| 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 | 52.5 | Low | 71.8 | Confident | 186 Ų | 186 | 77.1 Ų | 77.1 | 92% | 0.916 | 41% | 0.412 | S | S | * | . | 0 | 131 | 0 | -85.8 | 168.7 | -163.2 | 0 | 0 | 108.8 | Q3 Q95 | M1-Q3 PolarHBondContact O-N 3.33Å; M1-Q95 HydrophobicContact CE-CG 4.09Å; M1-Q95 PolarHBondContact SD-OE1 3.18Å | |||
| 2 | R | 56.6 | Low | 71.6 | Confident | 180 Ų | 180 | 74.2 Ų | 74.2 | 68% | 0.679 | 40% | 0.396 | S | S | * | . | trans | -74.9 | 114.8 | 169.8 | -73.6 | -177.7 | 175.6 | 176.5 | -3.5 | 107.6 | T224 | R2-T224 PolarHBondContact NH1-O 3.2Š| ||
| 3 | Q | 64.5 | Low | 70.7 | Confident | 174 Ų | 174 | 77.3 Ų | 77.3 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | trans | -73.8 | 125.9 | 172.1 | -75.5 | -177.1 | -12.7 | 0 | 0 | 108.2 | M1 | M1-Q3 PolarHBondContact O-N 3.33Š| ||
| 4 | S | 72.7 | Confident | 69.4 | Low | 6 Ų | 6 | 76.1 Ų | 76.1 | 4% | 0.042 | 42% | 0.419 | C | S | . | . | trans | -65.5 | 136.3 | 174.3 | 151.9 | 0 | 0 | 0 | 0 | 109.1 | L6 S7 D220 | S4-L6 PolarHBondContact O-N 2.99Å; S4-L6 WeakPolarHBondContact OG-CA 3.45Å; S4-L6 WeakPolarHBondContact OG-CB 3.29Å; S4-L6 PolarHBondContact OG-N 2.83Å; S4-S7 WeakPolarHBondContact O-CB 3.48Å; S4-S7 PolarHBondContact O-N 3.22Å; S4-S7 PolarHBondContact O-OG 3.26Å; S4-S7 PolarHBondContact OG-N 3.19Å; S4-D220 WeakPolarHBondContact CB-OD2 3.42Å; S4-D220 PolarHBondContact OG-OD2 2.88Å | ||
| 5 | P | 77.7 | Confident | 68.1 | Low | 87 Ų | 87 | 83.8 Ų | 83.8 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -13.4 | 171.3 | 26.2 | -35.2 | 0 | 0 | 0 | 112.7 | D220 T287 | P5-D220 WeakPolarHBondContact CD-OD2 2.9Å; P5-T287 HydrophobicContact CB-CG2 4.1Å |
| 6 | L | 81.6 | Confident | 66.2 | Low | 3 Ų | 3 | 83.9 Ų | 83.9 | 2% | 0.016 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -4.2 | 175.3 | -54.4 | -178.7 | 0 | 0 | 0 | 113 | S4 G8 I9 L216 V217 D220 T287 Y288 Y291 | S4-L6 PolarHBondContact O-N 2.99Å; S4-L6 WeakPolarHBondContact OG-CA 3.45Å; S4-L6 WeakPolarHBondContact OG-CB 3.29Å; S4-L6 PolarHBondContact OG-N 2.83Å; L6-G8 PolarHBondContact O-N 3Å; L6-G8 VanDerWaalsContact O-N 3.08Å; L6-I9 HydrophobicContact CB-CD1 4.36Å; L6-I9 WeakPolarHBondContact O-CB 3.41Å; L6-I9 WeakPolarHBondContact O-CG1 3.44Å; L6-I9 WeakPolarHBondContact O-CG2 3.49Å; L6-I9 PolarHBondContact O-N 3.1Å; L6-L216 HydrophobicContact CD1-CD1 4.46Å; L6-L216 HydrophobicContact CD1-CD2 4.08Å; L6-L216 HydrophobicContact CD1-CG 3.96Å; L6-V217 HydrophobicContact CB-CG2 4.34Å; L6-D220 HydrophobicContact CD1-CB 3.96Å; L6-T287 HydrophobicContact CD2-CG2 4.18Å; L6-Y288 HydrophobicContact CD2-CD1 3.77Å; L6-Y288 HydrophobicContact CD2-CE1 4.05Å; L6-Y291 HydrophobicContact CD1-CD2 4.11Å; L6-Y291 HydrophobicContact CD1-CE2 4.08Å; L6-Y291 HydrophobicContact CD2-CD2 4.2Å; L6-Y291 HydrophobicContact CD2-CE2 4.42Å |
| 7 | S | 76.1 | Confident | 64.6 | Low | 42 Ų | 42 | 83.6 Ų | 83.6 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -59.8 | -28.6 | -174.7 | 64.9 | 0 | 0 | 0 | 0 | 113.3 | S4 I9 L10 | S4-S7 WeakPolarHBondContact O-CB 3.48Å; S4-S7 PolarHBondContact O-N 3.22Å; S4-S7 PolarHBondContact O-OG 3.26Å; S4-S7 PolarHBondContact OG-N 3.19Å; S7-I9 PolarHBondContact O-N 3.25Å; S7-I9 VanDerWaalsContact O-N 3.16Å; S7-L10 PolarHBondContact O-N 2.95Å |
| 8 | G | 77 | Confident | 62.8 | Low | 27 Ų | 27 | 88.7 Ų | 88.7 | 28% | 0.278 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -64 | -11.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L6 L10 S11 | L6-G8 PolarHBondContact O-N 3Å; L6-G8 VanDerWaalsContact O-N 3.08Å; G8-L10 VanDerWaalsContact C-N 3.29Å; G8-S11 PolarHBondContact O-OG 3.19Å |
| 9 | I | 81.5 | Confident | 61 | Low | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -74 | -21.7 | 174.6 | 78.3 | -174.3 | 0 | 0 | 0 | 112.5 | L6 S7 S11 L12 R213 L216 V217 Y288 I295 | L6-I9 HydrophobicContact CB-CD1 4.36Å; L6-I9 WeakPolarHBondContact O-CB 3.41Å; L6-I9 WeakPolarHBondContact O-CG1 3.44Å; L6-I9 WeakPolarHBondContact O-CG2 3.49Å; L6-I9 PolarHBondContact O-N 3.1Å; S7-I9 PolarHBondContact O-N 3.25Å; S7-I9 VanDerWaalsContact O-N 3.16Å; I9-S11 VanDerWaalsContact C-N 3.25Å; I9-S11 PolarHBondContact O-N 3.38Å; I9-L12 HydrophobicContact CB-CD1 4Å; I9-L12 HydrophobicContact CG2-CD1 4.34Å; I9-L12 WeakPolarHBondContact O-CB 3.38Å; I9-L12 PolarHBondContact O-N 3.23Å; I9-R213 HydrophobicContact CD1-CB 3.95Å; I9-R213 HydrophobicContact CD1-CG 4.1Å; I9-R213 HydrophobicContact CG1-CB 4.06Å; I9-R213 HydrophobicContact CG1-CG 4.2Å; I9-L216 HydrophobicContact CD1-CD2 3.99Å; I9-V217 HydrophobicContact CD1-CG2 3.67Å; I9-V217 HydrophobicContact CG1-CG2 3.73Å; I9-Y288 HydrophobicContact CG2-CD1 3.9Å; I9-Y288 HydrophobicContact CG2-CD2 4.24Å; I9-Y288 HydrophobicContact CG2-CE1 3.67Å; I9-Y288 HydrophobicContact CG2-CE2 4.01Å; I9-Y288 HydrophobicContact CG2-CG 4.2Å; I9-I295 HydrophobicContact CB-CG2 4.4Å; I9-I295 HydrophobicContact CD1-CD1 4.48Å; I9-I295 HydrophobicContact CD1-CG1 4.15Å; I9-I295 HydrophobicContact CG2-CD1 4Å; I9-I295 HydrophobicContact CG2-CG1 4.49Å; I9-I295 HydrophobicContact CG2-CG2 4.41Å |
| 10 | L | 77.2 | Confident | 59.4 | Low | 43 Ų | 43 | 95.4 Ų | 95.4 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -73.7 | -20.2 | -179.9 | -59.6 | -179.9 | 0 | 0 | 0 | 112.4 | S7 G8 Y96 R213 V217 | S7-L10 PolarHBondContact O-N 2.95Å; G8-L10 VanDerWaalsContact C-N 3.29Å; L10-Y96 HydrophobicContact CD1-CD1 3.48Å; L10-Y96 VanDerWaalsContact CD1-CD1 3.48Å; L10-Y96 HydrophobicContact CD1-CE1 4.24Å; L10-Y96 HydrophobicContact CD1-CG 4.13Å; L10-R213 HydrophobicContact CD2-CB 4.28Å; L10-V217 HydrophobicContact CD1-CB 4.41Å; L10-V217 HydrophobicContact CD1-CG1 4.16Å; L10-V217 HydrophobicContact CD1-CG2 4.26Å; L10-V217 HydrophobicContact CD2-CB 4.5Å; L10-V217 HydrophobicContact CD2-CG2 3.99Å; L10-V217 HydrophobicContact CG-CG2 3.95Å |
| 11 | S | 72.7 | Confident | 57.7 | Low | 100 Ų | 100 | 99 Ų | 99 | 70% | 0.699 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -90.1 | -1.5 | 173.1 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | G8 I9 | G8-S11 PolarHBondContact O-OG 3.19Å; I9-S11 VanDerWaalsContact C-N 3.25Å; I9-S11 PolarHBondContact O-N 3.38Å |
| 12 | L | 69.3 | Low | 56.4 | Low | 42 Ų | 42 | 97.7 Ų | 97.7 | 22% | 0.22 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -65.9 | 137.7 | 174.7 | -69.5 | 172.4 | 0 | 0 | 0 | 109.4 | I9 V14 R213 I295 Y296 | I9-L12 HydrophobicContact CB-CD1 4Å; I9-L12 HydrophobicContact CG2-CD1 4.34Å; I9-L12 WeakPolarHBondContact O-CB 3.38Å; I9-L12 PolarHBondContact O-N 3.23Å; L12-V14 PolarHBondContact O-N 2.97Å; L12-R213 PolarHBondContact O-NH1 3.07Å; L12-I295 HydrophobicContact CD1-CG2 3.71Å; L12-Y296 HydrophobicContact CD1-CE1 4.14Å |
| 13 | P | 59.4 | Low | 55.1 | Low | 115 Ų | 115 | 94.2 Ų | 94.2 | 75% | 0.747 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 130.5 | -178.9 | 18.7 | -29.3 | 0 | 0 | 0 | 110.1 | R213 | P13-R213 PolarHBondContact O-NH1 3.26Š|
| 14 | V | 53.5 | Low | 53.3 | Low | 61 Ų | 61 | 90.7 Ų | 90.7 | 37% | 0.37 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 119.7 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 104.7 | L12 T16 T210 | L12-V14 PolarHBondContact O-N 2.97Å; V14-T16 HydrophobicContact CB-CG2 4.36Å; V14-T16 HydrophobicContact CG1-CG2 3.99Å; V14-T16 PolarHBondContact O-N 3.42Å; V14-T210 VanDerWaalsContact CG1-OG1 3.31Å; V14-T210 WeakPolarHBondContact CG1-OG1 3.18Å; V14-T210 HydrophobicContact CG2-CG2 4.22Å; V14-T210 WeakPolarHBondContact CG2-OG1 3.31Å |
| 15 | R | 48.8 | Very low | 51.4 | Low | 191 Ų | 191 | 99 Ų | 99 | 72% | 0.721 | 56% | 0.561 | S | S | * | * | trans | -68 | 78.6 | 161.5 | -77.3 | -172.3 | 175.4 | -172.3 | -6.1 | 106.9 | A17 E299 | R15-A17 PolarHBondContact O-N 3.23Å; R15-E299 IonicContact NH1-OE2 3.35Å; R15-E299 PolarHBondContact NH1-OE2 3.1Å; R15-E299 VanDerWaalsContact NH1-OE2 3.09Å | ||
| 16 | T | 38.3 | Very low | 49 | Very low | 85 Ų | 85 | 104.5 Ų | 104.5 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | trans | -63 | 127.7 | 157.6 | 48.4 | 0 | 0 | 0 | 0 | 104.9 | V14 E18 | V14-T16 HydrophobicContact CB-CG2 4.36Å; V14-T16 HydrophobicContact CG1-CG2 3.99Å; V14-T16 PolarHBondContact O-N 3.42Å; T16-E18 PolarHBondContact O-N 3.15Å | ||
| 17 | A | 38.1 | Very low | 46.7 | Very low | 80 Ų | 80 | 110.5 Ų | 110.5 | 66% | 0.661 | 62% | 0.616 | S | S | * | * | trans | -39.6 | 111.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R15 | R15-A17 PolarHBondContact O-N 3.23Š| ||
| 18 | E | 32.3 | Very low | 44.4 | Very low | 174 Ų | 174 | 114 Ų | 114 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | trans | -56.9 | 131.5 | 169.4 | -74.5 | -175 | 164 | 0 | 0 | 105.8 | T16 F20 | T16-E18 PolarHBondContact O-N 3.15Å; E18-F20 PolarHBondContact O-N 2.9Å; E18-F20 VanDerWaalsContact O-N 3.09Å | ||
| 19 | P | 29.2 | Very low | 42.4 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | trans | -58.7 | 123.1 | 165.3 | 26.7 | -28.8 | 0 | 0 | 0 | 104.9 | Q21 | P19-Q21 VanDerWaalsContact C-N 3.29Å; P19-Q21 PolarHBondContact O-N 3.36Å | ||
| 20 | F | 28.3 | Very low | 40.2 | Very low | 201 Ų | 201 | 126 Ų | 126 | 88% | 0.882 | 70% | 0.703 | S | S | * | * | trans | -49.4 | 97.3 | 174.8 | -128.7 | -93 | 0 | 0 | 0 | 108.1 | E18 L22 | E18-F20 PolarHBondContact O-N 2.9Å; E18-F20 VanDerWaalsContact O-N 3.09Å; F20-L22 PolarHBondContact O-N 3.16Å | ||
| 21 | Q | 24.3 | Very low | 37.9 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -76.7 | 106.1 | 164.6 | -82.3 | -172.5 | -12.7 | 0 | 0 | 104.5 | P19 S23 | P19-Q21 VanDerWaalsContact C-N 3.29Å; P19-Q21 PolarHBondContact O-N 3.36Å; Q21-S23 PolarHBondContact O-N 2.92Å | ||
| 22 | L | 25.1 | Very low | 36 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -61.3 | 87.2 | 161.4 | -81.5 | 157.7 | 0 | 0 | 0 | 107.2 | F20 A24 | F20-L22 PolarHBondContact O-N 3.16Å; L22-A24 PolarHBondContact O-N 3.14Å; L22-A24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | S | 29.3 | Very low | 34.2 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -68.3 | 101.9 | 157.7 | 52.3 | 0 | 0 | 0 | 0 | 106.4 | Q21 E25 | Q21-S23 PolarHBondContact O-N 2.92Å; S23-E25 PolarHBondContact O-N 2.87Å | ||
| 24 | A | 26.2 | Very low | 33 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -66.2 | 95.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L22 | L22-A24 PolarHBondContact O-N 3.14Å; L22-A24 VanDerWaalsContact O-N 3.12Å | ||
| 25 | E | 32.7 | Very low | 31.9 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -146.9 | 111 | 156 | -111 | 170.7 | -161.8 | 0 | 0 | 108.6 | S23 V27 | S23-E25 PolarHBondContact O-N 2.87Å; E25-V27 PolarHBondContact O-N 2.88Å | ||
| 26 | Q | 28.2 | Very low | 31 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | -66.4 | 114 | -177.9 | -73.5 | 169.8 | -37.4 | 0 | 0 | 110 | ||||
| 27 | V | 33.5 | Very low | 30.7 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -119.3 | 109.3 | 152.4 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | E25 L29 | E25-V27 PolarHBondContact O-N 2.88Å; V27-L29 PolarHBondContact O-N 3.09Å | ||
| 28 | S | 28 | Very low | 30.4 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -70 | 111.9 | -179.3 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 29 | L | 34.5 | Very low | 30.5 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -127.3 | 140.1 | 160.3 | -80.8 | 166.3 | 0 | 0 | 0 | 109.7 | V27 | V27-L29 PolarHBondContact O-N 3.09Š| ||
| 30 | P | 34.8 | Very low | 30.8 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -88.6 | 123.7 | -169.7 | 33 | -29.9 | 0 | 0 | 0 | 113.1 | ||||
| 31 | R | 30 | Very low | 31.1 | Very low | 243 Ų | 243 | 152 Ų | 152 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | 41.4 | 101.7 | 143.3 | -71.8 | -179.4 | 173.5 | 170.8 | -1.8 | 119.4 | ||||
| 32 | E | 32.6 | Very low | 32 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | -118.8 | 154.3 | 126.5 | -84.2 | -170.3 | 168 | 0 | 0 | 108.1 | I34 | E32-I34 PolarHBondContact O-N 3.07Š| |||
| 33 | P | 31.3 | Very low | 33.2 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -71.2 | 96.6 | -171 | 29.4 | -31.7 | 0 | 0 | 0 | 110 | L35 | P33-L35 PolarHBondContact O-N 2.95Å; P33-L35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | I | 34.7 | Very low | 34.8 | Very low | 151 Ų | 151 | 151 Ų | 151 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -59.4 | 115.5 | 163.7 | -62.9 | 169.2 | 0 | 0 | 0 | 106.2 | E32 S36 | E32-I34 PolarHBondContact O-N 3.07Å; I34-S36 PolarHBondContact O-N 3.29Å | ||
| 35 | L | 30.1 | Very low | 37.1 | Very low | 162 Ų | 162 | 151 Ų | 151 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -35.9 | 122.2 | 165.3 | -73.2 | 158.7 | 0 | 0 | 0 | 109 | P33 | P33-L35 PolarHBondContact O-N 2.95Å; P33-L35 VanDerWaalsContact O-N 3.15Å | ||
| 36 | S | 30.1 | Very low | 39.6 | Very low | 72 Ų | 72 | 147 Ų | 147 | 50% | 0.503 | 76% | 0.758 | S | S | . | * | trans | -46 | 133.9 | -175.7 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | I34 Q38 | I34-S36 PolarHBondContact O-N 3.29Å; S36-Q38 PolarHBondContact O-N 2.69Å | ||
| 37 | P | 32.2 | Very low | 42.4 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -65.2 | 16.6 | 175.3 | -18.7 | 30.7 | 0 | 0 | 0 | 115.3 | ||
| 38 | Q | 31.2 | Very low | 45.1 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 20.1 | -172.6 | -74.3 | -175 | -20.1 | 0 | 0 | 114.8 | S36 | S36-Q38 PolarHBondContact O-N 2.69Š|
| 39 | Q | 33.3 | Very low | 48.1 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 80% | 0.799 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 11.9 | -178.2 | -72.9 | -168.7 | -17.3 | 0 | 0 | 116.7 | E41 | Q39-E41 PolarHBondContact O-N 3.35Š|
| 40 | F | 36.7 | Very low | 50.8 | Low | 172 Ų | 172 | 125 Ų | 125 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | trans | -96.6 | 74.9 | 163.2 | -76 | -87.8 | 0 | 0 | 0 | 109.1 | Y43 | F40-Y43 HydrophobicContact CD1-CD2 4.3Å; F40-Y43 AromaticContact CD1-CE2 3.78Å; F40-Y43 HydrophobicContact CD1-CE2 3.78Å; F40-Y43 AromaticContact CE1-CE2 3.81Å; F40-Y43 HydrophobicContact CE1-CE2 3.81Å | ||
| 41 | E | 34.2 | Very low | 53.6 | Low | 169 Ų | 169 | 119.2 Ų | 119.2 | 79% | 0.79 | 59% | 0.586 | S | S | * | * | trans | -51.2 | 139.6 | 148.7 | -79 | -170.9 | 163.5 | 0 | 0 | 107.3 | Q39 Y43 | Q39-E41 PolarHBondContact O-N 3.35Å; E41-Y43 PolarHBondContact O-N 3.17Å | ||
| 42 | P | 44.1 | Very low | 56.6 | Low | 116 Ų | 116 | 107.7 Ų | 107.7 | 75% | 0.753 | 54% | 0.543 | S | S | * | . | trans | -58.3 | 112.4 | 176.3 | 24.8 | -30.6 | 0 | 0 | 0 | 106.7 | T44 | P42-T44 PolarHBondContact O-N 3.01Š| ||
| 43 | Y | 50.2 | Low | 59.4 | Low | 170 Ų | 170 | 99.6 Ų | 99.6 | 67% | 0.667 | 51% | 0.506 | S | S | * | . | trans | -50.7 | 104.8 | 178.5 | -85.7 | -93.1 | 0 | 0 | 0 | 108.2 | F40 E41 K45 | F40-Y43 HydrophobicContact CD1-CD2 4.3Å; F40-Y43 AromaticContact CD1-CE2 3.78Å; F40-Y43 HydrophobicContact CD1-CE2 3.78Å; F40-Y43 AromaticContact CE1-CE2 3.81Å; F40-Y43 HydrophobicContact CE1-CE2 3.81Å; E41-Y43 PolarHBondContact O-N 3.17Å; Y43-K45 PolarHBondContact O-N 3.48Å | ||
| 44 | T | 61.8 | Low | 62.2 | Low | 132 Ų | 132 | 98 Ų | 98 | 81% | 0.81 | 50% | 0.503 | S | S | * | . | trans | -63.3 | 104.9 | 174.1 | -47.8 | 0 | 0 | 0 | 0 | 106.1 | P42 K46 | P42-T44 PolarHBondContact O-N 3.01Å; T44-K46 PolarHBondContact O-N 3.46Å; T44-K46 VanDerWaalsContact O-N 3.13Å | ||
| 45 | K | 75.6 | Confident | 64.8 | Low | 99 Ų | 99 | 94.4 Ų | 94.4 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 123.7 | -177.9 | -75.7 | -179 | 179.4 | 165.9 | 0 | 108.7 | Y43 S101 E102 | Y43-K45 PolarHBondContact O-N 3.48Å; K45-S101 PolarHBondContact NZ-OG 2.88Å; K45-E102 WeakPolarHBondContact CE-O 3.18Å |
| 46 | K | 84.1 | Confident | 67.7 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 145.2 | 175.6 | -66.9 | -175.2 | -175.9 | -174.8 | 0 | 108.8 | T44 E76 C104 Y105 S106 | T44-K46 PolarHBondContact O-N 3.46Å; T44-K46 VanDerWaalsContact O-N 3.13Å; K46-E76 IonicContact NZ-OE2 2.63Å; K46-E76 PolarHBondContact NZ-OE2 3.33Å; K46-C104 PolarHBondContact N-O 3.08Å; K46-Y105 HydrophobicContact CB-CD1 3.77Å; K46-Y105 HydrophobicContact CB-CE1 3.46Å; K46-Y105 VanDerWaalsContact CB-CE1 3.46Å; K46-Y105 HydrophobicContact CD-CE1 4.22Å; K46-Y105 HydrophobicContact CG-CE1 4.42Å; K46-Y105 CarbonylContact O-C 3.55Å; K46-Y105 VanDerWaalsContact O-CA 3.28Å; K46-Y105 WeakPolarHBondContact O-CA 3.46Å; K46-S106 PolarHBondContact O-N 3.04Å |
| 47 | R | 87.7 | Confident | 70.6 | Confident | 129 Ų | 129 | 96 Ų | 96 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135.1 | 176.7 | -81.6 | -177.1 | -93.9 | 165 | -3.9 | 110.1 | S77 D127 V128 | R47-S77 WeakPolarHBondContact O-CB 3.18Å; R47-S77 PolarHBondContact O-OG 3.12Å; R47-D127 IonicContact CZ-OD2 3.61Å; R47-D127 IonicContact NH1-OD2 3.75Å; R47-D127 IonicContact NH2-OD2 3.74Å; R47-V128 HydrophobicContact CB-CG2 4.35Å |
| 48 | A | 90 | Very high | 73.4 | Confident | 0 Ų | 0 | 90.3 Ų | 90.3 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | I80 S81 Y105 S106 F107 S108 | A48-I80 HydrophobicContact CB-CG2 3.95Å; A48-S81 WeakPolarHBondContact CA-OG 3.4Å; A48-Y105 HydrophobicContact CB-CD1 4.12Å; A48-S106 PolarHBondContact N-O 2.52Å; A48-F107 HydrophobicContact CB-CD1 3.78Å; A48-F107 HydrophobicContact CB-CE1 3.66Å; A48-F107 HydrophobicContact CB-CZ 4.45Å; A48-F107 WeakPolarHBondContact O-CA 3.05Å; A48-S108 PolarHBondContact O-N 2.88Å |
| 49 | Y | 91.1 | Very high | 76.3 | Confident | 10 Ų | 10 | 85.6 Ų | 85.6 | 4% | 0.039 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135 | -178.7 | -62.3 | -73 | 0 | 0 | 0 | 111 | S81 S108 L110 H125 V128 F129 | Y49-S81 PolarHBondContact N-OG 3.04Å; Y49-S81 CarbonylContact O-C 3.44Å; Y49-S81 WeakPolarHBondContact O-CA 3.32Å; Y49-S81 WeakPolarHBondContact O-CB 3.46Å; Y49-S108 CarbonylContact C-O 3.39Å; Y49-S108 WeakPolarHBondContact CA-O 3.47Å; Y49-L110 HydrophobicContact CD1-CD1 3.34Å; Y49-L110 HydrophobicContact CD1-CD2 4.42Å; Y49-L110 HydrophobicContact CD1-CG 3.77Å; Y49-L110 HydrophobicContact CD2-CD1 4.5Å; Y49-L110 HydrophobicContact CE1-CD1 3.91Å; Y49-L110 HydrophobicContact CE1-CG 4.44Å; Y49-L110 HydrophobicContact CG-CD1 3.69Å; Y49-L110 HydrophobicContact CG-CG 4.4Å; Y49-H125 HydrophobicContact CE2-CB 3.94Å; Y49-H125 AromaticContact CE2-CG 3.84Å; Y49-H125 AromaticContact CE2-ND1 3.96Å; Y49-H125 AromaticContact CZ-CE1 3.83Å; Y49-H125 AromaticContact CZ-CG 3.87Å; Y49-H125 AromaticContact CZ-ND1 3.58Å; Y49-H125 PolarHBondContact OH-CE1 3.04Å; Y49-H125 PolarHBondContact OH-ND1 3.22Å; Y49-H125 VanDerWaalsContact OH-ND1 3.12Å; Y49-V128 HydrophobicContact CD2-CB 4.13Å; Y49-V128 HydrophobicContact CD2-CG1 4.11Å; Y49-V128 HydrophobicContact CD2-CG2 4.04Å; Y49-V128 HydrophobicContact CE2-CB 4.03Å; Y49-V128 HydrophobicContact CE2-CG1 4.49Å; Y49-V128 HydrophobicContact CE2-CG2 3.62Å; Y49-F129 AromaticContact CD2-CE2 3.65Å; Y49-F129 HydrophobicContact CD2-CE2 3.65Å; Y49-F129 HydrophobicContact CD2-CZ 4.23Å; Y49-F129 HydrophobicContact CE2-CE2 4.48Å; Y49-F129 HydrophobicContact CG-CE2 4.25Å |
| 50 | I | 91.5 | Very high | 79 | Confident | 4 Ų | 4 | 82.1 Ų | 82.1 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 105.3 | 172.9 | -48.4 | -177.5 | 0 | 0 | 0 | 107 | C52 M84 N88 F107 S108 R109 L110 | I50-C52 PolarHBondContact O-N 3.27Å; I50-C52 PolarHBondContact O-SG 3.17Å; I50-M84 HydrophobicContact CD1-CB 4.26Å; I50-M84 HydrophobicContact CD1-CE 4.29Å; I50-M84 HydrophobicContact CG1-CB 3.85Å; I50-M84 HydrophobicContact CG2-CB 4.43Å; I50-N88 HydrophobicContact CG2-CB 3.74Å; I50-F107 HydrophobicContact CD1-CB 4.27Å; I50-F107 HydrophobicContact CD1-CD1 4.08Å; I50-F107 HydrophobicContact CD1-CG 4.47Å; I50-F107 HydrophobicContact CG1-CD1 4.08Å; I50-S108 PolarHBondContact N-O 3.43Å; I50-R109 HydrophobicContact CB-CG 4.25Å; I50-R109 WeakPolarHBondContact O-CA 3.39Å; I50-L110 PolarHBondContact O-N 3.38Å |
| 51 | I | 93.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123 | -177.7 | -51.4 | 167.6 | 0 | 0 | 0 | 108.2 | L62 W82 T85 L110 V112 L118 M121 F129 | I51-L62 HydrophobicContact CB-CD2 4.34Å; I51-L62 HydrophobicContact CG2-CD1 3.94Å; I51-L62 HydrophobicContact CG2-CD2 3.7Å; I51-W82 HydrophobicContact CD1-CH2 4.02Å; I51-W82 HydrophobicContact CD1-CZ3 3.98Å; I51-T85 HydrophobicContact CB-CG2 3.76Å; I51-T85 HydrophobicContact CD1-CG2 4.47Å; I51-T85 HydrophobicContact CG1-CG2 4.44Å; I51-T85 PolarHBondContact N-OG1 3.28Å; I51-L110 CarbonylContact C-O 3.15Å; I51-L110 WeakPolarHBondContact CA-O 3.3Å; I51-V112 HydrophobicContact CG2-CB 4.44Å; I51-V112 HydrophobicContact CG2-CG1 4.01Å; I51-V112 HydrophobicContact CG2-CG2 3.54Å; I51-L118 HydrophobicContact CD1-CD1 3.78Å; I51-L118 HydrophobicContact CG2-CD1 4.12Å; I51-M121 HydrophobicContact CD1-CE 3.52Å; I51-M121 HydrophobicContact CG1-CE 3.84Å; I51-F129 HydrophobicContact CD1-CE1 4.38Å; I51-F129 HydrophobicContact CD1-CZ 4.06Å |
| 52 | C | 92.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.4 | -172.2 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | I50 N88 L110 F111 V112 | I50-C52 PolarHBondContact O-N 3.27Å; I50-C52 PolarHBondContact O-SG 3.17Å; C52-N88 PolarHBondContact SG-ND2 2.97Å; C52-L110 PolarHBondContact N-O 3.19Å; C52-F111 HydrophobicContact CB-CD1 3.6Å; C52-F111 HydrophobicContact CB-CE1 3.57Å; C52-F111 HydrophobicContact CB-CG 4.22Å; C52-F111 HydrophobicContact CB-CZ 4.17Å; C52-F111 WeakPolarHBondContact O-CA 3.39Å; C52-V112 PolarHBondContact O-N 2.87Å |
| 53 | S | 92.5 | Very high | 86.6 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | trans | -150.8 | 135.3 | 172.1 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | N55 M58 R59 V112 | S53-N55 VanDerWaalsContact C-N 3.3Å; S53-N55 PolarHBondContact OG-N 3.35Å; S53-M58 WeakPolarHBondContact OG-CB 3.29Å; S53-R59 VanDerWaalsContact O-CD 3.26Å; S53-R59 WeakPolarHBondContact O-CD 3.33Å; S53-R59 WeakPolarHBondContact O-CG 3.38Å; S53-V112 VanDerWaalsContact CB-O 3.23Å; S53-V112 WeakPolarHBondContact CB-O 3.48Å; S53-V112 PolarHBondContact OG-O 2.91Å | ||
| 54 | A | 89.1 | Confident | 88.5 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 79% | 0.785 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -75.6 | -23 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S56 | A54-S56 PolarHBondContact O-N 3.29Š|
| 55 | N | 90.5 | Very high | 89.8 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | trans | -76.6 | 120.4 | -178.5 | -178.2 | -39.8 | 0 | 0 | 0 | 110.6 | S53 R57 M58 R59 | S53-N55 VanDerWaalsContact C-N 3.3Å; S53-N55 PolarHBondContact OG-N 3.35Å; N55-R57 PolarHBondContact O-N 3.09Å; N55-R57 WeakPolarHBondContact OD1-CA 3.47Å; N55-R57 WeakPolarHBondContact OD1-CB 3.23Å; N55-R57 PolarHBondContact OD1-N 3.09Å; N55-M58 HydrophobicContact CB-CB 3.89Å; N55-M58 PolarHBondContact O-N 2.87Å; N55-M58 PolarHBondContact OD1-N 3.35Å; N55-M58 VanDerWaalsContact OD1-N 3.14Å; N55-R59 WeakPolarHBondContact O-CG 3.33Å; N55-R59 PolarHBondContact O-N 3.42Å | ||
| 56 | S | 89.4 | Confident | 90.6 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | -178 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | A54 R59 N60 | A54-S56 PolarHBondContact O-N 3.29Å; S56-R59 PolarHBondContact O-N 3.41Å; S56-N60 PolarHBondContact O-N 2.86Å; S56-N60 VanDerWaalsContact O-N 3.09Å |
| 57 | R | 90.8 | Very high | 91 | Very high | 195 Ų | 195 | 44.9 Ų | 44.9 | 74% | 0.736 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.4 | -42.6 | 176.1 | -174.2 | 178.8 | 179.3 | 178.4 | -0.3 | 110.6 | N55 N60 L61 | N55-R57 PolarHBondContact O-N 3.09Å; N55-R57 WeakPolarHBondContact OD1-CA 3.47Å; N55-R57 WeakPolarHBondContact OD1-CB 3.23Å; N55-R57 PolarHBondContact OD1-N 3.09Å; R57-N60 PolarHBondContact O-N 2.77Å; R57-L61 WeakPolarHBondContact O-CG 3.44Å; R57-L61 PolarHBondContact O-N 3.23Å |
| 58 | M | 92.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | 177.4 | -168.7 | 57.3 | -169.5 | 0 | 0 | 111.8 | S53 N55 N60 L61 L62 V112 S114 L118 | S53-M58 WeakPolarHBondContact OG-CB 3.29Å; N55-M58 HydrophobicContact CB-CB 3.89Å; N55-M58 PolarHBondContact O-N 2.87Å; N55-M58 PolarHBondContact OD1-N 3.35Å; N55-M58 VanDerWaalsContact OD1-N 3.14Å; M58-N60 VanDerWaalsContact C-N 3.34Å; M58-N60 PolarHBondContact O-N 3.11Å; M58-L61 WeakPolarHBondContact O-CB 3.39Å; M58-L61 PolarHBondContact O-N 3.19Å; M58-L61 HydrophobicContact SD-CB 4.34Å; M58-L61 HydrophobicContact SD-CD1 4.17Å; M58-L62 HydrophobicContact CE-CD2 4Å; M58-L62 HydrophobicContact CE-CG 4.07Å; M58-L62 HydrophobicContact CG-CD1 4.38Å; M58-L62 HydrophobicContact CG-CG 4.46Å; M58-L62 WeakPolarHBondContact O-CB 3.28Å; M58-L62 VanDerWaalsContact O-CG 3.32Å; M58-L62 WeakPolarHBondContact O-CG 3.38Å; M58-L62 PolarHBondContact O-N 3.26Å; M58-V112 HydrophobicContact CE-CG2 3.89Å; M58-V112 HydrophobicContact CG-CG2 4.29Å; M58-S114 WeakPolarHBondContact CE-O 3.14Å; M58-L118 HydrophobicContact CE-CB 3.91Å; M58-L118 HydrophobicContact CE-CD2 3.71Å; M58-L118 HydrophobicContact CE-CG 4.42Å |
| 59 | R | 91.7 | Very high | 91.2 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 172.5 | -72.9 | -168 | -59.7 | -132.3 | 1.4 | 112.6 | S53 N55 S56 L61 L62 F63 T89 | S53-R59 VanDerWaalsContact O-CD 3.26Å; S53-R59 WeakPolarHBondContact O-CD 3.33Å; S53-R59 WeakPolarHBondContact O-CG 3.38Å; N55-R59 WeakPolarHBondContact O-CG 3.33Å; N55-R59 PolarHBondContact O-N 3.42Å; S56-R59 PolarHBondContact O-N 3.41Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L62 PolarHBondContact O-N 3.26Å; R59-F63 PolarHBondContact O-N 3.28Å; R59-T89 WeakPolarHBondContact O-CG2 3.28Å |
| 60 | N | 89.7 | Confident | 91.2 | Very high | 99 Ų | 99 | 38.6 Ų | 38.6 | 53% | 0.529 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.5 | -71.5 | -12.9 | 0 | 0 | 0 | 111.3 | S56 R57 M58 F63 H64 | S56-N60 PolarHBondContact O-N 2.86Å; S56-N60 VanDerWaalsContact O-N 3.09Å; R57-N60 PolarHBondContact O-N 2.77Å; M58-N60 VanDerWaalsContact C-N 3.34Å; M58-N60 PolarHBondContact O-N 3.11Å; N60-F63 WeakPolarHBondContact O-CB 3.32Å; N60-F63 PolarHBondContact O-N 3.14Å; N60-H64 PolarHBondContact O-CD2 3.43Å; N60-H64 PolarHBondContact O-N 3.37Å; N60-H64 VanDerWaalsContact O-N 3.11Å |
| 61 | L | 90.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61 | -50.6 | 173.5 | -74.8 | 169.7 | 0 | 0 | 0 | 111.3 | R57 M58 R59 F63 H64 F65 | R57-L61 WeakPolarHBondContact O-CG 3.44Å; R57-L61 PolarHBondContact O-N 3.23Å; M58-L61 WeakPolarHBondContact O-CB 3.39Å; M58-L61 PolarHBondContact O-N 3.19Å; M58-L61 HydrophobicContact SD-CB 4.34Å; M58-L61 HydrophobicContact SD-CD1 4.17Å; R59-L61 VanDerWaalsContact C-N 3.34Å; L61-F63 PolarHBondContact O-N 3.42Å; L61-H64 PolarHBondContact O-N 2.93Å; L61-H64 VanDerWaalsContact O-N 3.09Å; L61-F65 HydrophobicContact CB-CD2 4.16Å; L61-F65 HydrophobicContact CB-CE2 3.99Å; L61-F65 HydrophobicContact CD2-CE2 4.04Å; L61-F65 WeakPolarHBondContact O-CD2 3.39Å; L61-F65 PolarHBondContact O-N 3.41Å |
| 62 | L | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.4 | -38.9 | 177.2 | -72.7 | 171.7 | 0 | 0 | 0 | 112.1 | I51 M58 R59 F65 A66 T85 T89 V112 L118 | I51-L62 HydrophobicContact CB-CD2 4.34Å; I51-L62 HydrophobicContact CG2-CD1 3.94Å; I51-L62 HydrophobicContact CG2-CD2 3.7Å; M58-L62 HydrophobicContact CE-CD2 4Å; M58-L62 HydrophobicContact CE-CG 4.07Å; M58-L62 HydrophobicContact CG-CD1 4.38Å; M58-L62 HydrophobicContact CG-CG 4.46Å; M58-L62 WeakPolarHBondContact O-CB 3.28Å; M58-L62 VanDerWaalsContact O-CG 3.32Å; M58-L62 WeakPolarHBondContact O-CG 3.38Å; M58-L62 PolarHBondContact O-N 3.26Å; R59-L62 PolarHBondContact O-N 3.26Å; L62-F65 PolarHBondContact O-N 2.86Å; L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.21Å; L62-T85 HydrophobicContact CB-CG2 4.23Å; L62-T85 HydrophobicContact CD2-CG2 4.39Å; L62-T89 HydrophobicContact CB-CG2 3.7Å; L62-V112 HydrophobicContact CD1-CG2 4.03Å; L62-V112 HydrophobicContact CD2-CG2 4.44Å; L62-L118 HydrophobicContact CD2-CD1 4.23Å; L62-L118 HydrophobicContact CD2-CD2 3.78Å |
| 63 | F | 91.9 | Very high | 90.8 | Very high | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -52.1 | 174.2 | 172.8 | -103 | 0 | 0 | 0 | 111.2 | R59 N60 L61 F65 A66 I67 M86 T89 M149 | R59-F63 PolarHBondContact O-N 3.28Å; N60-F63 WeakPolarHBondContact O-CB 3.32Å; N60-F63 PolarHBondContact O-N 3.14Å; L61-F63 PolarHBondContact O-N 3.42Å; F63-F65 VanDerWaalsContact C-N 3.34Å; F63-F65 PolarHBondContact O-N 3.41Å; F63-A66 PolarHBondContact O-N 3.46Å; F63-I67 HydrophobicContact CD2-CG1 4.36Å; F63-I67 HydrophobicContact CE1-CG1 4.34Å; F63-I67 HydrophobicContact CE2-CD1 4.21Å; F63-I67 HydrophobicContact CE2-CG1 3.96Å; F63-I67 HydrophobicContact CZ-CD1 4.39Å; F63-I67 HydrophobicContact CZ-CG1 3.95Å; F63-I67 WeakPolarHBondContact O-CG1 3.41Å; F63-I67 PolarHBondContact O-N 3.29Å; F63-M86 HydrophobicContact CD2-CG 4.16Å; F63-M86 HydrophobicContact CE2-CG 4.19Å; F63-T89 HydrophobicContact CB-CG2 4.34Å; F63-M149 HydrophobicContact CE2-CB 3.99Å; F63-M149 HydrophobicContact CE2-CG 4.02Å; F63-M149 HydrophobicContact CE2-SD 3.79Å; F63-M149 HydrophobicContact CZ-CB 4.08Å; F63-M149 HydrophobicContact CZ-SD 4.39Å |
| 64 | H | 89.9 | Confident | 90.8 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 179.4 | -71.7 | -62.9 | 0 | 0 | 0 | 112.6 | N60 L61 I67 S68 H142 S145 | N60-H64 PolarHBondContact O-CD2 3.43Å; N60-H64 PolarHBondContact O-N 3.37Å; N60-H64 VanDerWaalsContact O-N 3.11Å; L61-H64 PolarHBondContact O-N 2.93Å; L61-H64 VanDerWaalsContact O-N 3.09Å; H64-I67 PolarHBondContact O-N 2.87Å; H64-S68 VanDerWaalsContact O-CB 3.29Å; H64-S68 WeakPolarHBondContact O-CB 3.35Å; H64-S68 PolarHBondContact O-N 3.28Å; H64-S68 PolarHBondContact O-OG 3.25Å; H64-H142 AromaticContact CE1-CD2 3.8Å; H64-H142 AromaticContact NE2-CD2 3.71Å; H64-S145 PolarHBondContact ND1-OG 2.62Å; H64-S145 VanDerWaalsContact ND1-OG 3.16Å |
| 65 | F | 89.8 | Confident | 91 | Very high | 40 Ų | 40 | 45 Ų | 45 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 176.6 | -73.4 | -59 | 0 | 0 | 0 | 112.3 | L61 L62 F63 I67 S68 S69 W82 L115 F133 F136 | L61-F65 HydrophobicContact CB-CD2 4.16Å; L61-F65 HydrophobicContact CB-CE2 3.99Å; L61-F65 HydrophobicContact CD2-CE2 4.04Å; L61-F65 WeakPolarHBondContact O-CD2 3.39Å; L61-F65 PolarHBondContact O-N 3.41Å; L62-F65 PolarHBondContact O-N 2.86Å; F63-F65 VanDerWaalsContact C-N 3.34Å; F63-F65 PolarHBondContact O-N 3.41Å; F65-I67 VanDerWaalsContact C-N 3.33Å; F65-I67 PolarHBondContact O-N 3.44Å; F65-S68 PolarHBondContact O-N 2.85Å; F65-S69 WeakPolarHBondContact O-CB 3.29Å; F65-S69 PolarHBondContact O-N 2.96Å; F65-W82 HydrophobicContact CB-CH2 4.29Å; F65-W82 HydrophobicContact CB-CZ3 4.23Å; F65-L115 HydrophobicContact CE2-CD1 4.37Å; F65-F133 HydrophobicContact CB-CE1 4.06Å; F65-F133 HydrophobicContact CB-CZ 3.63Å; F65-F133 AromaticContact CD1-CD1 3.66Å; F65-F133 HydrophobicContact CD1-CD1 3.66Å; F65-F133 AromaticContact CD1-CE1 3.1Å; F65-F133 HydrophobicContact CD1-CE1 3.1Å; F65-F133 AromaticContact CD1-CZ 3.55Å; F65-F133 HydrophobicContact CD1-CZ 3.55Å; F65-F133 HydrophobicContact CD2-CD1 4.39Å; F65-F133 AromaticContact CD2-CE1 3.24Å; F65-F133 HydrophobicContact CD2-CE1 3.24Å; F65-F133 AromaticContact CD2-CZ 3.54Å; F65-F133 HydrophobicContact CD2-CZ 3.54Å; F65-F133 AromaticContact CE1-CD1 3.38Å; F65-F133 HydrophobicContact CE1-CD1 3.38Å; F65-F133 AromaticContact CE1-CE1 3.14Å; F65-F133 HydrophobicContact CE1-CE1 3.14Å; F65-F133 HydrophobicContact CE1-CZ 4.07Å; F65-F133 HydrophobicContact CE2-CD1 4.19Å; F65-F133 AromaticContact CE2-CE1 3.3Å; F65-F133 HydrophobicContact CE2-CE1 3.3Å; F65-F133 HydrophobicContact CE2-CZ 4.08Å; F65-F133 HydrophobicContact CG-CD1 4.18Å; F65-F133 AromaticContact CG-CE1 3.17Å; F65-F133 HydrophobicContact CG-CE1 3.17Å; F65-F133 HydrophobicContact CG-CE2 4.46Å; F65-F133 AromaticContact CG-CZ 3.27Å; F65-F133 HydrophobicContact CG-CZ 3.27Å; F65-F133 AromaticContact CZ-CD1 3.68Å; F65-F133 HydrophobicContact CZ-CD1 3.68Å; F65-F133 AromaticContact CZ-CE1 3.25Å; F65-F133 HydrophobicContact CZ-CE1 3.25Å; F65-F133 HydrophobicContact CZ-CZ 4.32Å; F65-F136 HydrophobicContact CD1-CB 4.16Å; F65-F136 AromaticContact CD1-CD2 3.72Å; F65-F136 HydrophobicContact CD1-CD2 3.72Å; F65-F136 HydrophobicContact CD1-CG 4.22Å; F65-F136 HydrophobicContact CE1-CB 4.34Å; F65-F136 HydrophobicContact CE1-CD2 4.23Å |
| 66 | A | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L62 F63 S69 F70 W82 M86 | L62-A66 WeakPolarHBondContact O-CB 3.34Å; L62-A66 PolarHBondContact O-N 3.21Å; F63-A66 PolarHBondContact O-N 3.46Å; A66-S69 PolarHBondContact O-OG 3.29Å; A66-F70 WeakPolarHBondContact O-CD2 3.4Å; A66-F70 WeakPolarHBondContact O-CE2 3.33Å; A66-W82 HydrophobicContact CB-CB 4.44Å; A66-W82 HydrophobicContact CB-CE3 3.68Å; A66-W82 HydrophobicContact CB-CZ3 4.38Å; A66-W82 WeakPolarHBondContact CB-O 3.41Å; A66-M86 HydrophobicContact CB-CB 3.81Å |
| 67 | I | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 176 | -65.2 | -64.6 | 0 | 0 | 0 | 110.9 | F63 H64 F65 S69 F70 M86 V148 M149 L152 | F63-I67 HydrophobicContact CD2-CG1 4.36Å; F63-I67 HydrophobicContact CE1-CG1 4.34Å; F63-I67 HydrophobicContact CE2-CD1 4.21Å; F63-I67 HydrophobicContact CE2-CG1 3.96Å; F63-I67 HydrophobicContact CZ-CD1 4.39Å; F63-I67 HydrophobicContact CZ-CG1 3.95Å; F63-I67 WeakPolarHBondContact O-CG1 3.41Å; F63-I67 PolarHBondContact O-N 3.29Å; H64-I67 PolarHBondContact O-N 2.87Å; F65-I67 VanDerWaalsContact C-N 3.33Å; F65-I67 PolarHBondContact O-N 3.44Å; I67-S69 VanDerWaalsContact C-N 3.3Å; I67-S69 PolarHBondContact O-N 2.87Å; I67-F70 PolarHBondContact O-N 3.27Å; I67-M86 HydrophobicContact CD1-CG 3.97Å; I67-M86 HydrophobicContact CD1-SD 3.44Å; I67-M86 WeakPolarHBondContact CD1-SD 3.44Å; I67-V148 HydrophobicContact CD1-CG1 4.36Å; I67-V148 HydrophobicContact CG2-CB 3.88Å; I67-V148 HydrophobicContact CG2-CG1 3.73Å; I67-M149 HydrophobicContact CD1-CB 3.97Å; I67-L152 HydrophobicContact CD1-CD1 3.68Å |
| 68 | S | 90.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -30.7 | -177.8 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | H64 F65 F70 T71 | H64-S68 VanDerWaalsContact O-CB 3.29Å; H64-S68 WeakPolarHBondContact O-CB 3.35Å; H64-S68 PolarHBondContact O-N 3.28Å; H64-S68 PolarHBondContact O-OG 3.25Å; F65-S68 PolarHBondContact O-N 2.85Å; S68-F70 PolarHBondContact O-N 2.91Å; S68-T71 PolarHBondContact O-N 3.29Å; S68-T71 PolarHBondContact O-OG1 3.49Å |
| 69 | S | 91.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -29.9 | 179.1 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | F65 A66 I67 T71 Q72 L74 W82 | F65-S69 WeakPolarHBondContact O-CB 3.29Å; F65-S69 PolarHBondContact O-N 2.96Å; A66-S69 PolarHBondContact O-OG 3.29Å; I67-S69 VanDerWaalsContact C-N 3.3Å; I67-S69 PolarHBondContact O-N 2.87Å; S69-T71 PolarHBondContact O-N 2.97Å; S69-Q72 WeakPolarHBondContact O-CB 3.23Å; S69-Q72 PolarHBondContact O-N 3.46Å; S69-L74 WeakPolarHBondContact O-CD1 3.28Å; S69-L74 WeakPolarHBondContact O-CG 3.48Å; S69-W82 WeakPolarHBondContact OG-CB 3.49Å; S69-W82 VanDerWaalsContact OG-CD1 3.27Å |
| 70 | F | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21.5 | 178.7 | -77.4 | -67.1 | 0 | 0 | 0 | 114 | A66 I67 S68 Q72 L74 A79 W82 Y83 L152 P193 S194 L201 | A66-F70 WeakPolarHBondContact O-CD2 3.4Å; A66-F70 WeakPolarHBondContact O-CE2 3.33Å; I67-F70 PolarHBondContact O-N 3.27Å; S68-F70 PolarHBondContact O-N 2.91Å; F70-Q72 PolarHBondContact O-N 3.48Å; F70-L74 HydrophobicContact CD1-CD1 4.35Å; F70-L74 HydrophobicContact CE1-CD1 4.46Å; F70-A79 HydrophobicContact CE1-CB 4.26Å; F70-A79 VanDerWaalsContact CZ-O 3.31Å; F70-A79 WeakPolarHBondContact CZ-O 3.22Å; F70-W82 HydrophobicContact CE2-CB 4.31Å; F70-W82 HydrophobicContact CZ-CB 4.29Å; F70-Y83 HydrophobicContact CE2-CD2 4.47Å; F70-Y83 HydrophobicContact CZ-CD2 4.04Å; F70-Y83 HydrophobicContact CZ-CG 4.45Å; F70-L152 HydrophobicContact CD1-CD2 4.27Å; F70-L152 HydrophobicContact CD2-CD1 3.57Å; F70-L152 HydrophobicContact CD2-CD2 4.1Å; F70-L152 HydrophobicContact CE1-CD2 4.44Å; F70-L152 HydrophobicContact CE2-CD1 3.89Å; F70-L152 HydrophobicContact CE2-CD2 4.26Å; F70-L152 HydrophobicContact CG-CD1 4.26Å; F70-L152 HydrophobicContact CG-CD2 4.13Å; F70-L152 HydrophobicContact CZ-CD2 4.44Å; F70-P193 HydrophobicContact CB-CB 3.99Å; F70-P193 HydrophobicContact CB-CG 4.1Å; F70-P193 HydrophobicContact CD1-CB 4.46Å; F70-P193 CarbonylContact O-C 3.3Å; F70-P193 VanDerWaalsContact O-CA 3.22Å; F70-P193 WeakPolarHBondContact O-CA 3.36Å; F70-S194 PolarHBondContact O-N 3.26Å; F70-L201 HydrophobicContact CD1-CD1 4.29Å; F70-L201 HydrophobicContact CE1-CD1 3.66Å; F70-L201 HydrophobicContact CE1-CD2 4.31Å; F70-L201 HydrophobicContact CE1-CG 4.17Å; F70-L201 HydrophobicContact CZ-CD1 4.1Å |
| 71 | T | 89.7 | Confident | 91.7 | Very high | 42 Ų | 42 | 22.9 Ų | 22.9 | 26% | 0.258 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -12.9 | 175.7 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | S68 S69 A190 | S68-T71 PolarHBondContact O-N 3.29Å; S68-T71 PolarHBondContact O-OG1 3.49Å; S69-T71 PolarHBondContact O-N 2.97Å; T71-A190 WeakPolarHBondContact CG2-O 3.48Å |
| 72 | Q | 88.7 | Confident | 91.9 | Very high | 28 Ų | 28 | 19.8 Ų | 19.8 | 13% | 0.131 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -97.8 | 163.9 | 177.6 | -57 | 179.8 | 7.6 | 0 | 0 | 111.3 | S69 F70 L74 Q131 R135 F136 S194 S197 | S69-Q72 WeakPolarHBondContact O-CB 3.23Å; S69-Q72 PolarHBondContact O-N 3.46Å; F70-Q72 PolarHBondContact O-N 3.48Å; Q72-L74 HydrophobicContact CB-CD2 4.29Å; Q72-L74 PolarHBondContact O-N 2.87Å; Q72-Q131 VanDerWaalsContact OE1-CG 3.28Å; Q72-R135 PolarHBondContact NE2-O 2.93Å; Q72-F136 VanDerWaalsContact NE2-CD1 3.33Å; Q72-S194 VanDerWaalsContact O-CB 3.3Å; Q72-S194 WeakPolarHBondContact O-CB 3.47Å; Q72-S194 PolarHBondContact O-OG 3.45Å; Q72-S197 PolarHBondContact O-OG 3.09Å |
| 73 | E | 90.5 | Very high | 92 | Very high | 132 Ų | 132 | 19.8 Ų | 19.8 | 62% | 0.617 | 10% | 0.098 | S | C | * | . | trans | -79.3 | 98.4 | 168.6 | -61.5 | -164.7 | 152.2 | 0 | 0 | 109.1 | Q131 | E73-Q131 PolarHBondContact O-NE2 3.35Š| ||
| 74 | L | 92.1 | Very high | 92 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | trans | -90.9 | 146.7 | 176.6 | -55.4 | 179.1 | 0 | 0 | 0 | 109.3 | S69 F70 Q72 E78 A79 Q131 S197 H200 | S69-L74 WeakPolarHBondContact O-CD1 3.28Å; S69-L74 WeakPolarHBondContact O-CG 3.48Å; F70-L74 HydrophobicContact CD1-CD1 4.35Å; F70-L74 HydrophobicContact CE1-CD1 4.46Å; Q72-L74 HydrophobicContact CB-CD2 4.29Å; Q72-L74 PolarHBondContact O-N 2.87Å; L74-E78 HydrophobicContact CB-CB 4.3Å; L74-E78 HydrophobicContact CB-CG 4.34Å; L74-E78 HydrophobicContact CD1-CG 4.42Å; L74-E78 HydrophobicContact CD2-CG 4.06Å; L74-A79 HydrophobicContact CB-CB 4.03Å; L74-A79 HydrophobicContact CD1-CB 4.24Å; L74-Q131 HydrophobicContact CD2-CB 4.43Å; L74-Q131 HydrophobicContact CD2-CG 3.84Å; L74-S197 WeakPolarHBondContact CB-OG 3.28Å; L74-S197 PolarHBondContact N-OG 3.22Å; L74-H200 PolarHBondContact O-CD2 2.86Å; L74-H200 VanDerWaalsContact O-CD2 3.32Å; L74-H200 PolarHBondContact O-NE2 3.44Å | ||
| 75 | N | 92.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 16.7 Ų | 16.7 | 19% | 0.193 | 8% | 0.084 | C | C | . | . | trans | -66.9 | 165.5 | 163.8 | 70.8 | 62.5 | 0 | 0 | 0 | 110.3 | S77 E78 A79 V128 Q130 | N75-S77 PolarHBondContact O-N 2.88Å; N75-S77 PolarHBondContact OD1-N 2.92Å; N75-E78 PolarHBondContact O-N 3.47Å; N75-E78 WeakPolarHBondContact OD1-CB 3.44Å; N75-E78 PolarHBondContact OD1-N 2.91Å; N75-A79 WeakPolarHBondContact O-CB 3.33Å; N75-A79 PolarHBondContact O-N 3.45Å; N75-V128 PolarHBondContact ND2-O 3.1Å; N75-Q130 VanDerWaalsContact ND2-CD 3.33Å; N75-Q130 PolarHBondContact ND2-OE1 3.47Å | ||
| 76 | E | 92.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 14.8 Ų | 14.8 | 21% | 0.21 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | -173.5 | -163.2 | -177.8 | 175.1 | 0 | 0 | 113.1 | K46 E78 A79 I80 Y105 H200 | K46-E76 IonicContact NZ-OE2 2.63Å; K46-E76 PolarHBondContact NZ-OE2 3.33Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.36Å; E76-A79 PolarHBondContact O-N 2.95Å; E76-I80 HydrophobicContact CG-CD1 4.01Å; E76-I80 WeakPolarHBondContact O-CD1 3.34Å; E76-I80 VanDerWaalsContact O-CG1 3.25Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 3.37Å; E76-I80 VanDerWaalsContact O-N 3.08Å; E76-Y105 WeakPolarHBondContact CG-OH 3.48Å; E76-Y105 PolarHBondContact OE1-OH 2.96Å; E76-H200 HydrophobicContact CB-CB 4.43Å; E76-H200 HydrophobicContact CG-CB 4Å |
| 77 | S | 92.5 | Very high | 92.3 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 11% | 0.112 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | -179.4 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | R47 N75 S81 | R47-S77 WeakPolarHBondContact O-CB 3.18Å; R47-S77 PolarHBondContact O-OG 3.12Å; N75-S77 PolarHBondContact O-N 2.88Å; N75-S77 PolarHBondContact OD1-N 2.92Å; S77-S81 VanDerWaalsContact O-CB 3.3Å; S77-S81 WeakPolarHBondContact O-CB 3.29Å; S77-S81 PolarHBondContact O-N 3.42Å; S77-S81 PolarHBondContact O-OG 3.28Å |
| 78 | E | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.8 | -46.7 | 177.4 | -173.6 | 161.6 | -171.8 | 0 | 0 | 111.8 | L74 N75 E76 I80 S81 W82 V128 F129 Q130 Q131 | L74-E78 HydrophobicContact CB-CB 4.3Å; L74-E78 HydrophobicContact CB-CG 4.34Å; L74-E78 HydrophobicContact CD1-CG 4.42Å; L74-E78 HydrophobicContact CD2-CG 4.06Å; N75-E78 PolarHBondContact O-N 3.47Å; N75-E78 WeakPolarHBondContact OD1-CB 3.44Å; N75-E78 PolarHBondContact OD1-N 2.91Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-E78 PolarHBondContact O-N 3.36Å; E78-I80 VanDerWaalsContact C-N 3.29Å; E78-I80 PolarHBondContact O-N 3.36Å; E78-S81 PolarHBondContact O-N 3.11Å; E78-W82 PolarHBondContact O-N 3.3Å; E78-W82 PolarHBondContact OE1-NE1 3.22Å; E78-V128 WeakPolarHBondContact CB-O 3.25Å; E78-F129 HydrophobicContact CG-CD1 4.03Å; E78-Q130 PolarHBondContact OE2-N 3.2Å; E78-Q131 PolarHBondContact OE2-N 3.3Å |
| 79 | A | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.9 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F70 L74 N75 E76 Y83 H200 | F70-A79 HydrophobicContact CE1-CB 4.26Å; F70-A79 VanDerWaalsContact CZ-O 3.31Å; F70-A79 WeakPolarHBondContact CZ-O 3.22Å; L74-A79 HydrophobicContact CB-CB 4.03Å; L74-A79 HydrophobicContact CD1-CB 4.24Å; N75-A79 WeakPolarHBondContact O-CB 3.33Å; N75-A79 PolarHBondContact O-N 3.45Å; E76-A79 PolarHBondContact O-N 2.95Å; A79-Y83 WeakPolarHBondContact O-CB 2.99Å; A79-Y83 PolarHBondContact O-N 3.34Å; A79-H200 HydrophobicContact CB-CB 4.22Å |
| 80 | I | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.5 | -40.4 | 179.4 | -65 | 169.6 | 0 | 0 | 0 | 110.9 | A48 E76 E78 Y83 M84 Y105 F107 L204 | A48-I80 HydrophobicContact CB-CG2 3.95Å; E76-I80 HydrophobicContact CG-CD1 4.01Å; E76-I80 WeakPolarHBondContact O-CD1 3.34Å; E76-I80 VanDerWaalsContact O-CG1 3.25Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 3.37Å; E76-I80 VanDerWaalsContact O-N 3.08Å; E78-I80 VanDerWaalsContact C-N 3.29Å; E78-I80 PolarHBondContact O-N 3.36Å; I80-Y83 WeakPolarHBondContact O-CB 3.48Å; I80-Y83 PolarHBondContact O-N 2.82Å; I80-M84 HydrophobicContact CG2-CG 4.38Å; I80-M84 VanDerWaalsContact O-CG 3.31Å; I80-M84 WeakPolarHBondContact O-CG 3.44Å; I80-M84 PolarHBondContact O-N 3.16Å; I80-Y105 HydrophobicContact CD1-CD1 4.3Å; I80-Y105 HydrophobicContact CD1-CD2 4.27Å; I80-Y105 HydrophobicContact CD1-CE1 3.53Å; I80-Y105 HydrophobicContact CD1-CE2 3.52Å; I80-Y105 WeakPolarHBondContact CD1-OH 3.43Å; I80-F107 HydrophobicContact CG2-CE1 3.84Å; I80-F107 HydrophobicContact CG2-CZ 4.08Å; I80-L204 HydrophobicContact CB-CD2 4.49Å; I80-L204 HydrophobicContact CD1-CB 4.22Å; I80-L204 HydrophobicContact CD1-CD1 4.23Å; I80-L204 HydrophobicContact CD1-CD2 3.96Å; I80-L204 HydrophobicContact CD1-CG 4.36Å; I80-L204 HydrophobicContact CG1-CD2 3.83Å; I80-L204 HydrophobicContact CG2-CD2 3.94Å |
| 81 | S | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 177 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | A48 Y49 S77 E78 M84 T85 | A48-S81 WeakPolarHBondContact CA-OG 3.4Å; Y49-S81 PolarHBondContact N-OG 3.04Å; Y49-S81 CarbonylContact O-C 3.44Å; Y49-S81 WeakPolarHBondContact O-CA 3.32Å; Y49-S81 WeakPolarHBondContact O-CB 3.46Å; S77-S81 VanDerWaalsContact O-CB 3.3Å; S77-S81 WeakPolarHBondContact O-CB 3.29Å; S77-S81 PolarHBondContact O-N 3.42Å; S77-S81 PolarHBondContact O-OG 3.28Å; E78-S81 PolarHBondContact O-N 3.11Å; S81-M84 PolarHBondContact O-N 3.32Å; S81-T85 VanDerWaalsContact O-CB 3.3Å; S81-T85 WeakPolarHBondContact O-CB 3.42Å; S81-T85 PolarHBondContact O-N 3.3Å; S81-T85 PolarHBondContact O-OG1 2.9Å |
| 82 | W | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 175.4 | -77.4 | 121.9 | 0 | 0 | 0 | 112.3 | I51 F65 A66 S69 F70 E78 M84 T85 M86 M122 F129 F133 | I51-W82 HydrophobicContact CD1-CH2 4.02Å; I51-W82 HydrophobicContact CD1-CZ3 3.98Å; F65-W82 HydrophobicContact CB-CH2 4.29Å; F65-W82 HydrophobicContact CB-CZ3 4.23Å; A66-W82 HydrophobicContact CB-CB 4.44Å; A66-W82 HydrophobicContact CB-CE3 3.68Å; A66-W82 HydrophobicContact CB-CZ3 4.38Å; A66-W82 WeakPolarHBondContact CB-O 3.41Å; S69-W82 WeakPolarHBondContact OG-CB 3.49Å; S69-W82 VanDerWaalsContact OG-CD1 3.27Å; F70-W82 HydrophobicContact CE2-CB 4.31Å; F70-W82 HydrophobicContact CZ-CB 4.29Å; E78-W82 PolarHBondContact O-N 3.3Å; E78-W82 PolarHBondContact OE1-NE1 3.22Å; W82-M84 PolarHBondContact O-N 3.38Å; W82-T85 HydrophobicContact CE3-CG2 4.22Å; W82-T85 HydrophobicContact CZ3-CG2 4.24Å; W82-T85 PolarHBondContact O-N 2.91Å; W82-M86 WeakPolarHBondContact O-CB 3.42Å; W82-M86 PolarHBondContact O-N 3Å; W82-M122 HydrophobicContact CZ2-CE 4.08Å; W82-M122 HydrophobicContact CZ2-SD 4.2Å; W82-F129 HydrophobicContact CZ2-CD1 4.49Å; W82-F129 HydrophobicContact CZ2-CE1 4.4Å; W82-F129 AromaticContact NE1-CD1 3.99Å; W82-F133 AromaticContact CH2-CE2 3.69Å; W82-F133 HydrophobicContact CH2-CE2 3.69Å; W82-F133 AromaticContact CH2-CZ 3.93Å; W82-F133 HydrophobicContact CH2-CZ 3.93Å; W82-F133 AromaticContact CZ2-CE2 3.84Å; W82-F133 HydrophobicContact CZ2-CE2 3.84Å; W82-F133 HydrophobicContact CZ2-CZ 4.47Å |
| 83 | Y | 94.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.3 | -167.1 | -89.5 | 0 | 0 | 0 | 111.7 | F70 A79 I80 T85 M86 I87 L152 L201 F205 V215 | F70-Y83 HydrophobicContact CE2-CD2 4.47Å; F70-Y83 HydrophobicContact CZ-CD2 4.04Å; F70-Y83 HydrophobicContact CZ-CG 4.45Å; A79-Y83 WeakPolarHBondContact O-CB 2.99Å; A79-Y83 PolarHBondContact O-N 3.34Å; I80-Y83 WeakPolarHBondContact O-CB 3.48Å; I80-Y83 PolarHBondContact O-N 2.82Å; Y83-T85 VanDerWaalsContact C-N 3.33Å; Y83-T85 PolarHBondContact O-N 3.35Å; Y83-M86 HydrophobicContact CD2-CE 4.11Å; Y83-M86 HydrophobicContact CE1-CE 4.42Å; Y83-M86 HydrophobicContact CE2-CE 3.9Å; Y83-M86 WeakPolarHBondContact O-CB 3.25Å; Y83-M86 PolarHBondContact O-N 3.18Å; Y83-I87 HydrophobicContact CD1-CG1 3.92Å; Y83-I87 HydrophobicContact CE1-CD1 4Å; Y83-I87 HydrophobicContact CE1-CG1 3.59Å; Y83-I87 WeakPolarHBondContact O-CG1 3.48Å; Y83-I87 PolarHBondContact O-N 2.9Å; Y83-L152 HydrophobicContact CD2-CD2 4.34Å; Y83-L152 HydrophobicContact CE2-CB 3.95Å; Y83-L152 HydrophobicContact CE2-CD2 4.29Å; Y83-L152 WeakPolarHBondContact CE2-O 3.43Å; Y83-L152 PolarHBondContact OH-O 3.44Å; Y83-L201 HydrophobicContact CD2-CD1 3.58Å; Y83-L201 HydrophobicContact CD2-CD2 3.77Å; Y83-L201 HydrophobicContact CD2-CG 4.33Å; Y83-L201 HydrophobicContact CE2-CD1 3.97Å; Y83-L201 HydrophobicContact CG-CD2 3.88Å; Y83-F205 HydrophobicContact CD1-CZ 4.06Å; Y83-F205 HydrophobicContact CE1-CE1 4.39Å; Y83-F205 HydrophobicContact CE1-CE2 4.34Å; Y83-F205 AromaticContact CE1-CZ 3.51Å; Y83-F205 HydrophobicContact CE1-CZ 3.51Å; Y83-F205 HydrophobicContact CE2-CE2 4.23Å; Y83-F205 HydrophobicContact CE2-CZ 4.19Å; Y83-F205 AromaticContact CZ-CE2 3.95Å; Y83-F205 AromaticContact CZ-CZ 3.55Å; Y83-V215 HydrophobicContact CE1-CG1 4.29Å; Y83-V215 HydrophobicContact CE1-CG2 3.7Å |
| 84 | M | 92 | Very high | 88.3 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.8 | -34.3 | -178.3 | -66.4 | -51.5 | -68.3 | 0 | 0 | 112.2 | I50 I80 S81 W82 I87 N88 L99 F107 M211 Y214 | I50-M84 HydrophobicContact CD1-CB 4.26Å; I50-M84 HydrophobicContact CD1-CE 4.29Å; I50-M84 HydrophobicContact CG1-CB 3.85Å; I50-M84 HydrophobicContact CG2-CB 4.43Å; I80-M84 HydrophobicContact CG2-CG 4.38Å; I80-M84 VanDerWaalsContact O-CG 3.31Å; I80-M84 WeakPolarHBondContact O-CG 3.44Å; I80-M84 PolarHBondContact O-N 3.16Å; S81-M84 PolarHBondContact O-N 3.32Å; W82-M84 PolarHBondContact O-N 3.38Å; M84-I87 PolarHBondContact O-N 3.07Å; M84-N88 VanDerWaalsContact O-CB 3.3Å; M84-N88 WeakPolarHBondContact O-CB 3.33Å; M84-N88 PolarHBondContact O-N 3.46Å; M84-L99 HydrophobicContact CE-CD1 3.98Å; M84-F107 HydrophobicContact CG-CD1 4.37Å; M84-F107 HydrophobicContact CG-CE1 3.75Å; M84-M211 HydrophobicContact CE-CE 3.64Å; M84-M211 HydrophobicContact CG-CE 4.38Å; M84-M211 HydrophobicContact SD-CE 3.24Å; M84-M211 WeakPolarHBondContact SD-CE 3.35Å; M84-Y214 HydrophobicContact CE-CD1 3.68Å; M84-Y214 HydrophobicContact CE-CE1 3.34Å |
| 85 | T | 93.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 169.6 | -62 | 0 | 0 | 0 | 0 | 110.7 | I51 L62 S81 W82 Y83 I87 N88 T89 | I51-T85 HydrophobicContact CB-CG2 3.76Å; I51-T85 HydrophobicContact CD1-CG2 4.47Å; I51-T85 HydrophobicContact CG1-CG2 4.44Å; I51-T85 PolarHBondContact N-OG1 3.28Å; L62-T85 HydrophobicContact CB-CG2 4.23Å; L62-T85 HydrophobicContact CD2-CG2 4.39Å; S81-T85 VanDerWaalsContact O-CB 3.3Å; S81-T85 WeakPolarHBondContact O-CB 3.42Å; S81-T85 PolarHBondContact O-N 3.3Å; S81-T85 PolarHBondContact O-OG1 2.9Å; W82-T85 HydrophobicContact CE3-CG2 4.22Å; W82-T85 HydrophobicContact CZ3-CG2 4.24Å; W82-T85 PolarHBondContact O-N 2.91Å; Y83-T85 VanDerWaalsContact C-N 3.33Å; Y83-T85 PolarHBondContact O-N 3.35Å; T85-I87 PolarHBondContact O-N 2.78Å; T85-N88 PolarHBondContact O-N 3.41Å; T85-N88 VanDerWaalsContact O-N 3.15Å; T85-T89 VanDerWaalsContact O-CG2 3.27Å; T85-T89 WeakPolarHBondContact O-CG2 3.37Å; T85-T89 PolarHBondContact O-N 3.29Å |
| 86 | M | 93.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.9 | -49.3 | 175.2 | 179.1 | -157.3 | 69.2 | 0 | 0 | 111.2 | F63 A66 I67 W82 Y83 N88 T89 V90 M149 L152 | F63-M86 HydrophobicContact CD2-CG 4.16Å; F63-M86 HydrophobicContact CE2-CG 4.19Å; A66-M86 HydrophobicContact CB-CB 3.81Å; I67-M86 HydrophobicContact CD1-CG 3.97Å; I67-M86 HydrophobicContact CD1-SD 3.44Å; I67-M86 WeakPolarHBondContact CD1-SD 3.44Å; W82-M86 WeakPolarHBondContact O-CB 3.42Å; W82-M86 PolarHBondContact O-N 3Å; Y83-M86 HydrophobicContact CD2-CE 4.11Å; Y83-M86 HydrophobicContact CE1-CE 4.42Å; Y83-M86 HydrophobicContact CE2-CE 3.9Å; Y83-M86 WeakPolarHBondContact O-CB 3.25Å; Y83-M86 PolarHBondContact O-N 3.18Å; M86-N88 VanDerWaalsContact C-N 3.32Å; M86-N88 PolarHBondContact O-N 3.47Å; M86-T89 PolarHBondContact O-N 3.03Å; M86-T89 PolarHBondContact O-OG1 3.41Å; M86-V90 WeakPolarHBondContact O-CG2 3.46Å; M86-M149 HydrophobicContact CE-CG 4.25Å; M86-M149 HydrophobicContact CG-CG 4.32Å; M86-M149 HydrophobicContact SD-CB 4.3Å; M86-M149 HydrophobicContact SD-CG 3.78Å; M86-L152 HydrophobicContact CE-CB 4.17Å; M86-L152 HydrophobicContact CE-CD1 4.48Å; M86-L152 HydrophobicContact SD-CB 4.2Å; M86-L152 HydrophobicContact SD-CD1 3.61Å |
| 87 | I | 91.5 | Very high | 83.9 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.5 | -64.6 | -63.4 | 0 | 0 | 0 | 111.3 | Y83 M84 T85 T89 V90 I91 M93 Y214 V215 A218 | Y83-I87 HydrophobicContact CD1-CG1 3.92Å; Y83-I87 HydrophobicContact CE1-CD1 4Å; Y83-I87 HydrophobicContact CE1-CG1 3.59Å; Y83-I87 WeakPolarHBondContact O-CG1 3.48Å; Y83-I87 PolarHBondContact O-N 2.9Å; M84-I87 PolarHBondContact O-N 3.07Å; T85-I87 PolarHBondContact O-N 2.78Å; I87-T89 VanDerWaalsContact C-N 3.33Å; I87-T89 PolarHBondContact O-N 2.86Å; I87-V90 WeakPolarHBondContact O-CB 3.06Å; I87-V90 PolarHBondContact O-N 3.39Å; I87-V90 VanDerWaalsContact O-N 3.1Å; I87-I91 PolarHBondContact O-N 2.88Å; I87-I91 VanDerWaalsContact O-N 3.17Å; I87-M93 HydrophobicContact CG2-CG 4.37Å; I87-Y214 HydrophobicContact CG2-CE1 4.3Å; I87-V215 HydrophobicContact CD1-CG1 4.07Å; I87-A218 HydrophobicContact CG2-CB 3.55Å |
| 88 | N | 90.1 | Very high | 82.1 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.027 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.2 | -30.1 | -180 | -169.5 | 66.5 | 0 | 0 | 0 | 113.6 | I50 C52 M84 T85 M86 V90 I91 M93 | I50-N88 HydrophobicContact CG2-CB 3.74Å; C52-N88 PolarHBondContact SG-ND2 2.97Å; M84-N88 VanDerWaalsContact O-CB 3.3Å; M84-N88 WeakPolarHBondContact O-CB 3.33Å; M84-N88 PolarHBondContact O-N 3.46Å; T85-N88 PolarHBondContact O-N 3.41Å; T85-N88 VanDerWaalsContact O-N 3.15Å; M86-N88 VanDerWaalsContact C-N 3.32Å; M86-N88 PolarHBondContact O-N 3.47Å; N88-V90 PolarHBondContact O-N 3.26Å; N88-I91 CarbonylContact C-O 3.6Å; N88-I91 VanDerWaalsContact CA-O 3.28Å; N88-I91 WeakPolarHBondContact CA-O 3.43Å; N88-I91 CarbonylContact O-C 3.59Å; N88-M93 PolarHBondContact OD1-N 3.27Å |
| 89 | T | 89.6 | Confident | 80.3 | Confident | 14 Ų | 14 | 25.6 Ų | 25.6 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68 | -21.4 | 174.4 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | R59 L62 F63 T85 M86 I87 | R59-T89 WeakPolarHBondContact O-CG2 3.28Å; L62-T89 HydrophobicContact CB-CG2 3.7Å; F63-T89 HydrophobicContact CB-CG2 4.34Å; T85-T89 VanDerWaalsContact O-CG2 3.27Å; T85-T89 WeakPolarHBondContact O-CG2 3.37Å; T85-T89 PolarHBondContact O-N 3.29Å; M86-T89 PolarHBondContact O-N 3.03Å; M86-T89 PolarHBondContact O-OG1 3.41Å; I87-T89 VanDerWaalsContact C-N 3.33Å; I87-T89 PolarHBondContact O-N 2.86Å |
| 90 | V | 83.6 | Confident | 78.2 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -88.2 | -44.5 | -178.5 | 169 | 0 | 0 | 0 | 0 | 111.2 | M86 I87 N88 M149 A222 R228 L231 | M86-V90 WeakPolarHBondContact O-CG2 3.46Å; I87-V90 WeakPolarHBondContact O-CB 3.06Å; I87-V90 PolarHBondContact O-N 3.39Å; I87-V90 VanDerWaalsContact O-N 3.1Å; N88-V90 PolarHBondContact O-N 3.26Å; V90-M149 HydrophobicContact CB-CE 3.93Å; V90-M149 HydrophobicContact CG1-CE 3.93Å; V90-M149 HydrophobicContact CG2-CE 3.21Å; V90-M149 HydrophobicContact CG2-SD 3.6Å; V90-M149 VanDerWaalsContact CG2-SD 3.6Å; V90-A222 HydrophobicContact CG1-CB 3.49Å; V90-A222 VanDerWaalsContact CG1-CB 3.49Å; V90-R228 VanDerWaalsContact CB-NH1 3.32Å; V90-R228 PolarHBondContact O-NH2 3.35Å; V90-R228 VanDerWaalsContact O-NH2 3.13Å; V90-L231 HydrophobicContact CG1-CD1 3.64Å |
| 91 | I | 80.5 | Confident | 76.3 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -132.8 | 123.5 | 170.5 | -66.3 | 175.2 | 0 | 0 | 0 | 106.4 | I87 N88 M93 Y96 A218 V221 A222 | I87-I91 PolarHBondContact O-N 2.88Å; I87-I91 VanDerWaalsContact O-N 3.17Å; N88-I91 CarbonylContact C-O 3.6Å; N88-I91 VanDerWaalsContact CA-O 3.28Å; N88-I91 WeakPolarHBondContact CA-O 3.43Å; N88-I91 CarbonylContact O-C 3.59Å; I91-M93 VanDerWaalsContact C-N 3.31Å; I91-M93 HydrophobicContact CB-CG 4.46Å; I91-M93 HydrophobicContact CB-SD 3.95Å; I91-M93 HydrophobicContact CG2-CG 4.36Å; I91-M93 HydrophobicContact CG2-SD 3.63Å; I91-M93 WeakPolarHBondContact O-CG 3.44Å; I91-M93 PolarHBondContact O-N 3.47Å; I91-Y96 HydrophobicContact CG2-CE2 4.08Å; I91-A218 HydrophobicContact CD1-CB 4.49Å; I91-A218 WeakPolarHBondContact CD1-O 3.33Å; I91-V221 HydrophobicContact CD1-CB 3.4Å; I91-V221 HydrophobicContact CD1-CG1 3.44Å; I91-V221 VanDerWaalsContact CD1-CG1 3.44Å; I91-V221 HydrophobicContact CD1-CG2 4.49Å; I91-V221 HydrophobicContact CG1-CG1 4.36Å; I91-A222 HydrophobicContact CD1-CB 3.72Å; I91-A222 HydrophobicContact CG1-CB 3.95Å |
| 92 | P | 73.5 | Confident | 74.7 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 26% | 0.26 | 19% | 0.186 | S | C | . | . | trans | -62.4 | 98 | 169.4 | -14.7 | 28.3 | 0 | 0 | 0 | 108.1 | E94 | P92-E94 PolarHBondContact O-N 3.44Å; P92-E94 VanDerWaalsContact O-N 3.08Å | ||
| 93 | M | 67.5 | Low | 73.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -82.3 | 17.4 | -173.9 | -61.2 | -70.8 | -93.9 | 0 | 0 | 111.7 | I87 N88 I91 Q95 Y96 R109 Y214 A218 | I87-M93 HydrophobicContact CG2-CG 4.37Å; N88-M93 PolarHBondContact OD1-N 3.27Å; I91-M93 VanDerWaalsContact C-N 3.31Å; I91-M93 HydrophobicContact CB-CG 4.46Å; I91-M93 HydrophobicContact CB-SD 3.95Å; I91-M93 HydrophobicContact CG2-CG 4.36Å; I91-M93 HydrophobicContact CG2-SD 3.63Å; I91-M93 WeakPolarHBondContact O-CG 3.44Å; I91-M93 PolarHBondContact O-N 3.47Å; M93-Q95 PolarHBondContact O-N 3.2Å; M93-Y96 HydrophobicContact CB-CD2 4.16Å; M93-Y96 HydrophobicContact CE-CD2 3.94Å; M93-Y96 HydrophobicContact CE-CE2 4.43Å; M93-Y96 HydrophobicContact CE-CG 4.39Å; M93-Y96 HydrophobicContact CG-CD2 4.4Å; M93-Y96 PolarHBondContact O-N 3.17Å; M93-Y96 VanDerWaalsContact O-N 3.16Å; M93-Y96 HydrophobicContact SD-CD2 3.4Å; M93-Y96 WeakPolarHBondContact SD-CD2 3.14Å; M93-Y96 HydrophobicContact SD-CE2 3.64Å; M93-Y96 HydrophobicContact SD-CG 4.37Å; M93-R109 PolarHBondContact O-NH2 3.05Å; M93-R109 VanDerWaalsContact O-NH2 3.07Å; M93-Y214 HydrophobicContact CB-CE1 4.24Å; M93-Y214 HydrophobicContact CB-CE2 4.37Å; M93-Y214 WeakPolarHBondContact CB-OH 3.34Å; M93-Y214 HydrophobicContact CE-CD1 3.63Å; M93-Y214 HydrophobicContact CE-CD2 3.95Å; M93-Y214 HydrophobicContact CE-CE1 3.33Å; M93-Y214 HydrophobicContact CE-CE2 3.69Å; M93-Y214 HydrophobicContact CE-CG 3.97Å; M93-Y214 VanDerWaalsContact CE-CZ 3.42Å; M93-Y214 HydrophobicContact CG-CE1 3.86Å; M93-Y214 WeakPolarHBondContact CG-OH 3.44Å; M93-Y214 HydrophobicContact SD-CE1 4.45Å; M93-A218 HydrophobicContact CE-CB 3.55Å; M93-A218 HydrophobicContact SD-CB 3.93Å |
| 94 | E | 66.2 | Low | 72 | Confident | 85 Ų | 85 | 37.7 Ų | 37.7 | 40% | 0.397 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -58.3 | -24.6 | 169.9 | -63.9 | 140.8 | -170.9 | 0 | 0 | 111.2 | P92 | P92-E94 PolarHBondContact O-N 3.44Å; P92-E94 VanDerWaalsContact O-N 3.08Å |
| 95 | Q | 62.7 | Low | 71.4 | Confident | 107 Ų | 107 | 37.9 Ų | 37.9 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -85.1 | -9.1 | -179.8 | -64 | 163.5 | 14.1 | 0 | 0 | 113.7 | M1 M93 | M1-Q95 HydrophobicContact CE-CG 4.09Å; M1-Q95 PolarHBondContact SD-OE1 3.18Å; M93-Q95 PolarHBondContact O-N 3.2Å |
| 96 | Y | 63.3 | Low | 70.9 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -103.8 | 137.2 | 176.1 | -62 | -79.3 | 0 | 0 | 0 | 109.3 | L10 I91 M93 I98 V217 V221 | L10-Y96 HydrophobicContact CD1-CD1 3.48Å; L10-Y96 VanDerWaalsContact CD1-CD1 3.48Å; L10-Y96 HydrophobicContact CD1-CE1 4.24Å; L10-Y96 HydrophobicContact CD1-CG 4.13Å; I91-Y96 HydrophobicContact CG2-CE2 4.08Å; M93-Y96 HydrophobicContact CB-CD2 4.16Å; M93-Y96 HydrophobicContact CE-CD2 3.94Å; M93-Y96 HydrophobicContact CE-CE2 4.43Å; M93-Y96 HydrophobicContact CE-CG 4.39Å; M93-Y96 HydrophobicContact CG-CD2 4.4Å; M93-Y96 PolarHBondContact O-N 3.17Å; M93-Y96 VanDerWaalsContact O-N 3.16Å; M93-Y96 HydrophobicContact SD-CD2 3.4Å; M93-Y96 WeakPolarHBondContact SD-CD2 3.14Å; M93-Y96 HydrophobicContact SD-CE2 3.64Å; M93-Y96 HydrophobicContact SD-CG 4.37Å; Y96-I98 PolarHBondContact O-N 3.05Å; Y96-V217 HydrophobicContact CE1-CG1 3.99Å; Y96-V221 WeakPolarHBondContact OH-CG2 3.4Å |
| 97 | P | 57.9 | Low | 70.5 | Confident | 102 Ų | 102 | 40.5 Ų | 40.5 | 66% | 0.662 | 24% | 0.238 | S | C | * | . | P | Polyproline II helix | trans | -52.4 | 134 | -175.3 | 17.3 | -28.6 | 0 | 0 | 0 | 110.8 | ||
| 98 | I | 54.7 | Low | 70.3 | Confident | 112 Ų | 112 | 42.5 Ų | 42.5 | 57% | 0.574 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 137.1 | -173.2 | -46.8 | -167.2 | 0 | 0 | 0 | 109.4 | Y96 G100 | Y96-I98 PolarHBondContact O-N 3.05Å; I98-G100 PolarHBondContact O-N 3.32Å |
| 99 | L | 57.7 | Low | 70.2 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | trans | -65.2 | 68.2 | 163.1 | -67.9 | 156.6 | 0 | 0 | 0 | 108.5 | M84 S101 E102 F107 T210 M211 Y214 | M84-L99 HydrophobicContact CE-CD1 3.98Å; L99-S101 PolarHBondContact O-N 2.88Å; L99-S101 VanDerWaalsContact O-N 3.13Å; L99-E102 HydrophobicContact CD2-CG 3.96Å; L99-F107 HydrophobicContact CB-CB 4.27Å; L99-F107 HydrophobicContact CB-CD2 3.54Å; L99-F107 HydrophobicContact CB-CE2 4.19Å; L99-F107 HydrophobicContact CB-CG 4.11Å; L99-F107 HydrophobicContact CD1-CD2 3.93Å; L99-F107 HydrophobicContact CD1-CE2 4Å; L99-F107 HydrophobicContact CD1-CG 4.22Å; L99-F107 HydrophobicContact CD1-CZ 4.36Å; L99-F107 HydrophobicContact CG-CD2 4.32Å; L99-T210 HydrophobicContact CD2-CG2 3.72Å; L99-M211 HydrophobicContact CD1-CE 4.21Å; L99-M211 HydrophobicContact CD1-SD 3.61Å; L99-M211 HydrophobicContact CD2-SD 3.95Å; L99-M211 HydrophobicContact CG-SD 4.44Å; L99-Y214 HydrophobicContact CD1-CD2 4.44Å; L99-Y214 HydrophobicContact CD1-CE2 4.45Å | ||
| 100 | G | 48.5 | Very low | 70.2 | Confident | 62 Ų | 62 | 46 Ų | 46 | 64% | 0.639 | 27% | 0.266 | S | S | * | . | trans | -60 | -27.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I98 | I98-G100 PolarHBondContact O-N 3.32Š| ||
| 101 | S | 52.6 | Low | 70.6 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | trans | -167.9 | 142 | 147.6 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | K45 L99 | K45-S101 PolarHBondContact NZ-OG 2.88Å; L99-S101 PolarHBondContact O-N 2.88Å; L99-S101 VanDerWaalsContact O-N 3.13Å | ||
| 102 | E | 61.5 | Low | 71.3 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | trans | -90.2 | 167.4 | 163.3 | -81.3 | -96.2 | -173.8 | 0 | 0 | 109.1 | K45 L99 C104 Y105 F107 S208 T210 M211 | K45-E102 WeakPolarHBondContact CE-O 3.18Å; L99-E102 HydrophobicContact CD2-CG 3.96Å; E102-C104 PolarHBondContact O-N 2.7Å; E102-Y105 PolarHBondContact N-O 3.16Å; E102-Y105 PolarHBondContact O-N 3.11Å; E102-F107 HydrophobicContact CB-CE2 4.28Å; E102-F107 HydrophobicContact CG-CE2 3.98Å; E102-S208 PolarHBondContact OE1-OG 2.84Å; E102-S208 VanDerWaalsContact OE2-CB 3.27Å; E102-S208 WeakPolarHBondContact OE2-CB 3.41Å; E102-S208 PolarHBondContact OE2-OG 2.64Å; E102-T210 WeakPolarHBondContact OE1-CB 3.21Å; E102-T210 WeakPolarHBondContact OE1-CG2 3.45Å; E102-M211 HydrophobicContact CG-CG 4.29Å; E102-M211 HydrophobicContact CG-SD 4.23Å; E102-M211 WeakPolarHBondContact OE1-CG 2.98Å; E102-M211 PolarHBondContact OE1-N 2.9Å | ||
| 103 | I | 60 | Low | 72.2 | Confident | 82 Ų | 82 | 54 Ų | 54 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -51.4 | -33.3 | 179.5 | -61.9 | 173.4 | 0 | 0 | 0 | 110.9 | ||
| 104 | C | 71.5 | Confident | 73.4 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -115.2 | -15.1 | -175 | -52.2 | 0 | 0 | 0 | 0 | 115.1 | K46 E102 | K46-C104 PolarHBondContact N-O 3.08Å; E102-C104 PolarHBondContact O-N 2.7Å |
| 105 | Y | 78.8 | Confident | 74.5 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.8 | -167.8 | -69.7 | -81.6 | 0 | 0 | 0 | 114.2 | K46 A48 E76 I80 E102 F107 L204 | K46-Y105 HydrophobicContact CB-CD1 3.77Å; K46-Y105 HydrophobicContact CB-CE1 3.46Å; K46-Y105 VanDerWaalsContact CB-CE1 3.46Å; K46-Y105 HydrophobicContact CD-CE1 4.22Å; K46-Y105 HydrophobicContact CG-CE1 4.42Å; K46-Y105 CarbonylContact O-C 3.55Å; K46-Y105 VanDerWaalsContact O-CA 3.28Å; K46-Y105 WeakPolarHBondContact O-CA 3.46Å; A48-Y105 HydrophobicContact CB-CD1 4.12Å; E76-Y105 WeakPolarHBondContact CG-OH 3.48Å; E76-Y105 PolarHBondContact OE1-OH 2.96Å; I80-Y105 HydrophobicContact CD1-CD1 4.3Å; I80-Y105 HydrophobicContact CD1-CD2 4.27Å; I80-Y105 HydrophobicContact CD1-CE1 3.53Å; I80-Y105 HydrophobicContact CD1-CE2 3.52Å; I80-Y105 WeakPolarHBondContact CD1-OH 3.43Å; E102-Y105 PolarHBondContact N-O 3.16Å; E102-Y105 PolarHBondContact O-N 3.11Å; Y105-F107 HydrophobicContact CG-CZ 4.39Å; Y105-L204 HydrophobicContact CD2-CD1 3.74Å; Y105-L204 HydrophobicContact CE2-CD1 3.71Å |
| 106 | S | 83.8 | Confident | 75.9 | Confident | 40 Ų | 40 | 56 Ų | 56 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119 | 161.9 | 173.6 | 0 | 0 | 0 | 0 | 108.8 | K46 A48 | K46-S106 PolarHBondContact O-N 3.04Å; A48-S106 PolarHBondContact N-O 2.52Å |
| 107 | F | 84.8 | Confident | 77.3 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 125.1 | 178.3 | -70.2 | -84.2 | 0 | 0 | 0 | 111 | A48 I50 I80 M84 L99 E102 Y105 M211 | A48-F107 HydrophobicContact CB-CD1 3.78Å; A48-F107 HydrophobicContact CB-CE1 3.66Å; A48-F107 HydrophobicContact CB-CZ 4.45Å; A48-F107 WeakPolarHBondContact O-CA 3.05Å; I50-F107 HydrophobicContact CD1-CB 4.27Å; I50-F107 HydrophobicContact CD1-CD1 4.08Å; I50-F107 HydrophobicContact CD1-CG 4.47Å; I50-F107 HydrophobicContact CG1-CD1 4.08Å; I80-F107 HydrophobicContact CG2-CE1 3.84Å; I80-F107 HydrophobicContact CG2-CZ 4.08Å; M84-F107 HydrophobicContact CG-CD1 4.37Å; M84-F107 HydrophobicContact CG-CE1 3.75Å; L99-F107 HydrophobicContact CB-CB 4.27Å; L99-F107 HydrophobicContact CB-CD2 3.54Å; L99-F107 HydrophobicContact CB-CE2 4.19Å; L99-F107 HydrophobicContact CB-CG 4.11Å; L99-F107 HydrophobicContact CD1-CD2 3.93Å; L99-F107 HydrophobicContact CD1-CE2 4Å; L99-F107 HydrophobicContact CD1-CG 4.22Å; L99-F107 HydrophobicContact CD1-CZ 4.36Å; L99-F107 HydrophobicContact CG-CD2 4.32Å; E102-F107 HydrophobicContact CB-CE2 4.28Å; E102-F107 HydrophobicContact CG-CE2 3.98Å; Y105-F107 HydrophobicContact CG-CZ 4.39Å; F107-M211 HydrophobicContact CE2-SD 3.92Å; F107-M211 HydrophobicContact CZ-CE 4.41Å; F107-M211 HydrophobicContact CZ-SD 3.72Å |
| 108 | S | 86.9 | Confident | 78.9 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.6 | 174.1 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | A48 Y49 I50 | A48-S108 PolarHBondContact O-N 2.88Å; Y49-S108 CarbonylContact C-O 3.39Å; Y49-S108 WeakPolarHBondContact CA-O 3.47Å; I50-S108 PolarHBondContact N-O 3.43Å |
| 109 | R | 87.9 | Confident | 80.6 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.6 | 173.8 | -68.8 | -171.2 | -178.1 | 87.4 | -9.6 | 109.5 | I50 M93 F111 | I50-R109 HydrophobicContact CB-CG 4.25Å; I50-R109 WeakPolarHBondContact O-CA 3.39Å; M93-R109 PolarHBondContact O-NH2 3.05Å; M93-R109 VanDerWaalsContact O-NH2 3.07Å; R109-F111 HydrophobicContact CB-CE2 4.3Å |
| 110 | L | 90.8 | Very high | 82.2 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.6 | 176.5 | -63.5 | 179.6 | 0 | 0 | 0 | 109.2 | Y49 I50 I51 C52 M121 | Y49-L110 HydrophobicContact CD1-CD1 3.34Å; Y49-L110 HydrophobicContact CD1-CD2 4.42Å; Y49-L110 HydrophobicContact CD1-CG 3.77Å; Y49-L110 HydrophobicContact CD2-CD1 4.5Å; Y49-L110 HydrophobicContact CE1-CD1 3.91Å; Y49-L110 HydrophobicContact CE1-CG 4.44Å; Y49-L110 HydrophobicContact CG-CD1 3.69Å; Y49-L110 HydrophobicContact CG-CG 4.4Å; I50-L110 PolarHBondContact O-N 3.38Å; I51-L110 CarbonylContact C-O 3.15Å; I51-L110 WeakPolarHBondContact CA-O 3.3Å; C52-L110 PolarHBondContact N-O 3.19Å; L110-M121 HydrophobicContact CB-CG 4.39Å; L110-M121 HydrophobicContact CD1-CG 3.52Å; L110-M121 HydrophobicContact CD1-SD 3.45Å; L110-M121 WeakPolarHBondContact CD1-SD 3.44Å |
| 111 | F | 91.9 | Very high | 84.3 | Confident | 139 Ų | 139 | 55.2 Ų | 55.2 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.3 | -178.6 | -68.5 | -90.1 | 0 | 0 | 0 | 110.5 | C52 R109 | C52-F111 HydrophobicContact CB-CD1 3.6Å; C52-F111 HydrophobicContact CB-CE1 3.57Å; C52-F111 HydrophobicContact CB-CG 4.22Å; C52-F111 HydrophobicContact CB-CZ 4.17Å; C52-F111 WeakPolarHBondContact O-CA 3.39Å; R109-F111 HydrophobicContact CB-CE2 4.3Å |
| 112 | V | 93.7 | Very high | 86.1 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | trans | -123.8 | 137.1 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | I51 C52 S53 M58 L62 D117 L118 | I51-V112 HydrophobicContact CG2-CB 4.44Å; I51-V112 HydrophobicContact CG2-CG1 4.01Å; I51-V112 HydrophobicContact CG2-CG2 3.54Å; C52-V112 PolarHBondContact O-N 2.87Å; S53-V112 VanDerWaalsContact CB-O 3.23Å; S53-V112 WeakPolarHBondContact CB-O 3.48Å; S53-V112 PolarHBondContact OG-O 2.91Å; M58-V112 HydrophobicContact CE-CG2 3.89Å; M58-V112 HydrophobicContact CG-CG2 4.29Å; L62-V112 HydrophobicContact CD1-CG2 4.03Å; L62-V112 HydrophobicContact CD2-CG2 4.44Å; V112-D117 HydrophobicContact CB-CB 4.03Å; V112-D117 HydrophobicContact CG1-CB 4.22Å; V112-L118 HydrophobicContact CG1-CB 4.35Å; V112-L118 HydrophobicContact CG1-CD1 4.49Å | ||
| 113 | S | 92.7 | Very high | 87.5 | Confident | 86 Ų | 86 | 55.8 Ų | 55.8 | 60% | 0.601 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -106.1 | -24.4 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | D117 | S113-D117 WeakPolarHBondContact CA-OD2 3.44Å; S113-D117 WeakPolarHBondContact CB-OD2 3.29Å; S113-D117 PolarHBondContact N-OD2 2.91Å |
| 114 | S | 92.9 | Very high | 89 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -137.3 | 171.2 | -177.4 | 68.3 | 0 | 0 | 0 | 0 | 112.4 | M58 D116 D117 L118 | M58-S114 WeakPolarHBondContact CE-O 3.14Å; S114-D116 VanDerWaalsContact C-N 3.29Å; S114-D116 PolarHBondContact OG-N 2.82Å; S114-D117 PolarHBondContact N-OD2 2.84Å; S114-D117 PolarHBondContact OG-N 3.03Å; S114-D117 VanDerWaalsContact OG-N 3.09Å; S114-D117 PolarHBondContact OG-OD1 3.04Å; S114-D117 PolarHBondContact OG-OD2 2.78Å; S114-L118 PolarHBondContact O-N 3.01Å |
| 115 | L | 90.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | 171.4 | -173.4 | 65.7 | 0 | 0 | 0 | 111.4 | F65 L118 M119 F133 | F65-L115 HydrophobicContact CE2-CD1 4.37Å; L115-L118 HydrophobicContact CD1-CD2 4.33Å; L115-L118 WeakPolarHBondContact O-CB 3.44Å; L115-L118 PolarHBondContact O-N 2.94Å; L115-M119 HydrophobicContact CG-SD 4.5Å; L115-M119 WeakPolarHBondContact O-CG 3.09Å; L115-M119 PolarHBondContact O-N 3.5Å; L115-F133 HydrophobicContact CD1-CD1 4.21Å; L115-F133 HydrophobicContact CD1-CE1 3.9Å |
| 116 | D | 91.2 | Very high | 90.4 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 64% | 0.642 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 178 | -62.2 | -33.4 | 0 | 0 | 0 | 111.4 | S114 L118 M119 K120 | S114-D116 VanDerWaalsContact C-N 3.29Å; S114-D116 PolarHBondContact OG-N 2.82Å; D116-L118 VanDerWaalsContact C-N 3.29Å; D116-L118 PolarHBondContact O-N 3.13Å; D116-M119 PolarHBondContact O-N 2.92Å; D116-K120 WeakPolarHBondContact O-CB 3.33Å; D116-K120 PolarHBondContact O-N 3.02Å |
| 117 | D | 92.7 | Very high | 90.6 | Very high | 66 Ų | 66 | 62.9 Ų | 62.9 | 35% | 0.353 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 173.4 | -62.6 | -30.6 | 0 | 0 | 0 | 111 | V112 S113 S114 K120 M121 | V112-D117 HydrophobicContact CB-CB 4.03Å; V112-D117 HydrophobicContact CG1-CB 4.22Å; S113-D117 WeakPolarHBondContact CA-OD2 3.44Å; S113-D117 WeakPolarHBondContact CB-OD2 3.29Å; S113-D117 PolarHBondContact N-OD2 2.91Å; S114-D117 PolarHBondContact N-OD2 2.84Å; S114-D117 PolarHBondContact OG-N 3.03Å; S114-D117 VanDerWaalsContact OG-N 3.09Å; S114-D117 PolarHBondContact OG-OD1 3.04Å; S114-D117 PolarHBondContact OG-OD2 2.78Å; D117-K120 PolarHBondContact O-N 3.35Å; D117-M121 WeakPolarHBondContact O-CB 3.26Å; D117-M121 PolarHBondContact O-N 2.97Å |
| 118 | L | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 178.5 | 177.4 | 61.5 | 0 | 0 | 0 | 111.4 | I51 M58 L62 V112 S114 L115 D116 M121 M122 F133 | I51-L118 HydrophobicContact CD1-CD1 3.78Å; I51-L118 HydrophobicContact CG2-CD1 4.12Å; M58-L118 HydrophobicContact CE-CB 3.91Å; M58-L118 HydrophobicContact CE-CD2 3.71Å; M58-L118 HydrophobicContact CE-CG 4.42Å; L62-L118 HydrophobicContact CD2-CD1 4.23Å; L62-L118 HydrophobicContact CD2-CD2 3.78Å; V112-L118 HydrophobicContact CG1-CB 4.35Å; V112-L118 HydrophobicContact CG1-CD1 4.49Å; S114-L118 PolarHBondContact O-N 3.01Å; L115-L118 HydrophobicContact CD1-CD2 4.33Å; L115-L118 WeakPolarHBondContact O-CB 3.44Å; L115-L118 PolarHBondContact O-N 2.94Å; D116-L118 VanDerWaalsContact C-N 3.29Å; D116-L118 PolarHBondContact O-N 3.13Å; L118-M121 HydrophobicContact CD1-CE 3.58Å; L118-M121 PolarHBondContact O-N 3.05Å; L118-M122 HydrophobicContact CD1-CG 4.35Å; L118-M122 HydrophobicContact CD1-SD 4.31Å; L118-M122 HydrophobicContact CG-SD 4.31Å; L118-M122 WeakPolarHBondContact O-CG 3.33Å; L118-M122 PolarHBondContact O-N 3.15Å; L118-F133 HydrophobicContact CD2-CE1 3.96Å; L118-F133 HydrophobicContact CD2-CE2 3.77Å; L118-F133 HydrophobicContact CD2-CZ 3.29Å; L118-F133 HydrophobicContact CG-CE2 4.23Å; L118-F133 HydrophobicContact CG-CZ 4.21Å |
| 119 | M | 89.7 | Confident | 91.1 | Very high | 81 Ų | 81 | 60.2 Ų | 60.2 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 177.4 | -72.9 | -178.1 | 61.4 | 0 | 0 | 111.6 | L115 D116 M121 M122 A123 | L115-M119 HydrophobicContact CG-SD 4.5Å; L115-M119 WeakPolarHBondContact O-CG 3.09Å; L115-M119 PolarHBondContact O-N 3.5Å; D116-M119 PolarHBondContact O-N 2.92Å; M119-M121 VanDerWaalsContact C-N 3.31Å; M119-M121 PolarHBondContact O-N 2.73Å; M119-M122 PolarHBondContact O-N 3.02Å; M119-A123 WeakPolarHBondContact O-CB 3.23Å; M119-A123 PolarHBondContact O-N 2.92Å |
| 120 | K | 91.5 | Very high | 90.9 | Very high | 145 Ų | 145 | 63 Ų | 63 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 176.7 | -173.3 | 175.9 | -179 | 178.9 | 0 | 111.4 | D116 D117 A123 N124 | D116-K120 WeakPolarHBondContact O-CB 3.33Å; D116-K120 PolarHBondContact O-N 3.02Å; D117-K120 PolarHBondContact O-N 3.35Å; K120-A123 PolarHBondContact O-N 2.5Å; K120-N124 WeakPolarHBondContact O-CB 3.44Å; K120-N124 PolarHBondContact O-N 3.48Å; K120-N124 PolarHBondContact O-ND2 3.41Å |
| 121 | M | 92.4 | Very high | 90.3 | Very high | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 176.2 | -178.1 | -76 | -62.5 | 0 | 0 | 111.4 | I51 L110 D117 L118 M119 A123 N124 H125 F129 | I51-M121 HydrophobicContact CD1-CE 3.52Å; I51-M121 HydrophobicContact CG1-CE 3.84Å; L110-M121 HydrophobicContact CB-CG 4.39Å; L110-M121 HydrophobicContact CD1-CG 3.52Å; L110-M121 HydrophobicContact CD1-SD 3.45Å; L110-M121 WeakPolarHBondContact CD1-SD 3.44Å; D117-M121 WeakPolarHBondContact O-CB 3.26Å; D117-M121 PolarHBondContact O-N 2.97Å; L118-M121 HydrophobicContact CD1-CE 3.58Å; L118-M121 PolarHBondContact O-N 3.05Å; M119-M121 VanDerWaalsContact C-N 3.31Å; M119-M121 PolarHBondContact O-N 2.73Å; M121-A123 VanDerWaalsContact C-N 3.32Å; M121-A123 PolarHBondContact O-N 2.93Å; M121-N124 PolarHBondContact O-N 3.36Å; M121-N124 VanDerWaalsContact O-N 3.1Å; M121-H125 PolarHBondContact O-CD2 3.4Å; M121-H125 PolarHBondContact O-N 3.02Å; M121-F129 HydrophobicContact CE-CD2 4.47Å; M121-F129 HydrophobicContact CE-CE2 3.91Å; M121-F129 HydrophobicContact CE-CZ 4.21Å; M121-F129 HydrophobicContact SD-CD2 4.16Å; M121-F129 HydrophobicContact SD-CE2 3.67Å; M121-F129 HydrophobicContact SD-CZ 4.48Å |
| 122 | M | 91.4 | Very high | 89 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.069 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 179.1 | -69.3 | 177.2 | 71.8 | 0 | 0 | 111.7 | W82 L118 M119 N124 H125 M126 F129 Q131 F133 | W82-M122 HydrophobicContact CZ2-CE 4.08Å; W82-M122 HydrophobicContact CZ2-SD 4.2Å; L118-M122 HydrophobicContact CD1-CG 4.35Å; L118-M122 HydrophobicContact CD1-SD 4.31Å; L118-M122 HydrophobicContact CG-SD 4.31Å; L118-M122 WeakPolarHBondContact O-CG 3.33Å; L118-M122 PolarHBondContact O-N 3.15Å; M119-M122 PolarHBondContact O-N 3.02Å; M122-N124 PolarHBondContact O-N 2.83Å; M122-H125 CarbonylContact O-C 3.33Å; M122-H125 VanDerWaalsContact O-C 3.3Å; M122-H125 PolarHBondContact O-N 2.71Å; M122-M126 PolarHBondContact O-N 3.03Å; M122-F129 HydrophobicContact CB-CB 4.1Å; M122-F129 HydrophobicContact CB-CG 4.4Å; M122-F129 HydrophobicContact CE-CB 3.85Å; M122-F129 HydrophobicContact CE-CD1 4.13Å; M122-F129 HydrophobicContact CE-CG 4.18Å; M122-F129 HydrophobicContact CG-CB 4.15Å; M122-F129 HydrophobicContact CG-CD1 4.42Å; M122-F129 HydrophobicContact CG-CD2 4.18Å; M122-F129 HydrophobicContact CG-CG 4Å; M122-Q131 WeakPolarHBondContact CE-O 3.5Å; M122-F133 HydrophobicContact CE-CD2 3.86Å; M122-F133 HydrophobicContact CE-CE2 4.06Å; M122-F133 HydrophobicContact SD-CD2 3.4Å; M122-F133 WeakPolarHBondContact SD-CD2 3.4Å; M122-F133 HydrophobicContact SD-CE2 3.35Å; M122-F133 WeakPolarHBondContact SD-CE2 3.2Å |
| 123 | A | 89.6 | Confident | 87.6 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.3 | -30.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M119 K120 M121 H125 M126 | M119-A123 WeakPolarHBondContact O-CB 3.23Å; M119-A123 PolarHBondContact O-N 2.92Å; K120-A123 PolarHBondContact O-N 2.5Å; M121-A123 VanDerWaalsContact C-N 3.32Å; M121-A123 PolarHBondContact O-N 2.93Å; A123-H125 VanDerWaalsContact C-N 3.3Å; A123-M126 WeakPolarHBondContact O-CG 3.3Å |
| 124 | N | 91.6 | Very high | 86 | Confident | 110 Ų | 110 | 64.4 Ų | 64.4 | 59% | 0.588 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -79.9 | -11.9 | 175.4 | -68.6 | -18.6 | 0 | 0 | 0 | 113.5 | K120 M121 M122 | K120-N124 WeakPolarHBondContact O-CB 3.44Å; K120-N124 PolarHBondContact O-N 3.48Å; K120-N124 PolarHBondContact O-ND2 3.41Å; M121-N124 PolarHBondContact O-N 3.36Å; M121-N124 VanDerWaalsContact O-N 3.1Å; M122-N124 PolarHBondContact O-N 2.83Å |
| 125 | H | 91.8 | Very high | 84.5 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 43.9 | -174.2 | -64.8 | -57.3 | 0 | 0 | 0 | 111.6 | Y49 M121 M122 A123 D127 V128 F129 | Y49-H125 HydrophobicContact CE2-CB 3.94Å; Y49-H125 AromaticContact CE2-CG 3.84Å; Y49-H125 AromaticContact CE2-ND1 3.96Å; Y49-H125 AromaticContact CZ-CE1 3.83Å; Y49-H125 AromaticContact CZ-CG 3.87Å; Y49-H125 AromaticContact CZ-ND1 3.58Å; Y49-H125 PolarHBondContact OH-CE1 3.04Å; Y49-H125 PolarHBondContact OH-ND1 3.22Å; Y49-H125 VanDerWaalsContact OH-ND1 3.12Å; M121-H125 PolarHBondContact O-CD2 3.4Å; M121-H125 PolarHBondContact O-N 3.02Å; M122-H125 CarbonylContact O-C 3.33Å; M122-H125 VanDerWaalsContact O-C 3.3Å; M122-H125 PolarHBondContact O-N 2.71Å; A123-H125 VanDerWaalsContact C-N 3.3Å; H125-D127 VanDerWaalsContact C-OD1 3.28Å; H125-D127 WeakPolarHBondContact CA-OD1 3.37Å; H125-D127 PolarHBondContact O-N 3.46Å; H125-D127 VanDerWaalsContact O-N 3.14Å; H125-V128 PolarHBondContact O-N 2.81Å; H125-F129 HydrophobicContact CB-CD2 3.99Å; H125-F129 HydrophobicContact CB-CE2 4.43Å; H125-F129 PolarHBondContact O-N 3.16Å |
| 126 | M | 89.4 | Confident | 83.2 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.4 | 177.6 | -66.3 | -66.6 | -61.4 | 0 | 0 | 113.4 | M122 A123 V128 | M122-M126 PolarHBondContact O-N 3.03Å; A123-M126 WeakPolarHBondContact O-CG 3.3Å; M126-V128 PolarHBondContact O-N 3Å |
| 127 | D | 87 | Confident | 81.5 | Confident | 82 Ų | 82 | 65 Ų | 65 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.9 | 170.2 | 64.4 | -48.5 | 0 | 0 | 0 | 112.5 | R47 H125 | R47-D127 IonicContact CZ-OD2 3.61Å; R47-D127 IonicContact NH1-OD2 3.75Å; R47-D127 IonicContact NH2-OD2 3.74Å; H125-D127 VanDerWaalsContact C-OD1 3.28Å; H125-D127 WeakPolarHBondContact CA-OD1 3.37Å; H125-D127 PolarHBondContact O-N 3.46Å; H125-D127 VanDerWaalsContact O-N 3.14Å |
| 128 | V | 91 | Very high | 79.7 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -57.1 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | R47 Y49 N75 E78 H125 M126 Q130 | R47-V128 HydrophobicContact CB-CG2 4.35Å; Y49-V128 HydrophobicContact CD2-CB 4.13Å; Y49-V128 HydrophobicContact CD2-CG1 4.11Å; Y49-V128 HydrophobicContact CD2-CG2 4.04Å; Y49-V128 HydrophobicContact CE2-CB 4.03Å; Y49-V128 HydrophobicContact CE2-CG1 4.49Å; Y49-V128 HydrophobicContact CE2-CG2 3.62Å; N75-V128 PolarHBondContact ND2-O 3.1Å; E78-V128 WeakPolarHBondContact CB-O 3.25Å; H125-V128 PolarHBondContact O-N 2.81Å; M126-V128 PolarHBondContact O-N 3Å; V128-Q130 PolarHBondContact O-N 2.87Å |
| 129 | F | 91 | Very high | 78.4 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.009 | 38% | 0.381 | C | S | . | . | trans | -91.4 | 96.8 | -172 | -61.5 | -73.8 | 0 | 0 | 0 | 111.5 | Y49 I51 E78 W82 M121 M122 H125 | Y49-F129 AromaticContact CD2-CE2 3.65Å; Y49-F129 HydrophobicContact CD2-CE2 3.65Å; Y49-F129 HydrophobicContact CD2-CZ 4.23Å; Y49-F129 HydrophobicContact CE2-CE2 4.48Å; Y49-F129 HydrophobicContact CG-CE2 4.25Å; I51-F129 HydrophobicContact CD1-CE1 4.38Å; I51-F129 HydrophobicContact CD1-CZ 4.06Å; E78-F129 HydrophobicContact CG-CD1 4.03Å; W82-F129 HydrophobicContact CZ2-CD1 4.49Å; W82-F129 HydrophobicContact CZ2-CE1 4.4Å; W82-F129 AromaticContact NE1-CD1 3.99Å; M121-F129 HydrophobicContact CE-CD2 4.47Å; M121-F129 HydrophobicContact CE-CE2 3.91Å; M121-F129 HydrophobicContact CE-CZ 4.21Å; M121-F129 HydrophobicContact SD-CD2 4.16Å; M121-F129 HydrophobicContact SD-CE2 3.67Å; M121-F129 HydrophobicContact SD-CZ 4.48Å; M122-F129 HydrophobicContact CB-CB 4.1Å; M122-F129 HydrophobicContact CB-CG 4.4Å; M122-F129 HydrophobicContact CE-CB 3.85Å; M122-F129 HydrophobicContact CE-CD1 4.13Å; M122-F129 HydrophobicContact CE-CG 4.18Å; M122-F129 HydrophobicContact CG-CB 4.15Å; M122-F129 HydrophobicContact CG-CD1 4.42Å; M122-F129 HydrophobicContact CG-CD2 4.18Å; M122-F129 HydrophobicContact CG-CG 4Å; H125-F129 HydrophobicContact CB-CD2 3.99Å; H125-F129 HydrophobicContact CB-CE2 4.43Å; H125-F129 PolarHBondContact O-N 3.16Å | ||
| 130 | Q | 85.1 | Confident | 77.5 | Confident | 110 Ų | 110 | 67.6 Ų | 67.6 | 51% | 0.514 | 37% | 0.367 | S | S | . | . | trans | -96.2 | -22.3 | -177.8 | -67.6 | 176.9 | -10.8 | 0 | 0 | 112.3 | N75 E78 V128 | N75-Q130 VanDerWaalsContact ND2-CD 3.33Å; N75-Q130 PolarHBondContact ND2-OE1 3.47Å; E78-Q130 PolarHBondContact OE2-N 3.2Å; V128-Q130 PolarHBondContact O-N 2.87Å | ||
| 131 | Q | 77.7 | Confident | 77 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -87.7 | 134 | 178.6 | -64.8 | -66.4 | -8.3 | 0 | 0 | 112.1 | Q72 E73 L74 E78 M122 | Q72-Q131 VanDerWaalsContact OE1-CG 3.28Å; E73-Q131 PolarHBondContact O-NE2 3.35Å; L74-Q131 HydrophobicContact CD2-CB 4.43Å; L74-Q131 HydrophobicContact CD2-CG 3.84Å; E78-Q131 PolarHBondContact OE2-N 3.3Å; M122-Q131 WeakPolarHBondContact CE-O 3.5Å |
| 132 | H | 64.8 | Low | 76.6 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | trans | -90 | 140.9 | 178.8 | -63.5 | -60.9 | 0 | 0 | 0 | 112.6 | H134 R135 | H132-H134 PolarHBondContact O-N 3.06Å; H132-H134 VanDerWaalsContact O-N 3.1Å; H132-R135 PolarHBondContact O-N 3.19Å; H132-R135 VanDerWaalsContact O-N 3.16Å | ||
| 133 | F | 63.7 | Low | 76.4 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 9% | 0.092 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -55.5 | -32.6 | -172.5 | -115.4 | -109.5 | 0 | 0 | 0 | 115.8 | F65 W82 L115 L118 M122 R135 F136 | F65-F133 HydrophobicContact CB-CE1 4.06Å; F65-F133 HydrophobicContact CB-CZ 3.63Å; F65-F133 AromaticContact CD1-CD1 3.66Å; F65-F133 HydrophobicContact CD1-CD1 3.66Å; F65-F133 AromaticContact CD1-CE1 3.1Å; F65-F133 HydrophobicContact CD1-CE1 3.1Å; F65-F133 AromaticContact CD1-CZ 3.55Å; F65-F133 HydrophobicContact CD1-CZ 3.55Å; F65-F133 HydrophobicContact CD2-CD1 4.39Å; F65-F133 AromaticContact CD2-CE1 3.24Å; F65-F133 HydrophobicContact CD2-CE1 3.24Å; F65-F133 AromaticContact CD2-CZ 3.54Å; F65-F133 HydrophobicContact CD2-CZ 3.54Å; F65-F133 AromaticContact CE1-CD1 3.38Å; F65-F133 HydrophobicContact CE1-CD1 3.38Å; F65-F133 AromaticContact CE1-CE1 3.14Å; F65-F133 HydrophobicContact CE1-CE1 3.14Å; F65-F133 HydrophobicContact CE1-CZ 4.07Å; F65-F133 HydrophobicContact CE2-CD1 4.19Å; F65-F133 AromaticContact CE2-CE1 3.3Å; F65-F133 HydrophobicContact CE2-CE1 3.3Å; F65-F133 HydrophobicContact CE2-CZ 4.08Å; F65-F133 HydrophobicContact CG-CD1 4.18Å; F65-F133 AromaticContact CG-CE1 3.17Å; F65-F133 HydrophobicContact CG-CE1 3.17Å; F65-F133 HydrophobicContact CG-CE2 4.46Å; F65-F133 AromaticContact CG-CZ 3.27Å; F65-F133 HydrophobicContact CG-CZ 3.27Å; F65-F133 AromaticContact CZ-CD1 3.68Å; F65-F133 HydrophobicContact CZ-CD1 3.68Å; F65-F133 AromaticContact CZ-CE1 3.25Å; F65-F133 HydrophobicContact CZ-CE1 3.25Å; F65-F133 HydrophobicContact CZ-CZ 4.32Å; W82-F133 AromaticContact CH2-CE2 3.69Å; W82-F133 HydrophobicContact CH2-CE2 3.69Å; W82-F133 AromaticContact CH2-CZ 3.93Å; W82-F133 HydrophobicContact CH2-CZ 3.93Å; W82-F133 AromaticContact CZ2-CE2 3.84Å; W82-F133 HydrophobicContact CZ2-CE2 3.84Å; W82-F133 HydrophobicContact CZ2-CZ 4.47Å; L115-F133 HydrophobicContact CD1-CD1 4.21Å; L115-F133 HydrophobicContact CD1-CE1 3.9Å; L118-F133 HydrophobicContact CD2-CE1 3.96Å; L118-F133 HydrophobicContact CD2-CE2 3.77Å; L118-F133 HydrophobicContact CD2-CZ 3.29Å; L118-F133 HydrophobicContact CG-CE2 4.23Å; L118-F133 HydrophobicContact CG-CZ 4.21Å; M122-F133 HydrophobicContact CE-CD2 3.86Å; M122-F133 HydrophobicContact CE-CE2 4.06Å; M122-F133 HydrophobicContact SD-CD2 3.4Å; M122-F133 WeakPolarHBondContact SD-CD2 3.4Å; M122-F133 HydrophobicContact SD-CE2 3.35Å; M122-F133 WeakPolarHBondContact SD-CE2 3.2Å; F133-R135 PolarHBondContact O-N 3.16Å; F133-F136 VanDerWaalsContact CA-CD2 3.47Å; F133-F136 VanDerWaalsContact CA-CE2 3.47Å; F133-F136 HydrophobicContact CB-CD2 4.19Å; F133-F136 HydrophobicContact CB-CE2 4.21Å; F133-F136 AromaticContact CD1-CD2 3.96Å; F133-F136 HydrophobicContact CD1-CD2 3.96Å; F133-F136 HydrophobicContact CD1-CE2 4.28Å; F133-F136 AromaticContact CD2-CD2 3.99Å; F133-F136 HydrophobicContact CD2-CD2 3.99Å; F133-F136 AromaticContact CD2-CE2 3.46Å; F133-F136 HydrophobicContact CD2-CE2 3.46Å; F133-F136 VanDerWaalsContact CD2-CE2 3.46Å; F133-F136 HydrophobicContact CE1-CD2 4.36Å; F133-F136 HydrophobicContact CE2-CD2 4.27Å; F133-F136 AromaticContact CE2-CE2 3.72Å; F133-F136 HydrophobicContact CE2-CE2 3.72Å; F133-F136 AromaticContact CG-CD2 3.76Å; F133-F136 HydrophobicContact CG-CD2 3.76Å; F133-F136 AromaticContact CG-CE2 3.71Å; F133-F136 HydrophobicContact CG-CE2 3.71Å; F133-F136 HydrophobicContact CZ-CD2 4.43Å; F133-F136 HydrophobicContact CZ-CE2 4.27Å; F133-F136 VanDerWaalsContact O-CD2 3.24Å; F133-F136 WeakPolarHBondContact O-CD2 3.39Å; F133-F136 PolarHBondContact O-N 3.08Å |
| 134 | H | 60.1 | Low | 76.4 | Confident | 149 Ų | 149 | 68 Ų | 68 | 69% | 0.69 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -63.9 | -13.3 | -175.9 | -22 | -60.9 | 0 | 0 | 0 | 112.7 | H132 | H132-H134 PolarHBondContact O-N 3.06Å; H132-H134 VanDerWaalsContact O-N 3.1Å |
| 135 | R | 59.6 | Low | 76.3 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -92.9 | -2.8 | 177.8 | -63.6 | -176.8 | 177.8 | 170.5 | -1.6 | 113.9 | Q72 H132 F133 | Q72-R135 PolarHBondContact NE2-O 2.93Å; H132-R135 PolarHBondContact O-N 3.19Å; H132-R135 VanDerWaalsContact O-N 3.16Å; F133-R135 PolarHBondContact O-N 3.16Å |
| 136 | F | 64.1 | Low | 76.3 | Confident | 16 Ų | 16 | 62.4 Ų | 62.4 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -79.8 | 125.4 | 178.8 | -60.4 | -49.4 | 0 | 0 | 0 | 110.2 | F65 Q72 F133 A138 | F65-F136 HydrophobicContact CD1-CB 4.16Å; F65-F136 AromaticContact CD1-CD2 3.72Å; F65-F136 HydrophobicContact CD1-CD2 3.72Å; F65-F136 HydrophobicContact CD1-CG 4.22Å; F65-F136 HydrophobicContact CE1-CB 4.34Å; F65-F136 HydrophobicContact CE1-CD2 4.23Å; Q72-F136 VanDerWaalsContact NE2-CD1 3.33Å; F133-F136 VanDerWaalsContact CA-CD2 3.47Å; F133-F136 VanDerWaalsContact CA-CE2 3.47Å; F133-F136 HydrophobicContact CB-CD2 4.19Å; F133-F136 HydrophobicContact CB-CE2 4.21Å; F133-F136 AromaticContact CD1-CD2 3.96Å; F133-F136 HydrophobicContact CD1-CD2 3.96Å; F133-F136 HydrophobicContact CD1-CE2 4.28Å; F133-F136 AromaticContact CD2-CD2 3.99Å; F133-F136 HydrophobicContact CD2-CD2 3.99Å; F133-F136 AromaticContact CD2-CE2 3.46Å; F133-F136 HydrophobicContact CD2-CE2 3.46Å; F133-F136 VanDerWaalsContact CD2-CE2 3.46Å; F133-F136 HydrophobicContact CE1-CD2 4.36Å; F133-F136 HydrophobicContact CE2-CD2 4.27Å; F133-F136 AromaticContact CE2-CE2 3.72Å; F133-F136 HydrophobicContact CE2-CE2 3.72Å; F133-F136 AromaticContact CG-CD2 3.76Å; F133-F136 HydrophobicContact CG-CD2 3.76Å; F133-F136 AromaticContact CG-CE2 3.71Å; F133-F136 HydrophobicContact CG-CE2 3.71Å; F133-F136 HydrophobicContact CZ-CD2 4.43Å; F133-F136 HydrophobicContact CZ-CE2 4.27Å; F133-F136 VanDerWaalsContact O-CD2 3.24Å; F133-F136 WeakPolarHBondContact O-CD2 3.39Å; F133-F136 PolarHBondContact O-N 3.08Å; F136-A138 PolarHBondContact O-N 2.98Å |
| 137 | P | 55.3 | Low | 76.5 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | trans | -60.7 | 109.6 | -175.3 | 20.8 | -31 | 0 | 0 | 0 | 111.1 | G139 | P137-G139 PolarHBondContact O-N 2.85Š| ||
| 138 | A | 55.3 | Low | 76.8 | Confident | 109 Ų | 109 | 54.3 Ų | 54.3 | 90% | 0.901 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 113.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.1 | F136 | F136-A138 PolarHBondContact O-N 2.98Š|
| 139 | G | 64.5 | Low | 77 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 74% | 0.742 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.7 | 7.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P137 S141 | P137-G139 PolarHBondContact O-N 2.85Å; G139-S141 PolarHBondContact O-N 3.17Å |
| 140 | Q | 71.1 | Confident | 77.1 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | trans | -64.8 | 125.8 | 172.1 | -166.7 | -179.4 | 44.8 | 0 | 0 | 110.3 | H142 I144 S145 Y191 | Q140-H142 PolarHBondContact O-N 3.45Å; Q140-I144 HydrophobicContact CG-CB 4.17Å; Q140-I144 HydrophobicContact CG-CG2 4.07Å; Q140-S145 VanDerWaalsContact CD-OG 3.28Å; Q140-S145 PolarHBondContact OE1-OG 2.98Å; Q140-Y191 HydrophobicContact CB-CE1 4.12Å; Q140-Y191 HydrophobicContact CG-CD1 3.8Å; Q140-Y191 HydrophobicContact CG-CE1 3.75Å; Q140-Y191 HydrophobicContact CG-CG 4.43Å | ||
| 141 | S | 80.5 | Confident | 77.6 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | trans | -58.7 | 136.7 | 174.1 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | G139 C143 I144 S145 | G139-S141 PolarHBondContact O-N 3.17Å; S141-C143 PolarHBondContact O-N 2.85Å; S141-C143 VanDerWaalsContact O-N 3.13Å; S141-C143 PolarHBondContact OG-N 3.45Å; S141-I144 PolarHBondContact O-N 3.25Å; S141-S145 PolarHBondContact O-N 2.89Å; S141-S145 PolarHBondContact O-OG 3.21Å | ||
| 142 | H | 84.1 | Confident | 78.5 | Confident | 118 Ų | 118 | 47.2 Ų | 47.2 | 55% | 0.546 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -53.9 | -35.2 | 176.5 | -179.2 | -76.1 | 0 | 0 | 0 | 112.7 | H64 Q140 S145 T146 | H64-H142 AromaticContact CE1-CD2 3.8Å; H64-H142 AromaticContact NE2-CD2 3.71Å; Q140-H142 PolarHBondContact O-N 3.45Å; H142-S145 PolarHBondContact O-N 3.02Å; H142-T146 WeakPolarHBondContact O-CB 3.42Å; H142-T146 PolarHBondContact O-N 3.04Å; H142-T146 PolarHBondContact O-OG1 3.48Å |
| 143 | C | 88 | Confident | 79.9 | Confident | 48 Ų | 48 | 43 Ų | 43 | 32% | 0.324 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 176.7 | -171 | 0 | 0 | 0 | 0 | 111.4 | S141 T146 I147 L182 | S141-C143 PolarHBondContact O-N 2.85Å; S141-C143 VanDerWaalsContact O-N 3.13Å; S141-C143 PolarHBondContact OG-N 3.45Å; C143-T146 WeakPolarHBondContact O-CB 3.47Å; C143-T146 PolarHBondContact O-N 3Å; C143-I147 WeakPolarHBondContact O-CG1 3.43Å; C143-I147 PolarHBondContact O-N 3.23Å; C143-L182 VanDerWaalsContact SG-CD1 3.56Å |
| 144 | I | 89.5 | Confident | 81.5 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.087 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 177 | -60.2 | -63.2 | 0 | 0 | 0 | 110.5 | Q140 S141 T146 I147 V148 M173 M177 Y191 | Q140-I144 HydrophobicContact CG-CB 4.17Å; Q140-I144 HydrophobicContact CG-CG2 4.07Å; S141-I144 PolarHBondContact O-N 3.25Å; I144-T146 PolarHBondContact O-N 3.2Å; I144-I147 PolarHBondContact O-N 3.38Å; I144-V148 HydrophobicContact CG2-CG2 4.22Å; I144-V148 WeakPolarHBondContact O-CG2 3.37Å; I144-V148 PolarHBondContact O-N 3.35Å; I144-M173 HydrophobicContact CG2-CE 4.15Å; I144-M177 HydrophobicContact CD1-CE 3.59Å; I144-Y191 HydrophobicContact CG2-CD2 3.57Å; I144-Y191 HydrophobicContact CG2-CE2 4.18Å; I144-Y191 HydrophobicContact CG2-CG 3.77Å |
| 145 | S | 89.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 176.8 | -53.6 | 0 | 0 | 0 | 0 | 112 | H64 Q140 S141 H142 V148 M149 | H64-S145 PolarHBondContact ND1-OG 2.62Å; H64-S145 VanDerWaalsContact ND1-OG 3.16Å; Q140-S145 VanDerWaalsContact CD-OG 3.28Å; Q140-S145 PolarHBondContact OE1-OG 2.98Å; S141-S145 PolarHBondContact O-N 2.89Å; S141-S145 PolarHBondContact O-OG 3.21Å; H142-S145 PolarHBondContact O-N 3.02Å; S145-V148 PolarHBondContact O-N 3.16Å; S145-M149 PolarHBondContact O-N 3Å |
| 146 | T | 90.6 | Very high | 84.8 | Confident | 32 Ų | 32 | 27.9 Ų | 27.9 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | H142 C143 I144 M149 G150 I230 | H142-T146 WeakPolarHBondContact O-CB 3.42Å; H142-T146 PolarHBondContact O-N 3.04Å; H142-T146 PolarHBondContact O-OG1 3.48Å; C143-T146 WeakPolarHBondContact O-CB 3.47Å; C143-T146 PolarHBondContact O-N 3Å; I144-T146 PolarHBondContact O-N 3.2Å; T146-M149 WeakPolarHBondContact O-CB 3.45Å; T146-M149 PolarHBondContact O-N 3.07Å; T146-G150 PolarHBondContact O-N 3.16Å; T146-G150 VanDerWaalsContact O-N 3.14Å; T146-I230 HydrophobicContact CG2-CB 3.93Å; T146-I230 HydrophobicContact CG2-CG1 4.42Å; T146-I230 HydrophobicContact CG2-CG2 3.5Å |
| 147 | I | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | 176.2 | -71.1 | 167.2 | 0 | 0 | 0 | 111.1 | C143 I144 M149 G150 V151 M173 F176 M177 F180 L182 | C143-I147 WeakPolarHBondContact O-CG1 3.43Å; C143-I147 PolarHBondContact O-N 3.23Å; I144-I147 PolarHBondContact O-N 3.38Å; I147-M149 VanDerWaalsContact C-N 3.29Å; I147-M149 PolarHBondContact O-N 3.39Å; I147-G150 WeakPolarHBondContact O-CA 3.44Å; I147-G150 PolarHBondContact O-N 3.38Å; I147-V151 PolarHBondContact O-N 3.02Å; I147-M173 HydrophobicContact CG2-CG 3.85Å; I147-F176 HydrophobicContact CG2-CB 3.85Å; I147-M177 HydrophobicContact CD1-CG 4.1Å; I147-M177 HydrophobicContact CG2-CG 4.42Å; I147-F180 HydrophobicContact CD1-CD2 4.09Å; I147-F180 HydrophobicContact CG1-CD2 4.07Å; I147-F180 HydrophobicContact CG1-CE2 4.06Å; I147-L182 HydrophobicContact CD1-CD1 4.07Å |
| 148 | V | 93.9 | Very high | 88 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | I67 I144 S145 G150 V151 L152 M173 Y191 | I67-V148 HydrophobicContact CD1-CG1 4.36Å; I67-V148 HydrophobicContact CG2-CB 3.88Å; I67-V148 HydrophobicContact CG2-CG1 3.73Å; I144-V148 HydrophobicContact CG2-CG2 4.22Å; I144-V148 WeakPolarHBondContact O-CG2 3.37Å; I144-V148 PolarHBondContact O-N 3.35Å; S145-V148 PolarHBondContact O-N 3.16Å; V148-G150 VanDerWaalsContact C-N 3.28Å; V148-G150 PolarHBondContact O-N 3.4Å; V148-V151 WeakPolarHBondContact O-CB 3.15Å; V148-V151 PolarHBondContact O-N 3.12Å; V148-V151 VanDerWaalsContact O-N 3.13Å; V148-L152 HydrophobicContact CG1-CD1 4.08Å; V148-L152 HydrophobicContact CG1-CG 4.42Å; V148-L152 WeakPolarHBondContact O-CB 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 3.3Å; V148-M173 HydrophobicContact CG2-CE 4.05Å; V148-Y191 WeakPolarHBondContact CG2-O 3.38Å |
| 149 | M | 93.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -44.3 | 170.4 | -173 | -161.9 | 170.5 | 0 | 0 | 111.3 | F63 I67 M86 V90 S145 T146 I147 V151 L152 C153 L231 | F63-M149 HydrophobicContact CE2-CB 3.99Å; F63-M149 HydrophobicContact CE2-CG 4.02Å; F63-M149 HydrophobicContact CE2-SD 3.79Å; F63-M149 HydrophobicContact CZ-CB 4.08Å; F63-M149 HydrophobicContact CZ-SD 4.39Å; I67-M149 HydrophobicContact CD1-CB 3.97Å; M86-M149 HydrophobicContact CE-CG 4.25Å; M86-M149 HydrophobicContact CG-CG 4.32Å; M86-M149 HydrophobicContact SD-CB 4.3Å; M86-M149 HydrophobicContact SD-CG 3.78Å; V90-M149 HydrophobicContact CB-CE 3.93Å; V90-M149 HydrophobicContact CG1-CE 3.93Å; V90-M149 HydrophobicContact CG2-CE 3.21Å; V90-M149 HydrophobicContact CG2-SD 3.6Å; V90-M149 VanDerWaalsContact CG2-SD 3.6Å; S145-M149 PolarHBondContact O-N 3Å; T146-M149 WeakPolarHBondContact O-CB 3.45Å; T146-M149 PolarHBondContact O-N 3.07Å; I147-M149 VanDerWaalsContact C-N 3.29Å; I147-M149 PolarHBondContact O-N 3.39Å; M149-V151 VanDerWaalsContact C-N 3.35Å; M149-V151 PolarHBondContact O-N 3.4Å; M149-L152 PolarHBondContact O-N 3.1Å; M149-C153 PolarHBondContact O-N 3.23Å; M149-C153 PolarHBondContact O-SG 2.75Å; M149-L231 HydrophobicContact CE-CD1 3.87Å; M149-L231 HydrophobicContact CE-CD2 3.65Å; M149-L231 HydrophobicContact CE-CG 4.36Å; M149-L231 HydrophobicContact SD-CD1 4.37Å; M149-L231 HydrophobicContact SD-CD2 4.09Å |
| 150 | G | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.6 | -49.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T146 I147 V148 L152 C153 M154 | T146-G150 PolarHBondContact O-N 3.16Å; T146-G150 VanDerWaalsContact O-N 3.14Å; I147-G150 WeakPolarHBondContact O-CA 3.44Å; I147-G150 PolarHBondContact O-N 3.38Å; V148-G150 VanDerWaalsContact C-N 3.28Å; V148-G150 PolarHBondContact O-N 3.4Å; G150-L152 PolarHBondContact O-N 3.35Å; G150-C153 PolarHBondContact O-N 3.09Å; G150-M154 WeakPolarHBondContact O-CG 3.4Å; G150-M154 PolarHBondContact O-N 3.01Å |
| 151 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | I147 V148 M149 C153 M154 V172 M173 F176 L192 | I147-V151 PolarHBondContact O-N 3.02Å; V148-V151 WeakPolarHBondContact O-CB 3.15Å; V148-V151 PolarHBondContact O-N 3.12Å; V148-V151 VanDerWaalsContact O-N 3.13Å; M149-V151 VanDerWaalsContact C-N 3.35Å; M149-V151 PolarHBondContact O-N 3.4Å; V151-C153 VanDerWaalsContact C-N 3.3Å; V151-C153 PolarHBondContact O-N 2.66Å; V151-M154 WeakPolarHBondContact O-CB 3.36Å; V151-M154 PolarHBondContact O-N 3.19Å; V151-V172 HydrophobicContact CB-CG1 4.47Å; V151-V172 HydrophobicContact CG1-CG1 4.46Å; V151-V172 HydrophobicContact CG2-CG1 4.07Å; V151-M173 HydrophobicContact CG2-CB 4.02Å; V151-M173 HydrophobicContact CG2-CG 4.43Å; V151-F176 HydrophobicContact CG2-CD2 4.13Å; V151-F176 HydrophobicContact CG2-CE2 4.48Å; V151-L192 HydrophobicContact CB-CD2 4.47Å; V151-L192 HydrophobicContact CG1-CD2 4.01Å; V151-L192 HydrophobicContact CG2-CD2 4.19Å |
| 152 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 178.5 | -79.3 | 169 | 0 | 0 | 0 | 112.6 | I67 F70 Y83 M86 V148 M149 G150 M154 F155 P193 L201 | I67-L152 HydrophobicContact CD1-CD1 3.68Å; F70-L152 HydrophobicContact CD1-CD2 4.27Å; F70-L152 HydrophobicContact CD2-CD1 3.57Å; F70-L152 HydrophobicContact CD2-CD2 4.1Å; F70-L152 HydrophobicContact CE1-CD2 4.44Å; F70-L152 HydrophobicContact CE2-CD1 3.89Å; F70-L152 HydrophobicContact CE2-CD2 4.26Å; F70-L152 HydrophobicContact CG-CD1 4.26Å; F70-L152 HydrophobicContact CG-CD2 4.13Å; F70-L152 HydrophobicContact CZ-CD2 4.44Å; Y83-L152 HydrophobicContact CD2-CD2 4.34Å; Y83-L152 HydrophobicContact CE2-CB 3.95Å; Y83-L152 HydrophobicContact CE2-CD2 4.29Å; Y83-L152 WeakPolarHBondContact CE2-O 3.43Å; Y83-L152 PolarHBondContact OH-O 3.44Å; M86-L152 HydrophobicContact CE-CB 4.17Å; M86-L152 HydrophobicContact CE-CD1 4.48Å; M86-L152 HydrophobicContact SD-CB 4.2Å; M86-L152 HydrophobicContact SD-CD1 3.61Å; V148-L152 HydrophobicContact CG1-CD1 4.08Å; V148-L152 HydrophobicContact CG1-CG 4.42Å; V148-L152 WeakPolarHBondContact O-CB 3.23Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 3.3Å; M149-L152 PolarHBondContact O-N 3.1Å; G150-L152 PolarHBondContact O-N 3.35Å; L152-M154 VanDerWaalsContact C-N 3.29Å; L152-M154 PolarHBondContact O-N 3.23Å; L152-F155 HydrophobicContact CD2-CD2 4.5Å; L152-F155 HydrophobicContact CD2-CE2 4.23Å; L152-P193 HydrophobicContact CD2-CG 3.58Å; L152-P193 HydrophobicContact CG-CG 4.14Å; L152-L201 HydrophobicContact CD2-CD1 3.65Å |
| 153 | C | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -27.4 | 174.4 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | M149 G150 V151 F155 I156 V219 | M149-C153 PolarHBondContact O-N 3.23Å; M149-C153 PolarHBondContact O-SG 2.75Å; G150-C153 PolarHBondContact O-N 3.09Å; V151-C153 VanDerWaalsContact C-N 3.3Å; V151-C153 PolarHBondContact O-N 2.66Å; C153-F155 VanDerWaalsContact C-N 3.25Å; C153-F155 PolarHBondContact O-N 3.24Å; C153-I156 WeakPolarHBondContact O-CG1 3.48Å; C153-V219 HydrophobicContact CB-CG2 3.95Å |
| 154 | M | 96 | Very high | 93.1 | Very high | 19 Ų | 19 | 33 Ų | 33 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.4 | -16.1 | -179.4 | -65.8 | -51.6 | -58.7 | 0 | 0 | 114 | G150 V151 L152 I156 G157 K158 W168 V172 F176 A234 W237 L238 | G150-M154 WeakPolarHBondContact O-CG 3.4Å; G150-M154 PolarHBondContact O-N 3.01Å; V151-M154 WeakPolarHBondContact O-CB 3.36Å; V151-M154 PolarHBondContact O-N 3.19Å; L152-M154 VanDerWaalsContact C-N 3.29Å; L152-M154 PolarHBondContact O-N 3.23Å; M154-I156 PolarHBondContact O-N 3.15Å; M154-G157 PolarHBondContact O-N 3.23Å; M154-K158 PolarHBondContact O-N 3.23Å; M154-W168 HydrophobicContact CB-CH2 4.36Å; M154-W168 HydrophobicContact CB-CZ2 3.91Å; M154-V172 HydrophobicContact CB-CG1 4.34Å; M154-V172 HydrophobicContact CG-CG1 3.87Å; M154-F176 HydrophobicContact CG-CE2 3.91Å; M154-F176 HydrophobicContact CG-CZ 4.02Å; M154-F176 HydrophobicContact SD-CZ 4.21Å; M154-A234 HydrophobicContact SD-CB 4.21Å; M154-W237 HydrophobicContact CE-CB 3.86Å; M154-W237 HydrophobicContact SD-CB 4.25Å; M154-L238 HydrophobicContact CE-CD2 3.85Å; M154-L238 HydrophobicContact CE-CG 4.09Å; M154-L238 HydrophobicContact SD-CD2 4.12Å; M154-L238 HydrophobicContact SD-CG 4.04Å |
| 155 | F | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -59 | -31.1 | 177.4 | -84.1 | -91.4 | 0 | 0 | 0 | 113.1 | L152 C153 G157 K158 V160 Y165 W168 A198 N202 F205 | L152-F155 HydrophobicContact CD2-CD2 4.5Å; L152-F155 HydrophobicContact CD2-CE2 4.23Å; C153-F155 VanDerWaalsContact C-N 3.25Å; C153-F155 PolarHBondContact O-N 3.24Å; F155-G157 PolarHBondContact O-N 3Å; F155-K158 PolarHBondContact O-N 3.34Å; F155-K158 VanDerWaalsContact O-O 3.07Å; F155-V160 HydrophobicContact CD1-CG2 4.06Å; F155-V160 HydrophobicContact CE1-CG2 3.74Å; F155-Y165 HydrophobicContact CE1-CE2 4.32Å; F155-Y165 HydrophobicContact CZ-CD2 4.28Å; F155-Y165 AromaticContact CZ-CE2 3.68Å; F155-Y165 HydrophobicContact CZ-CE2 3.68Å; F155-W168 HydrophobicContact CD1-CH2 4.21Å; F155-W168 HydrophobicContact CD1-CZ3 4.36Å; F155-W168 AromaticContact CD2-CH2 3.81Å; F155-W168 HydrophobicContact CD2-CH2 3.81Å; F155-W168 HydrophobicContact CD2-CZ3 4.21Å; F155-W168 HydrophobicContact CE1-CH2 4.28Å; F155-W168 AromaticContact CE1-CZ3 3.97Å; F155-W168 HydrophobicContact CE1-CZ3 3.97Å; F155-W168 AromaticContact CE2-CH2 3.89Å; F155-W168 HydrophobicContact CE2-CH2 3.89Å; F155-W168 AromaticContact CE2-CZ3 3.82Å; F155-W168 HydrophobicContact CE2-CZ3 3.82Å; F155-W168 HydrophobicContact CG-CH2 4.01Å; F155-W168 HydrophobicContact CG-CZ3 4.49Å; F155-W168 HydrophobicContact CZ-CH2 4.14Å; F155-W168 AromaticContact CZ-CZ3 3.71Å; F155-W168 HydrophobicContact CZ-CZ3 3.71Å; F155-A198 HydrophobicContact CE1-CB 3.81Å; F155-A198 WeakPolarHBondContact CE1-O 3.24Å; F155-A198 HydrophobicContact CZ-CB 3.59Å; F155-N202 HydrophobicContact CD1-CB 4.39Å; F155-F205 HydrophobicContact CB-CD2 3.79Å; F155-F205 HydrophobicContact CB-CE2 3.93Å |
| 156 | I | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -66.4 | -21.1 | 178.7 | 76.2 | -179.2 | 0 | 0 | 0 | 112.8 | C153 M154 F205 R212 V215 L216 L238 I294 | C153-I156 WeakPolarHBondContact O-CG1 3.48Å; M154-I156 PolarHBondContact O-N 3.15Å; I156-F205 HydrophobicContact CG2-CD1 3.79Å; I156-F205 HydrophobicContact CG2-CD2 4.14Å; I156-F205 HydrophobicContact CG2-CE1 3.75Å; I156-F205 HydrophobicContact CG2-CE2 4.08Å; I156-F205 HydrophobicContact CG2-CG 4.01Å; I156-F205 HydrophobicContact CG2-CZ 3.91Å; I156-R212 HydrophobicContact CB-CB 4.5Å; I156-R212 HydrophobicContact CB-CG 4.21Å; I156-V215 HydrophobicContact CD1-CB 4.28Å; I156-V215 HydrophobicContact CD1-CG1 4.02Å; I156-V215 HydrophobicContact CG2-CB 3.93Å; I156-V215 HydrophobicContact CG2-CG1 3.77Å; I156-V215 HydrophobicContact CG2-CG2 4.42Å; I156-L216 HydrophobicContact CD1-CB 4.01Å; I156-L216 HydrophobicContact CD1-CD1 4.29Å; I156-L238 HydrophobicContact CD1-CD1 3.91Å; I156-L238 HydrophobicContact CD1-CD2 4.36Å; I156-L238 HydrophobicContact CG1-CD1 4.19Å; I156-L238 HydrophobicContact CG1-CD2 3.74Å; I156-I294 HydrophobicContact CB-CG2 4.43Å; I156-I294 HydrophobicContact CD1-CD1 4.43Å; I156-I294 HydrophobicContact CD1-CG2 4.02Å; I156-I294 HydrophobicContact CG1-CD1 4.2Å; I156-I294 HydrophobicContact CG1-CG2 4.17Å |
| 157 | G | 94.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -102.5 | 2.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M154 F155 S241 R242 | M154-G157 PolarHBondContact O-N 3.23Å; F155-G157 PolarHBondContact O-N 3Å; G157-S241 WeakPolarHBondContact CA-OG 3.24Å; G157-S241 WeakPolarHBondContact O-CB 3.3Å; G157-R242 VanDerWaalsContact O-CG 3.23Å; G157-R242 WeakPolarHBondContact O-CG 3.36Å; G157-R242 PolarHBondContact O-N 3.35Å |
| 158 | K | 90.6 | Very high | 93.7 | Very high | 97 Ų | 97 | 38.5 Ų | 38.5 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | trans | -144.1 | 126.8 | -177.7 | -175.8 | 67.4 | 179.7 | 169.9 | 0 | 111.8 | M154 F155 V160 W168 N202 | M154-K158 PolarHBondContact O-N 3.23Å; F155-K158 PolarHBondContact O-N 3.34Å; F155-K158 VanDerWaalsContact O-O 3.07Å; K158-V160 HydrophobicContact CB-CG1 4.45Å; K158-V160 HydrophobicContact CG-CG1 3.66Å; K158-V160 PolarHBondContact O-N 2.84Å; K158-W168 HydrophobicContact CB-CZ2 3.98Å; K158-W168 HydrophobicContact CG-CD2 4.46Å; K158-W168 HydrophobicContact CG-CZ2 4.29Å; K158-N202 PolarHBondContact O-OD1 3.32Å | ||
| 159 | E | 88.7 | Confident | 93.8 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 34% | 0.336 | 19% | 0.192 | S | C | . | . | trans | -79.8 | 110.4 | 161.2 | -70.5 | 163.8 | -126.4 | 0 | 0 | 108.5 | N202 R242 R293 | E159-N202 WeakPolarHBondContact CA-OD1 3.43Å; E159-R242 IonicContact OE1-CZ 3.93Å; E159-R242 IonicContact OE1-NE 3.17Å; E159-R242 PolarHBondContact OE1-NE 3.47Å; E159-R242 IonicContact OE1-NH2 2.88Å; E159-R242 PolarHBondContact OE1-NH2 2.91Å; E159-R293 IonicContact OE1-NH2 2.96Å | ||
| 160 | V | 90.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | trans | -101.2 | 147.9 | 174.3 | -67.4 | 0 | 0 | 0 | 0 | 110.3 | F155 K158 Y165 W168 M199 N202 | F155-V160 HydrophobicContact CD1-CG2 4.06Å; F155-V160 HydrophobicContact CE1-CG2 3.74Å; K158-V160 HydrophobicContact CB-CG1 4.45Å; K158-V160 HydrophobicContact CG-CG1 3.66Å; K158-V160 PolarHBondContact O-N 2.84Å; V160-Y165 HydrophobicContact CG2-CD2 4.47Å; V160-W168 HydrophobicContact CG1-CB 4.5Å; V160-W168 HydrophobicContact CG1-CD2 3.56Å; V160-W168 HydrophobicContact CG1-CE3 3.51Å; V160-W168 HydrophobicContact CG1-CG 4.02Å; V160-W168 HydrophobicContact CG1-CH2 4.37Å; V160-W168 HydrophobicContact CG1-CZ2 4.43Å; V160-W168 HydrophobicContact CG1-CZ3 3.94Å; V160-M199 HydrophobicContact CB-CE 4.39Å; V160-M199 HydrophobicContact CG2-CE 3.67Å; V160-N202 HydrophobicContact CG2-CB 3.77Å; V160-N202 WeakPolarHBondContact CG2-OD1 3.3Å; V160-N202 PolarHBondContact N-OD1 3.48Å; V160-N202 PolarHBondContact O-ND2 3.14Å; V160-N202 PolarHBondContact O-OD1 3.24Å | ||
| 161 | T | 92.5 | Very high | 93.9 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 39% | 0.387 | 23% | 0.226 | S | C | . | . | trans | -111.2 | 168.1 | 169.5 | 72.4 | 0 | 0 | 0 | 0 | 109.3 | E163 T164 Y165 | T161-E163 WeakPolarHBondContact CB-OE2 3.36Å; T161-E163 PolarHBondContact O-N 2.93Å; T161-E163 PolarHBondContact OG1-OE2 3.17Å; T161-T164 PolarHBondContact N-OG1 3.42Å; T161-T164 PolarHBondContact O-N 3.5Å; T161-T164 PolarHBondContact O-OG1 3.36Å; T161-T164 PolarHBondContact OG1-N 3.31Å; T161-T164 PolarHBondContact OG1-OG1 3.07Å; T161-Y165 VanDerWaalsContact O-CB 3.26Å; T161-Y165 WeakPolarHBondContact O-CB 3.14Å; T161-Y165 PolarHBondContact O-N 2.8Å | ||
| 162 | R | 93.9 | Very high | 93.8 | Very high | 161 Ų | 161 | 47.1 Ų | 47.1 | 61% | 0.608 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -57.1 | -39.7 | 177.1 | -73 | -174.5 | 176.2 | -150.9 | -2.1 | 111.7 | I195 M199 | R162-I195 HydrophobicContact CB-CG2 4.46Å; R162-I195 HydrophobicContact CG-CG2 4.08Å; R162-M199 HydrophobicContact CG-CG 3.81Å; R162-M199 HydrophobicContact CG-SD 3.78Å |
| 163 | E | 93.7 | Very high | 93.9 | Very high | 154 Ų | 154 | 47.1 Ų | 47.1 | 72% | 0.72 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -72.3 | -33.2 | -176.7 | -50.6 | 70.7 | -146.6 | 0 | 0 | 111.9 | T161 | T161-E163 WeakPolarHBondContact CB-OE2 3.36Å; T161-E163 PolarHBondContact O-N 2.93Å; T161-E163 PolarHBondContact OG1-OE2 3.17Å |
| 164 | T | 92.5 | Very high | 93.9 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -94.5 | -20.2 | -175.2 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | T161 V166 S167 W168 | T161-T164 PolarHBondContact N-OG1 3.42Å; T161-T164 PolarHBondContact O-N 3.5Å; T161-T164 PolarHBondContact O-OG1 3.36Å; T161-T164 PolarHBondContact OG1-N 3.31Å; T161-T164 PolarHBondContact OG1-OG1 3.07Å; T164-V166 PolarHBondContact O-N 2.6Å; T164-S167 PolarHBondContact O-N 3.24Å; T164-S167 PolarHBondContact O-OG 3.41Å; T164-W168 WeakPolarHBondContact O-CB 3.38Å; T164-W168 PolarHBondContact O-N 3Å |
| 165 | Y | 95.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.5 | -56.4 | -171.5 | 169 | -109 | 0 | 0 | 0 | 113.1 | F155 V160 T161 S167 W168 S169 P193 I195 A198 M199 | F155-Y165 HydrophobicContact CE1-CE2 4.32Å; F155-Y165 HydrophobicContact CZ-CD2 4.28Å; F155-Y165 AromaticContact CZ-CE2 3.68Å; F155-Y165 HydrophobicContact CZ-CE2 3.68Å; V160-Y165 HydrophobicContact CG2-CD2 4.47Å; T161-Y165 VanDerWaalsContact O-CB 3.26Å; T161-Y165 WeakPolarHBondContact O-CB 3.14Å; T161-Y165 PolarHBondContact O-N 2.8Å; Y165-S167 VanDerWaalsContact C-N 3.31Å; Y165-S167 PolarHBondContact O-N 2.89Å; Y165-W168 AromaticContact CD2-CE3 4Å; Y165-W168 HydrophobicContact CD2-CE3 4Å; Y165-W168 HydrophobicContact CD2-CZ3 4.19Å; Y165-W168 HydrophobicContact CE2-CE3 4.21Å; Y165-W168 HydrophobicContact CE2-CZ3 4.07Å; Y165-W168 WeakPolarHBondContact O-CA 3.36Å; Y165-W168 PolarHBondContact O-N 2.85Å; Y165-S169 PolarHBondContact O-N 3.5Å; Y165-S169 PolarHBondContact O-OG 2.85Å; Y165-S169 VanDerWaalsContact O-OG 3.07Å; Y165-P193 WeakPolarHBondContact CE1-O 3.36Å; Y165-P193 WeakPolarHBondContact OH-CB 3.28Å; Y165-P193 WeakPolarHBondContact OH-CD 3.4Å; Y165-P193 PolarHBondContact OH-O 3.38Å; Y165-I195 HydrophobicContact CD1-CB 4.44Å; Y165-I195 HydrophobicContact CD1-CG1 3.86Å; Y165-I195 HydrophobicContact CE1-CG1 4.12Å; Y165-A198 HydrophobicContact CD1-CB 4.45Å; Y165-A198 HydrophobicContact CD2-CB 3.81Å; Y165-A198 HydrophobicContact CE1-CB 4.09Å; Y165-A198 HydrophobicContact CE2-CB 3.46Å; Y165-A198 VanDerWaalsContact CE2-CB 3.46Å; Y165-A198 HydrophobicContact CG-CB 4.3Å; Y165-M199 HydrophobicContact CG-CE 4.38Å |
| 166 | V | 93.9 | Very high | 93.8 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.4 | -44.8 | -173.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | T164 W168 S169 S170 I195 | T164-V166 PolarHBondContact O-N 2.6Å; V166-W168 VanDerWaalsContact C-N 3.3Å; V166-W168 PolarHBondContact O-N 3.29Å; V166-S169 PolarHBondContact O-OG 3.06Å; V166-S170 WeakPolarHBondContact O-CB 3.45Å; V166-S170 PolarHBondContact O-N 3.21Å; V166-S170 VanDerWaalsContact O-N 3.16Å; V166-S170 PolarHBondContact O-OG 3.23Å; V166-I195 HydrophobicContact CG2-CD1 4.2Å |
| 167 | S | 93.2 | Very high | 93.8 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 38% | 0.378 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -34.1 | 177.8 | 80.2 | 0 | 0 | 0 | 0 | 112.4 | T164 Y165 R171 | T164-S167 PolarHBondContact O-N 3.24Å; T164-S167 PolarHBondContact O-OG 3.41Å; Y165-S167 VanDerWaalsContact C-N 3.31Å; Y165-S167 PolarHBondContact O-N 2.89Å; S167-R171 WeakPolarHBondContact O-CB 3.13Å; S167-R171 VanDerWaalsContact O-CG 3.29Å; S167-R171 WeakPolarHBondContact O-CG 3.42Å; S167-R171 PolarHBondContact O-N 2.9Å; S167-R171 PolarHBondContact O-NE 3.36Å; S167-R171 PolarHBondContact OG-NH2 2.93Å; S167-R171 VanDerWaalsContact OG-NH2 3.12Å |
| 168 | W | 94.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.3 | -50.9 | -179.2 | 166.5 | 80.1 | 0 | 0 | 0 | 110.9 | M154 F155 K158 V160 T164 Y165 V166 S170 R171 V172 | M154-W168 HydrophobicContact CB-CH2 4.36Å; M154-W168 HydrophobicContact CB-CZ2 3.91Å; F155-W168 HydrophobicContact CD1-CH2 4.21Å; F155-W168 HydrophobicContact CD1-CZ3 4.36Å; F155-W168 AromaticContact CD2-CH2 3.81Å; F155-W168 HydrophobicContact CD2-CH2 3.81Å; F155-W168 HydrophobicContact CD2-CZ3 4.21Å; F155-W168 HydrophobicContact CE1-CH2 4.28Å; F155-W168 AromaticContact CE1-CZ3 3.97Å; F155-W168 HydrophobicContact CE1-CZ3 3.97Å; F155-W168 AromaticContact CE2-CH2 3.89Å; F155-W168 HydrophobicContact CE2-CH2 3.89Å; F155-W168 AromaticContact CE2-CZ3 3.82Å; F155-W168 HydrophobicContact CE2-CZ3 3.82Å; F155-W168 HydrophobicContact CG-CH2 4.01Å; F155-W168 HydrophobicContact CG-CZ3 4.49Å; F155-W168 HydrophobicContact CZ-CH2 4.14Å; F155-W168 AromaticContact CZ-CZ3 3.71Å; F155-W168 HydrophobicContact CZ-CZ3 3.71Å; K158-W168 HydrophobicContact CB-CZ2 3.98Å; K158-W168 HydrophobicContact CG-CD2 4.46Å; K158-W168 HydrophobicContact CG-CZ2 4.29Å; V160-W168 HydrophobicContact CG1-CB 4.5Å; V160-W168 HydrophobicContact CG1-CD2 3.56Å; V160-W168 HydrophobicContact CG1-CE3 3.51Å; V160-W168 HydrophobicContact CG1-CG 4.02Å; V160-W168 HydrophobicContact CG1-CH2 4.37Å; V160-W168 HydrophobicContact CG1-CZ2 4.43Å; V160-W168 HydrophobicContact CG1-CZ3 3.94Å; T164-W168 WeakPolarHBondContact O-CB 3.38Å; T164-W168 PolarHBondContact O-N 3Å; Y165-W168 AromaticContact CD2-CE3 4Å; Y165-W168 HydrophobicContact CD2-CE3 4Å; Y165-W168 HydrophobicContact CD2-CZ3 4.19Å; Y165-W168 HydrophobicContact CE2-CE3 4.21Å; Y165-W168 HydrophobicContact CE2-CZ3 4.07Å; Y165-W168 WeakPolarHBondContact O-CA 3.36Å; Y165-W168 PolarHBondContact O-N 2.85Å; V166-W168 VanDerWaalsContact C-N 3.3Å; V166-W168 PolarHBondContact O-N 3.29Å; W168-S170 VanDerWaalsContact C-N 3.35Å; W168-S170 PolarHBondContact O-N 3.44Å; W168-R171 PolarHBondContact O-N 3.31Å; W168-V172 HydrophobicContact CD2-CG2 4.31Å; W168-V172 HydrophobicContact CG-CG2 4.44Å; W168-V172 HydrophobicContact CZ2-CG2 4.25Å; W168-V172 VanDerWaalsContact O-CG2 3.32Å; W168-V172 WeakPolarHBondContact O-CG2 3.42Å; W168-V172 PolarHBondContact O-N 3.46Å |
| 169 | S | 95.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | -176.1 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | Y165 V166 V172 M173 | Y165-S169 PolarHBondContact O-N 3.5Å; Y165-S169 PolarHBondContact O-OG 2.85Å; Y165-S169 VanDerWaalsContact O-OG 3.07Å; V166-S169 PolarHBondContact O-OG 3.06Å; S169-V172 PolarHBondContact O-N 3.18Å; S169-M173 WeakPolarHBondContact O-CB 3.47Å; S169-M173 PolarHBondContact O-N 2.97Å |
| 170 | S | 95.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 112 | V166 W168 V172 M173 E174 | V166-S170 WeakPolarHBondContact O-CB 3.45Å; V166-S170 PolarHBondContact O-N 3.21Å; V166-S170 VanDerWaalsContact O-N 3.16Å; V166-S170 PolarHBondContact O-OG 3.23Å; W168-S170 VanDerWaalsContact C-N 3.35Å; W168-S170 PolarHBondContact O-N 3.44Å; S170-V172 PolarHBondContact O-N 2.7Å; S170-M173 PolarHBondContact O-N 3.47Å; S170-E174 WeakPolarHBondContact O-CB 3.44Å; S170-E174 PolarHBondContact O-N 3.4Å |
| 171 | R | 94.1 | Very high | 93.8 | Very high | 142 Ų | 142 | 70.5 Ų | 70.5 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.9 | -78 | -177 | -68.6 | -165.1 | -3.8 | 112.8 | S167 W168 R175 | S167-R171 WeakPolarHBondContact O-CB 3.13Å; S167-R171 VanDerWaalsContact O-CG 3.29Å; S167-R171 WeakPolarHBondContact O-CG 3.42Å; S167-R171 PolarHBondContact O-N 2.9Å; S167-R171 PolarHBondContact O-NE 3.36Å; S167-R171 PolarHBondContact OG-NH2 2.93Å; S167-R171 VanDerWaalsContact OG-NH2 3.12Å; W168-R171 PolarHBondContact O-N 3.31Å; R171-R175 WeakPolarHBondContact O-CB 3.35Å; R171-R175 WeakPolarHBondContact O-CG 3.46Å; R171-R175 PolarHBondContact O-N 3.1Å |
| 172 | V | 95.1 | Very high | 93.8 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | V151 M154 W168 S169 S170 R175 F176 | V151-V172 HydrophobicContact CB-CG1 4.47Å; V151-V172 HydrophobicContact CG1-CG1 4.46Å; V151-V172 HydrophobicContact CG2-CG1 4.07Å; M154-V172 HydrophobicContact CB-CG1 4.34Å; M154-V172 HydrophobicContact CG-CG1 3.87Å; W168-V172 HydrophobicContact CD2-CG2 4.31Å; W168-V172 HydrophobicContact CG-CG2 4.44Å; W168-V172 HydrophobicContact CZ2-CG2 4.25Å; W168-V172 VanDerWaalsContact O-CG2 3.32Å; W168-V172 WeakPolarHBondContact O-CG2 3.42Å; W168-V172 PolarHBondContact O-N 3.46Å; S169-V172 PolarHBondContact O-N 3.18Å; S170-V172 PolarHBondContact O-N 2.7Å; V172-R175 PolarHBondContact O-N 3.16Å; V172-F176 HydrophobicContact CG1-CD2 3.77Å; V172-F176 HydrophobicContact CG1-CE2 3.53Å; V172-F176 VanDerWaalsContact O-CD2 3.29Å; V172-F176 WeakPolarHBondContact O-CD2 3.43Å; V172-F176 PolarHBondContact O-N 3.3Å |
| 173 | M | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 176.4 | -167.4 | 179.3 | -164.1 | 0 | 0 | 111.5 | I144 I147 V148 V151 S169 S170 R175 F176 M177 M184 D188 L192 | I144-M173 HydrophobicContact CG2-CE 4.15Å; I147-M173 HydrophobicContact CG2-CG 3.85Å; V148-M173 HydrophobicContact CG2-CE 4.05Å; V151-M173 HydrophobicContact CG2-CB 4.02Å; V151-M173 HydrophobicContact CG2-CG 4.43Å; S169-M173 WeakPolarHBondContact O-CB 3.47Å; S169-M173 PolarHBondContact O-N 2.97Å; S170-M173 PolarHBondContact O-N 3.47Å; M173-R175 VanDerWaalsContact C-N 3.31Å; M173-R175 PolarHBondContact O-N 2.94Å; M173-F176 PolarHBondContact O-N 2.89Å; M173-F176 VanDerWaalsContact O-N 3.09Å; M173-M177 HydrophobicContact CE-CE 3.52Å; M173-M177 HydrophobicContact CG-CE 4.05Å; M173-M177 HydrophobicContact CG-CG 4.44Å; M173-M177 WeakPolarHBondContact O-CG 3.4Å; M173-M177 PolarHBondContact O-N 2.92Å; M173-M177 HydrophobicContact SD-CE 4.13Å; M173-M184 HydrophobicContact CB-CE 4.32Å; M173-M184 HydrophobicContact CB-SD 4.1Å; M173-M184 HydrophobicContact CG-CE 4.36Å; M173-M184 HydrophobicContact CG-SD 4.2Å; M173-M184 HydrophobicContact SD-CE 3.75Å; M173-M184 HydrophobicContact SD-SD 4.3Å; M173-D188 HydrophobicContact CE-CB 4.13Å; M173-D188 WeakPolarHBondContact CE-O 3.18Å; M173-L192 HydrophobicContact CB-CD2 4.13Å; M173-L192 HydrophobicContact CG-CD2 4.33Å; M173-L192 HydrophobicContact SD-CD1 4.06Å; M173-L192 HydrophobicContact SD-CD2 3.73Å; M173-L192 HydrophobicContact SD-CG 3.72Å |
| 174 | E | 95.9 | Very high | 93.8 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 176.9 | -176 | -175.8 | -164.3 | 0 | 0 | 111.4 | S170 F176 M177 N178 M184 | S170-E174 WeakPolarHBondContact O-CB 3.44Å; S170-E174 PolarHBondContact O-N 3.4Å; E174-F176 VanDerWaalsContact C-N 3.33Å; E174-F176 PolarHBondContact O-N 2.74Å; E174-M177 WeakPolarHBondContact O-CB 3.49Å; E174-M177 PolarHBondContact O-N 3.48Å; E174-N178 WeakPolarHBondContact O-CB 3.41Å; E174-N178 VanDerWaalsContact O-CG 3.25Å; E174-N178 PolarHBondContact O-N 3.25Å; E174-N178 PolarHBondContact O-ND2 2.98Å; E174-M184 HydrophobicContact CB-CB 4.46Å; E174-M184 HydrophobicContact CB-SD 3.8Å; E174-M184 HydrophobicContact CG-CB 4.43Å |
| 175 | R | 94.5 | Very high | 93.7 | Very high | 142 Ų | 142 | 66.9 Ų | 66.9 | 54% | 0.536 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 177 | -73.4 | 178.1 | 69.1 | 175.7 | 1.6 | 111.9 | R171 V172 M173 N178 C179 W237 | R171-R175 WeakPolarHBondContact O-CB 3.35Å; R171-R175 WeakPolarHBondContact O-CG 3.46Å; R171-R175 PolarHBondContact O-N 3.1Å; V172-R175 PolarHBondContact O-N 3.16Å; M173-R175 VanDerWaalsContact C-N 3.31Å; M173-R175 PolarHBondContact O-N 2.94Å; R175-N178 PolarHBondContact O-N 3.36Å; R175-C179 PolarHBondContact O-N 3.47Å; R175-C179 PolarHBondContact O-SG 3.29Å; R175-C179 VanDerWaalsContact O-SG 3.36Å; R175-W237 HydrophobicContact CB-CH2 3.43Å; R175-W237 VanDerWaalsContact CB-CH2 3.43Å; R175-W237 HydrophobicContact CB-CZ2 4.28Å; R175-W237 HydrophobicContact CB-CZ3 3.84Å |
| 176 | F | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.3 | -78.9 | -52.9 | 0 | 0 | 0 | 111.7 | I147 V151 M154 V172 M173 E174 N178 C179 F180 I230 I233 A234 W237 | I147-F176 HydrophobicContact CG2-CB 3.85Å; V151-F176 HydrophobicContact CG2-CD2 4.13Å; V151-F176 HydrophobicContact CG2-CE2 4.48Å; M154-F176 HydrophobicContact CG-CE2 3.91Å; M154-F176 HydrophobicContact CG-CZ 4.02Å; M154-F176 HydrophobicContact SD-CZ 4.21Å; V172-F176 HydrophobicContact CG1-CD2 3.77Å; V172-F176 HydrophobicContact CG1-CE2 3.53Å; V172-F176 VanDerWaalsContact O-CD2 3.29Å; V172-F176 WeakPolarHBondContact O-CD2 3.43Å; V172-F176 PolarHBondContact O-N 3.3Å; M173-F176 PolarHBondContact O-N 2.89Å; M173-F176 VanDerWaalsContact O-N 3.09Å; E174-F176 VanDerWaalsContact C-N 3.33Å; E174-F176 PolarHBondContact O-N 2.74Å; F176-N178 VanDerWaalsContact C-N 3.3Å; F176-N178 PolarHBondContact O-N 3.26Å; F176-C179 WeakPolarHBondContact O-CB 3.4Å; F176-C179 PolarHBondContact O-N 2.71Å; F176-C179 VanDerWaalsContact O-N 3.14Å; F176-F180 WeakPolarHBondContact O-CD2 3.38Å; F176-F180 PolarHBondContact O-N 3.35Å; F176-I230 HydrophobicContact CB-CD1 4.11Å; F176-I230 HydrophobicContact CD1-CD1 3.05Å; F176-I230 HydrophobicContact CD1-CG1 4.34Å; F176-I230 HydrophobicContact CD2-CD1 4.43Å; F176-I230 HydrophobicContact CE1-CD1 3.36Å; F176-I230 HydrophobicContact CE1-CG1 4.35Å; F176-I230 HydrophobicContact CG-CD1 3.65Å; F176-I230 HydrophobicContact CZ-CD1 4.19Å; F176-I233 HydrophobicContact CD1-CG2 4.01Å; F176-I233 HydrophobicContact CE1-CB 4.15Å; F176-I233 HydrophobicContact CE1-CG2 3.68Å; F176-A234 HydrophobicContact CE1-CB 4.5Å; F176-A234 HydrophobicContact CZ-CB 4.15Å; F176-W237 HydrophobicContact CD1-CE3 4.25Å; F176-W237 AromaticContact CD1-CH2 3.69Å; F176-W237 HydrophobicContact CD1-CH2 3.69Å; F176-W237 AromaticContact CD1-CZ3 3.48Å; F176-W237 HydrophobicContact CD1-CZ3 3.48Å; F176-W237 VanDerWaalsContact CD1-CZ3 3.48Å; F176-W237 HydrophobicContact CD2-CZ3 4Å; F176-W237 HydrophobicContact CE1-CD2 4.5Å; F176-W237 AromaticContact CE1-CE3 3.73Å; F176-W237 HydrophobicContact CE1-CE3 3.73Å; F176-W237 AromaticContact CE1-CH2 3.98Å; F176-W237 HydrophobicContact CE1-CH2 3.98Å; F176-W237 AromaticContact CE1-CZ3 3.43Å; F176-W237 HydrophobicContact CE1-CZ3 3.43Å; F176-W237 VanDerWaalsContact CE1-CZ3 3.43Å; F176-W237 HydrophobicContact CE2-CE3 4.29Å; F176-W237 AromaticContact CE2-CZ3 3.93Å; F176-W237 HydrophobicContact CE2-CZ3 3.93Å; F176-W237 HydrophobicContact CG-CH2 4.15Å; F176-W237 AromaticContact CG-CZ3 3.8Å; F176-W237 HydrophobicContact CG-CZ3 3.8Å; F176-W237 AromaticContact CZ-CE3 3.76Å; F176-W237 HydrophobicContact CZ-CE3 3.76Å; F176-W237 AromaticContact CZ-CZ3 3.67Å; F176-W237 HydrophobicContact CZ-CZ3 3.67Å |
| 177 | M | 94.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.3 | -46.9 | 174.4 | -64.7 | -134.4 | 177.3 | 0 | 0 | 111.4 | I144 I147 M173 E174 C179 F180 R181 L182 M184 D188 | I144-M177 HydrophobicContact CD1-CE 3.59Å; I147-M177 HydrophobicContact CD1-CG 4.1Å; I147-M177 HydrophobicContact CG2-CG 4.42Å; M173-M177 HydrophobicContact CE-CE 3.52Å; M173-M177 HydrophobicContact CG-CE 4.05Å; M173-M177 HydrophobicContact CG-CG 4.44Å; M173-M177 WeakPolarHBondContact O-CG 3.4Å; M173-M177 PolarHBondContact O-N 2.92Å; M173-M177 HydrophobicContact SD-CE 4.13Å; E174-M177 WeakPolarHBondContact O-CB 3.49Å; E174-M177 PolarHBondContact O-N 3.48Å; M177-C179 VanDerWaalsContact C-N 3.28Å; M177-C179 PolarHBondContact O-N 2.85Å; M177-F180 CarbonylContact O-C 3.55Å; M177-F180 WeakPolarHBondContact O-CA 3.36Å; M177-F180 PolarHBondContact O-N 3.25Å; M177-R181 PolarHBondContact O-N 3.12Å; M177-L182 CarbonylContact C-O 3.39Å; M177-L182 HydrophobicContact CB-CB 4.08Å; M177-L182 WeakPolarHBondContact CB-O 3.4Å; M177-L182 PolarHBondContact O-N 2.91Å; M177-L182 HydrophobicContact SD-CB 4.42Å; M177-M184 HydrophobicContact CE-CB 4.45Å; M177-M184 HydrophobicContact CE-CG 4.16Å; M177-M184 HydrophobicContact CG-CB 4.29Å; M177-M184 VanDerWaalsContact SD-CA 3.52Å; M177-M184 HydrophobicContact SD-CB 3.74Å; M177-M184 HydrophobicContact SD-CG 4.1Å; M177-D188 HydrophobicContact CE-CB 3.62Å |
| 178 | N | 93.4 | Very high | 93.1 | Very high | 89 Ų | 89 | 71.3 Ų | 71.3 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -35.1 | 178.8 | -73.9 | -23.9 | 0 | 0 | 0 | 112.5 | E174 R175 F176 F180 R181 L182 | E174-N178 WeakPolarHBondContact O-CB 3.41Å; E174-N178 VanDerWaalsContact O-CG 3.25Å; E174-N178 PolarHBondContact O-N 3.25Å; E174-N178 PolarHBondContact O-ND2 2.98Å; R175-N178 PolarHBondContact O-N 3.36Å; F176-N178 VanDerWaalsContact C-N 3.3Å; F176-N178 PolarHBondContact O-N 3.26Å; N178-F180 PolarHBondContact O-N 3.35Å; N178-R181 PolarHBondContact O-N 2.98Å; N178-L182 PolarHBondContact OD1-O 3.15Å |
| 179 | C | 91.7 | Very high | 92.9 | Very high | 64 Ų | 64 | 72.8 Ų | 72.8 | 43% | 0.432 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -25.5 | 173.2 | -70.2 | 0 | 0 | 0 | 0 | 113.1 | R175 F176 M177 I233 | R175-C179 PolarHBondContact O-N 3.47Å; R175-C179 PolarHBondContact O-SG 3.29Å; R175-C179 VanDerWaalsContact O-SG 3.36Å; F176-C179 WeakPolarHBondContact O-CB 3.4Å; F176-C179 PolarHBondContact O-N 2.71Å; F176-C179 VanDerWaalsContact O-N 3.14Å; M177-C179 VanDerWaalsContact C-N 3.28Å; M177-C179 PolarHBondContact O-N 2.85Å; C179-I233 HydrophobicContact CB-CD1 3.78Å |
| 180 | F | 88.9 | Confident | 92.6 | Very high | 64 Ų | 64 | 76 Ų | 76 | 28% | 0.281 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 12.7 | 173.8 | -61.2 | -74.5 | 0 | 0 | 0 | 113.4 | I147 F176 M177 N178 L182 I230 I233 | I147-F180 HydrophobicContact CD1-CD2 4.09Å; I147-F180 HydrophobicContact CG1-CD2 4.07Å; I147-F180 HydrophobicContact CG1-CE2 4.06Å; F176-F180 WeakPolarHBondContact O-CD2 3.38Å; F176-F180 PolarHBondContact O-N 3.35Å; M177-F180 CarbonylContact O-C 3.55Å; M177-F180 WeakPolarHBondContact O-CA 3.36Å; M177-F180 PolarHBondContact O-N 3.25Å; N178-F180 PolarHBondContact O-N 3.35Å; F180-L182 HydrophobicContact CB-CD1 4.16Å; F180-L182 HydrophobicContact CB-CG 4.11Å; F180-L182 PolarHBondContact O-N 2.94Å; F180-I230 HydrophobicContact CE2-CB 4.48Å; F180-I230 HydrophobicContact CE2-CD1 3.64Å; F180-I230 HydrophobicContact CE2-CG1 4.41Å; F180-I230 HydrophobicContact CZ-CB 4.07Å; F180-I230 HydrophobicContact CZ-CD1 3.99Å; F180-I230 HydrophobicContact CZ-CG1 4.48Å; F180-I233 HydrophobicContact CZ-CD1 4.47Å |
| 181 | R | 90.9 | Very high | 92.4 | Very high | 239 Ų | 239 | 77.4 Ų | 77.4 | 90% | 0.902 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 33.6 | -176.5 | -53 | 179.2 | 177.9 | 179.7 | -1.6 | 112.8 | M177 N178 | M177-R181 PolarHBondContact O-N 3.12Å; N178-R181 PolarHBondContact O-N 2.98Å |
| 182 | L | 91.7 | Very high | 92.3 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 142.9 | 173.8 | -59.9 | 176.8 | 0 | 0 | 0 | 109.7 | C143 I147 M177 N178 F180 | C143-L182 VanDerWaalsContact SG-CD1 3.56Å; I147-L182 HydrophobicContact CD1-CD1 4.07Å; M177-L182 CarbonylContact C-O 3.39Å; M177-L182 HydrophobicContact CB-CB 4.08Å; M177-L182 WeakPolarHBondContact CB-O 3.4Å; M177-L182 PolarHBondContact O-N 2.91Å; M177-L182 HydrophobicContact SD-CB 4.42Å; N178-L182 PolarHBondContact OD1-O 3.15Å; F180-L182 HydrophobicContact CB-CD1 4.16Å; F180-L182 HydrophobicContact CB-CG 4.11Å; F180-L182 PolarHBondContact O-N 2.94Å |
| 183 | T | 93.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 70.7 Ų | 70.7 | 72% | 0.718 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -94.8 | 124.3 | 172 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | K185 | T183-K185 PolarHBondContact O-N 2.67Š|
| 184 | M | 93.5 | Very high | 92.2 | Very high | 40 Ų | 40 | 71.6 Ų | 71.6 | 20% | 0.197 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 125.5 | 175.8 | -173.6 | 172.6 | 171 | 0 | 0 | 110.6 | M173 E174 M177 D188 V189 | M173-M184 HydrophobicContact CB-CE 4.32Å; M173-M184 HydrophobicContact CB-SD 4.1Å; M173-M184 HydrophobicContact CG-CE 4.36Å; M173-M184 HydrophobicContact CG-SD 4.2Å; M173-M184 HydrophobicContact SD-CE 3.75Å; M173-M184 HydrophobicContact SD-SD 4.3Å; E174-M184 HydrophobicContact CB-CB 4.46Å; E174-M184 HydrophobicContact CB-SD 3.8Å; E174-M184 HydrophobicContact CG-CB 4.43Å; M177-M184 HydrophobicContact CE-CB 4.45Å; M177-M184 HydrophobicContact CE-CG 4.16Å; M177-M184 HydrophobicContact CG-CB 4.29Å; M177-M184 VanDerWaalsContact SD-CA 3.52Å; M177-M184 HydrophobicContact SD-CB 3.74Å; M177-M184 HydrophobicContact SD-CG 4.1Å; M184-D188 HydrophobicContact CG-CB 4.26Å; M184-V189 HydrophobicContact CE-CB 4.47Å; M184-V189 HydrophobicContact CE-CG2 3.45Å; M184-V189 VanDerWaalsContact CE-CG2 3.45Å |
| 185 | K | 91.5 | Very high | 92.2 | Very high | 140 Ų | 140 | 70.7 Ų | 70.7 | 61% | 0.609 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 158.1 | 174.5 | -59.8 | 178.1 | -177.5 | 178.1 | 0 | 109.9 | T183 I187 D188 | T183-K185 PolarHBondContact O-N 2.67Å; K185-I187 HydrophobicContact CB-CG2 4Å; K185-I187 PolarHBondContact O-N 2.99Å; K185-D188 WeakPolarHBondContact CB-OD2 3.28Å; K185-D188 PolarHBondContact N-OD2 2.88Å; K185-D188 WeakPolarHBondContact O-CB 3.43Å; K185-D188 PolarHBondContact O-N 3.5Å |
| 186 | A | 89.2 | Confident | 92.2 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 77% | 0.769 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -56.9 | -36.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D188 V189 | A186-D188 PolarHBondContact O-N 2.76Å; A186-V189 WeakPolarHBondContact O-CB 3.48Å; A186-V189 WeakPolarHBondContact O-CG2 3.37Å; A186-V189 PolarHBondContact O-N 3.09Å |
| 187 | I | 89.4 | Confident | 92.1 | Very high | 117 Ų | 117 | 65.6 Ų | 65.6 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -64.9 | -25.4 | 177.4 | -166.8 | 164.4 | 0 | 0 | 0 | 113 | K185 V189 A190 | K185-I187 HydrophobicContact CB-CG2 4Å; K185-I187 PolarHBondContact O-N 2.99Å; I187-V189 PolarHBondContact O-N 2.72Å; I187-A190 WeakPolarHBondContact O-CB 3.26Å; I187-A190 PolarHBondContact O-N 3.24Å |
| 188 | D | 90.7 | Very high | 92.2 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 10% | 0.096 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -69.4 | -23.4 | -177 | -61.6 | -41.5 | 0 | 0 | 0 | 112.2 | M173 M177 M184 K185 A186 A190 Y191 | M173-D188 HydrophobicContact CE-CB 4.13Å; M173-D188 WeakPolarHBondContact CE-O 3.18Å; M177-D188 HydrophobicContact CE-CB 3.62Å; M184-D188 HydrophobicContact CG-CB 4.26Å; K185-D188 WeakPolarHBondContact CB-OD2 3.28Å; K185-D188 PolarHBondContact N-OD2 2.88Å; K185-D188 WeakPolarHBondContact O-CB 3.43Å; K185-D188 PolarHBondContact O-N 3.5Å; A186-D188 PolarHBondContact O-N 2.76Å; D188-A190 PolarHBondContact O-N 2.77Å; D188-Y191 WeakPolarHBondContact O-CB 3.34Å; D188-Y191 WeakPolarHBondContact O-CD2 3.28Å; D188-Y191 PolarHBondContact O-N 3.48Å |
| 189 | V | 89.4 | Confident | 92.3 | Very high | 59 Ų | 59 | 62.1 Ų | 62.1 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -58.7 | -30.1 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | M184 A186 I187 Y191 L192 | M184-V189 HydrophobicContact CE-CB 4.47Å; M184-V189 HydrophobicContact CE-CG2 3.45Å; M184-V189 VanDerWaalsContact CE-CG2 3.45Å; A186-V189 WeakPolarHBondContact O-CB 3.48Å; A186-V189 WeakPolarHBondContact O-CG2 3.37Å; A186-V189 PolarHBondContact O-N 3.09Å; I187-V189 PolarHBondContact O-N 2.72Å; V189-Y191 PolarHBondContact O-N 2.81Å; V189-Y191 VanDerWaalsContact O-N 3.14Å; V189-L192 HydrophobicContact CG1-CD1 4.31Å; V189-L192 WeakPolarHBondContact O-CB 3.16Å; V189-L192 PolarHBondContact O-N 3.01Å |
| 190 | A | 89.5 | Confident | 92.4 | Very high | 71 Ų | 71 | 61 Ų | 61 | 59% | 0.587 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -65.7 | -14.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T71 I187 D188 | T71-A190 WeakPolarHBondContact CG2-O 3.48Å; I187-A190 WeakPolarHBondContact O-CB 3.26Å; I187-A190 PolarHBondContact O-N 3.24Å; D188-A190 PolarHBondContact O-N 2.77Å |
| 191 | Y | 91.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 58 Ų | 58 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -89.2 | -6.4 | 175.8 | -62.4 | -61 | 0 | 0 | 0 | 113.9 | Q140 I144 V148 D188 V189 | Q140-Y191 HydrophobicContact CB-CE1 4.12Å; Q140-Y191 HydrophobicContact CG-CD1 3.8Å; Q140-Y191 HydrophobicContact CG-CE1 3.75Å; Q140-Y191 HydrophobicContact CG-CG 4.43Å; I144-Y191 HydrophobicContact CG2-CD2 3.57Å; I144-Y191 HydrophobicContact CG2-CE2 4.18Å; I144-Y191 HydrophobicContact CG2-CG 3.77Å; V148-Y191 WeakPolarHBondContact CG2-O 3.38Å; D188-Y191 WeakPolarHBondContact O-CB 3.34Å; D188-Y191 WeakPolarHBondContact O-CD2 3.28Å; D188-Y191 PolarHBondContact O-N 3.48Å; V189-Y191 PolarHBondContact O-N 2.81Å; V189-Y191 VanDerWaalsContact O-N 3.14Å |
| 192 | L | 93.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -73 | 154.4 | 175.5 | -71.2 | 170 | 0 | 0 | 0 | 110.8 | V151 M173 V189 | V151-L192 HydrophobicContact CB-CD2 4.47Å; V151-L192 HydrophobicContact CG1-CD2 4.01Å; V151-L192 HydrophobicContact CG2-CD2 4.19Å; M173-L192 HydrophobicContact CB-CD2 4.13Å; M173-L192 HydrophobicContact CG-CD2 4.33Å; M173-L192 HydrophobicContact SD-CD1 4.06Å; M173-L192 HydrophobicContact SD-CD2 3.73Å; M173-L192 HydrophobicContact SD-CG 3.72Å; V189-L192 HydrophobicContact CG1-CD1 4.31Å; V189-L192 WeakPolarHBondContact O-CB 3.16Å; V189-L192 PolarHBondContact O-N 3.01Å |
| 193 | P | 93.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 144.3 | 174.6 | -25.6 | 34 | 0 | 0 | 0 | 112.3 | F70 L152 Y165 A198 | F70-P193 HydrophobicContact CB-CB 3.99Å; F70-P193 HydrophobicContact CB-CG 4.1Å; F70-P193 HydrophobicContact CD1-CB 4.46Å; F70-P193 CarbonylContact O-C 3.3Å; F70-P193 VanDerWaalsContact O-CA 3.22Å; F70-P193 WeakPolarHBondContact O-CA 3.36Å; L152-P193 HydrophobicContact CD2-CG 3.58Å; L152-P193 HydrophobicContact CG-CG 4.14Å; Y165-P193 WeakPolarHBondContact CE1-O 3.36Å; Y165-P193 WeakPolarHBondContact OH-CB 3.28Å; Y165-P193 WeakPolarHBondContact OH-CD 3.4Å; Y165-P193 PolarHBondContact OH-O 3.38Å; P193-A198 HydrophobicContact CB-CB 4.4Å |
| 194 | S | 94.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 153.6 | 168.6 | 73.4 | 0 | 0 | 0 | 0 | 109.8 | F70 Q72 T196 S197 A198 | F70-S194 PolarHBondContact O-N 3.26Å; Q72-S194 VanDerWaalsContact O-CB 3.3Å; Q72-S194 WeakPolarHBondContact O-CB 3.47Å; Q72-S194 PolarHBondContact O-OG 3.45Å; S194-T196 PolarHBondContact O-N 3.26Å; S194-S197 PolarHBondContact O-N 3.31Å; S194-S197 WeakPolarHBondContact OG-CB 3.5Å; S194-S197 PolarHBondContact OG-N 3.14Å; S194-S197 PolarHBondContact OG-OG 2.86Å; S194-A198 VanDerWaalsContact O-CB 3.26Å; S194-A198 WeakPolarHBondContact O-CB 3.26Å; S194-A198 PolarHBondContact O-N 3.4Å |
| 195 | I | 95.6 | Very high | 92.3 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.2 | -43.2 | 178.9 | -59 | -178.1 | 0 | 0 | 0 | 109.8 | R162 Y165 V166 A198 M199 | R162-I195 HydrophobicContact CB-CG2 4.46Å; R162-I195 HydrophobicContact CG-CG2 4.08Å; Y165-I195 HydrophobicContact CD1-CB 4.44Å; Y165-I195 HydrophobicContact CD1-CG1 3.86Å; Y165-I195 HydrophobicContact CE1-CG1 4.12Å; V166-I195 HydrophobicContact CG2-CD1 4.2Å; I195-A198 PolarHBondContact O-N 3.13Å; I195-M199 HydrophobicContact CG2-CG 4.32Å; I195-M199 VanDerWaalsContact O-CG 3.26Å; I195-M199 WeakPolarHBondContact O-CG 3.49Å; I195-M199 PolarHBondContact O-N 2.81Å |
| 196 | T | 94.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 22% | 0.221 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -54 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | S194 A198 M199 H200 | S194-T196 PolarHBondContact O-N 3.26Å; T196-A198 VanDerWaalsContact C-N 3.32Å; T196-A198 PolarHBondContact O-N 3.33Å; T196-M199 PolarHBondContact O-N 3.17Å; T196-M199 VanDerWaalsContact O-N 3.16Å; T196-H200 PolarHBondContact O-CD2 3.36Å; T196-H200 PolarHBondContact O-N 3.25Å |
| 197 | S | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | Q72 L74 S194 M199 H200 L201 | Q72-S197 PolarHBondContact O-OG 3.09Å; L74-S197 WeakPolarHBondContact CB-OG 3.28Å; L74-S197 PolarHBondContact N-OG 3.22Å; S194-S197 PolarHBondContact O-N 3.31Å; S194-S197 WeakPolarHBondContact OG-CB 3.5Å; S194-S197 PolarHBondContact OG-N 3.14Å; S194-S197 PolarHBondContact OG-OG 2.86Å; S197-M199 PolarHBondContact O-N 3.18Å; S197-H200 PolarHBondContact O-N 3.49Å; S197-L201 WeakPolarHBondContact O-CG 3.47Å; S197-L201 PolarHBondContact O-N 3.07Å; S197-L201 VanDerWaalsContact O-N 3.1Å |
| 198 | A | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F155 Y165 P193 S194 I195 T196 L201 N202 | F155-A198 HydrophobicContact CE1-CB 3.81Å; F155-A198 WeakPolarHBondContact CE1-O 3.24Å; F155-A198 HydrophobicContact CZ-CB 3.59Å; Y165-A198 HydrophobicContact CD1-CB 4.45Å; Y165-A198 HydrophobicContact CD2-CB 3.81Å; Y165-A198 HydrophobicContact CE1-CB 4.09Å; Y165-A198 HydrophobicContact CE2-CB 3.46Å; Y165-A198 VanDerWaalsContact CE2-CB 3.46Å; Y165-A198 HydrophobicContact CG-CB 4.3Å; P193-A198 HydrophobicContact CB-CB 4.4Å; S194-A198 VanDerWaalsContact O-CB 3.26Å; S194-A198 WeakPolarHBondContact O-CB 3.26Å; S194-A198 PolarHBondContact O-N 3.4Å; I195-A198 PolarHBondContact O-N 3.13Å; T196-A198 VanDerWaalsContact C-N 3.32Å; T196-A198 PolarHBondContact O-N 3.33Å; A198-L201 PolarHBondContact O-N 3.08Å; A198-N202 VanDerWaalsContact O-CB 3.29Å; A198-N202 WeakPolarHBondContact O-CB 3.49Å; A198-N202 PolarHBondContact O-N 3.24Å |
| 199 | M | 95.7 | Very high | 91.4 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.9 | -37.2 | 177.5 | -68.5 | -54.8 | 95.5 | 0 | 0 | 112 | V160 R162 Y165 I195 T196 S197 N202 N203 | V160-M199 HydrophobicContact CB-CE 4.39Å; V160-M199 HydrophobicContact CG2-CE 3.67Å; R162-M199 HydrophobicContact CG-CG 3.81Å; R162-M199 HydrophobicContact CG-SD 3.78Å; Y165-M199 HydrophobicContact CG-CE 4.38Å; I195-M199 HydrophobicContact CG2-CG 4.32Å; I195-M199 VanDerWaalsContact O-CG 3.26Å; I195-M199 WeakPolarHBondContact O-CG 3.49Å; I195-M199 PolarHBondContact O-N 2.81Å; T196-M199 PolarHBondContact O-N 3.17Å; T196-M199 VanDerWaalsContact O-N 3.16Å; S197-M199 PolarHBondContact O-N 3.18Å; M199-N202 PolarHBondContact O-N 3.48Å; M199-N203 WeakPolarHBondContact O-CB 3.2Å; M199-N203 PolarHBondContact O-N 3.07Å; M199-N203 PolarHBondContact O-ND2 3.18Å |
| 200 | H | 93.4 | Very high | 91.2 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 173.1 | -69.1 | -48 | 0 | 0 | 0 | 111.7 | L74 E76 A79 T196 S197 N203 L204 | L74-H200 PolarHBondContact O-CD2 2.86Å; L74-H200 VanDerWaalsContact O-CD2 3.32Å; L74-H200 PolarHBondContact O-NE2 3.44Å; E76-H200 HydrophobicContact CB-CB 4.43Å; E76-H200 HydrophobicContact CG-CB 4Å; A79-H200 HydrophobicContact CB-CB 4.22Å; T196-H200 PolarHBondContact O-CD2 3.36Å; T196-H200 PolarHBondContact O-N 3.25Å; S197-H200 PolarHBondContact O-N 3.49Å; H200-N203 PolarHBondContact O-N 2.98Å; H200-L204 PolarHBondContact O-N 3.26Å |
| 201 | L | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 176 | -64.6 | -177.9 | 0 | 0 | 0 | 112.3 | F70 Y83 L152 S197 A198 N203 L204 F205 | F70-L201 HydrophobicContact CD1-CD1 4.29Å; F70-L201 HydrophobicContact CE1-CD1 3.66Å; F70-L201 HydrophobicContact CE1-CD2 4.31Å; F70-L201 HydrophobicContact CE1-CG 4.17Å; F70-L201 HydrophobicContact CZ-CD1 4.1Å; Y83-L201 HydrophobicContact CD2-CD1 3.58Å; Y83-L201 HydrophobicContact CD2-CD2 3.77Å; Y83-L201 HydrophobicContact CD2-CG 4.33Å; Y83-L201 HydrophobicContact CE2-CD1 3.97Å; Y83-L201 HydrophobicContact CG-CD2 3.88Å; L152-L201 HydrophobicContact CD2-CD1 3.65Å; S197-L201 WeakPolarHBondContact O-CG 3.47Å; S197-L201 PolarHBondContact O-N 3.07Å; S197-L201 VanDerWaalsContact O-N 3.1Å; A198-L201 PolarHBondContact O-N 3.08Å; L201-N203 VanDerWaalsContact C-N 3.31Å; L201-N203 PolarHBondContact O-N 3.05Å; L201-L204 PolarHBondContact O-N 3.31Å; L201-F205 HydrophobicContact CB-CD2 4.35Å; L201-F205 HydrophobicContact CB-CE2 4.08Å; L201-F205 WeakPolarHBondContact O-CD2 3.44Å; L201-F205 WeakPolarHBondContact O-CG 3.38Å; L201-F205 PolarHBondContact O-N 2.92Å |
| 202 | N | 93.6 | Very high | 91 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 178.1 | -178.9 | 75.4 | 0 | 0 | 0 | 111.8 | F155 K158 E159 V160 A198 M199 F205 R206 | F155-N202 HydrophobicContact CD1-CB 4.39Å; K158-N202 PolarHBondContact O-OD1 3.32Å; E159-N202 WeakPolarHBondContact CA-OD1 3.43Å; V160-N202 HydrophobicContact CG2-CB 3.77Å; V160-N202 WeakPolarHBondContact CG2-OD1 3.3Å; V160-N202 PolarHBondContact N-OD1 3.48Å; V160-N202 PolarHBondContact O-ND2 3.14Å; V160-N202 PolarHBondContact O-OD1 3.24Å; A198-N202 VanDerWaalsContact O-CB 3.29Å; A198-N202 WeakPolarHBondContact O-CB 3.49Å; A198-N202 PolarHBondContact O-N 3.24Å; M199-N202 PolarHBondContact O-N 3.48Å; N202-F205 PolarHBondContact O-N 2.95Å; N202-R206 VanDerWaalsContact O-CB 3.27Å; N202-R206 WeakPolarHBondContact O-CB 3.45Å; N202-R206 PolarHBondContact O-N 3.05Å |
| 203 | N | 90 | Very high | 90.8 | Very high | 77 Ų | 77 | 28 Ų | 28 | 41% | 0.412 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 177.3 | -71.3 | -12.8 | 0 | 0 | 0 | 111.8 | M199 H200 L201 F205 R206 S207 | M199-N203 WeakPolarHBondContact O-CB 3.2Å; M199-N203 PolarHBondContact O-N 3.07Å; M199-N203 PolarHBondContact O-ND2 3.18Å; H200-N203 PolarHBondContact O-N 2.98Å; L201-N203 VanDerWaalsContact C-N 3.31Å; L201-N203 PolarHBondContact O-N 3.05Å; N203-F205 PolarHBondContact O-N 2.62Å; N203-R206 PolarHBondContact O-N 3.43Å; N203-S207 WeakPolarHBondContact O-CB 3.31Å; N203-S207 PolarHBondContact O-N 3.03Å; N203-S207 PolarHBondContact O-OG 3.45Å |
| 204 | L | 89 | Confident | 90.5 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.4 | -52.9 | 173.5 | 175.2 | 67.3 | 0 | 0 | 0 | 110.7 | I80 Y105 H200 L201 R206 S207 S208 M211 | I80-L204 HydrophobicContact CB-CD2 4.49Å; I80-L204 HydrophobicContact CD1-CB 4.22Å; I80-L204 HydrophobicContact CD1-CD1 4.23Å; I80-L204 HydrophobicContact CD1-CD2 3.96Å; I80-L204 HydrophobicContact CD1-CG 4.36Å; I80-L204 HydrophobicContact CG1-CD2 3.83Å; I80-L204 HydrophobicContact CG2-CD2 3.94Å; Y105-L204 HydrophobicContact CD2-CD1 3.74Å; Y105-L204 HydrophobicContact CE2-CD1 3.71Å; H200-L204 PolarHBondContact O-N 3.26Å; L201-L204 PolarHBondContact O-N 3.31Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.34Å; L204-S207 PolarHBondContact O-N 3.49Å; L204-S208 WeakPolarHBondContact O-CB 3.38Å; L204-S208 PolarHBondContact O-N 3.33Å; L204-M211 HydrophobicContact CD1-CG 3.93Å; L204-M211 HydrophobicContact CD2-CG 4.15Å; L204-M211 HydrophobicContact CG-CB 4.44Å; L204-M211 HydrophobicContact CG-CG 4.11Å |
| 205 | F | 91 | Very high | 90.3 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.1 | -28.9 | -176.4 | -66.5 | -48.9 | 0 | 0 | 0 | 112.8 | Y83 F155 I156 L201 N202 N203 M211 R212 V215 | Y83-F205 HydrophobicContact CD1-CZ 4.06Å; Y83-F205 HydrophobicContact CE1-CE1 4.39Å; Y83-F205 HydrophobicContact CE1-CE2 4.34Å; Y83-F205 AromaticContact CE1-CZ 3.51Å; Y83-F205 HydrophobicContact CE1-CZ 3.51Å; Y83-F205 HydrophobicContact CE2-CE2 4.23Å; Y83-F205 HydrophobicContact CE2-CZ 4.19Å; Y83-F205 AromaticContact CZ-CE2 3.95Å; Y83-F205 AromaticContact CZ-CZ 3.55Å; F155-F205 HydrophobicContact CB-CD2 3.79Å; F155-F205 HydrophobicContact CB-CE2 3.93Å; I156-F205 HydrophobicContact CG2-CD1 3.79Å; I156-F205 HydrophobicContact CG2-CD2 4.14Å; I156-F205 HydrophobicContact CG2-CE1 3.75Å; I156-F205 HydrophobicContact CG2-CE2 4.08Å; I156-F205 HydrophobicContact CG2-CG 4.01Å; I156-F205 HydrophobicContact CG2-CZ 3.91Å; L201-F205 HydrophobicContact CB-CD2 4.35Å; L201-F205 HydrophobicContact CB-CE2 4.08Å; L201-F205 WeakPolarHBondContact O-CD2 3.44Å; L201-F205 WeakPolarHBondContact O-CG 3.38Å; L201-F205 PolarHBondContact O-N 2.92Å; N202-F205 PolarHBondContact O-N 2.95Å; N203-F205 PolarHBondContact O-N 2.62Å; F205-M211 HydrophobicContact CD1-CB 4.17Å; F205-M211 HydrophobicContact CE1-CB 4.19Å; F205-R212 HydrophobicContact CB-CG 3.99Å; F205-R212 HydrophobicContact CD1-CG 4.02Å; F205-R212 HydrophobicContact CG-CG 4.38Å; F205-R212 WeakPolarHBondContact O-CD 3.28Å; F205-R212 WeakPolarHBondContact O-CG 3.33Å; F205-R212 PolarHBondContact O-NH1 3.29Å; F205-V215 HydrophobicContact CE1-CG2 3.93Å; F205-V215 HydrophobicContact CZ-CG2 4.23Å |
| 206 | R | 87.8 | Confident | 90.2 | Very high | 142 Ų | 142 | 23.8 Ų | 23.8 | 54% | 0.536 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 172.6 | -179 | 175.6 | 171.2 | 166.7 | -2.7 | 110.6 | N202 N203 L204 R212 | N202-R206 VanDerWaalsContact O-CB 3.27Å; N202-R206 WeakPolarHBondContact O-CB 3.45Å; N202-R206 PolarHBondContact O-N 3.05Å; N203-R206 PolarHBondContact O-N 3.43Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.34Å; R206-R212 PolarHBondContact O-NH1 2.94Å |
| 207 | S | 83.1 | Confident | 89.9 | Confident | 83 Ų | 83 | 22 Ų | 22 | 58% | 0.58 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -81.2 | -24.6 | -172.8 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | N203 L204 | N203-S207 WeakPolarHBondContact O-CB 3.31Å; N203-S207 PolarHBondContact O-N 3.03Å; N203-S207 PolarHBondContact O-OG 3.45Å; L204-S207 PolarHBondContact O-N 3.49Å |
| 208 | S | 85.6 | Confident | 89.7 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | trans | -117.1 | 109.7 | -176.4 | 174.6 | 0 | 0 | 0 | 0 | 113.3 | E102 L204 T210 M211 R212 | E102-S208 PolarHBondContact OE1-OG 2.84Å; E102-S208 VanDerWaalsContact OE2-CB 3.27Å; E102-S208 WeakPolarHBondContact OE2-CB 3.41Å; E102-S208 PolarHBondContact OE2-OG 2.64Å; L204-S208 WeakPolarHBondContact O-CB 3.38Å; L204-S208 PolarHBondContact O-N 3.33Å; S208-T210 VanDerWaalsContact C-N 3.31Å; S208-T210 PolarHBondContact OG-N 2.53Å; S208-M211 WeakPolarHBondContact OG-CB 3.37Å; S208-M211 WeakPolarHBondContact OG-CG 3.28Å; S208-M211 PolarHBondContact OG-N 2.85Å; S208-R212 WeakPolarHBondContact O-CG 3.42Å; S208-R212 PolarHBondContact O-N 3.17Å | ||
| 209 | C | 85.4 | Confident | 89.5 | Confident | 23 Ų | 23 | 22.2 Ų | 22.2 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.2 | -35.6 | 168.5 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | R212 R213 S297 | C209-R212 WeakPolarHBondContact O-CB 3.4Å; C209-R212 PolarHBondContact O-N 2.73Å; C209-R212 PolarHBondContact SG-NH2 3.19Å; C209-R213 WeakPolarHBondContact O-CB 3.4Å; C209-R213 VanDerWaalsContact O-CG 3.24Å; C209-R213 WeakPolarHBondContact O-CG 3.4Å; C209-R213 PolarHBondContact O-N 3.41Å; C209-S297 WeakPolarHBondContact SG-CA 3.32Å |
| 210 | T | 84.6 | Confident | 89.3 | Confident | 27 Ų | 27 | 22.3 Ų | 22.3 | 17% | 0.166 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | -176.2 | -65 | 0 | 0 | 0 | 0 | 110.9 | V14 L99 E102 S208 R212 R213 Y214 | V14-T210 VanDerWaalsContact CG1-OG1 3.31Å; V14-T210 WeakPolarHBondContact CG1-OG1 3.18Å; V14-T210 HydrophobicContact CG2-CG2 4.22Å; V14-T210 WeakPolarHBondContact CG2-OG1 3.31Å; L99-T210 HydrophobicContact CD2-CG2 3.72Å; E102-T210 WeakPolarHBondContact OE1-CB 3.21Å; E102-T210 WeakPolarHBondContact OE1-CG2 3.45Å; S208-T210 VanDerWaalsContact C-N 3.31Å; S208-T210 PolarHBondContact OG-N 2.53Å; T210-R212 PolarHBondContact O-N 2.85Å; T210-R213 WeakPolarHBondContact O-CB 3.48Å; T210-R213 PolarHBondContact O-N 2.91Å; T210-Y214 WeakPolarHBondContact O-CB 2.85Å; T210-Y214 PolarHBondContact O-N 3.39Å |
| 211 | M | 86.5 | Confident | 89 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 170.1 | -74.7 | -47.6 | -48.4 | 0 | 0 | 112.5 | M84 L99 E102 F107 L204 F205 S208 R213 Y214 V215 | M84-M211 HydrophobicContact CE-CE 3.64Å; M84-M211 HydrophobicContact CG-CE 4.38Å; M84-M211 HydrophobicContact SD-CE 3.24Å; M84-M211 WeakPolarHBondContact SD-CE 3.35Å; L99-M211 HydrophobicContact CD1-CE 4.21Å; L99-M211 HydrophobicContact CD1-SD 3.61Å; L99-M211 HydrophobicContact CD2-SD 3.95Å; L99-M211 HydrophobicContact CG-SD 4.44Å; E102-M211 HydrophobicContact CG-CG 4.29Å; E102-M211 HydrophobicContact CG-SD 4.23Å; E102-M211 WeakPolarHBondContact OE1-CG 2.98Å; E102-M211 PolarHBondContact OE1-N 2.9Å; F107-M211 HydrophobicContact CE2-SD 3.92Å; F107-M211 HydrophobicContact CZ-CE 4.41Å; F107-M211 HydrophobicContact CZ-SD 3.72Å; L204-M211 HydrophobicContact CD1-CG 3.93Å; L204-M211 HydrophobicContact CD2-CG 4.15Å; L204-M211 HydrophobicContact CG-CB 4.44Å; L204-M211 HydrophobicContact CG-CG 4.11Å; F205-M211 HydrophobicContact CD1-CB 4.17Å; F205-M211 HydrophobicContact CE1-CB 4.19Å; S208-M211 WeakPolarHBondContact OG-CB 3.37Å; S208-M211 WeakPolarHBondContact OG-CG 3.28Å; S208-M211 PolarHBondContact OG-N 2.85Å; M211-R213 VanDerWaalsContact C-N 3.35Å; M211-R213 PolarHBondContact O-N 3.15Å; M211-Y214 PolarHBondContact O-N 3.33Å; M211-V215 WeakPolarHBondContact O-CG2 3.37Å; M211-V215 PolarHBondContact O-N 2.88Å |
| 212 | R | 90.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 1% | 0.011 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 175.8 | -72.5 | -167.4 | -58.1 | -117.8 | 5.6 | 111.8 | I156 F205 R206 S208 C209 T210 L216 I294 Y296 | I156-R212 HydrophobicContact CB-CB 4.5Å; I156-R212 HydrophobicContact CB-CG 4.21Å; F205-R212 HydrophobicContact CB-CG 3.99Å; F205-R212 HydrophobicContact CD1-CG 4.02Å; F205-R212 HydrophobicContact CG-CG 4.38Å; F205-R212 WeakPolarHBondContact O-CD 3.28Å; F205-R212 WeakPolarHBondContact O-CG 3.33Å; F205-R212 PolarHBondContact O-NH1 3.29Å; R206-R212 PolarHBondContact O-NH1 2.94Å; S208-R212 WeakPolarHBondContact O-CG 3.42Å; S208-R212 PolarHBondContact O-N 3.17Å; C209-R212 WeakPolarHBondContact O-CB 3.4Å; C209-R212 PolarHBondContact O-N 2.73Å; C209-R212 PolarHBondContact SG-NH2 3.19Å; T210-R212 PolarHBondContact O-N 2.85Å; R212-L216 VanDerWaalsContact O-CB 3.26Å; R212-L216 WeakPolarHBondContact O-CB 3.19Å; R212-L216 PolarHBondContact O-N 3.44Å; R212-I294 HydrophobicContact CB-CG2 3.79Å; R212-I294 VanDerWaalsContact CB-O 3.3Å; R212-I294 WeakPolarHBondContact CB-O 3.48Å; R212-I294 PolarHBondContact NE-O 2.92Å; R212-Y296 PolarHBondContact NH2-O 2.88Å; R212-Y296 VanDerWaalsContact NH2-O 3.12Å |
| 213 | R | 89 | Confident | 88.5 | Confident | 12 Ų | 12 | 21.8 Ų | 21.8 | 5% | 0.045 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.6 | -46.9 | 176.2 | -72.4 | 169 | -167.1 | 176.9 | 4.2 | 111.4 | I9 L10 L12 P13 C209 T210 M211 L216 V217 I295 | I9-R213 HydrophobicContact CD1-CB 3.95Å; I9-R213 HydrophobicContact CD1-CG 4.1Å; I9-R213 HydrophobicContact CG1-CB 4.06Å; I9-R213 HydrophobicContact CG1-CG 4.2Å; L10-R213 HydrophobicContact CD2-CB 4.28Å; L12-R213 PolarHBondContact O-NH1 3.07Å; P13-R213 PolarHBondContact O-NH1 3.26Å; C209-R213 WeakPolarHBondContact O-CB 3.4Å; C209-R213 VanDerWaalsContact O-CG 3.24Å; C209-R213 WeakPolarHBondContact O-CG 3.4Å; C209-R213 PolarHBondContact O-N 3.41Å; T210-R213 WeakPolarHBondContact O-CB 3.48Å; T210-R213 PolarHBondContact O-N 2.91Å; M211-R213 VanDerWaalsContact C-N 3.35Å; M211-R213 PolarHBondContact O-N 3.15Å; R213-L216 WeakPolarHBondContact O-CB 3.23Å; R213-L216 PolarHBondContact O-N 3.43Å; R213-V217 WeakPolarHBondContact O-CG2 3.44Å; R213-V217 PolarHBondContact O-N 3.43Å; R213-I295 HydrophobicContact CG-CG2 4.22Å; R213-I295 VanDerWaalsContact CZ-O 3.24Å; R213-I295 PolarHBondContact NE-O 2.83Å; R213-I295 PolarHBondContact NH2-O 2.88Å |
| 214 | Y | 86.9 | Confident | 88.2 | Confident | 8 Ų | 8 | 20.6 Ų | 20.6 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | -178.7 | -172.9 | -90 | 0 | 0 | 0 | 112 | M84 I87 M93 L99 T210 M211 L216 V217 A218 | M84-Y214 HydrophobicContact CE-CD1 3.68Å; M84-Y214 HydrophobicContact CE-CE1 3.34Å; I87-Y214 HydrophobicContact CG2-CE1 4.3Å; M93-Y214 HydrophobicContact CB-CE1 4.24Å; M93-Y214 HydrophobicContact CB-CE2 4.37Å; M93-Y214 WeakPolarHBondContact CB-OH 3.34Å; M93-Y214 HydrophobicContact CE-CD1 3.63Å; M93-Y214 HydrophobicContact CE-CD2 3.95Å; M93-Y214 HydrophobicContact CE-CE1 3.33Å; M93-Y214 HydrophobicContact CE-CE2 3.69Å; M93-Y214 HydrophobicContact CE-CG 3.97Å; M93-Y214 VanDerWaalsContact CE-CZ 3.42Å; M93-Y214 HydrophobicContact CG-CE1 3.86Å; M93-Y214 WeakPolarHBondContact CG-OH 3.44Å; M93-Y214 HydrophobicContact SD-CE1 4.45Å; L99-Y214 HydrophobicContact CD1-CD2 4.44Å; L99-Y214 HydrophobicContact CD1-CE2 4.45Å; T210-Y214 WeakPolarHBondContact O-CB 2.85Å; T210-Y214 PolarHBondContact O-N 3.39Å; M211-Y214 PolarHBondContact O-N 3.33Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.14Å; Y214-V217 PolarHBondContact O-N 3Å; Y214-A218 PolarHBondContact O-N 3.02Å |
| 215 | V | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.3 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | Y83 I87 I156 F205 M211 V217 A218 V219 | Y83-V215 HydrophobicContact CE1-CG1 4.29Å; Y83-V215 HydrophobicContact CE1-CG2 3.7Å; I87-V215 HydrophobicContact CD1-CG1 4.07Å; I156-V215 HydrophobicContact CD1-CB 4.28Å; I156-V215 HydrophobicContact CD1-CG1 4.02Å; I156-V215 HydrophobicContact CG2-CB 3.93Å; I156-V215 HydrophobicContact CG2-CG1 3.77Å; I156-V215 HydrophobicContact CG2-CG2 4.42Å; F205-V215 HydrophobicContact CE1-CG2 3.93Å; F205-V215 HydrophobicContact CZ-CG2 4.23Å; M211-V215 WeakPolarHBondContact O-CG2 3.37Å; M211-V215 PolarHBondContact O-N 2.88Å; V215-V217 PolarHBondContact O-N 3.42Å; V215-A218 WeakPolarHBondContact O-CB 3.4Å; V215-A218 PolarHBondContact O-N 3.37Å; V215-V219 HydrophobicContact CG1-CG2 4.18Å; V215-V219 VanDerWaalsContact O-CG2 3.28Å; V215-V219 WeakPolarHBondContact O-CG2 3.4Å; V215-V219 PolarHBondContact O-N 3.35Å |
| 216 | L | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -46 | 176.8 | -177.1 | 67.3 | 0 | 0 | 0 | 111.9 | L6 I9 I156 R212 R213 Y214 A218 V219 D220 I235 L238 Y291 I294 I295 | L6-L216 HydrophobicContact CD1-CD1 4.46Å; L6-L216 HydrophobicContact CD1-CD2 4.08Å; L6-L216 HydrophobicContact CD1-CG 3.96Å; I9-L216 HydrophobicContact CD1-CD2 3.99Å; I156-L216 HydrophobicContact CD1-CB 4.01Å; I156-L216 HydrophobicContact CD1-CD1 4.29Å; R212-L216 VanDerWaalsContact O-CB 3.26Å; R212-L216 WeakPolarHBondContact O-CB 3.19Å; R212-L216 PolarHBondContact O-N 3.44Å; R213-L216 WeakPolarHBondContact O-CB 3.23Å; R213-L216 PolarHBondContact O-N 3.43Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.14Å; L216-A218 VanDerWaalsContact C-N 3.34Å; L216-V219 PolarHBondContact O-N 3.01Å; L216-D220 WeakPolarHBondContact O-CB 3.06Å; L216-D220 PolarHBondContact O-N 3.05Å; L216-I235 HydrophobicContact CD1-CD1 3.49Å; L216-I235 VanDerWaalsContact CD1-CD1 3.49Å; L216-I235 HydrophobicContact CG-CD1 4.45Å; L216-L238 HydrophobicContact CD1-CD1 4.21Å; L216-Y291 HydrophobicContact CD1-CD1 3.89Å; L216-Y291 HydrophobicContact CD1-CE1 4.22Å; L216-Y291 HydrophobicContact CD1-CG 4.3Å; L216-Y291 HydrophobicContact CD2-CD1 4.38Å; L216-Y291 HydrophobicContact CD2-CG 4Å; L216-I294 HydrophobicContact CB-CG2 4.18Å; L216-I294 HydrophobicContact CD1-CD1 4.19Å; L216-I294 HydrophobicContact CD2-CB 4.45Å; L216-I294 HydrophobicContact CD2-CG2 4.02Å; L216-I294 HydrophobicContact CG-CG2 4.49Å; L216-I295 HydrophobicContact CD2-CD1 4.29Å; L216-I295 HydrophobicContact CD2-CG1 3.89Å |
| 217 | V | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L6 I9 L10 Y96 R213 Y214 V215 V219 D220 V221 | L6-V217 HydrophobicContact CB-CG2 4.34Å; I9-V217 HydrophobicContact CD1-CG2 3.67Å; I9-V217 HydrophobicContact CG1-CG2 3.73Å; L10-V217 HydrophobicContact CD1-CB 4.41Å; L10-V217 HydrophobicContact CD1-CG1 4.16Å; L10-V217 HydrophobicContact CD1-CG2 4.26Å; L10-V217 HydrophobicContact CD2-CB 4.5Å; L10-V217 HydrophobicContact CD2-CG2 3.99Å; L10-V217 HydrophobicContact CG-CG2 3.95Å; Y96-V217 HydrophobicContact CE1-CG1 3.99Å; R213-V217 WeakPolarHBondContact O-CG2 3.44Å; R213-V217 PolarHBondContact O-N 3.43Å; Y214-V217 PolarHBondContact O-N 3Å; V215-V217 PolarHBondContact O-N 3.42Å; V217-V219 PolarHBondContact O-N 3.09Å; V217-D220 PolarHBondContact O-N 2.86Å; V217-V221 HydrophobicContact CG1-CG2 4.06Å; V217-V221 WeakPolarHBondContact O-CB 3.27Å; V217-V221 VanDerWaalsContact O-CG2 3.26Å; V217-V221 WeakPolarHBondContact O-CG2 3.49Å; V217-V221 PolarHBondContact O-N 3.26Å |
| 218 | A | 88.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -48.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I87 I91 M93 Y214 V215 L216 D220 A222 | I87-A218 HydrophobicContact CG2-CB 3.55Å; I91-A218 HydrophobicContact CD1-CB 4.49Å; I91-A218 WeakPolarHBondContact CD1-O 3.33Å; M93-A218 HydrophobicContact CE-CB 3.55Å; M93-A218 HydrophobicContact SD-CB 3.93Å; Y214-A218 PolarHBondContact O-N 3.02Å; V215-A218 WeakPolarHBondContact O-CB 3.4Å; V215-A218 PolarHBondContact O-N 3.37Å; L216-A218 VanDerWaalsContact C-N 3.34Å; A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 3.31Å; A218-A222 WeakPolarHBondContact O-CB 3.13Å; A218-A222 PolarHBondContact O-N 3.39Å |
| 219 | V | 91.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 179 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | C153 V215 L216 V217 A222 S223 L231 A234 I235 L238 | C153-V219 HydrophobicContact CB-CG2 3.95Å; V215-V219 HydrophobicContact CG1-CG2 4.18Å; V215-V219 VanDerWaalsContact O-CG2 3.28Å; V215-V219 WeakPolarHBondContact O-CG2 3.4Å; V215-V219 PolarHBondContact O-N 3.35Å; L216-V219 PolarHBondContact O-N 3.01Å; V217-V219 PolarHBondContact O-N 3.09Å; V219-A222 PolarHBondContact O-N 3.17Å; V219-S223 WeakPolarHBondContact O-CB 3.42Å; V219-S223 PolarHBondContact O-N 3.26Å; V219-L231 HydrophobicContact CG1-CB 4.27Å; V219-L231 HydrophobicContact CG1-CD2 4.34Å; V219-A234 HydrophobicContact CG1-CB 4.26Å; V219-I235 HydrophobicContact CG1-CB 4.05Å; V219-I235 HydrophobicContact CG1-CD1 4.24Å; V219-L238 HydrophobicContact CG1-CD1 4.49Å |
| 220 | D | 91.6 | Very high | 85.4 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 10% | 0.102 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -49.6 | 180 | -174.9 | 59.4 | 0 | 0 | 0 | 112.4 | S4 P5 L6 L216 V217 A218 A222 S223 I235 | S4-D220 WeakPolarHBondContact CB-OD2 3.42Å; S4-D220 PolarHBondContact OG-OD2 2.88Å; P5-D220 WeakPolarHBondContact CD-OD2 2.9Å; L6-D220 HydrophobicContact CD1-CB 3.96Å; L216-D220 WeakPolarHBondContact O-CB 3.06Å; L216-D220 PolarHBondContact O-N 3.05Å; V217-D220 PolarHBondContact O-N 2.86Å; A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 3.31Å; D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 2.92Å; D220-S223 WeakPolarHBondContact O-CB 3.48Å; D220-S223 PolarHBondContact O-N 3.46Å; D220-S223 PolarHBondContact O-OG 3.47Å; D220-I235 HydrophobicContact CB-CD1 3.96Å; D220-I235 HydrophobicContact CB-CG1 4.21Å |
| 221 | V | 87.6 | Confident | 85.7 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 11% | 0.109 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | I91 Y96 V217 S223 T224 | I91-V221 HydrophobicContact CD1-CB 3.4Å; I91-V221 HydrophobicContact CD1-CG1 3.44Å; I91-V221 VanDerWaalsContact CD1-CG1 3.44Å; I91-V221 HydrophobicContact CD1-CG2 4.49Å; I91-V221 HydrophobicContact CG1-CG1 4.36Å; Y96-V221 WeakPolarHBondContact OH-CG2 3.4Å; V217-V221 HydrophobicContact CG1-CG2 4.06Å; V217-V221 WeakPolarHBondContact O-CB 3.27Å; V217-V221 VanDerWaalsContact O-CG2 3.26Å; V217-V221 WeakPolarHBondContact O-CG2 3.49Å; V217-V221 PolarHBondContact O-N 3.26Å; V221-S223 VanDerWaalsContact C-N 3.27Å; V221-S223 PolarHBondContact O-N 3.44Å; V221-T224 PolarHBondContact O-N 2.85Å; V221-T224 PolarHBondContact O-OG1 3.21Å |
| 222 | A | 87.8 | Confident | 86 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.8 | -26.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V90 I91 A218 V219 D220 T224 L225 R228 L231 | V90-A222 HydrophobicContact CG1-CB 3.49Å; V90-A222 VanDerWaalsContact CG1-CB 3.49Å; I91-A222 HydrophobicContact CD1-CB 3.72Å; I91-A222 HydrophobicContact CG1-CB 3.95Å; A218-A222 WeakPolarHBondContact O-CB 3.13Å; A218-A222 PolarHBondContact O-N 3.39Å; V219-A222 PolarHBondContact O-N 3.17Å; D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 2.92Å; A222-T224 PolarHBondContact O-N 3.13Å; A222-L225 WeakPolarHBondContact O-CB 3.4Å; A222-L225 PolarHBondContact O-N 3.25Å; A222-L225 VanDerWaalsContact O-N 3.15Å; A222-R228 WeakPolarHBondContact O-CB 3.44Å; A222-L231 HydrophobicContact CB-CD1 3.32Å |
| 223 | S | 89.1 | Confident | 86.2 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -24.4 | 175.3 | 78.9 | 0 | 0 | 0 | 0 | 113.1 | V219 D220 V221 L225 | V219-S223 WeakPolarHBondContact O-CB 3.42Å; V219-S223 PolarHBondContact O-N 3.26Å; D220-S223 WeakPolarHBondContact O-CB 3.48Å; D220-S223 PolarHBondContact O-N 3.46Å; D220-S223 PolarHBondContact O-OG 3.47Å; V221-S223 VanDerWaalsContact C-N 3.27Å; V221-S223 PolarHBondContact O-N 3.44Å; S223-L225 VanDerWaalsContact C-N 3.32Å |
| 224 | T | 84.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 31.2 Ų | 31.2 | 32% | 0.319 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.1 | -179.8 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | R2 V221 A222 | R2-T224 PolarHBondContact NH1-O 3.2Å; V221-T224 PolarHBondContact O-N 2.85Å; V221-T224 PolarHBondContact O-OG1 3.21Å; A222-T224 PolarHBondContact O-N 3.13Å |
| 225 | L | 78.7 | Confident | 86.9 | Confident | 72 Ų | 72 | 31.3 Ų | 31.3 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -84.4 | 135.8 | -178.2 | -63.9 | 175.7 | 0 | 0 | 0 | 111 | A222 S223 G227 R228 | A222-L225 WeakPolarHBondContact O-CB 3.4Å; A222-L225 PolarHBondContact O-N 3.25Å; A222-L225 VanDerWaalsContact O-N 3.15Å; S223-L225 VanDerWaalsContact C-N 3.32Å; L225-G227 PolarHBondContact O-N 3.43Å; L225-R228 HydrophobicContact CB-CB 4.46Å; L225-R228 HydrophobicContact CB-CG 4.24Å; L225-R228 PolarHBondContact O-N 3.32Å |
| 226 | P | 72.7 | Confident | 87 | Confident | 125 Ų | 125 | 34.7 Ų | 34.7 | 81% | 0.812 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 138.6 | 173.8 | -23.7 | 32.7 | 0 | 0 | 0 | 111.8 | R228 | P226-R228 PolarHBondContact O-N 2.92Š|
| 227 | G | 69.1 | Low | 87.1 | Confident | 87 Ų | 87 | 37.8 Ų | 37.8 | 90% | 0.897 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -11.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L225 N229 | L225-G227 PolarHBondContact O-N 3.43Å; G227-N229 VanDerWaalsContact C-N 3.29Å; G227-N229 PolarHBondContact O-N 2.86Å |
| 228 | R | 68.7 | Low | 87.4 | Confident | 79 Ų | 79 | 37.8 Ų | 37.8 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | trans | -93.2 | 45.2 | 177.7 | -63.1 | -160 | -174 | -117.7 | 8 | 113.3 | V90 A222 L225 P226 I230 L231 | V90-R228 VanDerWaalsContact CB-NH1 3.32Å; V90-R228 PolarHBondContact O-NH2 3.35Å; V90-R228 VanDerWaalsContact O-NH2 3.13Å; A222-R228 WeakPolarHBondContact O-CB 3.44Å; L225-R228 HydrophobicContact CB-CB 4.46Å; L225-R228 HydrophobicContact CB-CG 4.24Å; L225-R228 PolarHBondContact O-N 3.32Å; P226-R228 PolarHBondContact O-N 2.92Å; R228-I230 PolarHBondContact O-N 3.12Å; R228-I230 VanDerWaalsContact O-N 3.09Å; R228-L231 HydrophobicContact CB-CD1 4.4Å; R228-L231 PolarHBondContact O-N 3.32Å | ||
| 229 | N | 82 | Confident | 87.7 | Confident | 92 Ų | 92 | 42.7 Ų | 42.7 | 49% | 0.492 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.6 | -32 | -176 | -166.1 | 3.3 | 0 | 0 | 0 | 112.6 | G227 L231 S232 I233 | G227-N229 VanDerWaalsContact C-N 3.29Å; G227-N229 PolarHBondContact O-N 2.86Å; N229-L231 PolarHBondContact O-N 3.41Å; N229-S232 WeakPolarHBondContact O-CB 3.29Å; N229-S232 PolarHBondContact O-N 2.92Å; N229-S232 VanDerWaalsContact O-N 3.14Å; N229-I233 WeakPolarHBondContact O-CG1 3.34Å; N229-I233 PolarHBondContact O-N 2.88Å |
| 230 | I | 90.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -36.4 | 179.3 | -163 | 46.9 | 0 | 0 | 0 | 113.3 | T146 F176 F180 R228 I233 A234 | T146-I230 HydrophobicContact CG2-CB 3.93Å; T146-I230 HydrophobicContact CG2-CG1 4.42Å; T146-I230 HydrophobicContact CG2-CG2 3.5Å; F176-I230 HydrophobicContact CB-CD1 4.11Å; F176-I230 HydrophobicContact CD1-CD1 3.05Å; F176-I230 HydrophobicContact CD1-CG1 4.34Å; F176-I230 HydrophobicContact CD2-CD1 4.43Å; F176-I230 HydrophobicContact CE1-CD1 3.36Å; F176-I230 HydrophobicContact CE1-CG1 4.35Å; F176-I230 HydrophobicContact CG-CD1 3.65Å; F176-I230 HydrophobicContact CZ-CD1 4.19Å; F180-I230 HydrophobicContact CE2-CB 4.48Å; F180-I230 HydrophobicContact CE2-CD1 3.64Å; F180-I230 HydrophobicContact CE2-CG1 4.41Å; F180-I230 HydrophobicContact CZ-CB 4.07Å; F180-I230 HydrophobicContact CZ-CD1 3.99Å; F180-I230 HydrophobicContact CZ-CG1 4.48Å; R228-I230 PolarHBondContact O-N 3.12Å; R228-I230 VanDerWaalsContact O-N 3.09Å; I230-I233 PolarHBondContact O-N 3.4Å; I230-A234 WeakPolarHBondContact O-CB 3.42Å; I230-A234 PolarHBondContact O-N 3.1Å |
| 231 | L | 92.2 | Very high | 88 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -79.4 | -29.4 | -178.1 | -59 | 174.7 | 0 | 0 | 0 | 111.3 | V90 M149 V219 A222 R228 N229 I233 A234 I235 | V90-L231 HydrophobicContact CG1-CD1 3.64Å; M149-L231 HydrophobicContact CE-CD1 3.87Å; M149-L231 HydrophobicContact CE-CD2 3.65Å; M149-L231 HydrophobicContact CE-CG 4.36Å; M149-L231 HydrophobicContact SD-CD1 4.37Å; M149-L231 HydrophobicContact SD-CD2 4.09Å; V219-L231 HydrophobicContact CG1-CB 4.27Å; V219-L231 HydrophobicContact CG1-CD2 4.34Å; A222-L231 HydrophobicContact CB-CD1 3.32Å; R228-L231 HydrophobicContact CB-CD1 4.4Å; R228-L231 PolarHBondContact O-N 3.32Å; N229-L231 PolarHBondContact O-N 3.41Å; L231-I233 VanDerWaalsContact C-N 3.33Å; L231-A234 PolarHBondContact O-N 2.67Å; L231-I235 WeakPolarHBondContact O-CB 3.44Å; L231-I235 WeakPolarHBondContact O-CG2 3.46Å; L231-I235 PolarHBondContact O-N 3.38Å |
| 232 | S | 92.6 | Very high | 88.1 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 33% | 0.329 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 167.5 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | N229 I235 T236 | N229-S232 WeakPolarHBondContact O-CB 3.29Å; N229-S232 PolarHBondContact O-N 2.92Å; N229-S232 VanDerWaalsContact O-N 3.14Å; S232-I235 WeakPolarHBondContact O-CG2 3.38Å; S232-T236 WeakPolarHBondContact O-CB 3.34Å; S232-T236 PolarHBondContact O-N 3.28Å; S232-T236 PolarHBondContact O-OG1 3.15Å |
| 233 | I | 94.1 | Very high | 88.4 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -46.9 | 173.7 | -61.2 | 164.2 | 0 | 0 | 0 | 109.8 | F176 C179 F180 N229 I230 L231 I235 T236 W237 | F176-I233 HydrophobicContact CD1-CG2 4.01Å; F176-I233 HydrophobicContact CE1-CB 4.15Å; F176-I233 HydrophobicContact CE1-CG2 3.68Å; C179-I233 HydrophobicContact CB-CD1 3.78Å; F180-I233 HydrophobicContact CZ-CD1 4.47Å; N229-I233 WeakPolarHBondContact O-CG1 3.34Å; N229-I233 PolarHBondContact O-N 2.88Å; I230-I233 PolarHBondContact O-N 3.4Å; L231-I233 VanDerWaalsContact C-N 3.33Å; I233-I235 PolarHBondContact O-N 2.96Å; I233-T236 WeakPolarHBondContact O-CB 3.32Å; I233-T236 PolarHBondContact O-N 3.41Å; I233-T236 VanDerWaalsContact O-N 3.17Å; I233-W237 HydrophobicContact CG2-CD2 3.92Å; I233-W237 VanDerWaalsContact CG2-CE2 3.49Å; I233-W237 HydrophobicContact CG2-CE3 4.35Å; I233-W237 HydrophobicContact CG2-CG 4.43Å; I233-W237 HydrophobicContact CG2-CH2 3.97Å; I233-W237 HydrophobicContact CG2-CZ2 3.55Å; I233-W237 HydrophobicContact CG2-CZ3 4.38Å; I233-W237 PolarHBondContact O-N 3.39Å |
| 234 | A | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M154 F176 V219 I230 L231 T236 W237 L238 | M154-A234 HydrophobicContact SD-CB 4.21Å; F176-A234 HydrophobicContact CE1-CB 4.5Å; F176-A234 HydrophobicContact CZ-CB 4.15Å; V219-A234 HydrophobicContact CG1-CB 4.26Å; I230-A234 WeakPolarHBondContact O-CB 3.42Å; I230-A234 PolarHBondContact O-N 3.1Å; L231-A234 PolarHBondContact O-N 2.67Å; A234-T236 PolarHBondContact O-N 2.93Å; A234-W237 CarbonylContact O-C 3.59Å; A234-W237 PolarHBondContact O-N 3.47Å; A234-L238 WeakPolarHBondContact O-CB 3.29Å; A234-L238 VanDerWaalsContact O-CG 3.28Å; A234-L238 WeakPolarHBondContact O-CG 3.44Å; A234-L238 PolarHBondContact O-N 3.02Å |
| 235 | I | 94.6 | Very high | 88.9 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -30.2 | 178.7 | -161.5 | 59.9 | 0 | 0 | 0 | 112.2 | L216 V219 D220 L231 S232 I233 L238 Y291 | L216-I235 HydrophobicContact CD1-CD1 3.49Å; L216-I235 VanDerWaalsContact CD1-CD1 3.49Å; L216-I235 HydrophobicContact CG-CD1 4.45Å; V219-I235 HydrophobicContact CG1-CB 4.05Å; V219-I235 HydrophobicContact CG1-CD1 4.24Å; D220-I235 HydrophobicContact CB-CD1 3.96Å; D220-I235 HydrophobicContact CB-CG1 4.21Å; L231-I235 WeakPolarHBondContact O-CB 3.44Å; L231-I235 WeakPolarHBondContact O-CG2 3.46Å; L231-I235 PolarHBondContact O-N 3.38Å; S232-I235 WeakPolarHBondContact O-CG2 3.38Å; I233-I235 PolarHBondContact O-N 2.96Å; I235-L238 HydrophobicContact CD1-CD1 4.5Å; I235-Y291 HydrophobicContact CD1-CE1 4.11Å; I235-Y291 WeakPolarHBondContact O-CE1 3.47Å; I235-Y291 PolarHBondContact O-OH 2.99Å |
| 236 | T | 94 | Very high | 89.7 | Confident | 72 Ų | 72 | 44 Ų | 44 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.8 | -43.4 | 174.2 | -61 | 0 | 0 | 0 | 0 | 111.3 | S232 I233 A234 L238 K239 | S232-T236 WeakPolarHBondContact O-CB 3.34Å; S232-T236 PolarHBondContact O-N 3.28Å; S232-T236 PolarHBondContact O-OG1 3.15Å; I233-T236 WeakPolarHBondContact O-CB 3.32Å; I233-T236 PolarHBondContact O-N 3.41Å; I233-T236 VanDerWaalsContact O-N 3.17Å; A234-T236 PolarHBondContact O-N 2.93Å; T236-L238 VanDerWaalsContact C-N 3.32Å; T236-L238 PolarHBondContact O-N 3.32Å; T236-K239 WeakPolarHBondContact O-CB 3.43Å; T236-K239 PolarHBondContact O-N 3.41Å |
| 237 | W | 94.5 | Very high | 90.8 | Very high | 64 Ų | 64 | 41 Ų | 41 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.5 | -22.2 | 178.7 | -69.9 | 2.8 | 0 | 0 | 0 | 113.8 | M154 R175 F176 I233 A234 K239 | M154-W237 HydrophobicContact CE-CB 3.86Å; M154-W237 HydrophobicContact SD-CB 4.25Å; R175-W237 HydrophobicContact CB-CH2 3.43Å; R175-W237 VanDerWaalsContact CB-CH2 3.43Å; R175-W237 HydrophobicContact CB-CZ2 4.28Å; R175-W237 HydrophobicContact CB-CZ3 3.84Å; F176-W237 HydrophobicContact CD1-CE3 4.25Å; F176-W237 AromaticContact CD1-CH2 3.69Å; F176-W237 HydrophobicContact CD1-CH2 3.69Å; F176-W237 AromaticContact CD1-CZ3 3.48Å; F176-W237 HydrophobicContact CD1-CZ3 3.48Å; F176-W237 VanDerWaalsContact CD1-CZ3 3.48Å; F176-W237 HydrophobicContact CD2-CZ3 4Å; F176-W237 HydrophobicContact CE1-CD2 4.5Å; F176-W237 AromaticContact CE1-CE3 3.73Å; F176-W237 HydrophobicContact CE1-CE3 3.73Å; F176-W237 AromaticContact CE1-CH2 3.98Å; F176-W237 HydrophobicContact CE1-CH2 3.98Å; F176-W237 AromaticContact CE1-CZ3 3.43Å; F176-W237 HydrophobicContact CE1-CZ3 3.43Å; F176-W237 VanDerWaalsContact CE1-CZ3 3.43Å; F176-W237 HydrophobicContact CE2-CE3 4.29Å; F176-W237 AromaticContact CE2-CZ3 3.93Å; F176-W237 HydrophobicContact CE2-CZ3 3.93Å; F176-W237 HydrophobicContact CG-CH2 4.15Å; F176-W237 AromaticContact CG-CZ3 3.8Å; F176-W237 HydrophobicContact CG-CZ3 3.8Å; F176-W237 AromaticContact CZ-CE3 3.76Å; F176-W237 HydrophobicContact CZ-CE3 3.76Å; F176-W237 AromaticContact CZ-CZ3 3.67Å; F176-W237 HydrophobicContact CZ-CZ3 3.67Å; I233-W237 HydrophobicContact CG2-CD2 3.92Å; I233-W237 VanDerWaalsContact CG2-CE2 3.49Å; I233-W237 HydrophobicContact CG2-CE3 4.35Å; I233-W237 HydrophobicContact CG2-CG 4.43Å; I233-W237 HydrophobicContact CG2-CH2 3.97Å; I233-W237 HydrophobicContact CG2-CZ2 3.55Å; I233-W237 HydrophobicContact CG2-CZ3 4.38Å; I233-W237 PolarHBondContact O-N 3.39Å; A234-W237 CarbonylContact O-C 3.59Å; A234-W237 PolarHBondContact O-N 3.47Å; W237-K239 PolarHBondContact O-N 3.49Å |
| 238 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.4 | 172.8 | -74.2 | 169.8 | 0 | 0 | 0 | 112.8 | M154 I156 L216 V219 A234 I235 T236 M240 S241 Y291 I294 | M154-L238 HydrophobicContact CE-CD2 3.85Å; M154-L238 HydrophobicContact CE-CG 4.09Å; M154-L238 HydrophobicContact SD-CD2 4.12Å; M154-L238 HydrophobicContact SD-CG 4.04Å; I156-L238 HydrophobicContact CD1-CD1 3.91Å; I156-L238 HydrophobicContact CD1-CD2 4.36Å; I156-L238 HydrophobicContact CG1-CD1 4.19Å; I156-L238 HydrophobicContact CG1-CD2 3.74Å; L216-L238 HydrophobicContact CD1-CD1 4.21Å; V219-L238 HydrophobicContact CG1-CD1 4.49Å; A234-L238 WeakPolarHBondContact O-CB 3.29Å; A234-L238 VanDerWaalsContact O-CG 3.28Å; A234-L238 WeakPolarHBondContact O-CG 3.44Å; A234-L238 PolarHBondContact O-N 3.02Å; I235-L238 HydrophobicContact CD1-CD1 4.5Å; T236-L238 VanDerWaalsContact C-N 3.32Å; T236-L238 PolarHBondContact O-N 3.32Å; L238-M240 PolarHBondContact O-N 3.42Å; L238-S241 WeakPolarHBondContact O-CB 3.5Å; L238-S241 PolarHBondContact O-N 2.91Å; L238-S241 VanDerWaalsContact O-N 3.1Å; L238-S241 PolarHBondContact O-OG 3.37Å; L238-Y291 HydrophobicContact CB-CD1 4.36Å; L238-Y291 HydrophobicContact CB-CE1 4.1Å; L238-I294 HydrophobicContact CB-CD1 3.98Å; L238-I294 HydrophobicContact CD2-CD1 3.93Å; L238-I294 HydrophobicContact CG-CD1 4.42Å |
| 239 | K | 95.5 | Very high | 93.4 | Very high | 106 Ų | 106 | 33.6 Ų | 33.6 | 46% | 0.461 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 132 | 173.3 | -67.1 | -179.1 | 177.8 | 176.5 | 0 | 110.2 | T236 W237 S241 P290 Y291 | T236-K239 WeakPolarHBondContact O-CB 3.43Å; T236-K239 PolarHBondContact O-N 3.41Å; W237-K239 PolarHBondContact O-N 3.49Å; K239-S241 PolarHBondContact O-N 2.89Å; K239-S241 VanDerWaalsContact O-N 3.13Å; K239-P290 CarbonylContact C-O 3.6Å; K239-P290 HydrophobicContact CB-CB 4.01Å; K239-P290 HydrophobicContact CD-CB 4.45Å; K239-P290 HydrophobicContact CG-CB 3.89Å; K239-Y291 HydrophobicContact CB-CE1 4.42Å; K239-Y291 WeakPolarHBondContact CE-OH 3.37Å; K239-Y291 HydrophobicContact CG-CE1 3.66Å; K239-Y291 HydrophobicContact CG-CE2 4.45Å; K239-Y291 VanDerWaalsContact CG-OH 3.26Å; K239-Y291 WeakPolarHBondContact CG-OH 3.5Å |
| 240 | M | 94.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 18% | 0.177 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 15.4 | -175.2 | -52.9 | -59.3 | -152.3 | 0 | 0 | 114.2 | L238 L243 S244 H247 W281 P290 | L238-M240 PolarHBondContact O-N 3.42Å; M240-L243 CarbonylContact O-C 3.47Å; M240-L243 WeakPolarHBondContact O-CA 3.43Å; M240-L243 WeakPolarHBondContact O-CB 3.43Å; M240-L243 PolarHBondContact O-N 2.99Å; M240-S244 PolarHBondContact O-N 3.38Å; M240-H247 HydrophobicContact CB-CB 3.87Å; M240-H247 HydrophobicContact CG-CB 3.99Å; M240-H247 HydrophobicContact SD-CB 4.41Å; M240-W281 HydrophobicContact CE-CH2 3.79Å; M240-W281 HydrophobicContact CE-CZ2 3.77Å; M240-W281 HydrophobicContact SD-CH2 3.68Å; M240-W281 HydrophobicContact SD-CZ2 4.3Å; M240-P290 WeakPolarHBondContact CA-O 3.37Å; M240-P290 PolarHBondContact N-O 2.66Å |
| 241 | S | 93.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 145.3 | 172.9 | 70.3 | 0 | 0 | 0 | 0 | 110 | G157 L238 K239 L243 I294 | G157-S241 WeakPolarHBondContact CA-OG 3.24Å; G157-S241 WeakPolarHBondContact O-CB 3.3Å; L238-S241 WeakPolarHBondContact O-CB 3.5Å; L238-S241 PolarHBondContact O-N 2.91Å; L238-S241 VanDerWaalsContact O-N 3.1Å; L238-S241 PolarHBondContact O-OG 3.37Å; K239-S241 PolarHBondContact O-N 2.89Å; K239-S241 VanDerWaalsContact O-N 3.13Å; S241-L243 PolarHBondContact O-N 2.88Å; S241-I294 VanDerWaalsContact OG-CD1 3.28Å; S241-I294 WeakPolarHBondContact OG-CD1 3.26Å |
| 242 | R | 90.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 9 | -168.2 | -51 | 176.6 | 71.6 | -159.2 | 5.4 | 115.1 | G157 E159 R293 D298 | G157-R242 VanDerWaalsContact O-CG 3.23Å; G157-R242 WeakPolarHBondContact O-CG 3.36Å; G157-R242 PolarHBondContact O-N 3.35Å; E159-R242 IonicContact OE1-CZ 3.93Å; E159-R242 IonicContact OE1-NE 3.17Å; E159-R242 PolarHBondContact OE1-NE 3.47Å; E159-R242 IonicContact OE1-NH2 2.88Å; E159-R242 PolarHBondContact OE1-NH2 2.91Å; R242-R293 HydrophobicContact CB-CB 3.57Å; R242-R293 HydrophobicContact CB-CG 4.18Å; R242-R293 PolarHBondContact NH1-O 2.9Å; R242-R293 PolarHBondContact O-NE 2.93Å; R242-D298 IonicContact CZ-OD1 3.2Å; R242-D298 IonicContact NH1-OD1 3.55Å; R242-D298 IonicContact NH2-OD1 3.63Å; R242-D298 PolarHBondContact NH2-OD1 3.22Å; R242-D298 IonicContact NH2-OD2 3.04Å |
| 243 | L | 93.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -123.6 | 17.2 | 177 | -74.2 | 177 | 0 | 0 | 0 | 112.9 | M240 S241 H245 F246 H247 W281 R293 F304 | M240-L243 CarbonylContact O-C 3.47Å; M240-L243 WeakPolarHBondContact O-CA 3.43Å; M240-L243 WeakPolarHBondContact O-CB 3.43Å; M240-L243 PolarHBondContact O-N 2.99Å; S241-L243 PolarHBondContact O-N 2.88Å; L243-H245 VanDerWaalsContact C-N 3.31Å; L243-H245 PolarHBondContact O-N 3.43Å; L243-H245 VanDerWaalsContact O-N 3.16Å; L243-F246 HydrophobicContact CD2-CB 4.38Å; L243-F246 HydrophobicContact CD2-CD1 4.49Å; L243-F246 PolarHBondContact O-N 2.89Å; L243-F246 VanDerWaalsContact O-N 3.1Å; L243-H247 WeakPolarHBondContact O-CB 3.05Å; L243-H247 PolarHBondContact O-N 3.07Å; L243-W281 HydrophobicContact CD1-CH2 4.36Å; L243-W281 HydrophobicContact CD1-CZ3 3.76Å; L243-R293 HydrophobicContact CD1-CG 4.04Å; L243-R293 HydrophobicContact CD2-CB 4.44Å; L243-R293 HydrophobicContact CD2-CG 3.25Å; L243-R293 HydrophobicContact CG-CB 4.04Å; L243-R293 HydrophobicContact CG-CG 3.33Å; L243-F304 HydrophobicContact CD2-CB 3.44Å; L243-F304 VanDerWaalsContact CD2-CB 3.44Å; L243-F304 HydrophobicContact CD2-CD2 4.06Å; L243-F304 HydrophobicContact CD2-CG 3.92Å | ||
| 244 | S | 90 | Very high | 94.7 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 42% | 0.42 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -52.2 | -45.7 | -170.4 | -49.4 | 0 | 0 | 0 | 0 | 113.4 | M240 H247 L248 | M240-S244 PolarHBondContact O-N 3.38Å; S244-H247 PolarHBondContact O-N 3.41Å; S244-L248 VanDerWaalsContact O-CG 3.23Å; S244-L248 WeakPolarHBondContact O-CG 3.46Å; S244-L248 PolarHBondContact O-N 3.3Å |
| 245 | H | 93.4 | Very high | 94.2 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 32% | 0.319 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.1 | -50.5 | 178.3 | -68.4 | 175.1 | 0 | 0 | 0 | 112.1 | L243 H247 L248 I249 A313 | L243-H245 VanDerWaalsContact C-N 3.31Å; L243-H245 PolarHBondContact O-N 3.43Å; L243-H245 VanDerWaalsContact O-N 3.16Å; H245-H247 VanDerWaalsContact C-N 3.31Å; H245-H247 PolarHBondContact O-N 2.89Å; H245-L248 PolarHBondContact O-N 3.13Å; H245-I249 WeakPolarHBondContact O-CG1 3.29Å; H245-I249 PolarHBondContact O-N 2.92Å; H245-A313 HydrophobicContact CB-CB 3.68Å |
| 246 | F | 96.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.7 | -173.5 | -118.2 | 0 | 0 | 0 | 112 | L243 L248 I249 L250 L274 I278 W281 F304 L309 | L243-F246 HydrophobicContact CD2-CB 4.38Å; L243-F246 HydrophobicContact CD2-CD1 4.49Å; L243-F246 PolarHBondContact O-N 2.89Å; L243-F246 VanDerWaalsContact O-N 3.1Å; F246-L248 PolarHBondContact O-N 3.31Å; F246-I249 PolarHBondContact O-N 3.02Å; F246-L250 HydrophobicContact CD1-CD1 4.01Å; F246-L250 HydrophobicContact CD1-CG 4.47Å; F246-L250 HydrophobicContact CE1-CD1 3.55Å; F246-L250 HydrophobicContact CE1-CG 4.13Å; F246-L250 HydrophobicContact CE2-CD2 4.28Å; F246-L250 HydrophobicContact CE2-CG 4.31Å; F246-L250 HydrophobicContact CZ-CD1 3.87Å; F246-L250 HydrophobicContact CZ-CD2 4.03Å; F246-L250 HydrophobicContact CZ-CG 4.04Å; F246-L250 WeakPolarHBondContact O-CG 3.39Å; F246-L250 PolarHBondContact O-N 3.17Å; F246-L274 HydrophobicContact CE2-CD1 4.16Å; F246-I278 HydrophobicContact CE2-CG1 4.41Å; F246-I278 HydrophobicContact CZ-CG1 4.37Å; F246-W281 HydrophobicContact CD1-CE3 4.42Å; F246-W281 HydrophobicContact CE1-CB 4.05Å; F246-W281 AromaticContact CE1-CD2 3.82Å; F246-W281 HydrophobicContact CE1-CD2 3.82Å; F246-W281 AromaticContact CE1-CE3 3.78Å; F246-W281 HydrophobicContact CE1-CE3 3.78Å; F246-W281 AromaticContact CE1-CG 3.97Å; F246-W281 HydrophobicContact CE1-CG 3.97Å; F246-W281 HydrophobicContact CE1-CZ3 4.39Å; F246-W281 HydrophobicContact CZ-CB 4.05Å; F246-W281 HydrophobicContact CZ-CG 4.3Å; F246-F304 HydrophobicContact CB-CB 4.43Å; F246-F304 HydrophobicContact CD1-CB 4.45Å; F246-F304 AromaticContact CD1-CD1 3.98Å; F246-F304 HydrophobicContact CD1-CD1 3.98Å; F246-F304 HydrophobicContact CD1-CG 4.46Å; F246-F304 AromaticContact CE1-CD1 3.77Å; F246-F304 HydrophobicContact CE1-CD1 3.77Å; F246-F304 HydrophobicContact CE1-CE1 4.12Å; F246-F304 HydrophobicContact CE2-CD1 4.38Å; F246-F304 HydrophobicContact CG-CB 4.34Å; F246-F304 HydrophobicContact CG-CD1 4.36Å; F246-F304 AromaticContact CZ-CD1 4Å; F246-F304 HydrophobicContact CZ-CD1 4Å; F246-F304 HydrophobicContact CZ-CE1 4.32Å; F246-L309 HydrophobicContact CD2-CD1 4.35Å |
| 247 | H | 95.5 | Very high | 93.2 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 174.9 | 174.2 | 52.6 | 0 | 0 | 0 | 112.5 | M240 L243 S244 H245 I249 L250 K251 | M240-H247 HydrophobicContact CB-CB 3.87Å; M240-H247 HydrophobicContact CG-CB 3.99Å; M240-H247 HydrophobicContact SD-CB 4.41Å; L243-H247 WeakPolarHBondContact O-CB 3.05Å; L243-H247 PolarHBondContact O-N 3.07Å; S244-H247 PolarHBondContact O-N 3.41Å; H245-H247 VanDerWaalsContact C-N 3.31Å; H245-H247 PolarHBondContact O-N 2.89Å; H247-I249 VanDerWaalsContact C-N 3.35Å; H247-L250 PolarHBondContact O-N 3.37Å; H247-K251 VanDerWaalsContact O-CB 3.22Å; H247-K251 WeakPolarHBondContact O-CB 3.39Å; H247-K251 PolarHBondContact O-N 2.81Å |
| 248 | L | 95.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.9 | -70.1 | 169.9 | 0 | 0 | 0 | 111.1 | S244 H245 F246 K251 Y252 A316 V317 L327 F330 | S244-L248 VanDerWaalsContact O-CG 3.23Å; S244-L248 WeakPolarHBondContact O-CG 3.46Å; S244-L248 PolarHBondContact O-N 3.3Å; H245-L248 PolarHBondContact O-N 3.13Å; F246-L248 PolarHBondContact O-N 3.31Å; L248-K251 PolarHBondContact O-N 3.41Å; L248-Y252 HydrophobicContact CB-CD2 4.5Å; L248-Y252 HydrophobicContact CD2-CD2 3.98Å; L248-Y252 HydrophobicContact CD2-CE2 3.63Å; L248-Y252 WeakPolarHBondContact O-CD2 3.43Å; L248-Y252 PolarHBondContact O-N 3.13Å; L248-A316 HydrophobicContact CB-CB 4.05Å; L248-V317 HydrophobicContact CD1-CG2 3.77Å; L248-L327 HydrophobicContact CD2-CD1 4.17Å; L248-L327 HydrophobicContact CD2-CD2 4.14Å; L248-F330 HydrophobicContact CD1-CD1 4.48Å; L248-F330 HydrophobicContact CD1-CE1 4.02Å; L248-F330 HydrophobicContact CD1-CE2 4.33Å; L248-F330 HydrophobicContact CD1-CZ 3.94Å |
| 249 | I | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -51.9 | 176.3 | -64.4 | 162.4 | 0 | 0 | 0 | 110.5 | H245 F246 H247 K251 L253 C254 L274 L309 P312 A313 A316 | H245-I249 WeakPolarHBondContact O-CG1 3.29Å; H245-I249 PolarHBondContact O-N 2.92Å; F246-I249 PolarHBondContact O-N 3.02Å; H247-I249 VanDerWaalsContact C-N 3.35Å; I249-K251 VanDerWaalsContact C-N 3.29Å; I249-K251 PolarHBondContact O-N 3.34Å; I249-L253 HydrophobicContact CG2-CB 4.41Å; I249-L253 HydrophobicContact CG2-CD1 4.35Å; I249-L253 WeakPolarHBondContact O-CA 3.27Å; I249-L253 WeakPolarHBondContact O-CB 3.37Å; I249-L253 PolarHBondContact O-N 2.96Å; I249-C254 PolarHBondContact O-N 2.78Å; I249-L274 HydrophobicContact CG2-CD1 3.61Å; I249-L274 HydrophobicContact CG2-CD2 3.9Å; I249-L274 HydrophobicContact CG2-CG 4.43Å; I249-L309 HydrophobicContact CD1-CB 4.1Å; I249-L309 HydrophobicContact CD1-CD2 4.3Å; I249-P312 HydrophobicContact CD1-CB 3.8Å; I249-P312 HydrophobicContact CG1-CB 4Å; I249-A313 HydrophobicContact CD1-CB 3.98Å; I249-A313 HydrophobicContact CG1-CB 4.08Å; I249-A316 HydrophobicContact CG1-CB 4.28Å |
| 250 | L | 96 | Very high | 93 | Very high | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 178.5 | -68.6 | -178.4 | 0 | 0 | 0 | 111.5 | F246 H247 C254 A255 I278 W281 | F246-L250 HydrophobicContact CD1-CD1 4.01Å; F246-L250 HydrophobicContact CD1-CG 4.47Å; F246-L250 HydrophobicContact CE1-CD1 3.55Å; F246-L250 HydrophobicContact CE1-CG 4.13Å; F246-L250 HydrophobicContact CE2-CD2 4.28Å; F246-L250 HydrophobicContact CE2-CG 4.31Å; F246-L250 HydrophobicContact CZ-CD1 3.87Å; F246-L250 HydrophobicContact CZ-CD2 4.03Å; F246-L250 HydrophobicContact CZ-CG 4.04Å; F246-L250 WeakPolarHBondContact O-CG 3.39Å; F246-L250 PolarHBondContact O-N 3.17Å; H247-L250 PolarHBondContact O-N 3.37Å; L250-C254 HydrophobicContact CD2-CB 4.4Å; L250-C254 CarbonylContact O-C 3.21Å; L250-C254 PolarHBondContact O-N 3.38Å; L250-A255 PolarHBondContact O-N 3Å; L250-I278 HydrophobicContact CD2-CD1 4.32Å; L250-I278 HydrophobicContact CD2-CG1 4.02Å; L250-W281 HydrophobicContact CD1-CZ2 4.43Å |
| 251 | K | 95.3 | Very high | 93 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 44% | 0.443 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.6 | -39.3 | -174.3 | -177.5 | 172.1 | -179.6 | 174.5 | 0 | 114 | H247 L248 I249 | H247-K251 VanDerWaalsContact O-CB 3.22Å; H247-K251 WeakPolarHBondContact O-CB 3.39Å; H247-K251 PolarHBondContact O-N 2.81Å; L248-K251 PolarHBondContact O-N 3.41Å; I249-K251 VanDerWaalsContact C-N 3.29Å; I249-K251 PolarHBondContact O-N 3.34Å |
| 252 | Y | 95.6 | Very high | 93 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -110.1 | -18.7 | -170.9 | -65.3 | -66.5 | 0 | 0 | 0 | 113.9 | L248 R323 L327 | L248-Y252 HydrophobicContact CB-CD2 4.5Å; L248-Y252 HydrophobicContact CD2-CD2 3.98Å; L248-Y252 HydrophobicContact CD2-CE2 3.63Å; L248-Y252 WeakPolarHBondContact O-CD2 3.43Å; L248-Y252 PolarHBondContact O-N 3.13Å; Y252-R323 HydrophobicContact CE1-CB 4.46Å; Y252-L327 HydrophobicContact CD2-CD1 4.45Å; Y252-L327 HydrophobicContact CE2-CD1 3.47Å; Y252-L327 VanDerWaalsContact CE2-CD1 3.47Å; Y252-L327 VanDerWaalsContact OH-CD1 3.28Å; Y252-L327 WeakPolarHBondContact OH-CD1 3.49Å |
| 253 | L | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -115.4 | -18.8 | -179.2 | -52.6 | -176.1 | 0 | 0 | 0 | 113.9 | I249 V258 H259 V261 L262 P312 A315 A316 V319 | I249-L253 HydrophobicContact CG2-CB 4.41Å; I249-L253 HydrophobicContact CG2-CD1 4.35Å; I249-L253 WeakPolarHBondContact O-CA 3.27Å; I249-L253 WeakPolarHBondContact O-CB 3.37Å; I249-L253 PolarHBondContact O-N 2.96Å; L253-V258 WeakPolarHBondContact O-CA 3.34Å; L253-H259 HydrophobicContact CB-CB 4.24Å; L253-H259 HydrophobicContact CD2-CB 3.74Å; L253-H259 PolarHBondContact O-N 3.47Å; L253-V261 HydrophobicContact CD1-CG1 4.26Å; L253-V261 HydrophobicContact CD2-CG1 3.87Å; L253-L262 HydrophobicContact CB-CD1 4.16Å; L253-L262 HydrophobicContact CD1-CD2 3.99Å; L253-L262 HydrophobicContact CD1-CG 4.44Å; L253-P312 HydrophobicContact CD1-CB 4.49Å; L253-P312 VanDerWaalsContact CD1-O 3.25Å; L253-P312 WeakPolarHBondContact CD1-O 3.47Å; L253-A315 HydrophobicContact CD1-CB 4.23Å; L253-A316 HydrophobicContact CD1-CB 3.85Å; L253-A316 HydrophobicContact CD2-CB 4.41Å; L253-A316 HydrophobicContact CG-CB 3.79Å; L253-V319 HydrophobicContact CD2-CB 4.47Å; L253-V319 HydrophobicContact CD2-CG2 3.96Å |
| 254 | C | 94.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -133.2 | 30.6 | -174 | -45.8 | 0 | 0 | 0 | 0 | 112.9 | I249 L250 | I249-C254 PolarHBondContact O-N 2.78Å; L250-C254 HydrophobicContact CD2-CB 4.4Å; L250-C254 CarbonylContact O-C 3.21Å; L250-C254 PolarHBondContact O-N 3.38Å |
| 255 | A | 85.3 | Confident | 93.1 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 50% | 0.504 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -76.3 | -103.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L250 | L250-A255 PolarHBondContact O-N 3Š|
| 256 | D | 82 | Confident | 93 | Very high | 171 Ų | 171 | 53.4 Ų | 53.4 | 91% | 0.914 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -84.6 | -44.6 | 179.9 | -55.6 | -47.5 | 0 | 0 | 0 | 111.2 | ||
| 257 | E | 86 | Confident | 92.9 | Very high | 165 Ų | 165 | 53.4 Ų | 53.4 | 77% | 0.771 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -119.8 | 143.4 | 172.8 | -66.5 | -172.4 | 176.7 | 0 | 0 | 110.7 | H259 | E257-H259 PolarHBondContact O-N 3.01Š|
| 258 | V | 93.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 51.8 Ų | 51.8 | 63% | 0.63 | 32% | 0.324 | S | S | * | . | B | Isolated β-bridge | trans | -73.1 | 120.4 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | L253 L262 | L253-V258 WeakPolarHBondContact O-CA 3.34Å; V258-L262 HydrophobicContact CG1-CD1 3.82Å |
| 259 | H | 94.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | trans | -64.7 | 131.2 | -177.4 | -172.6 | -80.8 | 0 | 0 | 0 | 110.6 | L253 E257 V261 L262 E349 | L253-H259 HydrophobicContact CB-CB 4.24Å; L253-H259 HydrophobicContact CD2-CB 3.74Å; L253-H259 PolarHBondContact O-N 3.47Å; E257-H259 PolarHBondContact O-N 3.01Å; H259-V261 HydrophobicContact CB-CG1 4.39Å; H259-V261 VanDerWaalsContact ND1-CB 3.28Å; H259-V261 WeakPolarHBondContact ND1-CB 3.28Å; H259-V261 WeakPolarHBondContact ND1-CG1 3.45Å; H259-V261 PolarHBondContact ND1-N 3.06Å; H259-V261 VanDerWaalsContact ND1-N 3.17Å; H259-V261 PolarHBondContact O-N 3.43Å; H259-L262 PolarHBondContact O-N 2.86Å; H259-L262 VanDerWaalsContact O-N 3.16Å; H259-E349 IonicContact CD2-OE1 2.84Å; H259-E349 PolarHBondContact CD2-OE1 3.4Å; H259-E349 IonicContact NE2-OE1 3.09Å; H259-E349 PolarHBondContact NE2-OE1 3.2Å | ||
| 260 | P | 94.7 | Very high | 92.8 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -57.7 | -20.1 | -173.3 | -27.5 | 33.9 | 0 | 0 | 0 | 115.4 | L262 G263 F344 V348 | P260-L262 PolarHBondContact O-N 3Å; P260-L262 VanDerWaalsContact O-N 3.14Å; P260-G263 WeakPolarHBondContact O-CA 3.22Å; P260-G263 PolarHBondContact O-N 3.27Å; P260-F344 HydrophobicContact CB-CE1 4.05Å; P260-F344 HydrophobicContact CB-CZ 4.11Å; P260-V348 HydrophobicContact CG-CG1 4.26Å |
| 261 | V | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -55.8 | -30.7 | 178 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | L253 H259 G263 L264 W267 A315 V341 F344 V345 | L253-V261 HydrophobicContact CD1-CG1 4.26Å; L253-V261 HydrophobicContact CD2-CG1 3.87Å; H259-V261 HydrophobicContact CB-CG1 4.39Å; H259-V261 VanDerWaalsContact ND1-CB 3.28Å; H259-V261 WeakPolarHBondContact ND1-CB 3.28Å; H259-V261 WeakPolarHBondContact ND1-CG1 3.45Å; H259-V261 PolarHBondContact ND1-N 3.06Å; H259-V261 VanDerWaalsContact ND1-N 3.17Å; H259-V261 PolarHBondContact O-N 3.43Å; V261-G263 PolarHBondContact O-N 3.27Å; V261-L264 HydrophobicContact CG2-CD1 3.73Å; V261-L264 HydrophobicContact CG2-CG 4.45Å; V261-L264 WeakPolarHBondContact O-CB 3.36Å; V261-L264 WeakPolarHBondContact O-CG 3.42Å; V261-L264 PolarHBondContact O-N 2.94Å; V261-W267 HydrophobicContact CG2-CH2 4.15Å; V261-W267 HydrophobicContact CG2-CZ2 4.21Å; V261-A315 HydrophobicContact CG1-CB 4.01Å; V261-A315 HydrophobicContact CG2-CB 4.05Å; V261-V341 HydrophobicContact CG2-CG1 4.1Å; V261-F344 HydrophobicContact CB-CD1 4.03Å; V261-F344 HydrophobicContact CB-CE1 4.14Å; V261-F344 HydrophobicContact CG2-CD1 4.04Å; V261-V345 HydrophobicContact CB-CG2 4.3Å; V261-V345 HydrophobicContact CG2-CG2 3.87Å |
| 262 | L | 94.2 | Very high | 92.8 | Very high | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -67.5 | -19.8 | 177 | -63.8 | 180 | 0 | 0 | 0 | 112.3 | L253 V258 H259 P260 L264 W267 R271 L274 P312 | L253-L262 HydrophobicContact CB-CD1 4.16Å; L253-L262 HydrophobicContact CD1-CD2 3.99Å; L253-L262 HydrophobicContact CD1-CG 4.44Å; V258-L262 HydrophobicContact CG1-CD1 3.82Å; H259-L262 PolarHBondContact O-N 2.86Å; H259-L262 VanDerWaalsContact O-N 3.16Å; P260-L262 PolarHBondContact O-N 3Å; P260-L262 VanDerWaalsContact O-N 3.14Å; L262-L264 VanDerWaalsContact C-N 3.35Å; L262-W267 HydrophobicContact CD2-CE3 4.35Å; L262-W267 HydrophobicContact CD2-CZ3 4.12Å; L262-R271 WeakPolarHBondContact O-CD 3.32Å; L262-R271 VanDerWaalsContact O-CG 3.32Å; L262-R271 WeakPolarHBondContact O-CG 3.38Å; L262-R271 PolarHBondContact O-NH1 3.09Å; L262-L274 HydrophobicContact CD1-CD2 3.7Å; L262-L274 HydrophobicContact CD2-CD2 4.05Å; L262-P312 HydrophobicContact CD2-CB 4.23Å |
| 263 | G | 92.7 | Very high | 92.9 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -84.7 | 0.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | P260 V261 | P260-G263 WeakPolarHBondContact O-CA 3.22Å; P260-G263 PolarHBondContact O-N 3.27Å; V261-G263 PolarHBondContact O-N 3.27Å |
| 264 | L | 91.7 | Very high | 92.9 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | trans | -57.4 | 142.1 | -179.1 | -82.9 | 176 | 0 | 0 | 0 | 112.1 | V261 L262 W267 R271 F344 | V261-L264 HydrophobicContact CG2-CD1 3.73Å; V261-L264 HydrophobicContact CG2-CG 4.45Å; V261-L264 WeakPolarHBondContact O-CB 3.36Å; V261-L264 WeakPolarHBondContact O-CG 3.42Å; V261-L264 PolarHBondContact O-N 2.94Å; L262-L264 VanDerWaalsContact C-N 3.35Å; L264-W267 HydrophobicContact CB-CD2 4.36Å; L264-W267 HydrophobicContact CB-CG 3.96Å; L264-W267 VanDerWaalsContact CB-NE1 3.31Å; L264-W267 HydrophobicContact CD1-CZ2 4.06Å; L264-W267 WeakPolarHBondContact O-CB 3.49Å; L264-W267 PolarHBondContact O-N 2.98Å; L264-R271 PolarHBondContact O-NH1 3.43Å; L264-R271 VanDerWaalsContact O-NH1 3.09Å; L264-F344 HydrophobicContact CD1-CB 4.27Å; L264-F344 HydrophobicContact CD1-CD1 4.31Å; L264-F344 HydrophobicContact CD1-CG 4.17Å; L264-F344 HydrophobicContact CD2-CB 4.39Å; L264-F344 HydrophobicContact CD2-CD1 4.33Å; L264-F344 HydrophobicContact CD2-CD2 3.52Å; L264-F344 HydrophobicContact CD2-CE2 3.76Å; L264-F344 HydrophobicContact CD2-CG 3.81Å; L264-F344 HydrophobicContact CD2-CZ 4.27Å; L264-F344 HydrophobicContact CG-CD1 4.31Å; L264-F344 HydrophobicContact CG-CD2 4.36Å; L264-F344 HydrophobicContact CG-CG 4.22Å | ||
| 265 | P | 90.3 | Very high | 93 | Very high | 117 Ų | 117 | 66.7 Ų | 66.7 | 76% | 0.76 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 140 | 172.6 | -25.4 | 34.8 | 0 | 0 | 0 | 111.6 | W267 | P265-W267 VanDerWaalsContact C-N 3.33Å; P265-W267 PolarHBondContact O-N 3.44Å |
| 266 | G | 91.1 | Very high | 93.6 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 67% | 0.67 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 6.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G268 R311 | G266-G268 VanDerWaalsContact C-N 3.33Å; G266-R311 PolarHBondContact O-NH1 3.39Å |
| 267 | W | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | trans | -92.6 | 20.6 | 173.3 | -73.3 | 57.8 | 0 | 0 | 0 | 113.8 | V261 L262 L264 P265 I269 E270 R271 R311 P312 A315 V341 | V261-W267 HydrophobicContact CG2-CH2 4.15Å; V261-W267 HydrophobicContact CG2-CZ2 4.21Å; L262-W267 HydrophobicContact CD2-CE3 4.35Å; L262-W267 HydrophobicContact CD2-CZ3 4.12Å; L264-W267 HydrophobicContact CB-CD2 4.36Å; L264-W267 HydrophobicContact CB-CG 3.96Å; L264-W267 VanDerWaalsContact CB-NE1 3.31Å; L264-W267 HydrophobicContact CD1-CZ2 4.06Å; L264-W267 WeakPolarHBondContact O-CB 3.49Å; L264-W267 PolarHBondContact O-N 2.98Å; P265-W267 VanDerWaalsContact C-N 3.33Å; P265-W267 PolarHBondContact O-N 3.44Å; W267-I269 PolarHBondContact O-N 2.9Å; W267-E270 VanDerWaalsContact CA-OE2 3.23Å; W267-E270 WeakPolarHBondContact CA-OE2 3.33Å; W267-E270 HydrophobicContact CE3-CB 4.29Å; W267-E270 PolarHBondContact O-N 3.45Å; W267-R271 WeakPolarHBondContact O-CB 3.45Å; W267-R271 WeakPolarHBondContact O-CG 3.41Å; W267-R271 PolarHBondContact O-N 3.19Å; W267-R311 VanDerWaalsContact CE2-CZ 3.41Å; W267-R311 HydrophobicContact CH2-CB 4.47Å; W267-R311 HydrophobicContact CH2-CG 3.74Å; W267-R311 HydrophobicContact CZ2-CG 3.67Å; W267-R311 HydrophobicContact CZ3-CG 4.31Å; W267-P312 HydrophobicContact CE3-CG 4.28Å; W267-P312 HydrophobicContact CZ3-CB 4.23Å; W267-P312 HydrophobicContact CZ3-CG 3.86Å; W267-A315 HydrophobicContact CH2-CB 3.98Å; W267-V341 HydrophobicContact CH2-CG1 4.3Å; W267-V341 HydrophobicContact CZ2-CG1 4.05Å; W267-V341 HydrophobicContact CZ2-CG2 3.68Å | ||
| 268 | G | 94.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | G266 R271 I272 | G266-G268 VanDerWaalsContact C-N 3.33Å; G268-R271 PolarHBondContact O-N 2.88Å; G268-I272 WeakPolarHBondContact O-CG1 3.26Å; G268-I272 PolarHBondContact O-N 3.33Å; G268-I272 VanDerWaalsContact O-N 3.11Å |
| 269 | I | 95.2 | Very high | 94.9 | Very high | 130 Ų | 130 | 51.8 Ų | 51.8 | 67% | 0.667 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | -179.7 | -64.6 | 170.9 | 0 | 0 | 0 | 110.3 | W267 I272 A273 A308 | W267-I269 PolarHBondContact O-N 2.9Å; I269-I272 PolarHBondContact O-N 3.41Å; I269-A273 WeakPolarHBondContact O-CB 3.19Å; I269-A273 PolarHBondContact O-N 3.27Å; I269-A308 HydrophobicContact CG2-CB 4.13Å |
| 270 | E | 96 | Very high | 95 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | -179.2 | -61.4 | 94.7 | 145.2 | 0 | 0 | 111.9 | W267 A273 L274 A308 R311 P312 | W267-E270 VanDerWaalsContact CA-OE2 3.23Å; W267-E270 WeakPolarHBondContact CA-OE2 3.33Å; W267-E270 HydrophobicContact CE3-CB 4.29Å; W267-E270 PolarHBondContact O-N 3.45Å; E270-A273 PolarHBondContact O-N 3.36Å; E270-L274 VanDerWaalsContact O-CB 3.29Å; E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 PolarHBondContact O-N 3.07Å; E270-A308 WeakPolarHBondContact CB-O 3.33Å; E270-A308 WeakPolarHBondContact CG-O 3.47Å; E270-R311 HydrophobicContact CG-CB 4.45Å; E270-R311 WeakPolarHBondContact OE1-CD 3.49Å; E270-R311 IonicContact OE1-CZ 3.6Å; E270-R311 IonicContact OE1-NE 3.55Å; E270-R311 IonicContact OE1-NH1 3.76Å; E270-R311 PolarHBondContact OE1-NH1 3.27Å; E270-R311 IonicContact OE2-NH1 2.69Å; E270-P312 HydrophobicContact CB-CG 3.83Å; E270-P312 HydrophobicContact CG-CG 4.37Å |
| 271 | R | 95.6 | Very high | 95 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 173.4 | -78.1 | -168.1 | -67.3 | -90.8 | 4.4 | 112 | L262 L264 W267 G268 A273 L274 Q275 | L262-R271 WeakPolarHBondContact O-CD 3.32Å; L262-R271 VanDerWaalsContact O-CG 3.32Å; L262-R271 WeakPolarHBondContact O-CG 3.38Å; L262-R271 PolarHBondContact O-NH1 3.09Å; L264-R271 PolarHBondContact O-NH1 3.43Å; L264-R271 VanDerWaalsContact O-NH1 3.09Å; W267-R271 WeakPolarHBondContact O-CB 3.45Å; W267-R271 WeakPolarHBondContact O-CG 3.41Å; W267-R271 PolarHBondContact O-N 3.19Å; G268-R271 PolarHBondContact O-N 2.88Å; R271-A273 VanDerWaalsContact C-N 3.34Å; R271-L274 PolarHBondContact O-N 3.29Å; R271-Q275 WeakPolarHBondContact O-CB 3.48Å; R271-Q275 PolarHBondContact O-N 3.16Å |
| 272 | I | 96.8 | Very high | 95.1 | Very high | 100 Ų | 100 | 58 Ų | 58 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 177.7 | -67.6 | 165.6 | 0 | 0 | 0 | 110.1 | G268 I269 L274 Q275 N276 | G268-I272 WeakPolarHBondContact O-CG1 3.26Å; G268-I272 PolarHBondContact O-N 3.33Å; G268-I272 VanDerWaalsContact O-N 3.11Å; I269-I272 PolarHBondContact O-N 3.41Å; I272-L274 PolarHBondContact O-N 2.79Å; I272-Q275 PolarHBondContact O-N 2.81Å; I272-N276 VanDerWaalsContact O-CG 3.24Å; I272-N276 PolarHBondContact O-N 2.99Å; I272-N276 PolarHBondContact O-ND2 2.91Å |
| 273 | A | 96.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 62 Ų | 62 | 12% | 0.116 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I269 E270 R271 Q275 N276 S277 A308 L309 | I269-A273 WeakPolarHBondContact O-CB 3.19Å; I269-A273 PolarHBondContact O-N 3.27Å; E270-A273 PolarHBondContact O-N 3.36Å; R271-A273 VanDerWaalsContact C-N 3.34Å; A273-Q275 PolarHBondContact O-N 3.42Å; A273-N276 PolarHBondContact O-N 3.06Å; A273-S277 PolarHBondContact O-N 3.42Å; A273-S277 PolarHBondContact O-OG 3.37Å; A273-A308 HydrophobicContact CB-CB 3.54Å; A273-L309 HydrophobicContact CB-CD2 4.33Å |
| 274 | L | 97.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 178.5 | 180 | 57 | 0 | 0 | 0 | 112.4 | F246 I249 L262 E270 R271 I272 N276 S277 I278 L309 | F246-L274 HydrophobicContact CE2-CD1 4.16Å; I249-L274 HydrophobicContact CG2-CD1 3.61Å; I249-L274 HydrophobicContact CG2-CD2 3.9Å; I249-L274 HydrophobicContact CG2-CG 4.43Å; L262-L274 HydrophobicContact CD1-CD2 3.7Å; L262-L274 HydrophobicContact CD2-CD2 4.05Å; E270-L274 VanDerWaalsContact O-CB 3.29Å; E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 PolarHBondContact O-N 3.07Å; R271-L274 PolarHBondContact O-N 3.29Å; I272-L274 PolarHBondContact O-N 2.79Å; L274-N276 VanDerWaalsContact C-N 3.35Å; L274-N276 PolarHBondContact O-N 3.3Å; L274-S277 PolarHBondContact O-N 2.88Å; L274-I278 HydrophobicContact CD1-CD1 3.91Å; L274-I278 HydrophobicContact CD1-CG1 4.1Å; L274-I278 HydrophobicContact CG-CD1 3.93Å; L274-I278 HydrophobicContact CG-CG1 4.5Å; L274-I278 WeakPolarHBondContact O-CG1 3.46Å; L274-I278 PolarHBondContact O-N 2.72Å; L274-L309 HydrophobicContact CB-CD2 3.98Å; L274-L309 HydrophobicContact CD1-CD2 4.21Å |
| 275 | Q | 96.6 | Very high | 95.3 | Very high | 126 Ų | 126 | 61.4 Ų | 61.4 | 59% | 0.589 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.4 | -47 | 176.1 | -176.6 | 177.8 | 1.4 | 0 | 0 | 110.9 | R271 I272 A273 S277 I278 S279 | R271-Q275 WeakPolarHBondContact O-CB 3.48Å; R271-Q275 PolarHBondContact O-N 3.16Å; I272-Q275 PolarHBondContact O-N 2.81Å; A273-Q275 PolarHBondContact O-N 3.42Å; Q275-S277 VanDerWaalsContact C-N 3.35Å; Q275-S277 PolarHBondContact O-N 3.28Å; Q275-I278 PolarHBondContact O-N 3.21Å; Q275-S279 WeakPolarHBondContact O-CB 3.23Å; Q275-S279 PolarHBondContact O-N 3.46Å; Q275-S279 PolarHBondContact O-OG 3.29Å; Q275-S279 VanDerWaalsContact O-OG 3.07Å |
| 276 | N | 96.9 | Very high | 95.4 | Very high | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 178.3 | -65.8 | -21.8 | 0 | 0 | 0 | 111.9 | I272 A273 L274 S279 K280 I303 | I272-N276 VanDerWaalsContact O-CG 3.24Å; I272-N276 PolarHBondContact O-N 2.99Å; I272-N276 PolarHBondContact O-ND2 2.91Å; A273-N276 PolarHBondContact O-N 3.06Å; L274-N276 VanDerWaalsContact C-N 3.35Å; L274-N276 PolarHBondContact O-N 3.3Å; N276-S279 PolarHBondContact O-N 2.91Å; N276-K280 WeakPolarHBondContact O-CB 3.27Å; N276-K280 PolarHBondContact O-N 3.24Å; N276-I303 HydrophobicContact CB-CD1 3.52Å; N276-I303 HydrophobicContact CB-CG1 4.48Å |
| 277 | S | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 173.6 | -55 | 0 | 0 | 0 | 0 | 111.6 | A273 L274 Q275 K280 W281 I303 F304 | A273-S277 PolarHBondContact O-N 3.42Å; A273-S277 PolarHBondContact O-OG 3.37Å; L274-S277 PolarHBondContact O-N 2.88Å; Q275-S277 VanDerWaalsContact C-N 3.35Å; Q275-S277 PolarHBondContact O-N 3.28Å; S277-K280 PolarHBondContact O-N 2.78Å; S277-W281 WeakPolarHBondContact O-CB 3.35Å; S277-W281 PolarHBondContact O-N 3.24Å; S277-I303 PolarHBondContact OG-O 2.82Å; S277-F304 VanDerWaalsContact O-CE1 3.28Å; S277-F304 WeakPolarHBondContact O-CE1 3.44Å |
| 278 | I | 96.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 177.6 | -69.7 | 170.1 | 0 | 0 | 0 | 110.6 | F246 L250 L274 Q275 K280 W281 L282 | F246-I278 HydrophobicContact CE2-CG1 4.41Å; F246-I278 HydrophobicContact CZ-CG1 4.37Å; L250-I278 HydrophobicContact CD2-CD1 4.32Å; L250-I278 HydrophobicContact CD2-CG1 4.02Å; L274-I278 HydrophobicContact CD1-CD1 3.91Å; L274-I278 HydrophobicContact CD1-CG1 4.1Å; L274-I278 HydrophobicContact CG-CD1 3.93Å; L274-I278 HydrophobicContact CG-CG1 4.5Å; L274-I278 WeakPolarHBondContact O-CG1 3.46Å; L274-I278 PolarHBondContact O-N 2.72Å; Q275-I278 PolarHBondContact O-N 3.21Å; I278-K280 PolarHBondContact O-N 2.85Å; I278-W281 WeakPolarHBondContact O-CB 3.45Å; I278-W281 PolarHBondContact O-N 2.57Å; I278-W281 VanDerWaalsContact O-N 3.14Å; I278-L282 HydrophobicContact CG2-CD1 4.01Å; I278-L282 HydrophobicContact CG2-CG 4.35Å; I278-L282 VanDerWaalsContact O-CG 3.31Å; I278-L282 WeakPolarHBondContact O-CG 3.38Å; I278-L282 PolarHBondContact O-N 2.98Å |
| 279 | S | 96.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 67.4 Ų | 67.4 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.6 | -49.3 | 176.2 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | Q275 N276 W281 L282 T283 | Q275-S279 WeakPolarHBondContact O-CB 3.23Å; Q275-S279 PolarHBondContact O-N 3.46Å; Q275-S279 PolarHBondContact O-OG 3.29Å; Q275-S279 VanDerWaalsContact O-OG 3.07Å; N276-S279 PolarHBondContact O-N 2.91Å; S279-W281 VanDerWaalsContact C-N 3.34Å; S279-W281 PolarHBondContact O-N 2.92Å; S279-L282 PolarHBondContact O-N 2.99Å; S279-T283 WeakPolarHBondContact O-CG2 3.44Å; S279-T283 PolarHBondContact O-N 3.38Å |
| 280 | K | 95.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.6 | -177.9 | 64 | 178 | -175.5 | 0 | 112.4 | N276 S277 I278 L282 T283 E300 I303 F304 | N276-K280 WeakPolarHBondContact O-CB 3.27Å; N276-K280 PolarHBondContact O-N 3.24Å; S277-K280 PolarHBondContact O-N 2.78Å; I278-K280 PolarHBondContact O-N 2.85Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 2.78Å; K280-T283 PolarHBondContact O-N 2.91Å; K280-T283 PolarHBondContact O-OG1 3.48Å; K280-E300 WeakPolarHBondContact CE-O 3.49Å; K280-I303 HydrophobicContact CB-CG2 4.2Å; K280-I303 HydrophobicContact CG-CG2 4.1Å; K280-F304 HydrophobicContact CB-CE1 4.24Å; K280-F304 HydrophobicContact CB-CZ 4.17Å; K280-F304 HydrophobicContact CG-CE1 4.25Å; K280-F304 HydrophobicContact CG-CE2 4.41Å; K280-F304 HydrophobicContact CG-CZ 3.69Å |
| 281 | W | 95.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 62 Ų | 62 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 176.1 | 177.3 | -106.7 | 0 | 0 | 0 | 112 | M240 L243 F246 L250 S277 I278 S279 T283 I284 R289 F304 | M240-W281 HydrophobicContact CE-CH2 3.79Å; M240-W281 HydrophobicContact CE-CZ2 3.77Å; M240-W281 HydrophobicContact SD-CH2 3.68Å; M240-W281 HydrophobicContact SD-CZ2 4.3Å; L243-W281 HydrophobicContact CD1-CH2 4.36Å; L243-W281 HydrophobicContact CD1-CZ3 3.76Å; F246-W281 HydrophobicContact CD1-CE3 4.42Å; F246-W281 HydrophobicContact CE1-CB 4.05Å; F246-W281 AromaticContact CE1-CD2 3.82Å; F246-W281 HydrophobicContact CE1-CD2 3.82Å; F246-W281 AromaticContact CE1-CE3 3.78Å; F246-W281 HydrophobicContact CE1-CE3 3.78Å; F246-W281 AromaticContact CE1-CG 3.97Å; F246-W281 HydrophobicContact CE1-CG 3.97Å; F246-W281 HydrophobicContact CE1-CZ3 4.39Å; F246-W281 HydrophobicContact CZ-CB 4.05Å; F246-W281 HydrophobicContact CZ-CG 4.3Å; L250-W281 HydrophobicContact CD1-CZ2 4.43Å; S277-W281 WeakPolarHBondContact O-CB 3.35Å; S277-W281 PolarHBondContact O-N 3.24Å; I278-W281 WeakPolarHBondContact O-CB 3.45Å; I278-W281 PolarHBondContact O-N 2.57Å; I278-W281 VanDerWaalsContact O-N 3.14Å; S279-W281 VanDerWaalsContact C-N 3.34Å; S279-W281 PolarHBondContact O-N 2.92Å; W281-T283 VanDerWaalsContact C-N 3.35Å; W281-I284 PolarHBondContact O-N 3.45Å; W281-R289 HydrophobicContact CD2-CB 4.4Å; W281-R289 HydrophobicContact CD2-CG 4.1Å; W281-R289 HydrophobicContact CE3-CB 4.44Å; W281-R289 HydrophobicContact CE3-CG 4.36Å; W281-R289 HydrophobicContact CH2-CB 3.62Å; W281-R289 HydrophobicContact CH2-CG 4.35Å; W281-R289 WeakPolarHBondContact CH2-O 3.39Å; W281-R289 HydrophobicContact CZ2-CB 3.52Å; W281-R289 HydrophobicContact CZ2-CG 4.06Å; W281-R289 HydrophobicContact CZ3-CB 4.08Å; W281-R289 HydrophobicContact CZ3-CG 4.48Å; W281-R289 WeakPolarHBondContact CZ3-O 3.37Å; W281-R289 PolarHBondContact O-NE 3.16Å; W281-R289 VanDerWaalsContact O-NE 3.11Å; W281-F304 HydrophobicContact CB-CE1 3.93Å; W281-F304 HydrophobicContact CB-CZ 4.48Å; W281-F304 HydrophobicContact CE3-CE1 4.32Å; W281-F304 HydrophobicContact CE3-CZ 4.39Å |
| 282 | L | 95.4 | Very high | 95.4 | Very high | 101 Ų | 101 | 57.2 Ų | 57.2 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.4 | -28.5 | 179.6 | -68 | 173.7 | 0 | 0 | 0 | 112.8 | I278 S279 K280 I284 R289 | I278-L282 HydrophobicContact CG2-CD1 4.01Å; I278-L282 HydrophobicContact CG2-CG 4.35Å; I278-L282 VanDerWaalsContact O-CG 3.31Å; I278-L282 WeakPolarHBondContact O-CG 3.38Å; I278-L282 PolarHBondContact O-N 2.98Å; S279-L282 PolarHBondContact O-N 2.99Å; K280-L282 VanDerWaalsContact C-N 3.27Å; K280-L282 PolarHBondContact O-N 2.78Å; L282-I284 PolarHBondContact O-N 3.48Å; L282-R289 PolarHBondContact O-NH2 3.47Å |
| 283 | T | 95.7 | Very high | 95.2 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 61% | 0.613 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.9 | -19.1 | 174.4 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | S279 K280 W281 | S279-T283 WeakPolarHBondContact O-CG2 3.44Å; S279-T283 PolarHBondContact O-N 3.38Å; K280-T283 PolarHBondContact O-N 2.91Å; K280-T283 PolarHBondContact O-OG1 3.48Å; W281-T283 VanDerWaalsContact C-N 3.35Å |
| 284 | I | 93.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.046 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -80.1 | 136.2 | 179.8 | -61.9 | 170.2 | 0 | 0 | 0 | 109.1 | W281 L282 K286 R289 T292 Y296 F304 | W281-I284 PolarHBondContact O-N 3.45Å; L282-I284 PolarHBondContact O-N 3.48Å; I284-K286 PolarHBondContact O-N 3.42Å; I284-R289 HydrophobicContact CB-CG 3.99Å; I284-R289 HydrophobicContact CG2-CG 3.91Å; I284-R289 PolarHBondContact O-NE 2.92Å; I284-R289 PolarHBondContact O-NH2 3.28Å; I284-T292 HydrophobicContact CD1-CG2 3.38Å; I284-Y296 HydrophobicContact CG2-CE2 4.12Å; I284-F304 HydrophobicContact CD1-CE2 4.14Å; I284-F304 HydrophobicContact CD1-CZ 3.84Å |
| 285 | P | 93.4 | Very high | 94.9 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 41% | 0.409 | 27% | 0.267 | S | S | . | . | trans | -53.3 | 135.8 | 175.8 | -28 | 35.5 | 0 | 0 | 0 | 112.4 | T287 Y288 R289 | P285-T287 PolarHBondContact O-N 3.28Å; P285-T287 VanDerWaalsContact O-N 3.09Å; P285-Y288 HydrophobicContact CB-CD2 3.81Å; P285-Y288 HydrophobicContact CB-CE2 4.21Å; P285-Y288 HydrophobicContact CB-CG 4.25Å; P285-Y288 HydrophobicContact CG-CD2 3.78Å; P285-Y288 HydrophobicContact CG-CE2 4.08Å; P285-Y288 PolarHBondContact O-N 2.94Å; P285-R289 PolarHBondContact O-N 3.31Å; P285-R289 VanDerWaalsContact O-N 3.08Å | ||
| 286 | K | 93.6 | Very high | 94.6 | Very high | 170 Ų | 170 | 47.5 Ų | 47.5 | 74% | 0.739 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -37.4 | -173.2 | -170.5 | 177.3 | 179.9 | 179.6 | 0 | 113.1 | I284 Y288 | I284-K286 PolarHBondContact O-N 3.42Å; K286-Y288 VanDerWaalsContact C-N 3.32Å; K286-Y288 PolarHBondContact O-N 2.92Å |
| 287 | T | 91.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 45 Ų | 45 | 48% | 0.479 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.8 | 178.1 | -45.6 | 0 | 0 | 0 | 0 | 113 | P5 L6 P285 | P5-T287 HydrophobicContact CB-CG2 4.1Å; L6-T287 HydrophobicContact CD2-CG2 4.18Å; P285-T287 PolarHBondContact O-N 3.28Å; P285-T287 VanDerWaalsContact O-N 3.09Å |
| 288 | Y | 93.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -23.6 | -175.5 | -57.6 | -17.9 | 0 | 0 | 0 | 113.1 | L6 I9 P285 K286 P290 Y291 T292 I295 | L6-Y288 HydrophobicContact CD2-CD1 3.77Å; L6-Y288 HydrophobicContact CD2-CE1 4.05Å; I9-Y288 HydrophobicContact CG2-CD1 3.9Å; I9-Y288 HydrophobicContact CG2-CD2 4.24Å; I9-Y288 HydrophobicContact CG2-CE1 3.67Å; I9-Y288 HydrophobicContact CG2-CE2 4.01Å; I9-Y288 HydrophobicContact CG2-CG 4.2Å; P285-Y288 HydrophobicContact CB-CD2 3.81Å; P285-Y288 HydrophobicContact CB-CE2 4.21Å; P285-Y288 HydrophobicContact CB-CG 4.25Å; P285-Y288 HydrophobicContact CG-CD2 3.78Å; P285-Y288 HydrophobicContact CG-CE2 4.08Å; P285-Y288 PolarHBondContact O-N 2.94Å; K286-Y288 VanDerWaalsContact C-N 3.32Å; K286-Y288 PolarHBondContact O-N 2.92Å; Y288-P290 VanDerWaalsContact C-CD 3.47Å; Y288-P290 VanDerWaalsContact C-N 3.35Å; Y288-Y291 CarbonylContact O-C 3.46Å; Y288-Y291 WeakPolarHBondContact O-CA 3.26Å; Y288-Y291 PolarHBondContact O-N 2.82Å; Y288-T292 PolarHBondContact O-N 3.1Å; Y288-T292 VanDerWaalsContact O-N 3.16Å; Y288-I295 HydrophobicContact CG-CD1 4.2Å |
| 289 | R | 94.3 | Very high | 93.3 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -41.9 | -52.9 | -179.6 | -82.2 | 179.1 | -160 | 170.1 | 1.9 | 113.3 | W281 L282 I284 P285 Y291 T292 | W281-R289 HydrophobicContact CD2-CB 4.4Å; W281-R289 HydrophobicContact CD2-CG 4.1Å; W281-R289 HydrophobicContact CE3-CB 4.44Å; W281-R289 HydrophobicContact CE3-CG 4.36Å; W281-R289 HydrophobicContact CH2-CB 3.62Å; W281-R289 HydrophobicContact CH2-CG 4.35Å; W281-R289 WeakPolarHBondContact CH2-O 3.39Å; W281-R289 HydrophobicContact CZ2-CB 3.52Å; W281-R289 HydrophobicContact CZ2-CG 4.06Å; W281-R289 HydrophobicContact CZ3-CB 4.08Å; W281-R289 HydrophobicContact CZ3-CG 4.48Å; W281-R289 WeakPolarHBondContact CZ3-O 3.37Å; W281-R289 PolarHBondContact O-NE 3.16Å; W281-R289 VanDerWaalsContact O-NE 3.11Å; L282-R289 PolarHBondContact O-NH2 3.47Å; I284-R289 HydrophobicContact CB-CG 3.99Å; I284-R289 HydrophobicContact CG2-CG 3.91Å; I284-R289 PolarHBondContact O-NE 2.92Å; I284-R289 PolarHBondContact O-NH2 3.28Å; P285-R289 PolarHBondContact O-N 3.31Å; P285-R289 VanDerWaalsContact O-N 3.08Å; R289-Y291 PolarHBondContact O-N 2.9Å; R289-T292 WeakPolarHBondContact CA-OG1 3.31Å; R289-T292 WeakPolarHBondContact O-CB 3.43Å; R289-T292 PolarHBondContact O-N 3.46Å; R289-T292 VanDerWaalsContact O-N 3.11Å; R289-T292 PolarHBondContact O-OG1 2.92Å |
| 290 | P | 95.5 | Very high | 93 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -59.6 | -21.5 | -179.6 | -22.9 | 34.5 | 0 | 0 | 0 | 114.6 | K239 M240 Y288 | K239-P290 CarbonylContact C-O 3.6Å; K239-P290 HydrophobicContact CB-CB 4.01Å; K239-P290 HydrophobicContact CD-CB 4.45Å; K239-P290 HydrophobicContact CG-CB 3.89Å; M240-P290 WeakPolarHBondContact CA-O 3.37Å; M240-P290 PolarHBondContact N-O 2.66Å; Y288-P290 VanDerWaalsContact C-CD 3.47Å; Y288-P290 VanDerWaalsContact C-N 3.35Å |
| 291 | Y | 96 | Very high | 92.9 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -112.6 | 12.7 | -175.9 | -52.3 | -70.4 | 0 | 0 | 0 | 112.4 | L6 L216 I235 L238 K239 Y288 R289 R293 I294 I295 | L6-Y291 HydrophobicContact CD1-CD2 4.11Å; L6-Y291 HydrophobicContact CD1-CE2 4.08Å; L6-Y291 HydrophobicContact CD2-CD2 4.2Å; L6-Y291 HydrophobicContact CD2-CE2 4.42Å; L216-Y291 HydrophobicContact CD1-CD1 3.89Å; L216-Y291 HydrophobicContact CD1-CE1 4.22Å; L216-Y291 HydrophobicContact CD1-CG 4.3Å; L216-Y291 HydrophobicContact CD2-CD1 4.38Å; L216-Y291 HydrophobicContact CD2-CG 4Å; I235-Y291 HydrophobicContact CD1-CE1 4.11Å; I235-Y291 WeakPolarHBondContact O-CE1 3.47Å; I235-Y291 PolarHBondContact O-OH 2.99Å; L238-Y291 HydrophobicContact CB-CD1 4.36Å; L238-Y291 HydrophobicContact CB-CE1 4.1Å; K239-Y291 HydrophobicContact CB-CE1 4.42Å; K239-Y291 WeakPolarHBondContact CE-OH 3.37Å; K239-Y291 HydrophobicContact CG-CE1 3.66Å; K239-Y291 HydrophobicContact CG-CE2 4.45Å; K239-Y291 VanDerWaalsContact CG-OH 3.26Å; K239-Y291 WeakPolarHBondContact CG-OH 3.5Å; Y288-Y291 CarbonylContact O-C 3.46Å; Y288-Y291 WeakPolarHBondContact O-CA 3.26Å; Y288-Y291 PolarHBondContact O-N 2.82Å; R289-Y291 PolarHBondContact O-N 2.9Å; Y291-R293 VanDerWaalsContact C-N 3.33Å; Y291-R293 PolarHBondContact O-N 2.94Å; Y291-I294 HydrophobicContact CD1-CD1 4.19Å; Y291-I294 WeakPolarHBondContact O-CA 3.3Å; Y291-I294 WeakPolarHBondContact O-CB 3.31Å; Y291-I294 PolarHBondContact O-N 3.08Å; Y291-I295 WeakPolarHBondContact O-CG1 3.45Å; Y291-I295 PolarHBondContact O-N 3.45Å |
| 292 | T | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -49.5 | -48.2 | -171.5 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | I284 Y288 R289 I294 I295 Y296 T301 F304 | I284-T292 HydrophobicContact CD1-CG2 3.38Å; Y288-T292 PolarHBondContact O-N 3.1Å; Y288-T292 VanDerWaalsContact O-N 3.16Å; R289-T292 WeakPolarHBondContact CA-OG1 3.31Å; R289-T292 WeakPolarHBondContact O-CB 3.43Å; R289-T292 PolarHBondContact O-N 3.46Å; R289-T292 VanDerWaalsContact O-N 3.11Å; R289-T292 PolarHBondContact O-OG1 2.92Å; T292-I294 VanDerWaalsContact C-N 3.27Å; T292-I294 PolarHBondContact O-N 2.62Å; T292-I295 PolarHBondContact O-N 3.13Å; T292-Y296 HydrophobicContact CG2-CD2 3.99Å; T292-Y296 WeakPolarHBondContact O-CD2 3.07Å; T292-Y296 PolarHBondContact O-N 2.77Å; T292-T301 HydrophobicContact CG2-CG2 3.67Å; T292-F304 HydrophobicContact CG2-CD2 4.2Å; T292-F304 HydrophobicContact CG2-CE2 3.54Å; T292-F304 HydrophobicContact CG2-CZ 4.27Å |
| 293 | R | 92.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 48 Ų | 48 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76 | -9.5 | -179.9 | -73.1 | -80.2 | -77.1 | 148.2 | 6.6 | 114.4 | E159 R242 L243 Y291 D298 T301 | E159-R293 IonicContact OE1-NH2 2.96Å; R242-R293 HydrophobicContact CB-CB 3.57Å; R242-R293 HydrophobicContact CB-CG 4.18Å; R242-R293 PolarHBondContact NH1-O 2.9Å; R242-R293 PolarHBondContact O-NE 2.93Å; L243-R293 HydrophobicContact CD1-CG 4.04Å; L243-R293 HydrophobicContact CD2-CB 4.44Å; L243-R293 HydrophobicContact CD2-CG 3.25Å; L243-R293 HydrophobicContact CG-CB 4.04Å; L243-R293 HydrophobicContact CG-CG 3.33Å; Y291-R293 VanDerWaalsContact C-N 3.33Å; Y291-R293 PolarHBondContact O-N 2.94Å; R293-D298 IonicContact CZ-OD1 2.99Å; R293-D298 IonicContact NH1-OD1 3.5Å; R293-D298 PolarHBondContact NH1-OD1 2.98Å; R293-D298 IonicContact NH2-OD1 2.64Å; R293-D298 PolarHBondContact NH2-OD1 3.08Å; R293-T301 WeakPolarHBondContact CD-OG1 3.38Å; R293-T301 PolarHBondContact NH1-OG1 3.38Å |
| 294 | I | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -83.3 | -45.7 | 167.6 | -61.2 | 175.5 | 0 | 0 | 0 | 108.6 | I156 R212 L216 L238 S241 Y291 T292 | I156-I294 HydrophobicContact CB-CG2 4.43Å; I156-I294 HydrophobicContact CD1-CD1 4.43Å; I156-I294 HydrophobicContact CD1-CG2 4.02Å; I156-I294 HydrophobicContact CG1-CD1 4.2Å; I156-I294 HydrophobicContact CG1-CG2 4.17Å; R212-I294 HydrophobicContact CB-CG2 3.79Å; R212-I294 VanDerWaalsContact CB-O 3.3Å; R212-I294 WeakPolarHBondContact CB-O 3.48Å; R212-I294 PolarHBondContact NE-O 2.92Å; L216-I294 HydrophobicContact CB-CG2 4.18Å; L216-I294 HydrophobicContact CD1-CD1 4.19Å; L216-I294 HydrophobicContact CD2-CB 4.45Å; L216-I294 HydrophobicContact CD2-CG2 4.02Å; L216-I294 HydrophobicContact CG-CG2 4.49Å; L238-I294 HydrophobicContact CB-CD1 3.98Å; L238-I294 HydrophobicContact CD2-CD1 3.93Å; L238-I294 HydrophobicContact CG-CD1 4.42Å; S241-I294 VanDerWaalsContact OG-CD1 3.28Å; S241-I294 WeakPolarHBondContact OG-CD1 3.26Å; Y291-I294 HydrophobicContact CD1-CD1 4.19Å; Y291-I294 WeakPolarHBondContact O-CA 3.3Å; Y291-I294 WeakPolarHBondContact O-CB 3.31Å; Y291-I294 PolarHBondContact O-N 3.08Å; T292-I294 VanDerWaalsContact C-N 3.27Å; T292-I294 PolarHBondContact O-N 2.62Å |
| 295 | I | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.3 | -48.3 | -172 | -62 | 168.3 | 0 | 0 | 0 | 112 | I9 L12 R213 L216 Y288 Y291 T292 | I9-I295 HydrophobicContact CB-CG2 4.4Å; I9-I295 HydrophobicContact CD1-CD1 4.48Å; I9-I295 HydrophobicContact CD1-CG1 4.15Å; I9-I295 HydrophobicContact CG2-CD1 4Å; I9-I295 HydrophobicContact CG2-CG1 4.49Å; I9-I295 HydrophobicContact CG2-CG2 4.41Å; L12-I295 HydrophobicContact CD1-CG2 3.71Å; R213-I295 HydrophobicContact CG-CG2 4.22Å; R213-I295 VanDerWaalsContact CZ-O 3.24Å; R213-I295 PolarHBondContact NE-O 2.83Å; R213-I295 PolarHBondContact NH2-O 2.88Å; L216-I295 HydrophobicContact CD2-CD1 4.29Å; L216-I295 HydrophobicContact CD2-CG1 3.89Å; Y288-I295 HydrophobicContact CG-CD1 4.2Å; Y291-I295 WeakPolarHBondContact O-CG1 3.45Å; Y291-I295 PolarHBondContact O-N 3.45Å; T292-I295 PolarHBondContact O-N 3.13Å |
| 296 | Y | 90.7 | Very high | 92.4 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -100.9 | 164.6 | -169.8 | -61.9 | -79.4 | 0 | 0 | 0 | 112 | L12 R212 I284 T292 E300 T301 | L12-Y296 HydrophobicContact CD1-CE1 4.14Å; R212-Y296 PolarHBondContact NH2-O 2.88Å; R212-Y296 VanDerWaalsContact NH2-O 3.12Å; I284-Y296 HydrophobicContact CG2-CE2 4.12Å; T292-Y296 HydrophobicContact CG2-CD2 3.99Å; T292-Y296 WeakPolarHBondContact O-CD2 3.07Å; T292-Y296 PolarHBondContact O-N 2.77Å; Y296-E300 WeakPolarHBondContact CD1-OE1 3.26Å; Y296-T301 VanDerWaalsContact CB-CG2 3.43Å; Y296-T301 HydrophobicContact CG-CG2 4.35Å |
| 297 | S | 87.9 | Confident | 92.3 | Very high | 24 Ų | 24 | 44.6 Ų | 44.6 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | trans | -73.7 | 163.3 | 179.9 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | C209 E299 E300 T301 | C209-S297 WeakPolarHBondContact SG-CA 3.32Å; S297-E299 PolarHBondContact O-N 3.42Å; S297-E299 WeakPolarHBondContact OG-CB 3.22Å; S297-E299 PolarHBondContact OG-N 3.47Å; S297-E300 PolarHBondContact N-OE2 3.43Å; S297-E300 PolarHBondContact O-N 3.16Å; S297-E300 WeakPolarHBondContact OG-CG 3.19Å; S297-E300 PolarHBondContact OG-N 3.27Å; S297-E300 VanDerWaalsContact OG-N 3.16Å; S297-E300 PolarHBondContact OG-OE2 2.7Å; S297-T301 WeakPolarHBondContact O-CB 3.25Å; S297-T301 PolarHBondContact O-N 3.07Å; S297-T301 VanDerWaalsContact O-N 3.1Å; S297-T301 PolarHBondContact O-OG1 3.31Å | ||
| 298 | D | 87.6 | Confident | 92.5 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.3 | -29.8 | 174.3 | -69 | -1.5 | 0 | 0 | 0 | 111.5 | R242 R293 G302 | R242-D298 IonicContact CZ-OD1 3.2Å; R242-D298 IonicContact NH1-OD1 3.55Å; R242-D298 IonicContact NH2-OD1 3.63Å; R242-D298 PolarHBondContact NH2-OD1 3.22Å; R242-D298 IonicContact NH2-OD2 3.04Å; R293-D298 IonicContact CZ-OD1 2.99Å; R293-D298 IonicContact NH1-OD1 3.5Å; R293-D298 PolarHBondContact NH1-OD1 2.98Å; R293-D298 IonicContact NH2-OD1 2.64Å; R293-D298 PolarHBondContact NH2-OD1 3.08Å; D298-G302 WeakPolarHBondContact O-CA 3.2Å; D298-G302 PolarHBondContact O-N 2.77Å |
| 299 | E | 88.5 | Confident | 92.5 | Very high | 155 Ų | 155 | 40.3 Ų | 40.3 | 72% | 0.724 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62 | -46.9 | 171.1 | -108.4 | -178 | 168.8 | 0 | 0 | 112 | R15 S297 T301 | R15-E299 IonicContact NH1-OE2 3.35Å; R15-E299 PolarHBondContact NH1-OE2 3.1Å; R15-E299 VanDerWaalsContact NH1-OE2 3.09Å; S297-E299 PolarHBondContact O-N 3.42Å; S297-E299 WeakPolarHBondContact OG-CB 3.22Å; S297-E299 PolarHBondContact OG-N 3.47Å; E299-T301 VanDerWaalsContact C-N 3.28Å; E299-T301 PolarHBondContact O-N 3.21Å |
| 300 | E | 90 | Very high | 92.6 | Very high | 76 Ų | 76 | 41.3 Ų | 41.3 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.7 | -23.6 | -177.2 | -68 | 176.1 | 95.1 | 0 | 0 | 113.2 | K280 Y296 S297 | K280-E300 WeakPolarHBondContact CE-O 3.49Å; Y296-E300 WeakPolarHBondContact CD1-OE1 3.26Å; S297-E300 PolarHBondContact N-OE2 3.43Å; S297-E300 PolarHBondContact O-N 3.16Å; S297-E300 WeakPolarHBondContact OG-CG 3.19Å; S297-E300 PolarHBondContact OG-N 3.27Å; S297-E300 VanDerWaalsContact OG-N 3.16Å; S297-E300 PolarHBondContact OG-OE2 2.7Å |
| 301 | T | 92.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -123.4 | -0.4 | -167.9 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | T292 R293 Y296 S297 E299 I303 F304 | T292-T301 HydrophobicContact CG2-CG2 3.67Å; R293-T301 WeakPolarHBondContact CD-OG1 3.38Å; R293-T301 PolarHBondContact NH1-OG1 3.38Å; Y296-T301 VanDerWaalsContact CB-CG2 3.43Å; Y296-T301 HydrophobicContact CG-CG2 4.35Å; S297-T301 WeakPolarHBondContact O-CB 3.25Å; S297-T301 PolarHBondContact O-N 3.07Å; S297-T301 VanDerWaalsContact O-N 3.1Å; S297-T301 PolarHBondContact O-OG1 3.31Å; E299-T301 VanDerWaalsContact C-N 3.28Å; E299-T301 PolarHBondContact O-N 3.21Å; T301-I303 PolarHBondContact O-N 3.28Å; T301-I303 VanDerWaalsContact O-N 3.07Å; T301-F304 HydrophobicContact CG2-CD2 4.25Å; T301-F304 HydrophobicContact CG2-CE2 3.98Å; T301-F304 WeakPolarHBondContact O-CD2 3.37Å; T301-F304 PolarHBondContact O-N 3.03Å |
| 302 | G | 91 | Very high | 92.5 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -58 | -26.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D298 F304 C305 S306 | D298-G302 WeakPolarHBondContact O-CA 3.2Å; D298-G302 PolarHBondContact O-N 2.77Å; G302-F304 PolarHBondContact O-N 2.86Å; G302-C305 CarbonylContact O-C 3.46Å; G302-C305 PolarHBondContact O-N 3.09Å; G302-S306 PolarHBondContact O-N 3.14Å |
| 303 | I | 94.3 | Very high | 92.6 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -59.6 | -28.6 | 175.7 | -160.3 | 165.6 | 0 | 0 | 0 | 113.6 | N276 S277 K280 T301 C305 L309 | N276-I303 HydrophobicContact CB-CD1 3.52Å; N276-I303 HydrophobicContact CB-CG1 4.48Å; S277-I303 PolarHBondContact OG-O 2.82Å; K280-I303 HydrophobicContact CB-CG2 4.2Å; K280-I303 HydrophobicContact CG-CG2 4.1Å; T301-I303 PolarHBondContact O-N 3.28Å; T301-I303 VanDerWaalsContact O-N 3.07Å; I303-C305 PolarHBondContact O-N 3.22Å; I303-L309 WeakPolarHBondContact O-CD1 3.15Å |
| 304 | F | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -77.5 | -11.5 | 177.1 | -52.3 | -60.5 | 0 | 0 | 0 | 113.4 | L243 F246 S277 K280 W281 I284 T292 T301 G302 L309 | L243-F304 HydrophobicContact CD2-CB 3.44Å; L243-F304 VanDerWaalsContact CD2-CB 3.44Å; L243-F304 HydrophobicContact CD2-CD2 4.06Å; L243-F304 HydrophobicContact CD2-CG 3.92Å; F246-F304 HydrophobicContact CB-CB 4.43Å; F246-F304 HydrophobicContact CD1-CB 4.45Å; F246-F304 AromaticContact CD1-CD1 3.98Å; F246-F304 HydrophobicContact CD1-CD1 3.98Å; F246-F304 HydrophobicContact CD1-CG 4.46Å; F246-F304 AromaticContact CE1-CD1 3.77Å; F246-F304 HydrophobicContact CE1-CD1 3.77Å; F246-F304 HydrophobicContact CE1-CE1 4.12Å; F246-F304 HydrophobicContact CE2-CD1 4.38Å; F246-F304 HydrophobicContact CG-CB 4.34Å; F246-F304 HydrophobicContact CG-CD1 4.36Å; F246-F304 AromaticContact CZ-CD1 4Å; F246-F304 HydrophobicContact CZ-CD1 4Å; F246-F304 HydrophobicContact CZ-CE1 4.32Å; S277-F304 VanDerWaalsContact O-CE1 3.28Å; S277-F304 WeakPolarHBondContact O-CE1 3.44Å; K280-F304 HydrophobicContact CB-CE1 4.24Å; K280-F304 HydrophobicContact CB-CZ 4.17Å; K280-F304 HydrophobicContact CG-CE1 4.25Å; K280-F304 HydrophobicContact CG-CE2 4.41Å; K280-F304 HydrophobicContact CG-CZ 3.69Å; W281-F304 HydrophobicContact CB-CE1 3.93Å; W281-F304 HydrophobicContact CB-CZ 4.48Å; W281-F304 HydrophobicContact CE3-CE1 4.32Å; W281-F304 HydrophobicContact CE3-CZ 4.39Å; I284-F304 HydrophobicContact CD1-CE2 4.14Å; I284-F304 HydrophobicContact CD1-CZ 3.84Å; T292-F304 HydrophobicContact CG2-CD2 4.2Å; T292-F304 HydrophobicContact CG2-CE2 3.54Å; T292-F304 HydrophobicContact CG2-CZ 4.27Å; T301-F304 HydrophobicContact CG2-CD2 4.25Å; T301-F304 HydrophobicContact CG2-CE2 3.98Å; T301-F304 WeakPolarHBondContact O-CD2 3.37Å; T301-F304 PolarHBondContact O-N 3.03Å; G302-F304 PolarHBondContact O-N 2.86Å; F304-L309 WeakPolarHBondContact O-CD1 3.41Å |
| 305 | C | 91 | Very high | 92.9 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 43% | 0.426 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -122.8 | 17.8 | -177.8 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | G302 I303 | G302-C305 CarbonylContact O-C 3.46Å; G302-C305 PolarHBondContact O-N 3.09Å; I303-C305 PolarHBondContact O-N 3.22Å |
| 306 | S | 91.7 | Very high | 93.1 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | trans | -61.8 | 146.9 | -179.8 | 73 | 0 | 0 | 0 | 0 | 111.1 | G302 A308 L309 | G302-S306 PolarHBondContact O-N 3.14Å; S306-A308 PolarHBondContact O-N 3.11Å; S306-A308 VanDerWaalsContact O-N 3.16Å; S306-L309 WeakPolarHBondContact O-CB 3.48Å; S306-L309 PolarHBondContact O-N 3.48Å | ||
| 307 | Q | 93.1 | Very high | 93.3 | Very high | 172 Ų | 172 | 39.2 Ų | 39.2 | 80% | 0.804 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -59.2 | -29.3 | 179 | -68.4 | -176.3 | -4.3 | 0 | 0 | 112.4 | L309 N310 | Q307-L309 PolarHBondContact O-N 2.71Å; Q307-N310 VanDerWaalsContact O-CB 3.28Å; Q307-N310 WeakPolarHBondContact O-CB 3.43Å; Q307-N310 PolarHBondContact O-N 3.44Å; Q307-N310 PolarHBondContact O-ND2 3.44Å |
| 308 | A | 94.5 | Very high | 93.6 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 21% | 0.207 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -60.8 | -21.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | I269 E270 A273 S306 P312 | I269-A308 HydrophobicContact CG2-CB 4.13Å; E270-A308 WeakPolarHBondContact CB-O 3.33Å; E270-A308 WeakPolarHBondContact CG-O 3.47Å; A273-A308 HydrophobicContact CB-CB 3.54Å; S306-A308 PolarHBondContact O-N 3.11Å; S306-A308 VanDerWaalsContact O-N 3.16Å; A308-P312 WeakPolarHBondContact O-CD 3.49Å |
| 309 | L | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -84.2 | -7.6 | 175.2 | -63 | 177.8 | 0 | 0 | 0 | 113.8 | F246 I249 A273 L274 I303 F304 S306 Q307 R311 P312 A313 | F246-L309 HydrophobicContact CD2-CD1 4.35Å; I249-L309 HydrophobicContact CD1-CB 4.1Å; I249-L309 HydrophobicContact CD1-CD2 4.3Å; A273-L309 HydrophobicContact CB-CD2 4.33Å; L274-L309 HydrophobicContact CB-CD2 3.98Å; L274-L309 HydrophobicContact CD1-CD2 4.21Å; I303-L309 WeakPolarHBondContact O-CD1 3.15Å; F304-L309 WeakPolarHBondContact O-CD1 3.41Å; S306-L309 WeakPolarHBondContact O-CB 3.48Å; S306-L309 PolarHBondContact O-N 3.48Å; Q307-L309 PolarHBondContact O-N 2.71Å; L309-R311 PolarHBondContact O-N 2.9Å; L309-P312 WeakPolarHBondContact O-CD 3.47Å; L309-A313 VanDerWaalsContact O-CB 3.23Å; L309-A313 WeakPolarHBondContact O-CB 3.32Å; L309-A313 PolarHBondContact O-N 3.07Å |
| 310 | N | 94.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 28.9 Ų | 28.9 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.3 | -42.7 | -177.9 | -74 | -20.9 | 0 | 0 | 0 | 112.2 | Q307 A313 Y314 M332 | Q307-N310 VanDerWaalsContact O-CB 3.28Å; Q307-N310 WeakPolarHBondContact O-CB 3.43Å; Q307-N310 PolarHBondContact O-N 3.44Å; Q307-N310 PolarHBondContact O-ND2 3.44Å; N310-A313 PolarHBondContact O-N 3.14Å; N310-Y314 WeakPolarHBondContact O-CB 3.47Å; N310-Y314 PolarHBondContact O-N 2.86Å; N310-M332 HydrophobicContact CB-CE 4.14Å; N310-M332 WeakPolarHBondContact O-CE 3.45Å |
| 311 | R | 94.7 | Very high | 94.4 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 13% | 0.125 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.1 | -45.2 | -179.3 | -168.9 | -171 | -175.8 | -158.9 | -6.1 | 111.9 | G266 W267 E270 L309 A313 Y314 A315 P335 D337 | G266-R311 PolarHBondContact O-NH1 3.39Å; W267-R311 VanDerWaalsContact CE2-CZ 3.41Å; W267-R311 HydrophobicContact CH2-CB 4.47Å; W267-R311 HydrophobicContact CH2-CG 3.74Å; W267-R311 HydrophobicContact CZ2-CG 3.67Å; W267-R311 HydrophobicContact CZ3-CG 4.31Å; E270-R311 HydrophobicContact CG-CB 4.45Å; E270-R311 WeakPolarHBondContact OE1-CD 3.49Å; E270-R311 IonicContact OE1-CZ 3.6Å; E270-R311 IonicContact OE1-NE 3.55Å; E270-R311 IonicContact OE1-NH1 3.76Å; E270-R311 PolarHBondContact OE1-NH1 3.27Å; E270-R311 IonicContact OE2-NH1 2.69Å; L309-R311 PolarHBondContact O-N 2.9Å; R311-A313 PolarHBondContact O-N 2.94Å; R311-Y314 PolarHBondContact O-N 3.44Å; R311-A315 PolarHBondContact O-N 2.87Å; R311-P335 HydrophobicContact CB-CB 4.3Å; R311-P335 HydrophobicContact CG-CB 4.03Å; R311-P335 HydrophobicContact CG-CG 4.07Å; R311-D337 IonicContact CZ-OD1 3.8Å; R311-D337 IonicContact CZ-OD2 2.98Å; R311-D337 IonicContact NE-OD1 2.95Å; R311-D337 PolarHBondContact NE-OD1 2.99Å; R311-D337 IonicContact NE-OD2 3.29Å; R311-D337 PolarHBondContact NE-OD2 3.35Å; R311-D337 IonicContact NH1-OD2 2.67Å; R311-D337 IonicContact NH2-OD1 3.9Å; R311-D337 IonicContact NH2-OD2 3.45Å; R311-D337 PolarHBondContact NH2-OD2 3.26Å |
| 312 | P | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.7 | -43.3 | 166.7 | -26.8 | 32.3 | 0 | 0 | 0 | 114.1 | I249 L253 L262 W267 E270 A308 L309 Y314 A315 A316 | I249-P312 HydrophobicContact CD1-CB 3.8Å; I249-P312 HydrophobicContact CG1-CB 4Å; L253-P312 HydrophobicContact CD1-CB 4.49Å; L253-P312 VanDerWaalsContact CD1-O 3.25Å; L253-P312 WeakPolarHBondContact CD1-O 3.47Å; L262-P312 HydrophobicContact CD2-CB 4.23Å; W267-P312 HydrophobicContact CE3-CG 4.28Å; W267-P312 HydrophobicContact CZ3-CB 4.23Å; W267-P312 HydrophobicContact CZ3-CG 3.86Å; E270-P312 HydrophobicContact CB-CG 3.83Å; E270-P312 HydrophobicContact CG-CG 4.37Å; A308-P312 WeakPolarHBondContact O-CD 3.49Å; L309-P312 WeakPolarHBondContact O-CD 3.47Å; P312-Y314 VanDerWaalsContact C-N 3.32Å; P312-Y314 PolarHBondContact O-N 3.32Å; P312-A315 PolarHBondContact O-N 3.42Å; P312-A316 WeakPolarHBondContact O-CB 3Å; P312-A316 PolarHBondContact O-N 2.76Å |
| 313 | A | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H245 I249 L309 N310 R311 A316 V317 M332 | H245-A313 HydrophobicContact CB-CB 3.68Å; I249-A313 HydrophobicContact CD1-CB 3.98Å; I249-A313 HydrophobicContact CG1-CB 4.08Å; L309-A313 VanDerWaalsContact O-CB 3.23Å; L309-A313 WeakPolarHBondContact O-CB 3.32Å; L309-A313 PolarHBondContact O-N 3.07Å; N310-A313 PolarHBondContact O-N 3.14Å; R311-A313 PolarHBondContact O-N 2.94Å; A313-A316 WeakPolarHBondContact O-CB 3.29Å; A313-A316 PolarHBondContact O-N 3.21Å; A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.24Å; A313-M332 HydrophobicContact CB-CE 3.85Å; A313-M332 HydrophobicContact CB-SD 4.15Å |
| 314 | Y | 96.3 | Very high | 94 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 173.4 | 179.2 | -98.1 | 0 | 0 | 0 | 111.7 | N310 R311 P312 A316 V317 L318 M332 P334 P335 A338 V341 E342 | N310-Y314 WeakPolarHBondContact O-CB 3.47Å; N310-Y314 PolarHBondContact O-N 2.86Å; R311-Y314 PolarHBondContact O-N 3.44Å; P312-Y314 VanDerWaalsContact C-N 3.32Å; P312-Y314 PolarHBondContact O-N 3.32Å; Y314-A316 VanDerWaalsContact C-N 3.3Å; Y314-A316 PolarHBondContact O-N 3.28Å; Y314-V317 WeakPolarHBondContact O-CB 3.39Å; Y314-V317 PolarHBondContact O-N 3.34Å; Y314-V317 VanDerWaalsContact O-N 3.15Å; Y314-L318 HydrophobicContact CD1-CD1 4Å; Y314-L318 HydrophobicContact CD1-CG 4.47Å; Y314-L318 HydrophobicContact CE1-CD1 3.57Å; Y314-L318 HydrophobicContact CE1-CG 4.16Å; Y314-L318 WeakPolarHBondContact O-CG 3.42Å; Y314-L318 PolarHBondContact O-N 2.89Å; Y314-M332 HydrophobicContact CD2-CB 4.48Å; Y314-M332 HydrophobicContact CD2-CG 4.43Å; Y314-P334 HydrophobicContact CE2-CB 4.11Å; Y314-P335 VanDerWaalsContact CD1-CD 3.4Å; Y314-P335 HydrophobicContact CD1-CG 3.74Å; Y314-P335 HydrophobicContact CE1-CG 4.17Å; Y314-P335 VanDerWaalsContact CG-CD 3.41Å; Y314-P335 HydrophobicContact CG-CG 4.09Å; Y314-A338 HydrophobicContact CE1-CB 3.97Å; Y314-V341 HydrophobicContact CD1-CG1 4.42Å; Y314-E342 HydrophobicContact CE1-CG 4.34Å; Y314-E342 PolarHBondContact OH-OE1 3.09Å |
| 315 | A | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L253 V261 W267 R311 P312 V317 L318 V319 V341 V345 | L253-A315 HydrophobicContact CD1-CB 4.23Å; V261-A315 HydrophobicContact CG1-CB 4.01Å; V261-A315 HydrophobicContact CG2-CB 4.05Å; W267-A315 HydrophobicContact CH2-CB 3.98Å; R311-A315 PolarHBondContact O-N 2.87Å; P312-A315 PolarHBondContact O-N 3.42Å; A315-V317 VanDerWaalsContact C-N 3.3Å; A315-V317 PolarHBondContact O-N 3.33Å; A315-L318 WeakPolarHBondContact O-CB 3.46Å; A315-L318 PolarHBondContact O-N 2.91Å; A315-V319 WeakPolarHBondContact O-CG2 3.46Å; A315-V319 PolarHBondContact O-N 3.38Å; A315-V341 HydrophobicContact CB-CG1 3.83Å; A315-V345 HydrophobicContact CB-CG2 4.45Å |
| 316 | A | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L248 I249 L253 P312 A313 Y314 G320 | L248-A316 HydrophobicContact CB-CB 4.05Å; I249-A316 HydrophobicContact CG1-CB 4.28Å; L253-A316 HydrophobicContact CD1-CB 3.85Å; L253-A316 HydrophobicContact CD2-CB 4.41Å; L253-A316 HydrophobicContact CG-CB 3.79Å; P312-A316 WeakPolarHBondContact O-CB 3Å; P312-A316 PolarHBondContact O-N 2.76Å; A313-A316 WeakPolarHBondContact O-CB 3.29Å; A313-A316 PolarHBondContact O-N 3.21Å; Y314-A316 VanDerWaalsContact C-N 3.3Å; Y314-A316 PolarHBondContact O-N 3.28Å; A316-G320 WeakPolarHBondContact O-CA 3.18Å; A316-G320 PolarHBondContact O-N 3.03Å |
| 317 | V | 95.5 | Very high | 93 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 173.3 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L248 A313 Y314 A315 G320 R321 F330 M332 | L248-V317 HydrophobicContact CD1-CG2 3.77Å; A313-V317 WeakPolarHBondContact O-CG2 3.36Å; A313-V317 PolarHBondContact O-N 3.24Å; Y314-V317 WeakPolarHBondContact O-CB 3.39Å; Y314-V317 PolarHBondContact O-N 3.34Å; Y314-V317 VanDerWaalsContact O-N 3.15Å; A315-V317 VanDerWaalsContact C-N 3.3Å; A315-V317 PolarHBondContact O-N 3.33Å; V317-G320 PolarHBondContact O-N 3.21Å; V317-R321 HydrophobicContact CG1-CG 4.32Å; V317-R321 WeakPolarHBondContact O-CB 3.46Å; V317-R321 VanDerWaalsContact O-CG 3.29Å; V317-R321 WeakPolarHBondContact O-CG 3.47Å; V317-R321 PolarHBondContact O-N 3.19Å; V317-F330 HydrophobicContact CG1-CD1 4.08Å; V317-F330 HydrophobicContact CG2-CD1 3.55Å; V317-F330 HydrophobicContact CG2-CE1 3.57Å; V317-M332 HydrophobicContact CG2-SD 4.34Å |
| 318 | L | 94.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -51.7 | 178.3 | -67.1 | 173.5 | 0 | 0 | 0 | 111.6 | Y314 A315 G320 R321 M322 V341 E342 V345 | Y314-L318 HydrophobicContact CD1-CD1 4Å; Y314-L318 HydrophobicContact CD1-CG 4.47Å; Y314-L318 HydrophobicContact CE1-CD1 3.57Å; Y314-L318 HydrophobicContact CE1-CG 4.16Å; Y314-L318 WeakPolarHBondContact O-CG 3.42Å; Y314-L318 PolarHBondContact O-N 2.89Å; A315-L318 WeakPolarHBondContact O-CB 3.46Å; A315-L318 PolarHBondContact O-N 2.91Å; L318-G320 VanDerWaalsContact C-N 3.31Å; L318-G320 PolarHBondContact O-N 2.94Å; L318-R321 PolarHBondContact O-N 3.2Å; L318-M322 PolarHBondContact O-N 3.36Å; L318-V341 HydrophobicContact CD1-CG1 4.31Å; L318-E342 HydrophobicContact CD1-CB 4.31Å; L318-E342 HydrophobicContact CD1-CG 3.57Å; L318-E342 HydrophobicContact CD2-CG 4.04Å; L318-E342 HydrophobicContact CG-CG 4.47Å; L318-V345 HydrophobicContact CB-CG1 3.88Å; L318-V345 HydrophobicContact CD1-CG2 4.5Å |
| 319 | V | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | L253 A315 R321 M322 R323 V345 | L253-V319 HydrophobicContact CD2-CB 4.47Å; L253-V319 HydrophobicContact CD2-CG2 3.96Å; A315-V319 WeakPolarHBondContact O-CG2 3.46Å; A315-V319 PolarHBondContact O-N 3.38Å; V319-R321 VanDerWaalsContact C-N 3.33Å; V319-R321 PolarHBondContact O-N 3.36Å; V319-M322 PolarHBondContact O-N 2.9Å; V319-M322 VanDerWaalsContact O-N 3.16Å; V319-R323 PolarHBondContact O-N 2.69Å; V319-V345 HydrophobicContact CG2-CG1 3.66Å; V319-V345 HydrophobicContact CG2-CG2 4.29Å |
| 320 | G | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -36.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A316 V317 L318 M322 R323 N324 | A316-G320 WeakPolarHBondContact O-CA 3.18Å; A316-G320 PolarHBondContact O-N 3.03Å; V317-G320 PolarHBondContact O-N 3.21Å; L318-G320 VanDerWaalsContact C-N 3.31Å; L318-G320 PolarHBondContact O-N 2.94Å; G320-M322 VanDerWaalsContact C-N 3.33Å; G320-M322 PolarHBondContact O-N 3.35Å; G320-R323 PolarHBondContact O-N 3.16Å; G320-N324 WeakPolarHBondContact O-CA 3.42Å; G320-N324 WeakPolarHBondContact O-CB 3.22Å; G320-N324 PolarHBondContact O-N 3.07Å |
| 321 | R | 93.1 | Very high | 90.7 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.2 | -34.2 | 176.8 | -80.2 | 171.7 | 175.7 | 177.8 | -1.2 | 112.7 | V317 L318 V319 R323 L327 F330 | V317-R321 HydrophobicContact CG1-CG 4.32Å; V317-R321 WeakPolarHBondContact O-CB 3.46Å; V317-R321 VanDerWaalsContact O-CG 3.29Å; V317-R321 WeakPolarHBondContact O-CG 3.47Å; V317-R321 PolarHBondContact O-N 3.19Å; L318-R321 PolarHBondContact O-N 3.2Å; V319-R321 VanDerWaalsContact C-N 3.33Å; V319-R321 PolarHBondContact O-N 3.36Å; R321-R323 VanDerWaalsContact C-N 3.34Å; R321-L327 HydrophobicContact CG-CB 3.99Å; R321-L327 WeakPolarHBondContact CG-O 3.03Å; R321-L327 PolarHBondContact NE-O 3.31Å; R321-F330 PolarHBondContact NH2-O 3.32Å |
| 322 | M | 90 | Very high | 90.4 | Very high | 83 Ų | 83 | 55 Ų | 55 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.4 | -31.2 | 176.4 | -67.5 | -174.5 | -72.1 | 0 | 0 | 112 | L318 V319 G320 V345 L346 E349 | L318-M322 PolarHBondContact O-N 3.36Å; V319-M322 PolarHBondContact O-N 2.9Å; V319-M322 VanDerWaalsContact O-N 3.16Å; G320-M322 VanDerWaalsContact C-N 3.33Å; G320-M322 PolarHBondContact O-N 3.35Å; M322-V345 HydrophobicContact CE-CG1 3.39Å; M322-L346 HydrophobicContact SD-CD2 3.94Å; M322-E349 HydrophobicContact CE-CB 3.57Å; M322-E349 HydrophobicContact CE-CG 3.41Å; M322-E349 VanDerWaalsContact CE-CG 3.41Å; M322-E349 HydrophobicContact SD-CB 3.99Å; M322-E349 HydrophobicContact SD-CG 4.47Å |
| 323 | R | 89.6 | Confident | 90.1 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 53% | 0.525 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -95.1 | -18.7 | -177.9 | -59.3 | -178.9 | -174.3 | -166.2 | 2.8 | 114.1 | Y252 V319 G320 R321 E349 | Y252-R323 HydrophobicContact CE1-CB 4.46Å; V319-R323 PolarHBondContact O-N 2.69Å; G320-R323 PolarHBondContact O-N 3.16Å; R321-R323 VanDerWaalsContact C-N 3.34Å; R323-E349 IonicContact CZ-OE1 3.92Å; R323-E349 IonicContact CZ-OE2 2.52Å; R323-E349 IonicContact NE-OE1 3.89Å; R323-E349 IonicContact NE-OE2 3.81Å; R323-E349 PolarHBondContact NE-OE2 3.02Å; R323-E349 IonicContact NH2-OE1 3.79Å; R323-E349 PolarHBondContact NH2-OE1 3.37Å; R323-E349 IonicContact NH2-OE2 3.87Å; R323-E349 PolarHBondContact NH2-OE2 3.32Å |
| 324 | N | 89.8 | Confident | 89.9 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | trans | -144.4 | 107.3 | -175.5 | -174 | -12.8 | 0 | 0 | 0 | 111.8 | G320 K326 L327 | G320-N324 WeakPolarHBondContact O-CA 3.42Å; G320-N324 WeakPolarHBondContact O-CB 3.22Å; G320-N324 PolarHBondContact O-N 3.07Å; N324-K326 PolarHBondContact O-N 3.31Å; N324-K326 VanDerWaalsContact OD1-CB 3.3Å; N324-K326 WeakPolarHBondContact OD1-CB 3.43Å; N324-K326 PolarHBondContact OD1-N 3.41Å; N324-L327 HydrophobicContact CB-CD1 4.39Å; N324-L327 PolarHBondContact O-N 2.67Å | ||
| 325 | P | 86 | Confident | 89.7 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 66% | 0.656 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -56.4 | -26.1 | 179.8 | -26.9 | 34.5 | 0 | 0 | 0 | 114.2 | L327 T328 | P325-L327 PolarHBondContact O-N 2.92Å; P325-T328 WeakPolarHBondContact O-CB 3.43Å; P325-T328 WeakPolarHBondContact O-CG2 3.39Å; P325-T328 PolarHBondContact O-N 3.46Å; P325-T328 PolarHBondContact O-OG1 3.18Å |
| 326 | K | 83.8 | Confident | 89.4 | Confident | 179 Ų | 179 | 76.5 Ų | 76.5 | 78% | 0.778 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -67.3 | -15.8 | 179.9 | -60.4 | -179.9 | 178.3 | 176.9 | 0 | 113.4 | N324 | N324-K326 PolarHBondContact O-N 3.31Å; N324-K326 VanDerWaalsContact OD1-CB 3.3Å; N324-K326 WeakPolarHBondContact OD1-CB 3.43Å; N324-K326 PolarHBondContact OD1-N 3.41Å |
| 327 | L | 87.1 | Confident | 89.2 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -87 | -3.8 | 178.1 | -73.2 | 176.8 | 0 | 0 | 0 | 114.2 | L248 Y252 R321 N324 P325 M329 F330 | L248-L327 HydrophobicContact CD2-CD1 4.17Å; L248-L327 HydrophobicContact CD2-CD2 4.14Å; Y252-L327 HydrophobicContact CD2-CD1 4.45Å; Y252-L327 HydrophobicContact CE2-CD1 3.47Å; Y252-L327 VanDerWaalsContact CE2-CD1 3.47Å; Y252-L327 VanDerWaalsContact OH-CD1 3.28Å; Y252-L327 WeakPolarHBondContact OH-CD1 3.49Å; R321-L327 HydrophobicContact CG-CB 3.99Å; R321-L327 WeakPolarHBondContact CG-O 3.03Å; R321-L327 PolarHBondContact NE-O 3.31Å; N324-L327 HydrophobicContact CB-CD1 4.39Å; N324-L327 PolarHBondContact O-N 2.67Å; P325-L327 PolarHBondContact O-N 2.92Å; L327-M329 PolarHBondContact O-N 3.46Å; L327-F330 HydrophobicContact CD2-CB 4.18Å; L327-F330 WeakPolarHBondContact O-CB 3.47Å; L327-F330 PolarHBondContact O-N 2.88Å |
| 328 | T | 83.6 | Confident | 89.1 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -36.6 | 173.6 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | P325 F330 | P325-T328 WeakPolarHBondContact O-CB 3.43Å; P325-T328 WeakPolarHBondContact O-CG2 3.39Å; P325-T328 PolarHBondContact O-N 3.46Å; P325-T328 PolarHBondContact O-OG1 3.18Å; T328-F330 VanDerWaalsContact C-N 3.29Å; T328-F330 PolarHBondContact O-N 3.42Å |
| 329 | M | 78.4 | Confident | 89 | Confident | 175 Ų | 175 | 84.5 Ų | 84.5 | 86% | 0.862 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.8 | 177.8 | -64.8 | -78.6 | 179.6 | 0 | 0 | 114.1 | L327 S331 | L327-M329 PolarHBondContact O-N 3.46Å; M329-S331 PolarHBondContact O-N 3.12Å |
| 330 | F | 83.3 | Confident | 88.9 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 25% | 0.25 | 46% | 0.458 | C | S | . | . | trans | -80.1 | 110.7 | 179.9 | -171.9 | -88.2 | 0 | 0 | 0 | 109.4 | L248 V317 R321 L327 T328 M332 | L248-F330 HydrophobicContact CD1-CD1 4.48Å; L248-F330 HydrophobicContact CD1-CE1 4.02Å; L248-F330 HydrophobicContact CD1-CE2 4.33Å; L248-F330 HydrophobicContact CD1-CZ 3.94Å; V317-F330 HydrophobicContact CG1-CD1 4.08Å; V317-F330 HydrophobicContact CG2-CD1 3.55Å; V317-F330 HydrophobicContact CG2-CE1 3.57Å; R321-F330 PolarHBondContact NH2-O 3.32Å; L327-F330 HydrophobicContact CD2-CB 4.18Å; L327-F330 WeakPolarHBondContact O-CB 3.47Å; L327-F330 PolarHBondContact O-N 2.88Å; T328-F330 VanDerWaalsContact C-N 3.29Å; T328-F330 PolarHBondContact O-N 3.42Å; F330-M332 HydrophobicContact CE1-CB 4.18Å | ||
| 331 | S | 83.8 | Confident | 88.9 | Confident | 105 Ų | 105 | 87.4 Ų | 87.4 | 73% | 0.734 | 46% | 0.458 | S | S | * | . | trans | -91 | 139.8 | 176 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | M329 | M329-S331 PolarHBondContact O-N 3.12Š| ||
| 332 | M | 89.2 | Confident | 89 | Confident | 37 Ų | 37 | 86.4 Ų | 86.4 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | trans | -144.4 | 140.3 | 173.6 | -172.3 | 168.6 | -174.4 | 0 | 0 | 108.8 | N310 A313 Y314 V317 F330 | N310-M332 HydrophobicContact CB-CE 4.14Å; N310-M332 WeakPolarHBondContact O-CE 3.45Å; A313-M332 HydrophobicContact CB-CE 3.85Å; A313-M332 HydrophobicContact CB-SD 4.15Å; Y314-M332 HydrophobicContact CD2-CB 4.48Å; Y314-M332 HydrophobicContact CD2-CG 4.43Å; V317-M332 HydrophobicContact CG2-SD 4.34Å; F330-M332 HydrophobicContact CE1-CB 4.18Å | ||
| 333 | A | 89 | Confident | 89.2 | Confident | 81 Ų | 81 | 89.8 Ų | 89.8 | 67% | 0.669 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 131.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 334 | P | 92.5 | Very high | 89.5 | Confident | 89 Ų | 89 | 86 Ų | 86 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 140.1 | 179.1 | 25.4 | -31.5 | 0 | 0 | 0 | 111.3 | Y314 A338 | Y314-P334 HydrophobicContact CE2-CB 4.11Å; P334-A338 HydrophobicContact CB-CB 3.61Å |
| 335 | P | 92.6 | Very high | 89.7 | Confident | 31 Ų | 31 | 84.1 Ų | 84.1 | 20% | 0.201 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 168.2 | 169.2 | 30.9 | -35.2 | 0 | 0 | 0 | 111 | R311 Y314 D337 A338 | R311-P335 HydrophobicContact CB-CB 4.3Å; R311-P335 HydrophobicContact CG-CB 4.03Å; R311-P335 HydrophobicContact CG-CG 4.07Å; Y314-P335 VanDerWaalsContact CD1-CD 3.4Å; Y314-P335 HydrophobicContact CD1-CG 3.74Å; Y314-P335 HydrophobicContact CE1-CG 4.17Å; Y314-P335 VanDerWaalsContact CG-CD 3.41Å; Y314-P335 HydrophobicContact CG-CG 4.09Å; P335-D337 PolarHBondContact O-N 3.43Å; P335-A338 HydrophobicContact CG-CB 4.29Å; P335-A338 WeakPolarHBondContact O-CB 3.3Å; P335-A338 PolarHBondContact O-N 3.19Å |
| 336 | R | 90.3 | Very high | 90 | Very high | 265 Ų | 265 | 83.2 Ų | 83.2 | 100% | 1 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.4 | -177.3 | -70.6 | -176 | 179.1 | -179.8 | -0.3 | 114.1 | ||
| 337 | D | 92 | Very high | 90.5 | Very high | 50 Ų | 50 | 77.3 Ų | 77.3 | 27% | 0.267 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 27.4 | -178 | 53.7 | 16.4 | 0 | 0 | 0 | 113.3 | R311 P335 L339 A340 V341 | R311-D337 IonicContact CZ-OD1 3.8Å; R311-D337 IonicContact CZ-OD2 2.98Å; R311-D337 IonicContact NE-OD1 2.95Å; R311-D337 PolarHBondContact NE-OD1 2.99Å; R311-D337 IonicContact NE-OD2 3.29Å; R311-D337 PolarHBondContact NE-OD2 3.35Å; R311-D337 IonicContact NH1-OD2 2.67Å; R311-D337 IonicContact NH2-OD1 3.9Å; R311-D337 IonicContact NH2-OD2 3.45Å; R311-D337 PolarHBondContact NH2-OD2 3.26Å; P335-D337 PolarHBondContact O-N 3.43Å; D337-L339 PolarHBondContact O-N 3.43Å; D337-A340 HydrophobicContact CB-CB 4.49Å; D337-A340 WeakPolarHBondContact O-CB 3.39Å; D337-A340 PolarHBondContact O-N 2.63Å; D337-V341 PolarHBondContact O-N 3.46Å |
| 338 | A | 93.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 77.3 Ų | 77.3 | 11% | 0.107 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -43.1 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y314 P334 P335 A340 V341 E342 | Y314-A338 HydrophobicContact CE1-CB 3.97Å; P334-A338 HydrophobicContact CB-CB 3.61Å; P335-A338 HydrophobicContact CG-CB 4.29Å; P335-A338 WeakPolarHBondContact O-CB 3.3Å; P335-A338 PolarHBondContact O-N 3.19Å; A338-A340 VanDerWaalsContact C-N 3.33Å; A338-A340 PolarHBondContact O-N 2.98Å; A338-V341 PolarHBondContact O-N 3.03Å; A338-E342 WeakPolarHBondContact O-CB 3.4Å; A338-E342 VanDerWaalsContact O-CG 3.3Å; A338-E342 WeakPolarHBondContact O-CG 3.4Å; A338-E342 PolarHBondContact O-N 3.47Å |
| 339 | L | 93.1 | Very high | 90.9 | Very high | 127 Ų | 127 | 73.5 Ų | 73.5 | 67% | 0.665 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.3 | -39.8 | 178.7 | -72.6 | 172.4 | 0 | 0 | 0 | 113.7 | D337 K343 | D337-L339 PolarHBondContact O-N 3.43Å; L339-K343 WeakPolarHBondContact O-CB 3.33Å; L339-K343 VanDerWaalsContact O-CG 3.29Å; L339-K343 WeakPolarHBondContact O-CG 3.37Å; L339-K343 PolarHBondContact O-N 2.96Å; L339-K343 VanDerWaalsContact O-N 3.07Å |
| 340 | A | 92.5 | Very high | 91.3 | Very high | 61 Ų | 61 | 71.9 Ų | 71.9 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D337 A338 F344 | D337-A340 HydrophobicContact CB-CB 4.49Å; D337-A340 WeakPolarHBondContact O-CB 3.39Å; D337-A340 PolarHBondContact O-N 2.63Å; A338-A340 VanDerWaalsContact C-N 3.33Å; A338-A340 PolarHBondContact O-N 2.98Å; A340-F344 WeakPolarHBondContact O-CB 3.43Å; A340-F344 PolarHBondContact O-N 2.9Å; A340-F344 VanDerWaalsContact O-N 3.09Å |
| 341 | V | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 177 | -174.8 | 0 | 0 | 0 | 0 | 111 | V261 W267 Y314 A315 L318 D337 A338 F344 V345 | V261-V341 HydrophobicContact CG2-CG1 4.1Å; W267-V341 HydrophobicContact CH2-CG1 4.3Å; W267-V341 HydrophobicContact CZ2-CG1 4.05Å; W267-V341 HydrophobicContact CZ2-CG2 3.68Å; Y314-V341 HydrophobicContact CD1-CG1 4.42Å; A315-V341 HydrophobicContact CB-CG1 3.83Å; L318-V341 HydrophobicContact CD1-CG1 4.31Å; D337-V341 PolarHBondContact O-N 3.46Å; A338-V341 PolarHBondContact O-N 3.03Å; V341-F344 PolarHBondContact O-N 3.2Å; V341-V345 HydrophobicContact CG1-CG2 4.32Å; V341-V345 WeakPolarHBondContact O-CB 3.39Å; V341-V345 WeakPolarHBondContact O-CG2 3.41Å; V341-V345 PolarHBondContact O-N 3.31Å |
| 342 | E | 95.1 | Very high | 91 | Very high | 67 Ų | 67 | 72.3 Ų | 72.3 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 177.5 | -76.5 | 179.4 | 169.3 | 0 | 0 | 111.7 | Y314 L318 A338 F344 V345 L346 | Y314-E342 HydrophobicContact CE1-CG 4.34Å; Y314-E342 PolarHBondContact OH-OE1 3.09Å; L318-E342 HydrophobicContact CD1-CB 4.31Å; L318-E342 HydrophobicContact CD1-CG 3.57Å; L318-E342 HydrophobicContact CD2-CG 4.04Å; L318-E342 HydrophobicContact CG-CG 4.47Å; A338-E342 WeakPolarHBondContact O-CB 3.4Å; A338-E342 VanDerWaalsContact O-CG 3.3Å; A338-E342 WeakPolarHBondContact O-CG 3.4Å; A338-E342 PolarHBondContact O-N 3.47Å; E342-F344 VanDerWaalsContact C-N 3.28Å; E342-F344 PolarHBondContact O-N 3.27Å; E342-V345 PolarHBondContact O-N 3.31Å; E342-L346 WeakPolarHBondContact O-CB 3.35Å; E342-L346 VanDerWaalsContact O-CG 3.25Å; E342-L346 WeakPolarHBondContact O-CG 3.4Å; E342-L346 PolarHBondContact O-N 3.48Å |
| 343 | K | 94.3 | Very high | 90.1 | Very high | 154 Ų | 154 | 75.2 Ų | 75.2 | 67% | 0.67 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58 | -42 | 177.6 | -78.4 | 178.9 | 180 | -178.6 | 0 | 111.9 | L339 S347 | L339-K343 WeakPolarHBondContact O-CB 3.33Å; L339-K343 VanDerWaalsContact O-CG 3.29Å; L339-K343 WeakPolarHBondContact O-CG 3.37Å; L339-K343 PolarHBondContact O-N 2.96Å; L339-K343 VanDerWaalsContact O-N 3.07Å; K343-S347 PolarHBondContact O-N 2.87Å |
| 344 | F | 94.8 | Very high | 89 | Confident | 60 Ų | 60 | 75 Ų | 75 | 26% | 0.263 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.4 | -46 | 179.5 | -171.6 | -86.6 | 0 | 0 | 0 | 112.3 | P260 V261 L264 A340 V341 E342 L346 S347 V348 | P260-F344 HydrophobicContact CB-CE1 4.05Å; P260-F344 HydrophobicContact CB-CZ 4.11Å; V261-F344 HydrophobicContact CB-CD1 4.03Å; V261-F344 HydrophobicContact CB-CE1 4.14Å; V261-F344 HydrophobicContact CG2-CD1 4.04Å; L264-F344 HydrophobicContact CD1-CB 4.27Å; L264-F344 HydrophobicContact CD1-CD1 4.31Å; L264-F344 HydrophobicContact CD1-CG 4.17Å; L264-F344 HydrophobicContact CD2-CB 4.39Å; L264-F344 HydrophobicContact CD2-CD1 4.33Å; L264-F344 HydrophobicContact CD2-CD2 3.52Å; L264-F344 HydrophobicContact CD2-CE2 3.76Å; L264-F344 HydrophobicContact CD2-CG 3.81Å; L264-F344 HydrophobicContact CD2-CZ 4.27Å; L264-F344 HydrophobicContact CG-CD1 4.31Å; L264-F344 HydrophobicContact CG-CD2 4.36Å; L264-F344 HydrophobicContact CG-CG 4.22Å; A340-F344 WeakPolarHBondContact O-CB 3.43Å; A340-F344 PolarHBondContact O-N 2.9Å; A340-F344 VanDerWaalsContact O-N 3.09Å; V341-F344 PolarHBondContact O-N 3.2Å; E342-F344 VanDerWaalsContact C-N 3.28Å; E342-F344 PolarHBondContact O-N 3.27Å; F344-L346 VanDerWaalsContact C-N 3.31Å; F344-L346 PolarHBondContact O-N 3.06Å; F344-S347 PolarHBondContact O-N 3.22Å; F344-S347 PolarHBondContact O-OG 3.4Å; F344-V348 HydrophobicContact CD1-CG2 3.95Å; F344-V348 HydrophobicContact CE1-CG2 3.51Å; F344-V348 HydrophobicContact CZ-CG2 3.93Å; F344-V348 WeakPolarHBondContact O-CG2 3.24Å; F344-V348 PolarHBondContact O-N 3.18Å |
| 345 | V | 94.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.3 | 166 | 0 | 0 | 0 | 0 | 110.5 | V261 A315 L318 V319 M322 V341 E342 S347 V348 E349 | V261-V345 HydrophobicContact CB-CG2 4.3Å; V261-V345 HydrophobicContact CG2-CG2 3.87Å; A315-V345 HydrophobicContact CB-CG2 4.45Å; L318-V345 HydrophobicContact CB-CG1 3.88Å; L318-V345 HydrophobicContact CD1-CG2 4.5Å; V319-V345 HydrophobicContact CG2-CG1 3.66Å; V319-V345 HydrophobicContact CG2-CG2 4.29Å; M322-V345 HydrophobicContact CE-CG1 3.39Å; V341-V345 HydrophobicContact CG1-CG2 4.32Å; V341-V345 WeakPolarHBondContact O-CB 3.39Å; V341-V345 WeakPolarHBondContact O-CG2 3.41Å; V341-V345 PolarHBondContact O-N 3.31Å; E342-V345 PolarHBondContact O-N 3.31Å; V345-S347 PolarHBondContact O-N 2.93Å; V345-V348 PolarHBondContact O-N 3.42Å; V345-E349 HydrophobicContact CG1-CG 4.37Å; V345-E349 WeakPolarHBondContact O-CB 3.47Å; V345-E349 VanDerWaalsContact O-CG 3.28Å; V345-E349 WeakPolarHBondContact O-CG 3.48Å; V345-E349 PolarHBondContact O-N 3.1Å |
| 346 | L | 92.9 | Very high | 86.6 | Confident | 82 Ų | 82 | 80.3 Ų | 80.3 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.5 | -73.6 | 169.2 | 0 | 0 | 0 | 112.9 | M322 E342 F344 K350 | M322-L346 HydrophobicContact SD-CD2 3.94Å; E342-L346 WeakPolarHBondContact O-CB 3.35Å; E342-L346 VanDerWaalsContact O-CG 3.25Å; E342-L346 WeakPolarHBondContact O-CG 3.4Å; E342-L346 PolarHBondContact O-N 3.48Å; F344-L346 VanDerWaalsContact C-N 3.31Å; F344-L346 PolarHBondContact O-N 3.06Å; L346-K350 VanDerWaalsContact O-CB 3.29Å; L346-K350 WeakPolarHBondContact O-CB 3.49Å; L346-K350 VanDerWaalsContact O-CG 3.23Å; L346-K350 WeakPolarHBondContact O-CG 3.3Å; L346-K350 PolarHBondContact O-N 3.36Å; L346-K350 VanDerWaalsContact O-N 3.12Å |
| 347 | S | 93.1 | Very high | 85.2 | Confident | 54 Ų | 54 | 75 Ų | 75 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70 | -42.3 | 179.6 | 70.3 | 0 | 0 | 0 | 0 | 111.8 | K343 F344 V345 N351 | K343-S347 PolarHBondContact O-N 2.87Å; F344-S347 PolarHBondContact O-N 3.22Å; F344-S347 PolarHBondContact O-OG 3.4Å; V345-S347 PolarHBondContact O-N 2.93Å; S347-N351 WeakPolarHBondContact O-CB 3.38Å; S347-N351 PolarHBondContact O-N 2.95Å; S347-N351 PolarHBondContact O-ND2 2.91Å; S347-N351 VanDerWaalsContact O-ND2 3.15Å |
| 348 | V | 91.5 | Very high | 83.6 | Confident | 23 Ų | 23 | 81.6 Ų | 81.6 | 14% | 0.139 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.9 | -51.1 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | P260 F344 V345 K350 N351 E352 | P260-V348 HydrophobicContact CG-CG1 4.26Å; F344-V348 HydrophobicContact CD1-CG2 3.95Å; F344-V348 HydrophobicContact CE1-CG2 3.51Å; F344-V348 HydrophobicContact CZ-CG2 3.93Å; F344-V348 WeakPolarHBondContact O-CG2 3.24Å; F344-V348 PolarHBondContact O-N 3.18Å; V345-V348 PolarHBondContact O-N 3.42Å; V348-K350 PolarHBondContact O-N 3.28Å; V348-N351 PolarHBondContact O-N 2.86Å; V348-N351 VanDerWaalsContact O-N 3.1Å; V348-E352 HydrophobicContact CG1-CG 4.45Å; V348-E352 PolarHBondContact O-N 3.29Å |
| 349 | E | 88.9 | Confident | 82.1 | Confident | 10 Ų | 10 | 89.7 Ų | 89.7 | 5% | 0.047 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -72 | -31.2 | -172.2 | -66 | -81.8 | 134.3 | 0 | 0 | 112 | H259 M322 R323 V345 L353 | H259-E349 IonicContact CD2-OE1 2.84Å; H259-E349 PolarHBondContact CD2-OE1 3.4Å; H259-E349 IonicContact NE2-OE1 3.09Å; H259-E349 PolarHBondContact NE2-OE1 3.2Å; M322-E349 HydrophobicContact CE-CB 3.57Å; M322-E349 HydrophobicContact CE-CG 3.41Å; M322-E349 VanDerWaalsContact CE-CG 3.41Å; M322-E349 HydrophobicContact SD-CB 3.99Å; M322-E349 HydrophobicContact SD-CG 4.47Å; R323-E349 IonicContact CZ-OE1 3.92Å; R323-E349 IonicContact CZ-OE2 2.52Å; R323-E349 IonicContact NE-OE1 3.89Å; R323-E349 IonicContact NE-OE2 3.81Å; R323-E349 PolarHBondContact NE-OE2 3.02Å; R323-E349 IonicContact NH2-OE1 3.79Å; R323-E349 PolarHBondContact NH2-OE1 3.37Å; R323-E349 IonicContact NH2-OE2 3.87Å; R323-E349 PolarHBondContact NH2-OE2 3.32Å; V345-E349 HydrophobicContact CG1-CG 4.37Å; V345-E349 WeakPolarHBondContact O-CB 3.47Å; V345-E349 VanDerWaalsContact O-CG 3.28Å; V345-E349 WeakPolarHBondContact O-CG 3.48Å; V345-E349 PolarHBondContact O-N 3.1Å; E349-L353 WeakPolarHBondContact O-CB 3.22Å; E349-L353 WeakPolarHBondContact O-CD1 3.36Å; E349-L353 WeakPolarHBondContact O-CG 3.33Å; E349-L353 PolarHBondContact O-N 2.93Å; E349-L353 VanDerWaalsContact O-N 3.07Å |
| 350 | K | 85.5 | Confident | 80.2 | Confident | 141 Ų | 141 | 91.8 Ų | 91.8 | 61% | 0.613 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 169.1 | -78.4 | -179.5 | 179.8 | -175.9 | 0 | 112.1 | L346 V348 V354 | L346-K350 VanDerWaalsContact O-CB 3.29Å; L346-K350 WeakPolarHBondContact O-CB 3.49Å; L346-K350 VanDerWaalsContact O-CG 3.23Å; L346-K350 WeakPolarHBondContact O-CG 3.3Å; L346-K350 PolarHBondContact O-N 3.36Å; L346-K350 VanDerWaalsContact O-N 3.12Å; V348-K350 PolarHBondContact O-N 3.28Å; K350-V354 VanDerWaalsContact O-CG2 3.29Å; K350-V354 WeakPolarHBondContact O-CG2 3.35Å; K350-V354 PolarHBondContact O-N 3.14Å |
| 351 | N | 83.6 | Confident | 77.9 | Confident | 101 Ų | 101 | 96.7 Ų | 96.7 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.1 | -38.1 | -179.9 | -72.4 | -22 | 0 | 0 | 0 | 112 | S347 V348 V354 K355 | S347-N351 WeakPolarHBondContact O-CB 3.38Å; S347-N351 PolarHBondContact O-N 2.95Å; S347-N351 PolarHBondContact O-ND2 2.91Å; S347-N351 VanDerWaalsContact O-ND2 3.15Å; V348-N351 PolarHBondContact O-N 2.86Å; V348-N351 VanDerWaalsContact O-N 3.1Å; N351-V354 PolarHBondContact O-N 3.44Å; N351-K355 WeakPolarHBondContact O-CG 3.5Å; N351-K355 PolarHBondContact O-N 3.2Å; N351-K355 VanDerWaalsContact O-N 3.1Å |
| 352 | E | 77.9 | Confident | 77.1 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 32% | 0.322 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 175.3 | -73 | -65.1 | 122.5 | 0 | 0 | 111.8 | V348 V354 K355 E356 | V348-E352 HydrophobicContact CG1-CG 4.45Å; V348-E352 PolarHBondContact O-N 3.29Å; E352-V354 PolarHBondContact O-N 2.97Å; E352-K355 WeakPolarHBondContact O-CB 3.39Å; E352-K355 PolarHBondContact O-N 3.03Å; E352-K355 IonicContact OE1-NZ 2.83Å; E352-K355 PolarHBondContact OE1-NZ 3.02Å; E352-E356 PolarHBondContact O-N 3.16Å |
| 353 | L | 69.7 | Low | 76.1 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -34.4 | 175.3 | -76.7 | 165.5 | 0 | 0 | 0 | 113 | E349 K357 | E349-L353 WeakPolarHBondContact O-CB 3.22Å; E349-L353 WeakPolarHBondContact O-CD1 3.36Å; E349-L353 WeakPolarHBondContact O-CG 3.33Å; E349-L353 PolarHBondContact O-N 2.93Å; E349-L353 VanDerWaalsContact O-N 3.07Å; L353-K357 PolarHBondContact O-N 3.1Å |
| 354 | V | 67.6 | Low | 75.1 | Confident | 76 Ų | 76 | 100.5 Ų | 100.5 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.2 | -36.4 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | K350 N351 E352 R358 | K350-V354 VanDerWaalsContact O-CG2 3.29Å; K350-V354 WeakPolarHBondContact O-CG2 3.35Å; K350-V354 PolarHBondContact O-N 3.14Å; N351-V354 PolarHBondContact O-N 3.44Å; E352-V354 PolarHBondContact O-N 2.97Å; V354-R358 WeakPolarHBondContact O-CG 3.35Å; V354-R358 PolarHBondContact O-N 2.89Å |
| 355 | K | 68.7 | Low | 74 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 175.8 | -72.2 | 177.2 | -170.3 | 164.6 | 0 | 112.1 | N351 E352 R358 K359 | N351-K355 WeakPolarHBondContact O-CG 3.5Å; N351-K355 PolarHBondContact O-N 3.2Å; N351-K355 VanDerWaalsContact O-N 3.1Å; E352-K355 WeakPolarHBondContact O-CB 3.39Å; E352-K355 PolarHBondContact O-N 3.03Å; E352-K355 IonicContact OE1-NZ 2.83Å; E352-K355 PolarHBondContact OE1-NZ 3.02Å; K355-R358 PolarHBondContact O-N 3.45Å; K355-K359 PolarHBondContact O-N 3.35Å |
| 356 | E | 66.1 | Low | 72.7 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 177.6 | -75 | -176.5 | 157.7 | 0 | 0 | 111.1 | E352 R358 K359 E360 | E352-E356 PolarHBondContact O-N 3.16Å; E356-R358 PolarHBondContact O-N 2.96Å; E356-K359 PolarHBondContact O-N 3.41Å; E356-E360 PolarHBondContact O-N 3.05Å |
| 357 | K | 60.4 | Low | 71.4 | Confident | 153 Ų | 153 | 111 Ų | 111 | 67% | 0.665 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.7 | -29.9 | 176 | -77.4 | -174 | 175.2 | -173.9 | 0 | 114.3 | L353 | L353-K357 PolarHBondContact O-N 3.1Å |
| 358 | R | 58.6 | Low | 69.8 | Low | 189 Ų | 189 | 115.1 Ų | 115.1 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -79.6 | -17.4 | 176.3 | -76.5 | -179.3 | 178.7 | -175 | -0 | 113.8 | V354 K355 E356 T361 | V354-R358 WeakPolarHBondContact O-CG 3.35Å; V354-R358 PolarHBondContact O-N 2.89Å; K355-R358 PolarHBondContact O-N 3.45Å; E356-R358 PolarHBondContact O-N 2.96Å; R358-T361 PolarHBondContact O-OG1 3.46Å |
| 359 | K | 60.8 | Low | 68.1 | Low | 183 Ų | 183 | 122.2 Ų | 122.2 | 80% | 0.796 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -85.7 | -20.5 | 174.5 | -74.4 | -178.7 | 176.7 | 179 | 0 | 112.6 | K355 E356 | K355-K359 PolarHBondContact O-N 3.35Å; E356-K359 PolarHBondContact O-N 3.41Å |
| 360 | E | 53 | Low | 66.4 | Low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | trans | -88.8 | -12.5 | 177.7 | -67.9 | -177.9 | 161 | 0 | 0 | 113.6 | E356 | E356-E360 PolarHBondContact O-N 3.05Š| ||
| 361 | T | 45.3 | Very low | 64.7 | Low | 164 Ų | 164 | 130.6 Ų | 130.6 | 100% | 1.006 | 62% | 0.624 | S | S | * | * | trans | -95 | 0 | 169.2 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | R358 | R358-T361 PolarHBondContact O-OG1 3.46Š|
Retrieved 361 of 361 residues in 387.5 ms
(Link to these results)