.44Å; P59-W479 HydrophobicContact CG-CD2 4.01Å; P59-W479 HydrophobicContact CG-CG 3.85Å; F60-W479 HydrophobicContact CE2-CZ2 4.25Å; F60-W479 AromaticContact CE2-NE1 3.79Å; R64-W479 VanDerWaalsContact CZ-CH2 3.4Å; V474-W479 HydrophobicContact CG1-CB 4.4Å; K475-W479 PolarHBondContact O-N 2.78Å; F476-W479 AromaticContact CE2-CD1 3.79Å; F476-W479 CarbonylContact O-C 3.41Å; F476-W479 WeakPolarHBondContact O-CA 3.4Å; F476-W479 VanDerWaalsContact O-CB 3.29Å; F476-W479 WeakPolarHBondContact O-CB 3.29Å; F476-W479 PolarHBondContact O-N 3.17Å; W479-R481 PolarHBondContact O-N 3.1Å; W479-I482 HydrophobicContact CE3-CB 3.86Å; W479-I482 HydrophobicContact CE3-CD1 4.14Å; W479-I482 HydrophobicContact CE3-CG2 4.03Å; W479-I482 HydrophobicContact CH2-CG2 4.49Å; W479-I482 HydrophobicContact CZ3-CB 3.92Å; W479-I482 HydrophobicContact CZ3-CG2 3.59Å; W479-I482 WeakPolarHBondContact O-CA 3.31Å; W479-I482 WeakPolarHBondContact O-CB 3.35Å; W479-I482 PolarHBondContact O-N 2.9Å; W479-D483 HydrophobicContact CH2-CB 4.13Å; W479-D483 HydrophobicContact CZ2-CB 3.75Å; W479-D483 PolarHBondContact O-N 3.29Å; W479-M506 HydrophobicContact CZ3-CE 4.42Å |
| 480 | E | 97.5 | Very high | 97.5 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.6 | -35.4 | 178.1 | -72.5 | 176.3 | 132.9 | 0 | 0 | 112.3 | F476 K477 D483 E484 | F476-E480 HydrophobicContact CD1-CG 4.03Å; F476-E480 HydrophobicContact CE1-CG 3.93Å; F476-E480 WeakPolarHBondContact O-CG 3.09Å; F476-E480 PolarHBondContact O-N 3.3Å; K477-E480 WeakPolarHBondContact CA-OE2 3.4Å; E480-D483 PolarHBondContact O-N 2.98Å; E480-E484 WeakPolarHBondContact O-CB 3.17Å; E480-E484 VanDerWaalsContact O-CG 3.3Å; E480-E484 WeakPolarHBondContact O-CG 3.44Å; E480-E484 PolarHBondContact O-N 2.74Å |
| 481 | R | 97.7 | Very high | 97.6 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 25% | 0.253 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 174 | -62.1 | 171.6 | -177.3 | 171 | -4.4 | 112.9 | N478 W479 A485 A510 | N478-R481 WeakPolarHBondContact O-CB 3.37Å; N478-R481 PolarHBondContact O-N 2.76Å; W479-R481 PolarHBondContact O-N 3.1Å; R481-A485 WeakPolarHBondContact O-CB 3.3Å; R481-A485 PolarHBondContact O-N 3.19Å; R481-A510 WeakPolarHBondContact CD-O 3.44Å; R481-A510 PolarHBondContact NH1-O 3.22Å |
| 482 | I | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 172.9 | -63.2 | 165.9 | 0 | 0 | 0 | 108.8 | P57 W479 E484 A485 E486 L500 M506 T509 A510 | P57-I482 HydrophobicContact CB-CD1 4.18Å; W479-I482 HydrophobicContact CE3-CB 3.86Å; W479-I482 HydrophobicContact CE3-CD1 4.14Å; W479-I482 HydrophobicContact CE3-CG2 4.03Å; W479-I482 HydrophobicContact CH2-CG2 4.49Å; W479-I482 HydrophobicContact CZ3-CB 3.92Å; W479-I482 HydrophobicContact CZ3-CG2 3.59Å; W479-I482 WeakPolarHBondContact O-CA 3.31Å; W479-I482 WeakPolarHBondContact O-CB 3.35Å; W479-I482 PolarHBondContact O-N 2.9Å; I482-E484 VanDerWaalsContact C-N 3.33Å; I482-E484 PolarHBondContact O-N 2.86Å; I482-A485 PolarHBondContact O-N 3.07Å; I482-E486 HydrophobicContact CG2-CG 4.28Å; I482-E486 VanDerWaalsContact O-CG 3.31Å; I482-E486 WeakPolarHBondContact O-CG 3.26Å; I482-E486 PolarHBondContact O-N 3.44Å; I482-L500 HydrophobicContact CG2-CD1 4.12Å; I482-M506 HydrophobicContact CD1-CB 3.95Å; I482-M506 HydrophobicContact CD1-CE 4.39Å; I482-M506 WeakPolarHBondContact CD1-O 3.21Å; I482-M506 WeakPolarHBondContact CG1-O 3.43Å; I482-M506 HydrophobicContact CG2-CE 4.33Å; I482-T509 HydrophobicContact CG1-CG2 4.32Å; I482-A510 HydrophobicContact CD1-CB 3.86Å; I482-A510 HydrophobicContact CG1-CB 4.06Å |
| 483 | D | 97.9 | Very high | 97.7 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -43.5 | -179 | -171.5 | 61.3 | 0 | 0 | 0 | 112.5 | W479 E480 K487 R497 | W479-D483 HydrophobicContact CH2-CB 4.13Å; W479-D483 HydrophobicContact CZ2-CB 3.75Å; W479-D483 PolarHBondContact O-N 3.29Å; E480-D483 PolarHBondContact O-N 2.98Å; D483-K487 WeakPolarHBondContact O-CB 3.41Å; D483-K487 VanDerWaalsContact O-CG 3.29Å; D483-K487 WeakPolarHBondContact O-CG 3.39Å; D483-K487 PolarHBondContact O-N 3.06Å; D483-K487 WeakPolarHBondContact OD2-CE 3.24Å; D483-K487 IonicContact OD2-NZ 3.91Å; D483-K487 PolarHBondContact OD2-NZ 3.06Å; D483-R497 IonicContact OD1-CZ 3.77Å; D483-R497 IonicContact OD1-NH1 2.89Å; D483-R497 PolarHBondContact OD1-NH1 2.78Å; D483-R497 IonicContact OD1-NH2 2.75Å; D483-R497 PolarHBondContact OD1-NH2 3.31Å |
| 484 | E | 97.8 | Very high | 97.6 | Very high | 115 Ų | 115 | 64.5 Ų | 64.5 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 175.5 | -75.5 | 172.9 | 176.1 | 0 | 0 | 112.1 | E480 I482 E486 K487 L488 | E480-E484 WeakPolarHBondContact O-CB 3.17Å; E480-E484 VanDerWaalsContact O-CG 3.3Å; E480-E484 WeakPolarHBondContact O-CG 3.44Å; E480-E484 PolarHBondContact O-N 2.74Å; I482-E484 VanDerWaalsContact C-N 3.33Å; I482-E484 PolarHBondContact O-N 2.86Å; E484-E486 VanDerWaalsContact C-N 3.32Å; E484-E486 PolarHBondContact O-N 3.45Å; E484-K487 PolarHBondContact O-N 3.17Å; E484-L488 WeakPolarHBondContact O-CB 3.15Å; E484-L488 VanDerWaalsContact O-CG 3.32Å; E484-L488 WeakPolarHBondContact O-CG 3.34Å; E484-L488 PolarHBondContact O-N 3.28Å |
| 485 | A | 98.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 65 Ų | 65 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | R481 I482 L488 A489 T509 | R481-A485 WeakPolarHBondContact O-CB 3.3Å; R481-A485 PolarHBondContact O-N 3.19Å; I482-A485 PolarHBondContact O-N 3.07Å; A485-L488 PolarHBondContact O-N 2.79Å; A485-A489 WeakPolarHBondContact O-CB 3.39Å; A485-A489 PolarHBondContact O-N 3.2Å; A485-T509 HydrophobicContact CB-CG2 3.61Å |
| 486 | E | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.4 | -67.6 | -176.6 | 162.6 | 0 | 0 | 112.3 | R64 I482 E484 A489 G490 R497 E498 K499 L500 | R64-E486 IonicContact CZ-OE1 3.38Å; R64-E486 IonicContact CZ-OE2 3.3Å; R64-E486 IonicContact NH1-OE2 3.63Å; R64-E486 PolarHBondContact NH1-OE2 2.93Å; R64-E486 IonicContact NH2-OE1 3.67Å; R64-E486 PolarHBondContact NH2-OE1 3.42Å; R64-E486 IonicContact NH2-OE2 2.74Å; R64-E486 PolarHBondContact NH2-OE2 3.28Å; I482-E486 HydrophobicContact CG2-CG 4.28Å; I482-E486 VanDerWaalsContact O-CG 3.31Å; I482-E486 WeakPolarHBondContact O-CG 3.26Å; I482-E486 PolarHBondContact O-N 3.44Å; E484-E486 VanDerWaalsContact C-N 3.32Å; E484-E486 PolarHBondContact O-N 3.45Å; E486-A489 PolarHBondContact O-N 2.97Å; E486-G490 PolarHBondContact O-N 3.23Å; E486-R497 HydrophobicContact CB-CB 4.17Å; E486-R497 CarbonylContact O-C 3.54Å; E486-R497 VanDerWaalsContact O-CA 3.28Å; E486-R497 WeakPolarHBondContact O-CA 3.4Å; E486-R497 IonicContact OE2-CZ 3.67Å; E486-R497 IonicContact OE2-NH1 3.57Å; E486-R497 PolarHBondContact OE2-NH1 3.45Å; E486-E498 WeakPolarHBondContact CA-O 3.45Å; E486-E498 WeakPolarHBondContact CB-O 3.21Å; E486-E498 VanDerWaalsContact CG-O 3.29Å; E486-E498 WeakPolarHBondContact CG-O 3.34Å; E486-E498 PolarHBondContact O-N 2.9Å; E486-K499 WeakPolarHBondContact OE1-CA 3.4Å; E486-L500 HydrophobicContact CG-CG 4.19Å; E486-L500 PolarHBondContact OE1-N 3.24Å; E486-L500 VanDerWaalsContact OE1-N 3.08Å |
| 487 | K | 98.2 | Very high | 97.4 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.3 | -77.8 | 167.7 | 172.6 | 167.5 | 0 | 111.5 | D483 E484 G490 Q491 | D483-K487 WeakPolarHBondContact O-CB 3.41Å; D483-K487 VanDerWaalsContact O-CG 3.29Å; D483-K487 WeakPolarHBondContact O-CG 3.39Å; D483-K487 PolarHBondContact O-N 3.06Å; D483-K487 WeakPolarHBondContact OD2-CE 3.24Å; D483-K487 IonicContact OD2-NZ 3.91Å; D483-K487 PolarHBondContact OD2-NZ 3.06Å; E484-K487 PolarHBondContact O-N 3.17Å; K487-G490 PolarHBondContact O-N 3.25Å; K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 2.78Å |
| 488 | L | 98.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 57.7 Ų | 57.7 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 177.1 | -72.5 | 171.1 | 0 | 0 | 0 | 111.5 | E484 A485 G490 Q491 I492 | E484-L488 WeakPolarHBondContact O-CB 3.15Å; E484-L488 VanDerWaalsContact O-CG 3.32Å; E484-L488 WeakPolarHBondContact O-CG 3.34Å; E484-L488 PolarHBondContact O-N 3.28Å; A485-L488 PolarHBondContact O-N 2.79Å; L488-G490 VanDerWaalsContact C-N 3.31Å; L488-G490 PolarHBondContact O-N 2.71Å; L488-Q491 PolarHBondContact O-N 2.83Å; L488-I492 WeakPolarHBondContact O-CG1 3.42Å; L488-I492 PolarHBondContact O-N 2.75Å |
| 489 | A | 98 | Very high | 97.5 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A485 E486 I492 E498 | A485-A489 WeakPolarHBondContact O-CB 3.39Å; A485-A489 PolarHBondContact O-N 3.2Å; E486-A489 PolarHBondContact O-N 2.97Å; A489-I492 PolarHBondContact O-N 3.14Å; A489-E498 HydrophobicContact CB-CB 3.82Å; A489-E498 HydrophobicContact CB-CG 4.44Å |
| 490 | G | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E486 K487 L488 I492 L493 D494 K495 | E486-G490 PolarHBondContact O-N 3.23Å; K487-G490 PolarHBondContact O-N 3.25Å; L488-G490 VanDerWaalsContact C-N 3.31Å; L488-G490 PolarHBondContact O-N 2.71Å; G490-I492 VanDerWaalsContact C-N 3.27Å; G490-I492 PolarHBondContact O-N 3.33Å; G490-L493 CarbonylContact O-C 3.01Å; G490-L493 WeakPolarHBondContact O-CA 3.5Å; G490-L493 PolarHBondContact O-N 3.11Å; G490-D494 PolarHBondContact O-N 3.47Å; G490-D494 VanDerWaalsContact O-N 3.08Å; G490-K495 CarbonylContact C-O 3.57Å; G490-K495 WeakPolarHBondContact CA-O 3.41Å; G490-K495 PolarHBondContact O-N 2.95Å |
| 491 | Q | 97.5 | Very high | 97.3 | Very high | 137 Ų | 137 | 58 Ų | 58 | 64% | 0.64 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.1 | -38.1 | 178 | -75.2 | 171.9 | 4.3 | 0 | 0 | 112.4 | K487 L488 L493 D494 | K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 2.78Å; L488-Q491 PolarHBondContact O-N 2.83Å; Q491-L493 PolarHBondContact O-N 3.27Å; Q491-D494 PolarHBondContact O-N 2.78Å |
| 492 | I | 97.1 | Very high | 97.2 | Very high | 147 Ų | 147 | 57.2 Ų | 57.2 | 75% | 0.754 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.6 | -29.4 | 175.5 | -64.9 | 166.1 | 0 | 0 | 0 | 111.4 | L488 A489 G490 | L488-I492 WeakPolarHBondContact O-CG1 3.42Å; L488-I492 PolarHBondContact O-N 2.75Å; A489-I492 PolarHBondContact O-N 3.14Å; G490-I492 VanDerWaalsContact C-N 3.27Å; G490-I492 PolarHBondContact O-N 3.33Å |
| 493 | L | 96.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 58.8 Ų | 58.8 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 10.2 | -177.2 | -62.5 | 170 | 0 | 0 | 0 | 113.4 | E194 G490 Q491 K495 E498 | E194-L493 HydrophobicContact CG-CD1 3.54Å; E194-L493 HydrophobicContact CG-CD2 4.42Å; G490-L493 CarbonylContact O-C 3.01Å; G490-L493 WeakPolarHBondContact O-CA 3.5Å; G490-L493 PolarHBondContact O-N 3.11Å; Q491-L493 PolarHBondContact O-N 3.27Å; L493-K495 VanDerWaalsContact C-N 3.34Å; L493-K495 HydrophobicContact CB-CD 4.3Å; L493-K495 HydrophobicContact CB-CG 4.2Å; L493-K495 PolarHBondContact O-N 3.05Å; L493-E498 HydrophobicContact CD1-CB 4.17Å; L493-E498 HydrophobicContact CD1-CG 4.2Å |
| 494 | D | 96 | Very high | 97 | Very high | 148 Ų | 148 | 65.4 Ų | 65.4 | 79% | 0.791 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 41.4 | -177 | -163.9 | 33.8 | 0 | 0 | 0 | 114 | G490 Q491 | G490-D494 PolarHBondContact O-N 3.47Å; G490-D494 VanDerWaalsContact O-N 3.08Å; Q491-D494 PolarHBondContact O-N 2.78Å |
| 495 | K | 96.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -141.3 | 164.7 | 177.1 | 72.1 | -173.2 | -174.5 | -178.4 | 0 | 113.1 | I192 E194 G490 L493 R497 E498 | I192-K495 PolarHBondContact O-NZ 3.34Å; E194-K495 IonicContact OE1-NZ 3.19Å; E194-K495 PolarHBondContact OE1-NZ 3.18Å; G490-K495 CarbonylContact C-O 3.57Å; G490-K495 WeakPolarHBondContact CA-O 3.41Å; G490-K495 PolarHBondContact O-N 2.95Å; L493-K495 VanDerWaalsContact C-N 3.34Å; L493-K495 HydrophobicContact CB-CD 4.3Å; L493-K495 HydrophobicContact CB-CG 4.2Å; L493-K495 PolarHBondContact O-N 3.05Å; K495-R497 VanDerWaalsContact C-N 3.28Å; K495-R497 WeakPolarHBondContact CE-O 3.32Å; K495-R497 PolarHBondContact O-N 3.14Å; K495-E498 WeakPolarHBondContact CE-OE2 3.22Å; K495-E498 IonicContact NZ-OE2 2.79Å; K495-E498 PolarHBondContact NZ-OE2 3.19Å |
| 496 | P | 95.8 | Very high | 96.9 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -62.3 | -30.3 | -171.1 | -25.7 | 34.8 | 0 | 0 | 0 | 115.2 | S189 | S189-P496 VanDerWaalsContact O-CD 3.3Å; S189-P496 WeakPolarHBondContact O-CD 3.45Å |
| 497 | R | 97 | Very high | 96.8 | Very high | 25 Ų | 25 | 61.5 Ų | 61.5 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | trans | -169.7 | 157.7 | 176 | 60.6 | 175.7 | 63.6 | -133.2 | 1.5 | 110.9 | D191 D483 E486 K495 K499 | D191-R497 HydrophobicContact CB-CG 3.67Å; D483-R497 IonicContact OD1-CZ 3.77Å; D483-R497 IonicContact OD1-NH1 2.89Å; D483-R497 PolarHBondContact OD1-NH1 2.78Å; D483-R497 IonicContact OD1-NH2 2.75Å; D483-R497 PolarHBondContact OD1-NH2 3.31Å; E486-R497 HydrophobicContact CB-CB 4.17Å; E486-R497 CarbonylContact O-C 3.54Å; E486-R497 VanDerWaalsContact O-CA 3.28Å; E486-R497 WeakPolarHBondContact O-CA 3.4Å; E486-R497 IonicContact OE2-CZ 3.67Å; E486-R497 IonicContact OE2-NH1 3.57Å; E486-R497 PolarHBondContact OE2-NH1 3.45Å; K495-R497 VanDerWaalsContact C-N 3.28Å; K495-R497 WeakPolarHBondContact CE-O 3.32Å; K495-R497 PolarHBondContact O-N 3.14Å; R497-K499 HydrophobicContact CG-CG 4.44Å | ||
| 498 | E | 97.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | trans | -116.9 | 114.6 | 164.9 | 176.4 | 61.2 | -175.8 | 0 | 0 | 109.2 | P193 E194 E486 A489 L493 K495 | P193-E498 WeakPolarHBondContact CA-OE1 3.42Å; P193-E498 VanDerWaalsContact CA-OE2 3.32Å; P193-E498 WeakPolarHBondContact CA-OE2 3.31Å; E194-E498 PolarHBondContact N-OE1 2.87Å; E194-E498 PolarHBondContact N-OE2 3.08Å; E486-E498 WeakPolarHBondContact CA-O 3.45Å; E486-E498 WeakPolarHBondContact CB-O 3.21Å; E486-E498 VanDerWaalsContact CG-O 3.29Å; E486-E498 WeakPolarHBondContact CG-O 3.34Å; E486-E498 PolarHBondContact O-N 2.9Å; A489-E498 HydrophobicContact CB-CB 3.82Å; A489-E498 HydrophobicContact CB-CG 4.44Å; L493-E498 HydrophobicContact CD1-CB 4.17Å; L493-E498 HydrophobicContact CD1-CG 4.2Å; K495-E498 WeakPolarHBondContact CE-OE2 3.22Å; K495-E498 IonicContact NZ-OE2 2.79Å; K495-E498 PolarHBondContact NZ-OE2 3.19Å | ||
| 499 | K | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 2% | 0.022 | 32% | 0.323 | C | S | . | . | trans | -78.2 | 144.1 | -170.6 | -62.4 | -166.8 | -164.7 | 78.9 | 0 | 112.7 | Y65 N147 D191 E486 R497 T501 | Y65-K499 HydrophobicContact CE1-CD 4.21Å; N147-K499 WeakPolarHBondContact O-CD 3.3Å; N147-K499 WeakPolarHBondContact O-CE 3.46Å; N147-K499 PolarHBondContact O-NZ 3.08Å; D191-K499 VanDerWaalsContact CG-NZ 3.27Å; D191-K499 PolarHBondContact O-NZ 3.24Å; D191-K499 IonicContact OD1-NZ 2.92Å; D191-K499 WeakPolarHBondContact OD2-CE 2.93Å; D191-K499 IonicContact OD2-NZ 3.44Å; D191-K499 PolarHBondContact OD2-NZ 3.09Å; E486-K499 WeakPolarHBondContact OE1-CA 3.4Å; R497-K499 HydrophobicContact CG-CG 4.44Å; K499-T501 PolarHBondContact O-N 3.04Å | ||
| 500 | L | 96.7 | Very high | 96.7 | Very high | 41 Ų | 41 | 60 Ų | 60 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | trans | -76.5 | 114 | 167.6 | -63.4 | -177.6 | 0 | 0 | 0 | 109.4 | I482 E486 M506 T509 | I482-L500 HydrophobicContact CG2-CD1 4.12Å; E486-L500 HydrophobicContact CG-CG 4.19Å; E486-L500 PolarHBondContact OE1-N 3.24Å; E486-L500 VanDerWaalsContact OE1-N 3.08Å; L500-M506 HydrophobicContact CB-CG 3.75Å; L500-M506 HydrophobicContact CD1-CG 4.43Å; L500-T509 HydrophobicContact CD1-CG2 4.21Å; L500-T509 VanDerWaalsContact CD1-OG1 3.29Å; L500-T509 WeakPolarHBondContact CD1-OG1 3.32Å | ||
| 501 | T | 95.7 | Very high | 96.6 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | trans | -94.2 | 8.2 | -170.2 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | P150 S151 P193 K499 | P150-T501 VanDerWaalsContact CA-O 3.32Å; P150-T501 WeakPolarHBondContact CA-O 3.41Å; S151-T501 PolarHBondContact N-O 2.96Å; S151-T501 VanDerWaalsContact N-O 3.15Å; P193-T501 HydrophobicContact CB-CG2 4.18Å; P193-T501 HydrophobicContact CG-CG2 3.98Å; K499-T501 PolarHBondContact O-N 3.04Å | ||
| 502 | T | 95.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 31% | 0.307 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -131.4 | 144.7 | 175.6 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | Q504 S505 M506 | T502-Q504 PolarHBondContact O-N 3.33Å; T502-S505 PolarHBondContact O-N 2.7Å; T502-S505 PolarHBondContact O-OG 2.74Å; T502-S505 VanDerWaalsContact OG1-CB 3.29Å; T502-S505 WeakPolarHBondContact OG1-CB 3.47Å; T502-S505 PolarHBondContact OG1-N 2.94Å; T502-S505 VanDerWaalsContact OG1-N 3.17Å; T502-S505 PolarHBondContact OG1-OG 3.12Å; T502-M506 WeakPolarHBondContact O-CG 3.24Å; T502-M506 PolarHBondContact O-N 3.3Å; T502-M506 VanDerWaalsContact O-N 3.11Å |
| 503 | I | 95.9 | Very high | 95 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.4 | -40 | 176.5 | -61.6 | -67 | 0 | 0 | 0 | 110.4 | L56 P57 P150 S505 M506 L507 | L56-I503 HydrophobicContact CD2-CD1 4.04Å; P57-I503 VanDerWaalsContact CD-CD1 3.47Å; P57-I503 HydrophobicContact CG-CD1 3.98Å; P57-I503 HydrophobicContact CG-CG2 4.23Å; P150-I503 HydrophobicContact CB-CD1 3.75Å; P150-I503 HydrophobicContact CB-CG1 4.23Å; P150-I503 HydrophobicContact CG-CD1 3.86Å; I503-S505 PolarHBondContact O-N 3.36Å; I503-M506 PolarHBondContact O-N 2.75Å; I503-L507 HydrophobicContact CG2-CD1 3.76Å; I503-L507 HydrophobicContact CG2-CG 4.06Å; I503-L507 VanDerWaalsContact O-CG 3.29Å; I503-L507 WeakPolarHBondContact O-CG 3.17Å; I503-L507 PolarHBondContact O-N 2.9Å |
| 504 | Q | 95.7 | Very high | 93 | Very high | 159 Ų | 159 | 62.5 Ų | 62.5 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.9 | -46.7 | 178.1 | -173.3 | -176.9 | 1.7 | 0 | 0 | 112.8 | T502 L507 K508 | T502-Q504 PolarHBondContact O-N 3.33Å; Q504-L507 PolarHBondContact O-N 2.86Å; Q504-K508 WeakPolarHBondContact O-CB 3.13Å; Q504-K508 PolarHBondContact O-N 3.46Å |
| 505 | S | 95.8 | Very high | 90.4 | Very high | 32 Ų | 32 | 59.7 Ų | 59.7 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 179.2 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | T502 I503 T509 | T502-S505 PolarHBondContact O-N 2.7Å; T502-S505 PolarHBondContact O-OG 2.74Å; T502-S505 VanDerWaalsContact OG1-CB 3.29Å; T502-S505 WeakPolarHBondContact OG1-CB 3.47Å; T502-S505 PolarHBondContact OG1-N 2.94Å; T502-S505 VanDerWaalsContact OG1-N 3.17Å; T502-S505 PolarHBondContact OG1-OG 3.12Å; I503-S505 PolarHBondContact O-N 3.36Å; S505-T509 WeakPolarHBondContact O-CB 3.38Å; S505-T509 PolarHBondContact O-N 2.64Å; S505-T509 VanDerWaalsContact O-N 3.07Å; S505-T509 PolarHBondContact O-OG1 3.4Å |
| 506 | M | 97.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 173.7 | -66.6 | 178.2 | 91.2 | 0 | 0 | 111.7 | P57 P150 W479 I482 L500 T502 I503 T509 A510 | P57-M506 HydrophobicContact CB-CB 4.1Å; P57-M506 HydrophobicContact CB-CE 4.03Å; P57-M506 HydrophobicContact CB-SD 4.29Å; P57-M506 HydrophobicContact CG-CB 4.17Å; P57-M506 HydrophobicContact CG-SD 4.22Å; P150-M506 HydrophobicContact CB-SD 3.53Å; P150-M506 VanDerWaalsContact CB-SD 3.53Å; P150-M506 HydrophobicContact CG-CE 4.42Å; P150-M506 HydrophobicContact CG-SD 3.57Å; P150-M506 VanDerWaalsContact CG-SD 3.57Å; W479-M506 HydrophobicContact CZ3-CE 4.42Å; I482-M506 HydrophobicContact CD1-CB 3.95Å; I482-M506 HydrophobicContact CD1-CE 4.39Å; I482-M506 WeakPolarHBondContact CD1-O 3.21Å; I482-M506 WeakPolarHBondContact CG1-O 3.43Å; I482-M506 HydrophobicContact CG2-CE 4.33Å; L500-M506 HydrophobicContact CB-CG 3.75Å; L500-M506 HydrophobicContact CD1-CG 4.43Å; T502-M506 WeakPolarHBondContact O-CG 3.24Å; T502-M506 PolarHBondContact O-N 3.3Å; T502-M506 VanDerWaalsContact O-N 3.11Å; I503-M506 PolarHBondContact O-N 2.75Å; M506-T509 PolarHBondContact O-N 2.95Å; M506-A510 WeakPolarHBondContact O-CB 3.18Å; M506-A510 PolarHBondContact O-N 3.41Å |
| 507 | L | 96.9 | Very high | 84.6 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | -179.9 | -67.1 | 176.8 | 0 | 0 | 0 | 111.7 | P57 N95 V474 I503 Q504 T509 A510 F511 | P57-L507 HydrophobicContact CB-CD2 4.47Å; P57-L507 HydrophobicContact CG-CD2 4.05Å; P57-L507 HydrophobicContact CG-CG 4.43Å; N95-L507 HydrophobicContact CB-CD2 4.36Å; V474-L507 HydrophobicContact CG2-CD2 3.62Å; I503-L507 HydrophobicContact CG2-CD1 3.76Å; I503-L507 HydrophobicContact CG2-CG 4.06Å; I503-L507 VanDerWaalsContact O-CG 3.29Å; I503-L507 WeakPolarHBondContact O-CG 3.17Å; I503-L507 PolarHBondContact O-N 2.9Å; Q504-L507 PolarHBondContact O-N 2.86Å; L507-T509 VanDerWaalsContact C-N 3.27Å; L507-T509 PolarHBondContact O-N 2.86Å; L507-A510 PolarHBondContact O-N 3.44Å; L507-F511 HydrophobicContact CD2-CE2 4Å; L507-F511 WeakPolarHBondContact O-CD2 3.28Å; L507-F511 PolarHBondContact O-N 2.96Å |
| 508 | K | 96.8 | Very high | 81.7 | Confident | 162 Ų | 162 | 77.6 Ų | 77.6 | 70% | 0.704 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -55.6 | -44.9 | 174.8 | -177.1 | -179.4 | 177.8 | -177.2 | 0 | 111.3 | Q504 T512 | Q504-K508 WeakPolarHBondContact O-CB 3.13Å; Q504-K508 PolarHBondContact O-N 3.46Å; K508-T512 PolarHBondContact O-N 3.43Å; K508-T512 VanDerWaalsContact O-N 3.11Å; K508-T512 PolarHBondContact O-OG1 3.02Å |
| 509 | T | 97.4 | Very high | 78.9 | Confident | 30 Ų | 30 | 81.1 Ų | 81.1 | 18% | 0.184 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.2 | -45 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | I482 A485 L500 S505 M506 L507 F511 T512 | I482-T509 HydrophobicContact CG1-CG2 4.32Å; A485-T509 HydrophobicContact CB-CG2 3.61Å; L500-T509 HydrophobicContact CD1-CG2 4.21Å; L500-T509 VanDerWaalsContact CD1-OG1 3.29Å; L500-T509 WeakPolarHBondContact CD1-OG1 3.32Å; S505-T509 WeakPolarHBondContact O-CB 3.38Å; S505-T509 PolarHBondContact O-N 2.64Å; S505-T509 VanDerWaalsContact O-N 3.07Å; S505-T509 PolarHBondContact O-OG1 3.4Å; M506-T509 PolarHBondContact O-N 2.95Å; L507-T509 VanDerWaalsContact C-N 3.27Å; L507-T509 PolarHBondContact O-N 2.86Å; T509-F511 VanDerWaalsContact C-N 3.27Å; T509-F511 PolarHBondContact O-N 3.29Å; T509-T512 PolarHBondContact O-N 2.96Å; T509-T512 PolarHBondContact O-OG1 2.84Å |
| 510 | A | 96.9 | Very high | 76.2 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -56 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V474 N478 R481 I482 M506 L507 | V474-A510 HydrophobicContact CG1-CB 4.33Å; N478-A510 HydrophobicContact CB-CB 4.04Å; R481-A510 WeakPolarHBondContact CD-O 3.44Å; R481-A510 PolarHBondContact NH1-O 3.22Å; I482-A510 HydrophobicContact CD1-CB 3.86Å; I482-A510 HydrophobicContact CG1-CB 4.06Å; M506-A510 WeakPolarHBondContact O-CB 3.18Å; M506-A510 PolarHBondContact O-N 3.41Å; L507-A510 PolarHBondContact O-N 3.44Å |
| 511 | F | 95.9 | Very high | 73.2 | Confident | 88 Ų | 88 | 95.7 Ų | 95.7 | 39% | 0.386 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 17 | -175.7 | -60.1 | -68 | 0 | 0 | 0 | 114.1 | H472 V473 V474 N478 L507 T509 D513 | H472-F511 HydrophobicContact CB-CE2 4.27Å; H472-F511 HydrophobicContact CB-CZ 4.41Å; V473-F511 WeakPolarHBondContact O-CZ 3.34Å; V474-F511 HydrophobicContact CG2-CE2 4.15Å; V474-F511 HydrophobicContact CG2-CZ 4.16Å; N478-F511 VanDerWaalsContact ND2-CE1 3.34Å; N478-F511 WeakPolarHBondContact ND2-CE1 3.29Å; L507-F511 HydrophobicContact CD2-CE2 4Å; L507-F511 WeakPolarHBondContact O-CD2 3.28Å; L507-F511 PolarHBondContact O-N 2.96Å; T509-F511 VanDerWaalsContact C-N 3.27Å; T509-F511 PolarHBondContact O-N 3.29Å; F511-D513 PolarHBondContact O-N 3.45Å |
| 512 | T | 90.3 | Very high | 70.4 | Confident | 78 Ų | 78 | 105.5 Ų | 105.5 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | trans | -61.4 | 127.8 | 171.4 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | K508 T509 V514 | K508-T512 PolarHBondContact O-N 3.43Å; K508-T512 VanDerWaalsContact O-N 3.11Å; K508-T512 PolarHBondContact O-OG1 3.02Å; T509-T512 PolarHBondContact O-N 2.96Å; T509-T512 PolarHBondContact O-OG1 2.84Å; T512-V514 PolarHBondContact O-N 3.2Å; T512-V514 VanDerWaalsContact O-N 3.14Å | ||
| 513 | D | 71 | Confident | 69.1 | Low | 151 Ų | 151 | 108.3 Ų | 108.3 | 81% | 0.807 | 57% | 0.565 | S | S | * | * | trans | -57.1 | 118.6 | 176.5 | -72.1 | -38.7 | 0 | 0 | 0 | 108.9 | F511 A515 | F511-D513 PolarHBondContact O-N 3.45Å; D513-A515 VanDerWaalsContact C-N 3.28Å; D513-A515 PolarHBondContact O-N 3.29Å | ||
| 514 | V | 54.9 | Low | 67.7 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | trans | -67.1 | 98.9 | 168.2 | 178.8 | 0 | 0 | 0 | 0 | 105 | T512 Q516 | T512-V514 PolarHBondContact O-N 3.2Å; T512-V514 VanDerWaalsContact O-N 3.14Å; V514-Q516 VanDerWaalsContact C-N 3.34Å; V514-Q516 PolarHBondContact O-N 3.49Å | ||
| 515 | A | 41.6 | Very low | 66.1 | Low | 88 Ų | 88 | 109.7 Ų | 109.7 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | trans | -52.3 | 108.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | D513 | D513-A515 VanDerWaalsContact C-N 3.28Å; D513-A515 PolarHBondContact O-N 3.29Å | ||
| 516 | Q | 32.4 | Very low | 64.4 | Low | 171 Ų | 171 | 114.2 Ų | 114.2 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | trans | -53.2 | 134.4 | 173.2 | -75.7 | -156.8 | -18.9 | 0 | 0 | 106.9 | V514 K518 | V514-Q516 VanDerWaalsContact C-N 3.34Å; V514-Q516 PolarHBondContact O-N 3.49Å; Q516-K518 PolarHBondContact O-N 2.98Å | ||
| 517 | P | 36.9 | Very low | 62.3 | Low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 64% | 0.636 | S | S | * | * | trans | -51.9 | 120.4 | 175.3 | -4.5 | 6.9 | 0 | 0 | 0 | 106.7 | S519 | P517-S519 PolarHBondContact O-N 3.1Š| ||
| 518 | K | 35.8 | Very low | 60 | Low | 203 Ų | 203 | 127.1 Ų | 127.1 | 88% | 0.883 | 67% | 0.665 | S | S | * | * | trans | -47.5 | 114.9 | 172.8 | -76.8 | -178.5 | 176.6 | 177.7 | 0 | 105.5 | Q516 S520 | Q516-K518 PolarHBondContact O-N 2.98Å; K518-S520 PolarHBondContact O-N 3.1Å | ||
| 519 | S | 40.3 | Very low | 57.3 | Low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -51.6 | 116.8 | 169.3 | 51.4 | 0 | 0 | 0 | 0 | 105.7 | P517 R521 | P517-S519 PolarHBondContact O-N 3.1Å; S519-R521 PolarHBondContact O-N 2.79Å | ||
| 520 | S | 40.4 | Very low | 54.3 | Low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | trans | -59.6 | 96.9 | 171.6 | 47.3 | 0 | 0 | 0 | 0 | 106 | K518 Q522 | K518-S520 PolarHBondContact O-N 3.1Å; S520-Q522 VanDerWaalsContact C-N 3.33Å; S520-Q522 PolarHBondContact O-N 2.94Å; S520-Q522 VanDerWaalsContact O-N 3.1Å | ||
| 521 | R | 33.8 | Very low | 50.7 | Low | 237 Ų | 237 | 142.8 Ų | 142.8 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -62.7 | 101.7 | 156.9 | -77.3 | -177.2 | 174.3 | -176.4 | -2.3 | 106 | S519 | S519-R521 PolarHBondContact O-N 2.79Š| ||
| 522 | Q | 35.2 | Very low | 46.6 | Very low | 265 Ų | 265 | 147.8 Ų | 147.8 | 100% | 1.238 | 79% | 0.792 | S | S | * | * | trans | -128.3 | 0 | 141.3 | -78.9 | -168.8 | -16.5 | 0 | 0 | 107.3 | S520 | S520-Q522 VanDerWaalsContact C-N 3.33Å; S520-Q522 PolarHBondContact O-N 2.94Å; S520-Q522 VanDerWaalsContact O-N 3.1Å |
Retrieved 522 of 522 residues in 826.9 ms
(Link to these results)