| 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 | 36.2 | Very low | 31.2 | Very low | 229 Ų | 229 | 182.9 Ų | 182.9 | 100% | 1.128 | 85% | 0.846 | S | S | * | * | 0 | -48.7 | 0 | -96.7 | 175.1 | 172.2 | 0 | 0 | 114.6 | K3 R4 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.91Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-R4 PolarHBondContact O-N 3.28Å; M1-R4 VanDerWaalsContact O-N 3.11Å | |||
| 2 | F | 33.6 | Very low | 30.7 | Very low | 202 Ų | 202 | 179.9 Ų | 179.9 | 89% | 0.886 | 83% | 0.832 | S | S | * | * | G | 310 helix | trans | -50.9 | -38.1 | -171 | -123.9 | -107.4 | 0 | 0 | 0 | 116.3 | R4 | F2-R4 VanDerWaalsContact C-N 3.32Å; F2-R4 PolarHBondContact O-N 3.25Å |
| 3 | K | 34.3 | Very low | 30.3 | Very low | 203 Ų | 203 | 180.3 Ų | 180.3 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | G | 310 helix | trans | -69.6 | -13.3 | 180 | -78.9 | -175.6 | 173.7 | 179.7 | 0 | 115.9 | M1 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 2.91Å; M1-K3 VanDerWaalsContact O-N 3.12Å |
| 4 | R | 31.8 | Very low | 30.1 | Very low | 222 Ų | 222 | 180.3 Ų | 180.3 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | G | 310 helix | trans | -85.2 | -21.2 | -177.6 | -92.5 | -174 | 177.3 | 173.9 | -0.4 | 115.1 | M1 F2 | M1-R4 PolarHBondContact O-N 3.28Å; M1-R4 VanDerWaalsContact O-N 3.11Å; F2-R4 VanDerWaalsContact C-N 3.32Å; F2-R4 PolarHBondContact O-N 3.25Å |
| 5 | K | 34.3 | Very low | 29.9 | Very low | 191 Ų | 191 | 179.9 Ų | 179.9 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | G | 310 helix | trans | -75.9 | -19.9 | 179.7 | -86.6 | -171.3 | 172.7 | -176.4 | 0 | 114.6 | K7 | K5-K7 VanDerWaalsContact C-N 3.31Å; K5-K7 PolarHBondContact O-N 3.23Å |
| 6 | L | 33 | Very low | 30.4 | Very low | 158 Ų | 158 | 175.7 Ų | 175.7 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | G | 310 helix | trans | -74.1 | -13.5 | 180 | -91.3 | 149.1 | 0 | 0 | 0 | 114.9 | ||
| 7 | K | 30.4 | Very low | 31.3 | Very low | 192 Ų | 192 | 171.5 Ų | 171.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -96.5 | -6.1 | 177.1 | -87.5 | -170.3 | 172.1 | -173.5 | 0 | 114.9 | K5 | K5-K7 VanDerWaalsContact C-N 3.31Å; K5-K7 PolarHBondContact O-N 3.23Å |
| 8 | F | 27.5 | Very low | 32.1 | Very low | 182 Ų | 182 | 167.8 Ų | 167.8 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -103.9 | 15.5 | -168.1 | -122.3 | -81.9 | 0 | 0 | 0 | 115.6 | ||
| 9 | N | 28.4 | Very low | 33.2 | Very low | 119 Ų | 119 | 161.4 Ų | 161.4 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -130.9 | 28.7 | -178.5 | -142.8 | 18.1 | 0 | 0 | 0 | 113.9 | ||||
| 10 | K | 28.5 | Very low | 34.3 | Very low | 209 Ų | 209 | 159.2 Ų | 159.2 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -95.3 | 3.5 | 174 | -94.7 | -167.6 | 173.3 | -169.7 | 0 | 114.1 | ||
| 11 | S | 25.3 | Very low | 35.6 | Very low | 105 Ų | 105 | 155 Ų | 155 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -128.5 | -0 | -172.8 | 55 | 0 | 0 | 0 | 0 | 115.5 | ||
| 12 | H | 25.6 | Very low | 36.9 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -77.7 | 122.1 | 157.3 | -86.9 | -65.1 | 0 | 0 | 0 | 108 | F14 | H12-F14 PolarHBondContact O-N 2.67Š|
| 13 | H | 24.5 | Very low | 38.1 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -56.8 | 92.1 | 158.6 | -91.8 | -79.1 | 0 | 0 | 0 | 108.2 | Q15 | H13-Q15 PolarHBondContact O-N 3.44Š| ||
| 14 | F | 28.2 | Very low | 39.3 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 79% | 0.789 | 63% | 0.633 | S | S | * | * | trans | -65.9 | 93.4 | 150.5 | -125.8 | -90.5 | 0 | 0 | 0 | 104.6 | H12 T16 | H12-F14 PolarHBondContact O-N 2.67Å; F14-T16 HydrophobicContact CD1-CG2 4.39Å; F14-T16 PolarHBondContact O-N 3.18Å | ||
| 15 | Q | 26.5 | Very low | 41.1 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | trans | -58.4 | 92.1 | 150.8 | -84.3 | -178.6 | -31.9 | 0 | 0 | 105.2 | H13 K17 | H13-Q15 PolarHBondContact O-N 3.44Å; Q15-K17 PolarHBondContact O-N 2.97Å | ||
| 16 | T | 38.8 | Very low | 42.7 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | trans | -60.3 | 96.8 | 161 | 45 | 0 | 0 | 0 | 0 | 105 | F14 N18 | F14-T16 HydrophobicContact CD1-CG2 4.39Å; F14-T16 PolarHBondContact O-N 3.18Å; T16-N18 PolarHBondContact O-N 3.5Å | ||
| 17 | K | 44.4 | Very low | 44.5 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 45% | 0.452 | 57% | 0.566 | S | S | . | * | trans | -40.5 | 136.1 | 169.2 | -87.8 | -177.8 | 167.9 | 178.2 | 0 | 107.9 | Q15 D21 I22 E25 | Q15-K17 PolarHBondContact O-N 2.97Å; K17-D21 HydrophobicContact CB-CB 4.14Å; K17-D21 HydrophobicContact CG-CB 4.43Å; K17-I22 HydrophobicContact CB-CD1 4.16Å; K17-I22 HydrophobicContact CB-CG1 3.76Å; K17-I22 HydrophobicContact CD-CG1 4.47Å; K17-E25 VanDerWaalsContact NZ-CD 3.28Å; K17-E25 IonicContact NZ-OE1 3.2Å; K17-E25 PolarHBondContact NZ-OE1 2.86Å; K17-E25 IonicContact NZ-OE2 3.75Å; K17-E25 PolarHBondContact NZ-OE2 2.86Å | ||
| 18 | N | 45.8 | Very low | 46.3 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | trans | -55.4 | 144.7 | 178.7 | -77.9 | -34.4 | 0 | 0 | 0 | 108.4 | T16 I20 D21 I22 | T16-N18 PolarHBondContact O-N 3.5Å; N18-I20 PolarHBondContact O-N 2.88Å; N18-D21 WeakPolarHBondContact CB-OD2 3.31Å; N18-D21 PolarHBondContact N-OD2 2.91Å; N18-D21 VanDerWaalsContact N-OD2 3.17Å; N18-D21 WeakPolarHBondContact O-CA 3.38Å; N18-D21 WeakPolarHBondContact O-CB 3.24Å; N18-D21 PolarHBondContact O-N 3.13Å; N18-I22 PolarHBondContact O-N 2.56Å; N18-I22 VanDerWaalsContact O-N 3.13Å | ||
| 19 | P | 53.7 | Low | 48.7 | Very low | 47 Ų | 47 | 105.6 Ų | 105.6 | 31% | 0.305 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -54.3 | -31.7 | 179.2 | 19.6 | -30.9 | 0 | 0 | 0 | 111.7 | I22 L23 P218 | P19-I22 PolarHBondContact O-N 2.89Å; P19-L23 WeakPolarHBondContact O-CG 3.37Å; P19-L23 PolarHBondContact O-N 3.23Å; P19-P218 HydrophobicContact CB-CB 3.66Å; P19-P218 HydrophobicContact CB-CG 4.08Å |
| 20 | I | 55.2 | Low | 51 | Low | 117 Ų | 117 | 101.6 Ų | 101.6 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 171.4 | -54.2 | 172.3 | 0 | 0 | 0 | 112.5 | N18 I22 L23 S24 | N18-I20 PolarHBondContact O-N 2.88Å; I20-I22 VanDerWaalsContact C-N 3.32Å; I20-I22 PolarHBondContact O-N 2.97Å; I20-L23 PolarHBondContact O-N 3.04Å; I20-S24 WeakPolarHBondContact O-CB 3.27Å; I20-S24 PolarHBondContact O-N 2.86Å; I20-S24 PolarHBondContact O-OG 3.29Å |
| 21 | D | 62.4 | Low | 53.3 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 175.4 | -65.1 | -39.8 | 0 | 0 | 0 | 111.2 | K17 N18 S24 E25 | K17-D21 HydrophobicContact CB-CB 4.14Å; K17-D21 HydrophobicContact CG-CB 4.43Å; N18-D21 WeakPolarHBondContact CB-OD2 3.31Å; N18-D21 PolarHBondContact N-OD2 2.91Å; N18-D21 VanDerWaalsContact N-OD2 3.17Å; N18-D21 WeakPolarHBondContact O-CA 3.38Å; N18-D21 WeakPolarHBondContact O-CB 3.24Å; N18-D21 PolarHBondContact O-N 3.13Å; D21-S24 PolarHBondContact O-OG 3.01Å; D21-E25 VanDerWaalsContact O-CB 3.27Å; D21-E25 WeakPolarHBondContact O-CB 3.39Å; D21-E25 PolarHBondContact O-N 3.33Å |
| 22 | I | 61.9 | Low | 56.2 | Low | 35 Ų | 35 | 94.8 Ų | 94.8 | 18% | 0.179 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.7 | -44.3 | 179.3 | -61.1 | 173.1 | 0 | 0 | 0 | 110.6 | K17 N18 P19 I20 E25 R26 P215 P216 | K17-I22 HydrophobicContact CB-CD1 4.16Å; K17-I22 HydrophobicContact CB-CG1 3.76Å; K17-I22 HydrophobicContact CD-CG1 4.47Å; N18-I22 PolarHBondContact O-N 2.56Å; N18-I22 VanDerWaalsContact O-N 3.13Å; P19-I22 PolarHBondContact O-N 2.89Å; I20-I22 VanDerWaalsContact C-N 3.32Å; I20-I22 PolarHBondContact O-N 2.97Å; I22-E25 PolarHBondContact O-N 3.19Å; I22-R26 WeakPolarHBondContact O-CG 3.3Å; I22-R26 PolarHBondContact O-N 3.03Å; I22-P215 HydrophobicContact CG2-CB 4.13Å; I22-P215 HydrophobicContact CG2-CG 4.19Å; I22-P216 WeakPolarHBondContact CG2-O 3.43Å |
| 23 | L | 59 | Low | 59.1 | Low | 69 Ų | 69 | 98.5 Ų | 98.5 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 174.8 | -72 | 165.7 | 0 | 0 | 0 | 111.2 | P19 I20 E25 R26 E27 P218 | P19-L23 WeakPolarHBondContact O-CG 3.37Å; P19-L23 PolarHBondContact O-N 3.23Å; I20-L23 PolarHBondContact O-N 3.04Å; L23-E25 VanDerWaalsContact C-N 3.26Å; L23-E25 PolarHBondContact O-N 3.35Å; L23-R26 WeakPolarHBondContact O-CA 3.37Å; L23-R26 WeakPolarHBondContact O-CB 3.32Å; L23-R26 PolarHBondContact O-N 3.14Å; L23-E27 WeakPolarHBondContact O-CG 3.5Å; L23-E27 PolarHBondContact O-N 3.15Å; L23-P218 HydrophobicContact CD1-CG 3.89Å; L23-P218 HydrophobicContact CD2-CG 3.87Å; L23-P218 HydrophobicContact CG-CG 3.67Å |
| 24 | S | 60.4 | Low | 62 | Low | 31 Ų | 31 | 92.1 Ų | 92.1 | 22% | 0.217 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.9 | -30.2 | 177.7 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | I20 D21 R28 | I20-S24 WeakPolarHBondContact O-CB 3.27Å; I20-S24 PolarHBondContact O-N 2.86Å; I20-S24 PolarHBondContact O-OG 3.29Å; D21-S24 PolarHBondContact O-OG 3.01Å; S24-R28 VanDerWaalsContact O-CB 3.27Å; S24-R28 WeakPolarHBondContact O-CB 3.28Å; S24-R28 WeakPolarHBondContact O-CG 3.44Å; S24-R28 PolarHBondContact O-N 3.03Å; S24-R28 VanDerWaalsContact O-N 3.11Å; S24-R28 PolarHBondContact O-NE 3.35Å; S24-R28 PolarHBondContact OG-NH2 3.24Å |
| 25 | E | 68.7 | Low | 64.8 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 172 | -175 | 170.4 | -155.7 | 0 | 0 | 111.4 | K17 D21 I22 L23 R28 C29 | K17-E25 VanDerWaalsContact NZ-CD 3.28Å; K17-E25 IonicContact NZ-OE1 3.2Å; K17-E25 PolarHBondContact NZ-OE1 2.86Å; K17-E25 IonicContact NZ-OE2 3.75Å; K17-E25 PolarHBondContact NZ-OE2 2.86Å; D21-E25 VanDerWaalsContact O-CB 3.27Å; D21-E25 WeakPolarHBondContact O-CB 3.39Å; D21-E25 PolarHBondContact O-N 3.33Å; I22-E25 PolarHBondContact O-N 3.19Å; L23-E25 VanDerWaalsContact C-N 3.26Å; L23-E25 PolarHBondContact O-N 3.35Å; E25-R28 PolarHBondContact O-N 2.79Å; E25-C29 WeakPolarHBondContact O-CB 3.38Å; E25-C29 PolarHBondContact O-N 2.92Å; E25-C29 VanDerWaalsContact O-N 3.15Å; E25-C29 PolarHBondContact O-SG 2.95Å; E25-C29 VanDerWaalsContact O-SG 3.42Å |
| 26 | R | 69.5 | Low | 67.9 | Low | 52 Ų | 52 | 79 Ų | 79 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.6 | -52.8 | 172.1 | -76.5 | -174.4 | 152.1 | -120.7 | -6.5 | 111.9 | I22 L23 R28 C29 I30 L214 P215 E217 | I22-R26 WeakPolarHBondContact O-CG 3.3Å; I22-R26 PolarHBondContact O-N 3.03Å; L23-R26 WeakPolarHBondContact O-CA 3.37Å; L23-R26 WeakPolarHBondContact O-CB 3.32Å; L23-R26 PolarHBondContact O-N 3.14Å; R26-R28 PolarHBondContact O-N 3.15Å; R26-C29 WeakPolarHBondContact O-CA 3.47Å; R26-C29 PolarHBondContact O-N 3.33Å; R26-I30 HydrophobicContact CB-CD1 4.2Å; R26-I30 WeakPolarHBondContact O-CG1 3.39Å; R26-I30 PolarHBondContact O-N 3.16Å; R26-L214 HydrophobicContact CG-CD1 4.45Å; R26-L214 HydrophobicContact CG-CD2 3.98Å; R26-L214 HydrophobicContact CG-CG 4.06Å; R26-P215 HydrophobicContact CG-CG 4.44Å; R26-P215 VanDerWaalsContact CZ-O 3.24Å; R26-P215 PolarHBondContact NE-O 3.05Å; R26-P215 PolarHBondContact NH2-O 3.41Å; R26-E217 IonicContact NH1-OE2 3.91Å |
| 27 | E | 68.9 | Low | 70.4 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61 | -29.7 | 179.4 | -70.1 | 176.1 | 173.3 | 0 | 0 | 113.5 | L23 R32 | L23-E27 WeakPolarHBondContact O-CG 3.5Å; L23-E27 PolarHBondContact O-N 3.15Å; E27-R32 VanDerWaalsContact O-CZ 3.24Å; E27-R32 PolarHBondContact O-NE 3.49Å; E27-R32 PolarHBondContact O-NH2 3.41Å |
| 28 | R | 69.7 | Low | 72.5 | Confident | 143 Ų | 143 | 75.1 Ų | 75.1 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.6 | -18.4 | 172.8 | -78 | 178.8 | -74.5 | 177.9 | -7.2 | 113.5 | S24 E25 R26 R32 | S24-R28 VanDerWaalsContact O-CB 3.27Å; S24-R28 WeakPolarHBondContact O-CB 3.28Å; S24-R28 WeakPolarHBondContact O-CG 3.44Å; S24-R28 PolarHBondContact O-N 3.03Å; S24-R28 VanDerWaalsContact O-N 3.11Å; S24-R28 PolarHBondContact O-NE 3.35Å; S24-R28 PolarHBondContact OG-NH2 3.24Å; E25-R28 PolarHBondContact O-N 2.79Å; R26-R28 PolarHBondContact O-N 3.15Å; R28-R32 WeakPolarHBondContact O-CD 3.33Å |
| 29 | C | 76.3 | Confident | 74.7 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -99 | -44.4 | -178.9 | -80.6 | 0 | 0 | 0 | 0 | 113.9 | E25 R26 D31 R32 A35 Y154 L214 | E25-C29 WeakPolarHBondContact O-CB 3.38Å; E25-C29 PolarHBondContact O-N 2.92Å; E25-C29 VanDerWaalsContact O-N 3.15Å; E25-C29 PolarHBondContact O-SG 2.95Å; E25-C29 VanDerWaalsContact O-SG 3.42Å; R26-C29 WeakPolarHBondContact O-CA 3.47Å; R26-C29 PolarHBondContact O-N 3.33Å; C29-D31 PolarHBondContact O-N 2.82Å; C29-R32 PolarHBondContact O-N 2.88Å; C29-A35 WeakPolarHBondContact O-CB 3.42Å; C29-Y154 HydrophobicContact CB-CD1 4.21Å; C29-Y154 HydrophobicContact CB-CE1 3.92Å; C29-L214 HydrophobicContact CB-CD1 3.8Å |
| 30 | I | 77.8 | Confident | 76.6 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 18% | 0.179 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 129.6 | -172 | -65.6 | 165.1 | 0 | 0 | 0 | 110.9 | R26 R32 Y154 D156 L214 | R26-I30 HydrophobicContact CB-CD1 4.2Å; R26-I30 WeakPolarHBondContact O-CG1 3.39Å; R26-I30 PolarHBondContact O-N 3.16Å; I30-R32 WeakPolarHBondContact O-CG 3.4Å; I30-R32 PolarHBondContact O-N 2.94Å; I30-Y154 WeakPolarHBondContact CA-O 3.28Å; I30-D156 HydrophobicContact CG2-CB 4.16Å; I30-L214 HydrophobicContact CD1-CD2 4.26Å; I30-L214 HydrophobicContact CG1-CD2 4.12Å |
| 31 | D | 76.9 | Confident | 78.4 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -1.7 | -177 | -67 | -57 | 0 | 0 | 0 | 116.4 | C29 Y154 F155 D156 R157 Y158 | C29-D31 PolarHBondContact O-N 2.82Å; D31-Y154 PolarHBondContact N-O 3.45Å; D31-F155 WeakPolarHBondContact OD1-CA 3.36Å; D31-F155 WeakPolarHBondContact OD1-CD1 3.21Å; D31-D156 PolarHBondContact OD1-N 3.3Å; D31-D156 PolarHBondContact OD2-N 3.27Å; D31-D156 VanDerWaalsContact OD2-N 3.1Å; D31-R157 PolarHBondContact OD1-N 3.38Å; D31-R157 WeakPolarHBondContact OD2-CB 3.5Å; D31-R157 PolarHBondContact OD2-N 3.35Å; D31-Y158 HydrophobicContact CB-CD2 4.14Å; D31-Y158 PolarHBondContact OD1-N 3.15Å |
| 32 | R | 85.4 | Confident | 79.8 | Confident | 137 Ų | 137 | 64.1 Ų | 64.1 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -88.1 | 176.3 | -178.1 | -56.7 | -153.3 | -161.6 | -160.9 | 1.9 | 112.7 | E27 R28 C29 I30 P34 A35 | E27-R32 VanDerWaalsContact O-CZ 3.24Å; E27-R32 PolarHBondContact O-NE 3.49Å; E27-R32 PolarHBondContact O-NH2 3.41Å; R28-R32 WeakPolarHBondContact O-CD 3.33Å; C29-R32 PolarHBondContact O-N 2.88Å; I30-R32 WeakPolarHBondContact O-CG 3.4Å; I30-R32 PolarHBondContact O-N 2.94Å; R32-P34 VanDerWaalsContact C-N 3.3Å; R32-P34 VanDerWaalsContact O-N 3.09Å; R32-A35 WeakPolarHBondContact O-CB 3.49Å; R32-A35 PolarHBondContact O-N 3.41Å |
| 33 | R | 86.9 | Confident | 81.4 | Confident | 224 Ų | 224 | 64 Ų | 64 | 85% | 0.845 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -43.7 | -41.8 | 178 | -64.7 | -177.4 | 179.6 | 177.9 | -0.5 | 114.8 | A35 W36 I37 | R33-A35 PolarHBondContact O-N 2.91Å; R33-W36 PolarHBondContact O-N 3.15Å; R33-I37 PolarHBondContact O-N 3.32Å |
| 34 | P | 86.1 | Confident | 83.1 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 34% | 0.338 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 177.6 | -23.4 | 35.9 | 0 | 0 | 0 | 113.9 | R32 W36 I37 K38 | R32-P34 VanDerWaalsContact C-N 3.3Å; R32-P34 VanDerWaalsContact O-N 3.09Å; P34-W36 VanDerWaalsContact C-N 3.34Å; P34-W36 PolarHBondContact O-N 3.11Å; P34-I37 PolarHBondContact O-N 2.9Å; P34-K38 WeakPolarHBondContact O-CG 3.38Å; P34-K38 PolarHBondContact O-N 2.83Å |
| 35 | A | 87.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C29 R32 R33 I37 K38 A39 Y154 F155 | C29-A35 WeakPolarHBondContact O-CB 3.42Å; R32-A35 WeakPolarHBondContact O-CB 3.49Å; R32-A35 PolarHBondContact O-N 3.41Å; R33-A35 PolarHBondContact O-N 2.91Å; A35-I37 VanDerWaalsContact C-N 3.31Å; A35-I37 PolarHBondContact O-N 2.82Å; A35-K38 CarbonylContact O-C 3.59Å; A35-K38 WeakPolarHBondContact O-CA 3.29Å; A35-K38 WeakPolarHBondContact O-CB 3.45Å; A35-K38 PolarHBondContact O-N 3.29Å; A35-A39 PolarHBondContact O-N 3.49Å; A35-Y154 HydrophobicContact CB-CD1 4.1Å; A35-Y154 HydrophobicContact CB-CG 4.41Å; A35-Y154 WeakPolarHBondContact CB-O 3.48Å; A35-F155 VanDerWaalsContact C-CZ 3.48Å; A35-F155 HydrophobicContact CB-CD1 4.46Å; A35-F155 HydrophobicContact CB-CD2 4.31Å; A35-F155 HydrophobicContact CB-CE1 3.93Å; A35-F155 HydrophobicContact CB-CE2 3.73Å; A35-F155 HydrophobicContact CB-CZ 3.55Å |
| 36 | W | 90.9 | Very high | 85.8 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 175.9 | -70 | 101.7 | 0 | 0 | 0 | 113.5 | R33 P34 A39 I40 F155 F161 I165 | R33-W36 PolarHBondContact O-N 3.15Å; P34-W36 VanDerWaalsContact C-N 3.34Å; P34-W36 PolarHBondContact O-N 3.11Å; W36-A39 HydrophobicContact CE3-CB 4.34Å; W36-A39 WeakPolarHBondContact O-CB 3.27Å; W36-A39 PolarHBondContact O-N 3.39Å; W36-I40 WeakPolarHBondContact O-CG1 3.38Å; W36-I40 PolarHBondContact O-N 3.12Å; W36-I40 VanDerWaalsContact O-N 3.08Å; W36-F155 AromaticContact CD2-CE1 3.98Å; W36-F155 HydrophobicContact CD2-CE1 3.98Å; W36-F155 HydrophobicContact CD2-CZ 4.05Å; W36-F155 AromaticContact CE2-CE1 3.65Å; W36-F155 HydrophobicContact CE3-CE1 4.39Å; W36-F155 HydrophobicContact CE3-CZ 4.25Å; W36-F155 HydrophobicContact CG-CE1 4.43Å; W36-F155 HydrophobicContact CG-CZ 4.35Å; W36-F155 HydrophobicContact CH2-CE1 4.24Å; W36-F155 AromaticContact CZ2-CE1 3.81Å; W36-F155 HydrophobicContact CZ2-CE1 3.81Å; W36-F155 AromaticContact NE1-CE1 3.91Å; W36-F161 AromaticContact CH2-CD1 3.77Å; W36-F161 HydrophobicContact CH2-CD1 3.77Å; W36-F161 AromaticContact CH2-CE1 3.78Å; W36-F161 HydrophobicContact CH2-CE1 3.78Å; W36-F161 HydrophobicContact CZ3-CE1 4.31Å; W36-I165 HydrophobicContact CH2-CD1 4.41Å; W36-I165 HydrophobicContact CZ3-CD1 3.75Å |
| 37 | I | 90.9 | Very high | 87 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 172 | -60.6 | 171.1 | 0 | 0 | 0 | 110.4 | R33 P34 A35 A39 I40 C41 | R33-I37 PolarHBondContact O-N 3.32Å; P34-I37 PolarHBondContact O-N 2.9Å; A35-I37 VanDerWaalsContact C-N 3.31Å; A35-I37 PolarHBondContact O-N 2.82Å; I37-A39 VanDerWaalsContact C-N 3.32Å; I37-A39 PolarHBondContact O-N 3.32Å; I37-I40 PolarHBondContact O-N 3.02Å; I37-C41 PolarHBondContact O-N 3.19Å; I37-C41 VanDerWaalsContact O-N 3.1Å; I37-C41 PolarHBondContact O-SG 3.47Å |
| 38 | K | 90 | Very high | 88.2 | Confident | 29 Ų | 29 | 51 Ų | 51 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 172.7 | -51.3 | -65.8 | 170.5 | 158.7 | 0 | 111.5 | P34 A35 I40 C41 A42 Y154 L210 | P34-K38 WeakPolarHBondContact O-CG 3.38Å; P34-K38 PolarHBondContact O-N 2.83Å; A35-K38 CarbonylContact O-C 3.59Å; A35-K38 WeakPolarHBondContact O-CA 3.29Å; A35-K38 WeakPolarHBondContact O-CB 3.45Å; A35-K38 PolarHBondContact O-N 3.29Å; K38-I40 PolarHBondContact O-N 3.48Å; K38-C41 PolarHBondContact O-N 3.05Å; K38-A42 WeakPolarHBondContact O-CB 3.37Å; K38-A42 PolarHBondContact O-N 2.96Å; K38-Y154 HydrophobicContact CB-CD2 4.29Å; K38-Y154 HydrophobicContact CB-CE2 4.46Å; K38-Y154 HydrophobicContact CD-CE2 4.13Å; K38-Y154 HydrophobicContact CG-CD1 4.24Å; K38-Y154 HydrophobicContact CG-CD2 3.98Å; K38-Y154 HydrophobicContact CG-CE1 4.06Å; K38-Y154 HydrophobicContact CG-CE2 3.78Å; K38-Y154 HydrophobicContact CG-CG 4.21Å; K38-L210 PolarHBondContact NZ-O 2.93Å |
| 39 | A | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A35 W36 I37 A42 F43 M151 F155 | A35-A39 PolarHBondContact O-N 3.49Å; W36-A39 HydrophobicContact CE3-CB 4.34Å; W36-A39 WeakPolarHBondContact O-CB 3.27Å; W36-A39 PolarHBondContact O-N 3.39Å; I37-A39 VanDerWaalsContact C-N 3.32Å; I37-A39 PolarHBondContact O-N 3.32Å; A39-A42 WeakPolarHBondContact O-CB 3.37Å; A39-A42 PolarHBondContact O-N 2.75Å; A39-F43 WeakPolarHBondContact O-CB 3.3Å; A39-F43 PolarHBondContact O-N 3.23Å; A39-M151 VanDerWaalsContact CA-SD 3.59Å; A39-M151 HydrophobicContact CB-CE 3.31Å; A39-M151 HydrophobicContact CB-SD 3.91Å; A39-F155 HydrophobicContact CB-CE2 4.16Å; A39-F155 HydrophobicContact CB-CZ 4.08Å |
| 40 | I | 93.1 | Very high | 90.1 | Very high | 102 Ų | 102 | 44.5 Ų | 44.5 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 176.8 | -64.9 | 164.7 | 0 | 0 | 0 | 110.7 | W36 I37 K38 A42 F43 L44 | W36-I40 WeakPolarHBondContact O-CG1 3.38Å; W36-I40 PolarHBondContact O-N 3.12Å; W36-I40 VanDerWaalsContact O-N 3.08Å; I37-I40 PolarHBondContact O-N 3.02Å; K38-I40 PolarHBondContact O-N 3.48Å; I40-A42 VanDerWaalsContact C-N 3.31Å; I40-A42 PolarHBondContact O-N 2.99Å; I40-F43 PolarHBondContact O-N 3.31Å; I40-L44 HydrophobicContact CG2-CD1 4.17Å; I40-L44 WeakPolarHBondContact O-CG 3.32Å; I40-L44 PolarHBondContact O-N 3.23Å |
| 41 | C | 93.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 173 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | I37 K38 L44 M45 F207 | I37-C41 PolarHBondContact O-N 3.19Å; I37-C41 VanDerWaalsContact O-N 3.1Å; I37-C41 PolarHBondContact O-SG 3.47Å; K38-C41 PolarHBondContact O-N 3.05Å; C41-L44 PolarHBondContact O-N 3.46Å; C41-M45 WeakPolarHBondContact O-CB 3.47Å; C41-M45 WeakPolarHBondContact O-CG 3.45Å; C41-M45 PolarHBondContact O-N 2.76Å; C41-F207 HydrophobicContact CB-CB 4.26Å |
| 42 | A | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K38 A39 I40 L44 M45 V46 I147 M151 C166 | K38-A42 WeakPolarHBondContact O-CB 3.37Å; K38-A42 PolarHBondContact O-N 2.96Å; A39-A42 WeakPolarHBondContact O-CB 3.37Å; A39-A42 PolarHBondContact O-N 2.75Å; I40-A42 VanDerWaalsContact C-N 3.31Å; I40-A42 PolarHBondContact O-N 2.99Å; A42-L44 PolarHBondContact O-N 2.83Å; A42-M45 PolarHBondContact O-N 3.36Å; A42-V46 WeakPolarHBondContact O-CB 3.47Å; A42-V46 VanDerWaalsContact O-CG2 3.3Å; A42-V46 WeakPolarHBondContact O-CG2 3.46Å; A42-V46 PolarHBondContact O-N 3.11Å; A42-I147 HydrophobicContact CB-CG2 3.82Å; A42-M151 HydrophobicContact CB-CB 4.36Å; A42-M151 HydrophobicContact CB-CG 4.32Å; A42-M151 HydrophobicContact CB-SD 4.3Å; A42-C166 HydrophobicContact CB-CB 4.5Å |
| 43 | F | 94.3 | Very high | 92 | Very high | 33 Ų | 33 | 34.8 Ų | 34.8 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.8 | -49.7 | 174.6 | 167.9 | -86.2 | 0 | 0 | 0 | 111.8 | A39 I40 V46 G47 I165 S168 G169 F172 M703 | A39-F43 WeakPolarHBondContact O-CB 3.3Å; A39-F43 PolarHBondContact O-N 3.23Å; I40-F43 PolarHBondContact O-N 3.31Å; F43-V46 PolarHBondContact O-N 3.29Å; F43-G47 PolarHBondContact O-N 3.44Å; F43-I165 HydrophobicContact CB-CG2 4.45Å; F43-I165 HydrophobicContact CD2-CG2 4.42Å; F43-I165 WeakPolarHBondContact CD2-O 3.47Å; F43-S168 WeakPolarHBondContact CE2-OG 3.39Å; F43-G169 VanDerWaalsContact CD2-CA 3.41Å; F43-G169 VanDerWaalsContact CD2-N 3.27Å; F43-G169 WeakPolarHBondContact O-CA 3.48Å; F43-F172 HydrophobicContact CE1-CB 4.1Å; F43-F172 AromaticContact CE1-CD1 3.66Å; F43-F172 HydrophobicContact CE1-CD1 3.66Å; F43-F172 HydrophobicContact CE1-CD2 4.38Å; F43-F172 HydrophobicContact CE1-CE1 4.19Å; F43-F172 AromaticContact CE1-CG 3.77Å; F43-F172 HydrophobicContact CE1-CG 3.77Å; F43-F172 HydrophobicContact CE2-CB 4.06Å; F43-F172 HydrophobicContact CZ-CB 3.43Å; F43-F172 VanDerWaalsContact CZ-CB 3.43Å; F43-F172 AromaticContact CZ-CD1 3.91Å; F43-F172 HydrophobicContact CZ-CD1 3.91Å; F43-F172 HydrophobicContact CZ-CD2 4.1Å; F43-F172 AromaticContact CZ-CG 3.54Å; F43-F172 HydrophobicContact CZ-CG 3.54Å; F43-M703 HydrophobicContact CZ-SD 4.41Å |
| 44 | L | 95 | Very high | 92.2 | Very high | 45 Ų | 45 | 24.5 Ų | 24.5 | 24% | 0.236 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | -179.2 | -67.7 | 174 | 0 | 0 | 0 | 111.8 | I40 C41 A42 G47 S48 F172 F207 | I40-L44 HydrophobicContact CG2-CD1 4.17Å; I40-L44 WeakPolarHBondContact O-CG 3.32Å; I40-L44 PolarHBondContact O-N 3.23Å; C41-L44 PolarHBondContact O-N 3.46Å; A42-L44 PolarHBondContact O-N 2.83Å; L44-G47 PolarHBondContact O-N 2.78Å; L44-S48 PolarHBondContact O-N 2.92Å; L44-S48 PolarHBondContact O-OG 2.67Å; L44-F172 HydrophobicContact CD2-CE1 3.95Å; L44-F207 HydrophobicContact CB-CD2 3.94Å; L44-F207 HydrophobicContact CB-CE2 3.85Å; L44-F207 HydrophobicContact CB-CG 4.45Å; L44-F207 HydrophobicContact CB-CZ 4.27Å; L44-F207 HydrophobicContact CD1-CD1 4.28Å; L44-F207 HydrophobicContact CD1-CE1 3.63Å; L44-F207 HydrophobicContact CD1-CE2 3.92Å; L44-F207 HydrophobicContact CD1-CZ 3.44Å; L44-F207 VanDerWaalsContact CD1-CZ 3.44Å; L44-F207 HydrophobicContact CG-CE2 4.47Å; L44-F207 HydrophobicContact CG-CZ 4.44Å |
| 45 | M | 94 | Very high | 92.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.7 | -46.2 | 175.7 | -66.8 | 171.2 | 67 | 0 | 0 | 112 | C41 A42 G47 S48 H49 I147 V204 F207 S208 H211 | C41-M45 WeakPolarHBondContact O-CB 3.47Å; C41-M45 WeakPolarHBondContact O-CG 3.45Å; C41-M45 PolarHBondContact O-N 2.76Å; A42-M45 PolarHBondContact O-N 3.36Å; M45-G47 VanDerWaalsContact C-N 3.27Å; M45-G47 PolarHBondContact O-N 3.04Å; M45-S48 PolarHBondContact O-N 3.25Å; M45-H49 PolarHBondContact O-CE1 3.13Å; M45-H49 PolarHBondContact O-N 3.4Å; M45-H49 PolarHBondContact O-ND1 2.94Å; M45-I147 HydrophobicContact CB-CD1 3.79Å; M45-I147 HydrophobicContact CE-CD1 3.89Å; M45-I147 HydrophobicContact CE-CG1 3.86Å; M45-V204 HydrophobicContact CE-CG1 4.08Å; M45-V204 HydrophobicContact CG-CG1 4.23Å; M45-F207 HydrophobicContact CG-CB 3.52Å; M45-F207 HydrophobicContact CG-CD2 4.49Å; M45-F207 HydrophobicContact CG-CG 4.42Å; M45-F207 HydrophobicContact SD-CB 3.84Å; M45-S208 WeakPolarHBondContact CE-OG 3.43Å; M45-H211 HydrophobicContact SD-CB 4.19Å |
| 46 | V | 93.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 176 | 171 | 0 | 0 | 0 | 0 | 110.3 | A42 F43 H49 Y50 I147 C166 | A42-V46 WeakPolarHBondContact O-CB 3.47Å; A42-V46 VanDerWaalsContact O-CG2 3.3Å; A42-V46 WeakPolarHBondContact O-CG2 3.46Å; A42-V46 PolarHBondContact O-N 3.11Å; F43-V46 PolarHBondContact O-N 3.29Å; V46-H49 PolarHBondContact O-N 2.93Å; V46-Y50 HydrophobicContact CG1-CD2 3.62Å; V46-Y50 HydrophobicContact CG1-CE2 4.01Å; V46-Y50 WeakPolarHBondContact O-CB 3.29Å; V46-Y50 WeakPolarHBondContact O-CD2 3.13Å; V46-Y50 PolarHBondContact O-N 2.92Å; V46-I147 HydrophobicContact CG2-CD1 4.44Å; V46-I147 HydrophobicContact CG2-CG2 3.94Å; V46-C166 WeakPolarHBondContact CB-O 3.4Å; V46-C166 WeakPolarHBondContact CG1-O 3.49Å |
| 47 | G | 94.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F43 L44 M45 H49 G51 G169 G173 | F43-G47 PolarHBondContact O-N 3.44Å; L44-G47 PolarHBondContact O-N 2.78Å; M45-G47 VanDerWaalsContact C-N 3.27Å; M45-G47 PolarHBondContact O-N 3.04Å; G47-H49 PolarHBondContact O-N 3.02Å; G47-G51 WeakPolarHBondContact O-CA 3.42Å; G47-G51 PolarHBondContact O-N 3.1Å; G47-G169 VanDerWaalsContact CA-C 3.43Å; G47-G169 WeakPolarHBondContact CA-O 3.39Å; G47-G173 WeakPolarHBondContact O-CA 3.48Å |
| 48 | S | 94.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 14 Ų | 14 | 9% | 0.091 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 176.1 | -71 | 0 | 0 | 0 | 0 | 113.2 | L44 M45 I52 Y177 | L44-S48 PolarHBondContact O-N 2.92Å; L44-S48 PolarHBondContact O-OG 2.67Å; M45-S48 PolarHBondContact O-N 3.25Å; S48-I52 WeakPolarHBondContact O-CD1 3.45Å; S48-I52 WeakPolarHBondContact O-CG1 3.29Å; S48-Y177 WeakPolarHBondContact CA-OH 3.35Å; S48-Y177 PolarHBondContact OG-OH 2.88Å |
| 49 | H | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -74.7 | -57.7 | -178.9 | -55.2 | 107.9 | 0 | 0 | 0 | 112.3 | M45 V46 G47 G51 I52 L53 M140 S143 V144 H201 | M45-H49 PolarHBondContact O-CE1 3.13Å; M45-H49 PolarHBondContact O-N 3.4Å; M45-H49 PolarHBondContact O-ND1 2.94Å; V46-H49 PolarHBondContact O-N 2.93Å; G47-H49 PolarHBondContact O-N 3.02Å; H49-G51 VanDerWaalsContact C-N 3.27Å; H49-G51 PolarHBondContact O-N 3.42Å; H49-I52 PolarHBondContact O-N 2.98Å; H49-L53 WeakPolarHBondContact O-CG 3.21Å; H49-L53 PolarHBondContact O-N 3.19Å; H49-M140 HydrophobicContact CB-CG 4.17Å; H49-M140 HydrophobicContact CB-SD 4.22Å; H49-S143 PolarHBondContact CE1-OG 3Å; H49-S143 VanDerWaalsContact NE2-CB 3.32Å; H49-S143 WeakPolarHBondContact NE2-CB 2.98Å; H49-S143 PolarHBondContact NE2-OG 3.26Å; H49-V144 HydrophobicContact CB-CG2 4.4Å; H49-H201 AromaticContact CD2-NE2 3.4Å; H49-H201 PolarHBondContact CD2-NE2 3.07Å; H49-H201 AromaticContact NE2-NE2 3.73Å |
| 50 | Y | 91.8 | Very high | 92.2 | Very high | 29 Ų | 29 | 12.7 Ų | 12.7 | 11% | 0.114 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65 | -32.6 | -177.4 | -81.7 | -89.8 | 0 | 0 | 0 | 112.6 | V46 L53 N54 F82 V144 | V46-Y50 HydrophobicContact CG1-CD2 3.62Å; V46-Y50 HydrophobicContact CG1-CE2 4.01Å; V46-Y50 WeakPolarHBondContact O-CB 3.29Å; V46-Y50 WeakPolarHBondContact O-CD2 3.13Å; V46-Y50 PolarHBondContact O-N 2.92Å; Y50-L53 PolarHBondContact O-N 3.43Å; Y50-N54 VanDerWaalsContact O-CB 3.31Å; Y50-N54 WeakPolarHBondContact O-CB 3.41Å; Y50-N54 PolarHBondContact O-N 3.22Å; Y50-N54 PolarHBondContact O-ND2 3.39Å; Y50-N54 PolarHBondContact O-OD1 3.15Å; Y50-F82 HydrophobicContact CD1-CE2 4.21Å; Y50-F82 AromaticContact CE1-CE2 3.95Å; Y50-F82 HydrophobicContact CE1-CE2 3.95Å; Y50-F82 HydrophobicContact CE1-CZ 4.11Å; Y50-V144 HydrophobicContact CE2-CG2 4.22Å |
| 51 | G | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G47 H49 V55 G173 Y177 | G47-G51 WeakPolarHBondContact O-CA 3.42Å; G47-G51 PolarHBondContact O-N 3.1Å; H49-G51 VanDerWaalsContact C-N 3.27Å; H49-G51 PolarHBondContact O-N 3.42Å; G51-V55 WeakPolarHBondContact O-CG1 3.32Å; G51-V55 WeakPolarHBondContact O-CG2 3.32Å; G51-V55 PolarHBondContact O-N 3.15Å; G51-G173 VanDerWaalsContact CA-C 3.46Å; G51-Y177 VanDerWaalsContact C-CD2 3.46Å |
| 52 | I | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 173.7 | -67.9 | 168.9 | 0 | 0 | 0 | 111 | S48 H49 N54 M116 M140 Y177 L197 H201 | S48-I52 WeakPolarHBondContact O-CD1 3.45Å; S48-I52 WeakPolarHBondContact O-CG1 3.29Å; H49-I52 PolarHBondContact O-N 2.98Å; I52-N54 VanDerWaalsContact C-N 3.3Å; I52-N54 PolarHBondContact O-N 3.48Å; I52-M116 HydrophobicContact CD1-SD 4.47Å; I52-M116 HydrophobicContact CG2-CE 3.83Å; I52-M116 HydrophobicContact CG2-SD 4.17Å; I52-M140 HydrophobicContact CB-CE 4.05Å; I52-M140 HydrophobicContact CD1-CE 4.13Å; I52-M140 HydrophobicContact CG2-CE 3.92Å; I52-Y177 HydrophobicContact CG1-CD2 4.31Å; I52-Y177 HydrophobicContact CG1-CE2 3.96Å; I52-L197 HydrophobicContact CG1-CB 4.49Å; I52-L197 HydrophobicContact CG1-CD2 4.49Å; I52-H201 HydrophobicContact CD1-CB 3.8Å; I52-H201 VanDerWaalsContact CD1-CD2 3.49Å; I52-H201 WeakPolarHBondContact CD1-CD2 3.49Å |
| 53 | L | 92.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.4 | -30.2 | 179.7 | -67.3 | 171.7 | 0 | 0 | 0 | 113.7 | H49 Y50 M78 Q81 F82 T85 M140 | H49-L53 WeakPolarHBondContact O-CG 3.21Å; H49-L53 PolarHBondContact O-N 3.19Å; Y50-L53 PolarHBondContact O-N 3.43Å; L53-M78 WeakPolarHBondContact O-CG 3.33Å; L53-Q81 HydrophobicContact CD2-CB 4.15Å; L53-Q81 HydrophobicContact CD2-CG 3.84Å; L53-F82 HydrophobicContact CB-CD2 4.05Å; L53-F82 HydrophobicContact CD1-CD2 3.83Å; L53-F82 HydrophobicContact CD1-CE2 4.25Å; L53-F82 HydrophobicContact CD1-CG 4.49Å; L53-F82 HydrophobicContact CD2-CB 4.31Å; L53-F82 HydrophobicContact CG-CD2 4.39Å; L53-T85 HydrophobicContact CD1-CG2 4.27Å; L53-M140 HydrophobicContact CD1-SD 3.84Å; L53-M140 HydrophobicContact CD2-SD 3.66Å; L53-M140 HydrophobicContact CG-SD 3.53Å; L53-M140 VanDerWaalsContact CG-SD 3.53Å |
| 54 | N | 91.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 4% | 0.043 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -88.7 | -21.6 | -175.1 | -71 | -2.8 | 0 | 0 | 0 | 114.1 | Y50 I52 T174 Y674 | Y50-N54 VanDerWaalsContact O-CB 3.31Å; Y50-N54 WeakPolarHBondContact O-CB 3.41Å; Y50-N54 PolarHBondContact O-N 3.22Å; Y50-N54 PolarHBondContact O-ND2 3.39Å; Y50-N54 PolarHBondContact O-OD1 3.15Å; I52-N54 VanDerWaalsContact C-N 3.3Å; I52-N54 PolarHBondContact O-N 3.48Å; N54-T174 HydrophobicContact CB-CG2 4.2Å; N54-T174 PolarHBondContact ND2-OG1 2.75Å; N54-Y674 HydrophobicContact CB-CD1 3.83Å; N54-Y674 HydrophobicContact CB-CE1 3.91Å |
| 55 | V | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -91.1 | -0.4 | -176.7 | -62 | 0 | 0 | 0 | 0 | 114.3 | G51 A57 L58 F59 L197 L695 | G51-V55 WeakPolarHBondContact O-CG1 3.32Å; G51-V55 WeakPolarHBondContact O-CG2 3.32Å; G51-V55 PolarHBondContact O-N 3.15Å; V55-A57 PolarHBondContact O-N 3.46Å; V55-L58 HydrophobicContact CB-CD1 4.32Å; V55-L58 WeakPolarHBondContact O-CD1 3.25Å; V55-L58 PolarHBondContact O-N 3.43Å; V55-F59 HydrophobicContact CG2-CE2 4.47Å; V55-L197 HydrophobicContact CG2-CD1 3.87Å; V55-L695 HydrophobicContact CG1-CD2 4.25Å |
| 56 | G | 87.6 | Confident | 91 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -54.1 | -29.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L58 F59 | G56-L58 VanDerWaalsContact C-N 3.29Å; G56-L58 PolarHBondContact O-N 3.04Å; G56-F59 WeakPolarHBondContact O-CD2 3.39Å; G56-F59 PolarHBondContact O-N 3.3Å |
| 57 | A | 86.5 | Confident | 90.8 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -65.1 | -24.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | V55 F59 Y60 Y674 | V55-A57 PolarHBondContact O-N 3.46Å; A57-F59 PolarHBondContact O-N 2.99Å; A57-Y60 VanDerWaalsContact CA-CE2 3.45Å; A57-Y60 HydrophobicContact CB-CD2 4.03Å; A57-Y60 HydrophobicContact CB-CE2 3.74Å; A57-Y60 PolarHBondContact O-N 3.37Å; A57-Y674 WeakPolarHBondContact CB-O 3.4Å |
| 58 | L | 90.5 | Very high | 90.5 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -65.1 | -22.3 | 176.9 | -82.4 | 76.9 | 0 | 0 | 0 | 112.5 | V55 G56 T178 C181 I185 I678 L695 | V55-L58 HydrophobicContact CB-CD1 4.32Å; V55-L58 WeakPolarHBondContact O-CD1 3.25Å; V55-L58 PolarHBondContact O-N 3.43Å; G56-L58 VanDerWaalsContact C-N 3.29Å; G56-L58 PolarHBondContact O-N 3.04Å; L58-T178 HydrophobicContact CD2-CG2 4.3Å; L58-C181 HydrophobicContact CD2-CB 3.87Å; L58-I185 HydrophobicContact CB-CD1 3.98Å; L58-I185 HydrophobicContact CD2-CD1 4.48Å; L58-I678 HydrophobicContact CD1-CD1 3.44Å; L58-I678 VanDerWaalsContact CD1-CD1 3.44Å; L58-I678 HydrophobicContact CG-CD1 4.05Å; L58-L695 HydrophobicContact CD1-CD2 3.58Å |
| 59 | F | 91 | Very high | 90.2 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -88.8 | -11.6 | -177.3 | -50 | -53.4 | 0 | 0 | 0 | 113.4 | V55 G56 A57 G62 L63 C181 I185 W190 A193 I194 L197 | V55-F59 HydrophobicContact CG2-CE2 4.47Å; G56-F59 WeakPolarHBondContact O-CD2 3.39Å; G56-F59 PolarHBondContact O-N 3.3Å; A57-F59 PolarHBondContact O-N 2.99Å; F59-G62 PolarHBondContact O-N 3.49Å; F59-L63 HydrophobicContact CB-CD1 3.79Å; F59-L63 HydrophobicContact CB-CG 4.27Å; F59-L63 WeakPolarHBondContact O-CB 3.37Å; F59-L63 VanDerWaalsContact O-CG 3.32Å; F59-L63 WeakPolarHBondContact O-CG 3.31Å; F59-L63 PolarHBondContact O-N 2.81Å; F59-C181 HydrophobicContact CE1-CB 4.3Å; F59-C181 HydrophobicContact CZ-CB 4.4Å; F59-I185 HydrophobicContact CD1-CD1 4.09Å; F59-I185 HydrophobicContact CE1-CD1 4.13Å; F59-W190 HydrophobicContact CD1-CB 4.19Å; F59-A193 HydrophobicContact CE1-CB 3.79Å; F59-I194 HydrophobicContact CD1-CD1 4.48Å; F59-I194 HydrophobicContact CD1-CG1 4.14Å; F59-I194 HydrophobicContact CD2-CD1 4.29Å; F59-I194 HydrophobicContact CD2-CG1 4.18Å; F59-I194 HydrophobicContact CE1-CG1 3.98Å; F59-I194 HydrophobicContact CE2-CG1 4.02Å; F59-I194 HydrophobicContact CG-CD1 4.24Å; F59-I194 HydrophobicContact CG-CG1 4.24Å; F59-I194 HydrophobicContact CZ-CG1 3.92Å; F59-L197 HydrophobicContact CE2-CD1 4.02Å; F59-L197 HydrophobicContact CZ-CD1 3.7Å |
| 60 | Y | 88.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | -171.7 | -63.8 | -27.3 | 0 | 0 | 0 | 115.2 | A57 G62 L63 E64 I71 L74 F75 M78 | A57-Y60 VanDerWaalsContact CA-CE2 3.45Å; A57-Y60 HydrophobicContact CB-CD2 4.03Å; A57-Y60 HydrophobicContact CB-CE2 3.74Å; A57-Y60 PolarHBondContact O-N 3.37Å; Y60-G62 PolarHBondContact O-N 2.99Å; Y60-L63 HydrophobicContact CD1-CD1 4.47Å; Y60-L63 PolarHBondContact O-N 2.96Å; Y60-E64 WeakPolarHBondContact O-CB 3.31Å; Y60-E64 PolarHBondContact O-N 3.3Å; Y60-I71 HydrophobicContact CD2-CG2 3.95Å; Y60-I71 HydrophobicContact CG-CG2 4.31Å; Y60-L74 HydrophobicContact CD1-CB 3.61Å; Y60-L74 HydrophobicContact CD1-CD1 4.31Å; Y60-L74 HydrophobicContact CE1-CB 3.87Å; Y60-L74 VanDerWaalsContact CE1-O 3.28Å; Y60-L74 WeakPolarHBondContact CE1-O 3.42Å; Y60-L74 HydrophobicContact CG-CB 4.22Å; Y60-L74 WeakPolarHBondContact O-CD1 3.43Å; Y60-F75 HydrophobicContact CD2-CE1 4.17Å; Y60-F75 HydrophobicContact CD2-CZ 4.32Å; Y60-F75 AromaticContact CE2-CD1 3.65Å; Y60-F75 HydrophobicContact CE2-CD1 3.65Å; Y60-F75 AromaticContact CE2-CE1 3.36Å; Y60-F75 HydrophobicContact CE2-CE1 3.36Å; Y60-F75 HydrophobicContact CE2-CG 4.4Å; Y60-F75 AromaticContact CE2-CZ 3.94Å; Y60-F75 HydrophobicContact CE2-CZ 3.94Å; Y60-F75 AromaticContact CZ-CD1 3.95Å; Y60-M78 WeakPolarHBondContact OH-CB 3.49Å |
| 61 | P | 86.3 | Confident | 89.3 | Confident | 53 Ų | 53 | 32 Ų | 32 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 177.8 | -25.5 | 35.6 | 0 | 0 | 0 | 112.6 | L63 E64 E65 | P61-L63 PolarHBondContact O-N 3.37Å; P61-E64 PolarHBondContact O-N 2.98Å; P61-E65 PolarHBondContact O-N 3.02Å; P61-E65 VanDerWaalsContact O-N 3.16Å |
| 62 | G | 88.8 | Confident | 88.7 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.6 | -26.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F59 Y60 T66 W190 | F59-G62 PolarHBondContact O-N 3.49Å; Y60-G62 PolarHBondContact O-N 2.99Å; G62-T66 WeakPolarHBondContact O-CB 3.34Å; G62-T66 PolarHBondContact O-N 3.48Å; G62-T66 PolarHBondContact O-OG1 2.84Å; G62-W190 PolarHBondContact O-NE1 3.45Å |
| 63 | L | 91 | Very high | 88.2 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -76.6 | -35.3 | 172.6 | -74.2 | 171.6 | 0 | 0 | 0 | 112.2 | F59 Y60 P61 T66 L67 L74 L77 F128 W190 | F59-L63 HydrophobicContact CB-CD1 3.79Å; F59-L63 HydrophobicContact CB-CG 4.27Å; F59-L63 WeakPolarHBondContact O-CB 3.37Å; F59-L63 VanDerWaalsContact O-CG 3.32Å; F59-L63 WeakPolarHBondContact O-CG 3.31Å; F59-L63 PolarHBondContact O-N 2.81Å; Y60-L63 HydrophobicContact CD1-CD1 4.47Å; Y60-L63 PolarHBondContact O-N 2.96Å; P61-L63 PolarHBondContact O-N 3.37Å; L63-T66 PolarHBondContact O-N 3.16Å; L63-L67 HydrophobicContact CB-CD1 4.44Å; L63-L67 HydrophobicContact CD2-CD1 4.05Å; L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.31Å; L63-L74 HydrophobicContact CB-CD1 3.9Å; L63-L74 HydrophobicContact CB-CD2 4.16Å; L63-L77 HydrophobicContact CD1-CD1 4.13Å; L63-F128 HydrophobicContact CD1-CE1 4.33Å; L63-F128 HydrophobicContact CD1-CZ 4.29Å; L63-F128 HydrophobicContact CD2-CD2 4.27Å; L63-F128 HydrophobicContact CD2-CE1 4.31Å; L63-F128 HydrophobicContact CD2-CE2 3.87Å; L63-F128 HydrophobicContact CD2-CZ 3.9Å; L63-W190 HydrophobicContact CD2-CE3 4.18Å; L63-W190 HydrophobicContact CD2-CH2 3.75Å; L63-W190 HydrophobicContact CD2-CZ2 4.31Å; L63-W190 HydrophobicContact CD2-CZ3 3.67Å; L63-W190 HydrophobicContact CG-CZ3 4.48Å |
| 64 | E | 89.8 | Confident | 88.1 | Confident | 72 Ų | 72 | 37.2 Ų | 37.2 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.8 | 179.7 | 162.5 | -121.8 | 0 | 0 | 110.4 | Y60 P61 T66 Q68 S70 I71 L74 | Y60-E64 WeakPolarHBondContact O-CB 3.31Å; Y60-E64 PolarHBondContact O-N 3.3Å; P61-E64 PolarHBondContact O-N 2.98Å; E64-T66 PolarHBondContact O-N 3.19Å; E64-Q68 VanDerWaalsContact O-CA 3.31Å; E64-Q68 WeakPolarHBondContact O-CA 3.43Å; E64-Q68 PolarHBondContact O-N 2.87Å; E64-S70 WeakPolarHBondContact OE1-CA 3.46Å; E64-I71 WeakPolarHBondContact OE1-CG1 3.34Å; E64-I71 PolarHBondContact OE1-N 3.11Å; E64-I71 VanDerWaalsContact OE1-N 3.11Å; E64-I71 VanDerWaalsContact OE2-CG1 3.3Å; E64-I71 WeakPolarHBondContact OE2-CG1 3.09Å; E64-L74 HydrophobicContact CB-CD1 3.89Å |
| 65 | E | 89.1 | Confident | 87.9 | Confident | 156 Ų | 156 | 36.9 Ų | 36.9 | 73% | 0.729 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -58.6 | -44.9 | 173.6 | -173.4 | -173.9 | -168.4 | 0 | 0 | 112.3 | P61 | P61-E65 PolarHBondContact O-N 3.02Å; P61-E65 VanDerWaalsContact O-N 3.16Å |
| 66 | T | 90.9 | Very high | 87.7 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 22% | 0.221 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.5 | -38.1 | -174.6 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | G62 L63 E64 W190 | G62-T66 WeakPolarHBondContact O-CB 3.34Å; G62-T66 PolarHBondContact O-N 3.48Å; G62-T66 PolarHBondContact O-OG1 2.84Å; L63-T66 PolarHBondContact O-N 3.16Å; E64-T66 PolarHBondContact O-N 3.19Å; T66-W190 HydrophobicContact CG2-CZ2 4.04Å; T66-W190 WeakPolarHBondContact OG1-CZ2 3.44Å |
| 67 | L | 90.5 | Very high | 87.9 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -100 | -12.8 | -172.5 | -57.9 | 177.1 | 0 | 0 | 0 | 113.2 | L63 V69 L74 Y125 | L63-L67 HydrophobicContact CB-CD1 4.44Å; L63-L67 HydrophobicContact CD2-CD1 4.05Å; L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.31Å; L67-V69 HydrophobicContact CB-CG2 4.07Å; L67-V69 VanDerWaalsContact O-CG2 3.31Å; L67-V69 WeakPolarHBondContact O-CG2 3.48Å; L67-V69 PolarHBondContact O-N 3.17Å; L67-L74 HydrophobicContact CD1-CD2 4.09Å; L67-Y125 HydrophobicContact CD1-CD2 4.42Å |
| 68 | Q | 88.7 | Confident | 87.9 | Confident | 183 Ų | 183 | 41.9 Ų | 41.9 | 86% | 0.855 | 21% | 0.214 | S | C | * | . | trans | 56.6 | 35.5 | -177.2 | -56.8 | -176.2 | -15.7 | 0 | 0 | 113.4 | E64 | E64-Q68 VanDerWaalsContact O-CA 3.31Å; E64-Q68 WeakPolarHBondContact O-CA 3.43Å; E64-Q68 PolarHBondContact O-N 2.87Å | ||
| 69 | V | 87.2 | Confident | 88 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 19% | 0.194 | 21% | 0.211 | C | C | . | . | trans | -121.6 | 137.2 | 177.9 | -158.6 | 0 | 0 | 0 | 0 | 109.6 | L67 H73 Y125 | L67-V69 HydrophobicContact CB-CG2 4.07Å; L67-V69 VanDerWaalsContact O-CG2 3.31Å; L67-V69 WeakPolarHBondContact O-CG2 3.48Å; L67-V69 PolarHBondContact O-N 3.17Å; V69-H73 HydrophobicContact CG1-CB 3.47Å; V69-H73 VanDerWaalsContact CG1-CB 3.47Å; V69-Y125 HydrophobicContact CG2-CD2 4.2Å; V69-Y125 HydrophobicContact CG2-CG 4.4Å | ||
| 70 | S | 85.8 | Confident | 88 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | trans | -56.5 | 146.9 | -178.7 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | E64 G72 H73 L74 | E64-S70 WeakPolarHBondContact OE1-CA 3.46Å; S70-G72 PolarHBondContact O-N 2.9Å; S70-H73 PolarHBondContact O-N 3.34Å; S70-H73 PolarHBondContact OG-ND1 3Å; S70-L74 PolarHBondContact O-N 3.03Å | ||
| 71 | I | 81 | Confident | 88.3 | Confident | 26 Ų | 26 | 41.5 Ų | 41.5 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -46.7 | -37.9 | 174.2 | -53.2 | 169.6 | 0 | 0 | 0 | 111.8 | Y60 E64 H73 L74 F75 | Y60-I71 HydrophobicContact CD2-CG2 3.95Å; Y60-I71 HydrophobicContact CG-CG2 4.31Å; E64-I71 WeakPolarHBondContact OE1-CG1 3.34Å; E64-I71 PolarHBondContact OE1-N 3.11Å; E64-I71 VanDerWaalsContact OE1-N 3.11Å; E64-I71 VanDerWaalsContact OE2-CG1 3.3Å; E64-I71 WeakPolarHBondContact OE2-CG1 3.09Å; I71-H73 PolarHBondContact O-N 3.26Å; I71-L74 PolarHBondContact O-N 3.32Å; I71-F75 HydrophobicContact CG2-CD2 4.36Å; I71-F75 HydrophobicContact CG2-CE2 3.6Å; I71-F75 HydrophobicContact CG2-CZ 3.93Å; I71-F75 WeakPolarHBondContact O-CD2 3.06Å; I71-F75 PolarHBondContact O-N 3.45Å |
| 72 | G | 78.8 | Confident | 88.5 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -49.8 | -39 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S70 | S70-G72 PolarHBondContact O-N 2.9Å |
| 73 | H | 84.5 | Confident | 88.7 | Confident | 99 Ų | 99 | 38.8 Ų | 38.8 | 46% | 0.458 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -83.4 | -33.1 | 176.2 | -67.6 | 83.9 | 0 | 0 | 0 | 112.7 | V69 S70 I71 F75 W76 Y125 | V69-H73 HydrophobicContact CG1-CB 3.47Å; V69-H73 VanDerWaalsContact CG1-CB 3.47Å; S70-H73 PolarHBondContact O-N 3.34Å; S70-H73 PolarHBondContact OG-ND1 3Å; I71-H73 PolarHBondContact O-N 3.26Å; H73-F75 PolarHBondContact O-N 2.96Å; H73-W76 WeakPolarHBondContact O-CB 3.16Å; H73-W76 PolarHBondContact O-N 3.47Å; H73-W76 VanDerWaalsContact O-N 3.14Å; H73-Y125 PolarHBondContact O-OH 3.3Å |
| 74 | L | 88.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -24 | 177.7 | -60.3 | 177.6 | 0 | 0 | 0 | 112.4 | Y60 L63 E64 L67 S70 I71 W76 L77 Y125 | Y60-L74 HydrophobicContact CD1-CB 3.61Å; Y60-L74 HydrophobicContact CD1-CD1 4.31Å; Y60-L74 HydrophobicContact CE1-CB 3.87Å; Y60-L74 VanDerWaalsContact CE1-O 3.28Å; Y60-L74 WeakPolarHBondContact CE1-O 3.42Å; Y60-L74 HydrophobicContact CG-CB 4.22Å; Y60-L74 WeakPolarHBondContact O-CD1 3.43Å; L63-L74 HydrophobicContact CB-CD1 3.9Å; L63-L74 HydrophobicContact CB-CD2 4.16Å; E64-L74 HydrophobicContact CB-CD1 3.89Å; L67-L74 HydrophobicContact CD1-CD2 4.09Å; S70-L74 PolarHBondContact O-N 3.03Å; I71-L74 PolarHBondContact O-N 3.32Å; L74-W76 PolarHBondContact O-N 3.16Å; L74-L77 HydrophobicContact CB-CD1 4.49Å; L74-L77 HydrophobicContact CD2-CD1 3.89Å; L74-L77 VanDerWaalsContact O-CB 3.26Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 2.93Å; L74-Y125 HydrophobicContact CD2-CD2 4.44Å; L74-Y125 HydrophobicContact CD2-CE2 4.48Å |
| 75 | F | 87.7 | Confident | 88.9 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.9 | -37.1 | 171.7 | -78.7 | -64.2 | 0 | 0 | 0 | 114 | Y60 I71 H73 L77 M78 T79 G675 H676 P799 | Y60-F75 HydrophobicContact CD2-CE1 4.17Å; Y60-F75 HydrophobicContact CD2-CZ 4.32Å; Y60-F75 AromaticContact CE2-CD1 3.65Å; Y60-F75 HydrophobicContact CE2-CD1 3.65Å; Y60-F75 AromaticContact CE2-CE1 3.36Å; Y60-F75 HydrophobicContact CE2-CE1 3.36Å; Y60-F75 HydrophobicContact CE2-CG 4.4Å; Y60-F75 AromaticContact CE2-CZ 3.94Å; Y60-F75 HydrophobicContact CE2-CZ 3.94Å; Y60-F75 AromaticContact CZ-CD1 3.95Å; I71-F75 HydrophobicContact CG2-CD2 4.36Å; I71-F75 HydrophobicContact CG2-CE2 3.6Å; I71-F75 HydrophobicContact CG2-CZ 3.93Å; I71-F75 WeakPolarHBondContact O-CD2 3.06Å; I71-F75 PolarHBondContact O-N 3.45Å; H73-F75 PolarHBondContact O-N 2.96Å; F75-L77 PolarHBondContact O-N 3.27Å; F75-L77 VanDerWaalsContact O-N 3.11Å; F75-M78 PolarHBondContact O-N 3.46Å; F75-T79 PolarHBondContact O-N 2.99Å; F75-T79 PolarHBondContact O-OG1 3.08Å; F75-G675 VanDerWaalsContact CE1-C 3.46Å; F75-G675 VanDerWaalsContact CE1-CA 3.41Å; F75-G675 VanDerWaalsContact CE1-O 3.31Å; F75-G675 WeakPolarHBondContact CE1-O 3.39Å; F75-H676 AromaticContact CD2-CE1 3.86Å; F75-H676 AromaticContact CE1-CE1 3.99Å; F75-H676 AromaticContact CE1-NE2 3.78Å; F75-H676 AromaticContact CE2-CE1 3.06Å; F75-H676 WeakPolarHBondContact CE2-CE1 3.29Å; F75-H676 AromaticContact CE2-ND1 3.73Å; F75-H676 AromaticContact CE2-NE2 3.55Å; F75-H676 AromaticContact CZ-CD2 3.87Å; F75-H676 AromaticContact CZ-CE1 3.16Å; F75-H676 WeakPolarHBondContact CZ-CE1 3.14Å; F75-H676 AromaticContact CZ-CG 3.89Å; F75-H676 AromaticContact CZ-ND1 3.46Å; F75-H676 WeakPolarHBondContact CZ-ND1 3.48Å; F75-H676 AromaticContact CZ-NE2 3.43Å; F75-H676 WeakPolarHBondContact CZ-NE2 3.46Å; F75-P799 HydrophobicContact CB-CG 4.27Å |
| 76 | W | 89.6 | Confident | 88.9 | Confident | 104 Ų | 104 | 29.2 Ų | 29.2 | 39% | 0.394 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.5 | -21.9 | 177.8 | -71 | 102.1 | 0 | 0 | 0 | 113.2 | H73 L74 G80 F129 L795 P799 | H73-W76 WeakPolarHBondContact O-CB 3.16Å; H73-W76 PolarHBondContact O-N 3.47Å; H73-W76 VanDerWaalsContact O-N 3.14Å; L74-W76 PolarHBondContact O-N 3.16Å; W76-G80 VanDerWaalsContact O-CA 3.25Å; W76-G80 WeakPolarHBondContact O-CA 3.31Å; W76-G80 PolarHBondContact O-N 2.74Å; W76-F129 HydrophobicContact CB-CE2 4.25Å; W76-L795 HydrophobicContact CE3-CD1 3.82Å; W76-L795 HydrophobicContact CZ3-CD1 3.64Å; W76-L795 HydrophobicContact CZ3-CG 3.98Å; W76-P799 HydrophobicContact CD2-CB 4.26Å; W76-P799 HydrophobicContact CD2-CG 3.72Å; W76-P799 HydrophobicContact CE3-CG 4.09Å; W76-P799 HydrophobicContact CG-CG 4.16Å; W76-P799 HydrophobicContact CH2-CB 4.41Å; W76-P799 HydrophobicContact CH2-CG 4.27Å; W76-P799 HydrophobicContact CZ2-CB 3.72Å; W76-P799 HydrophobicContact CZ2-CG 3.91Å; W76-P799 HydrophobicContact CZ3-CG 4.35Å |
| 77 | L | 91.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.3 | -46.7 | 177.6 | -63.1 | 172.2 | 0 | 0 | 0 | 112.2 | L63 L74 F75 Q81 Y125 F128 F129 Y132 T133 | L63-L77 HydrophobicContact CD1-CD1 4.13Å; L74-L77 HydrophobicContact CB-CD1 4.49Å; L74-L77 HydrophobicContact CD2-CD1 3.89Å; L74-L77 VanDerWaalsContact O-CB 3.26Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 2.93Å; F75-L77 PolarHBondContact O-N 3.27Å; F75-L77 VanDerWaalsContact O-N 3.11Å; L77-Q81 WeakPolarHBondContact O-CB 3.48Å; L77-Q81 PolarHBondContact O-N 3.13Å; L77-Y125 HydrophobicContact CD2-CE2 4.4Å; L77-Y125 HydrophobicContact CG-CE2 4.4Å; L77-F128 HydrophobicContact CD1-CD1 3.83Å; L77-F128 HydrophobicContact CD1-CE1 3.93Å; L77-F128 HydrophobicContact CD2-CD1 3.81Å; L77-F128 HydrophobicContact CD2-CE1 4.36Å; L77-F128 HydrophobicContact CG-CD1 4.42Å; L77-F129 HydrophobicContact CD2-CB 3.85Å; L77-F129 HydrophobicContact CD2-CD2 3.8Å; L77-F129 HydrophobicContact CD2-CG 4.26Å; L77-Y132 HydrophobicContact CB-CD1 4.47Å; L77-T133 VanDerWaalsContact CA-OG1 3.32Å; L77-T133 WeakPolarHBondContact CA-OG1 3.11Å; L77-T133 WeakPolarHBondContact CD2-OG1 3.37Å; L77-T133 WeakPolarHBondContact O-CG2 3.3Å; L77-T133 PolarHBondContact O-OG1 3.39Å |
| 78 | M | 86.4 | Confident | 88.5 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -80.6 | -49.6 | -179.5 | -176.3 | -174.3 | 72 | 0 | 0 | 110.8 | L53 Y60 F75 G80 Q81 F82 Y794 | L53-M78 WeakPolarHBondContact O-CG 3.33Å; Y60-M78 WeakPolarHBondContact OH-CB 3.49Å; F75-M78 PolarHBondContact O-N 3.46Å; M78-G80 VanDerWaalsContact C-N 3.31Å; M78-G80 PolarHBondContact O-N 3.36Å; M78-Q81 PolarHBondContact O-N 3.02Å; M78-Q81 VanDerWaalsContact O-N 3.15Å; M78-F82 PolarHBondContact O-N 3.05Å; M78-F82 VanDerWaalsContact O-N 3.08Å; M78-Y794 HydrophobicContact CE-CE1 4.39Å |
| 79 | T | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69 | -33.5 | -177.2 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | F75 A83 S671 Y794 | F75-T79 PolarHBondContact O-N 2.99Å; F75-T79 PolarHBondContact O-OG1 3.08Å; T79-A83 WeakPolarHBondContact O-CB 3.37Å; T79-A83 PolarHBondContact O-N 2.85Å; T79-S671 WeakPolarHBondContact CG2-OG 3.42Å; T79-Y794 WeakPolarHBondContact CB-O 3.49Å; T79-Y794 HydrophobicContact CG2-CD1 4.17Å; T79-Y794 HydrophobicContact CG2-CE1 4.15Å; T79-Y794 WeakPolarHBondContact CG2-O 3.35Å |
| 80 | G | 92.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | W76 M78 A83 I84 | W76-G80 VanDerWaalsContact O-CA 3.25Å; W76-G80 WeakPolarHBondContact O-CA 3.31Å; W76-G80 PolarHBondContact O-N 2.74Å; M78-G80 VanDerWaalsContact C-N 3.31Å; M78-G80 PolarHBondContact O-N 3.36Å; G80-A83 PolarHBondContact O-N 2.97Å; G80-I84 WeakPolarHBondContact O-CB 3.35Å; G80-I84 WeakPolarHBondContact O-CD1 3.37Å; G80-I84 WeakPolarHBondContact O-CG1 3.31Å; G80-I84 PolarHBondContact O-N 3.37Å |
| 81 | Q | 93.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.7 | -44 | -179.5 | -168.2 | -175.9 | 2.7 | 0 | 0 | 110.2 | L53 L77 M78 A83 I84 T85 T133 | L53-Q81 HydrophobicContact CD2-CB 4.15Å; L53-Q81 HydrophobicContact CD2-CG 3.84Å; L77-Q81 WeakPolarHBondContact O-CB 3.48Å; L77-Q81 PolarHBondContact O-N 3.13Å; M78-Q81 PolarHBondContact O-N 3.02Å; M78-Q81 VanDerWaalsContact O-N 3.15Å; Q81-A83 VanDerWaalsContact C-N 3.33Å; Q81-I84 PolarHBondContact O-N 2.94Å; Q81-T85 VanDerWaalsContact O-CB 3.29Å; Q81-T85 WeakPolarHBondContact O-CB 3.4Å; Q81-T85 PolarHBondContact O-N 3.48Å; Q81-T85 PolarHBondContact O-OG1 3.31Å; Q81-T133 HydrophobicContact CB-CG2 4.38Å; Q81-T133 VanDerWaalsContact N-CG2 3.33Å |
| 82 | F | 91.7 | Very high | 87.9 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 171.6 | -167 | -73.1 | 0 | 0 | 0 | 110.9 | Y50 L53 M78 I84 T85 C86 Y667 Y794 | Y50-F82 HydrophobicContact CD1-CE2 4.21Å; Y50-F82 AromaticContact CE1-CE2 3.95Å; Y50-F82 HydrophobicContact CE1-CE2 3.95Å; Y50-F82 HydrophobicContact CE1-CZ 4.11Å; L53-F82 HydrophobicContact CB-CD2 4.05Å; L53-F82 HydrophobicContact CD1-CD2 3.83Å; L53-F82 HydrophobicContact CD1-CE2 4.25Å; L53-F82 HydrophobicContact CD1-CG 4.49Å; L53-F82 HydrophobicContact CD2-CB 4.31Å; L53-F82 HydrophobicContact CG-CD2 4.39Å; M78-F82 PolarHBondContact O-N 3.05Å; M78-F82 VanDerWaalsContact O-N 3.08Å; F82-I84 PolarHBondContact O-N 3.23Å; F82-T85 WeakPolarHBondContact O-CB 3.36Å; F82-T85 PolarHBondContact O-N 3.03Å; F82-C86 HydrophobicContact CE1-CB 4.43Å; F82-C86 PolarHBondContact O-N 3.3Å; F82-C86 VanDerWaalsContact O-N 3.11Å; F82-Y667 HydrophobicContact CE1-CD1 4.16Å; F82-Y667 HydrophobicContact CE1-CE1 4.11Å; F82-Y667 HydrophobicContact CZ-CD1 4.18Å; F82-Y667 AromaticContact CZ-CE1 3.79Å; F82-Y667 HydrophobicContact CZ-CE1 3.79Å; F82-Y794 HydrophobicContact CB-CD1 3.54Å; F82-Y794 HydrophobicContact CB-CE1 3.77Å; F82-Y794 HydrophobicContact CB-CG 4.38Å; F82-Y794 AromaticContact CD1-CD1 3.81Å; F82-Y794 HydrophobicContact CD1-CD1 3.81Å; F82-Y794 AromaticContact CD1-CG 3.77Å; F82-Y794 HydrophobicContact CD1-CG 3.77Å; F82-Y794 AromaticContact CD2-CD1 3.95Å; F82-Y794 HydrophobicContact CD2-CD1 3.95Å; F82-Y794 HydrophobicContact CD2-CD2 4.46Å; F82-Y794 AromaticContact CD2-CE1 3.87Å; F82-Y794 HydrophobicContact CD2-CE1 3.87Å; F82-Y794 HydrophobicContact CD2-CE2 4.4Å; F82-Y794 HydrophobicContact CD2-CG 4.24Å; F82-Y794 HydrophobicContact CE1-CG 4.14Å; F82-Y794 HydrophobicContact CE2-CD2 4.47Å; F82-Y794 HydrophobicContact CE2-CE2 4.49Å; F82-Y794 AromaticContact CG-CD1 3.48Å; F82-Y794 HydrophobicContact CG-CD1 3.48Å; F82-Y794 VanDerWaalsContact CG-CD1 3.48Å; F82-Y794 AromaticContact CG-CE1 3.81Å; F82-Y794 HydrophobicContact CG-CE1 3.81Å; F82-Y794 AromaticContact CG-CG 3.86Å; F82-Y794 HydrophobicContact CG-CG 3.86Å |
| 83 | A | 92.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T79 G80 Q81 C86 C87 L795 | T79-A83 WeakPolarHBondContact O-CB 3.37Å; T79-A83 PolarHBondContact O-N 2.85Å; G80-A83 PolarHBondContact O-N 2.97Å; Q81-A83 VanDerWaalsContact C-N 3.33Å; A83-C86 PolarHBondContact O-N 3.36Å; A83-C87 WeakPolarHBondContact O-CA 3.22Å; A83-C87 WeakPolarHBondContact O-CB 3.43Å; A83-C87 PolarHBondContact O-N 3.25Å; A83-C87 PolarHBondContact O-SG 3.48Å; A83-L795 HydrophobicContact CB-CB 3.85Å; A83-L795 HydrophobicContact CB-CD1 3.79Å; A83-L795 HydrophobicContact CB-CD2 3.93Å; A83-L795 HydrophobicContact CB-CG 4.06Å |
| 84 | I | 93.4 | Very high | 87.6 | Confident | 29 Ų | 29 | 29 Ų | 29 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.5 | -40.3 | -178.7 | -68.1 | 167.2 | 0 | 0 | 0 | 110.9 | G80 Q81 F82 C86 L88 Y92 T133 L134 I138 | G80-I84 WeakPolarHBondContact O-CB 3.35Å; G80-I84 WeakPolarHBondContact O-CD1 3.37Å; G80-I84 WeakPolarHBondContact O-CG1 3.31Å; G80-I84 PolarHBondContact O-N 3.37Å; Q81-I84 PolarHBondContact O-N 2.94Å; F82-I84 PolarHBondContact O-N 3.23Å; I84-C86 VanDerWaalsContact C-N 3.26Å; I84-C86 PolarHBondContact O-N 3.39Å; I84-L88 HydrophobicContact CG2-CD1 4.05Å; I84-Y92 PolarHBondContact O-OH 2.91Å; I84-T133 HydrophobicContact CD1-CG2 4.29Å; I84-L134 HydrophobicContact CD1-CB 4.44Å; I84-L134 HydrophobicContact CD1-CD2 3.64Å; I84-L134 HydrophobicContact CD1-CG 3.99Å; I84-I138 HydrophobicContact CG2-CG1 3.69Å |
| 85 | T | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.1 | -39.8 | 174.6 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | L53 Q81 F82 Y92 G137 M140 G141 V144 | L53-T85 HydrophobicContact CD1-CG2 4.27Å; Q81-T85 VanDerWaalsContact O-CB 3.29Å; Q81-T85 WeakPolarHBondContact O-CB 3.4Å; Q81-T85 PolarHBondContact O-N 3.48Å; Q81-T85 PolarHBondContact O-OG1 3.31Å; F82-T85 WeakPolarHBondContact O-CB 3.36Å; F82-T85 PolarHBondContact O-N 3.03Å; T85-Y92 WeakPolarHBondContact O-CE2 3.47Å; T85-G137 WeakPolarHBondContact CA-O 3.45Å; T85-G137 PolarHBondContact OG1-O 3.47Å; T85-M140 HydrophobicContact CG2-CB 4.24Å; T85-M140 HydrophobicContact CG2-CG 3.84Å; T85-G141 VanDerWaalsContact O-CA 3.25Å; T85-G141 WeakPolarHBondContact O-CA 3.19Å; T85-V144 HydrophobicContact CG2-CG1 3.76Å |
| 86 | C | 88.7 | Confident | 87.1 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -107.9 | -35.6 | -170.7 | -72.4 | 0 | 0 | 0 | 0 | 114.8 | F82 A83 I84 L88 A89 L787 A791 | F82-C86 HydrophobicContact CE1-CB 4.43Å; F82-C86 PolarHBondContact O-N 3.3Å; F82-C86 VanDerWaalsContact O-N 3.11Å; A83-C86 PolarHBondContact O-N 3.36Å; I84-C86 VanDerWaalsContact C-N 3.26Å; I84-C86 PolarHBondContact O-N 3.39Å; C86-L88 VanDerWaalsContact C-N 3.29Å; C86-L88 PolarHBondContact O-N 2.91Å; C86-A89 WeakPolarHBondContact O-CB 3.2Å; C86-A89 PolarHBondContact O-N 2.92Å; C86-L787 HydrophobicContact CB-CB 4.45Å; C86-A791 HydrophobicContact CB-CB 3.57Å |
| 87 | C | 86.2 | Confident | 86.4 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -34.6 | 176.3 | -74.3 | 0 | 0 | 0 | 0 | 112.6 | A83 A89 P90 F788 A791 | A83-C87 WeakPolarHBondContact O-CA 3.22Å; A83-C87 WeakPolarHBondContact O-CB 3.43Å; A83-C87 PolarHBondContact O-N 3.25Å; A83-C87 PolarHBondContact O-SG 3.48Å; C87-A89 VanDerWaalsContact C-N 3.25Å; C87-A89 PolarHBondContact O-N 3.04Å; C87-P90 WeakPolarHBondContact O-CD 3.34Å; C87-F788 HydrophobicContact CB-CD2 3.93Å; C87-F788 HydrophobicContact CB-CE2 4.08Å; C87-F788 WeakPolarHBondContact O-CD2 3.26Å; C87-A791 HydrophobicContact CB-CB 4.41Å; C87-A791 WeakPolarHBondContact SG-CB 3.24Å |
| 88 | L | 86.3 | Confident | 85.9 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 31% | 0.314 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.2 | -178 | -58.4 | -177.1 | 0 | 0 | 0 | 112.8 | I84 C86 P90 I91 Y92 I138 | I84-L88 HydrophobicContact CG2-CD1 4.05Å; C86-L88 VanDerWaalsContact C-N 3.29Å; C86-L88 PolarHBondContact O-N 2.91Å; L88-P90 VanDerWaalsContact C-CD 3.42Å; L88-I91 HydrophobicContact CD2-CD1 4.02Å; L88-I91 WeakPolarHBondContact O-CA 3.28Å; L88-I91 WeakPolarHBondContact O-CB 3.35Å; L88-I91 PolarHBondContact O-N 3.21Å; L88-Y92 HydrophobicContact CB-CD2 4.28Å; L88-Y92 HydrophobicContact CB-CE1 4.03Å; L88-Y92 HydrophobicContact CB-CE2 3.51Å; L88-Y92 WeakPolarHBondContact CB-OH 3.11Å; L88-Y92 WeakPolarHBondContact CD1-OH 3.37Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 3.26Å; L88-I138 HydrophobicContact CD1-CG1 4.38Å |
| 89 | A | 80.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -50.6 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C86 C87 I91 Y92 N93 V145 L787 | C86-A89 WeakPolarHBondContact O-CB 3.2Å; C86-A89 PolarHBondContact O-N 2.92Å; C87-A89 VanDerWaalsContact C-N 3.25Å; C87-A89 PolarHBondContact O-N 3.04Å; A89-I91 VanDerWaalsContact C-N 3.29Å; A89-I91 PolarHBondContact O-N 3.17Å; A89-Y92 PolarHBondContact O-N 2.72Å; A89-N93 PolarHBondContact O-N 3.11Å; A89-V145 HydrophobicContact CB-CG1 4.29Å; A89-V145 HydrophobicContact CB-CG2 3.61Å; A89-L787 HydrophobicContact CB-CD1 4.34Å |
| 90 | P | 77 | Confident | 85.4 | Confident | 67 Ų | 67 | 43.8 Ų | 43.8 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -34.8 | 173.9 | -22.7 | 34 | 0 | 0 | 0 | 113.3 | C87 L88 R94 | C87-P90 WeakPolarHBondContact O-CD 3.34Å; L88-P90 VanDerWaalsContact C-CD 3.42Å; P90-R94 PolarHBondContact O-N 3.42Å |
| 91 | I | 85.9 | Confident | 84.9 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 55% | 0.549 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -73.1 | -42.1 | 177.9 | -52.7 | -174.6 | 0 | 0 | 0 | 109.8 | L88 A89 R94 L95 | L88-I91 HydrophobicContact CD2-CD1 4.02Å; L88-I91 WeakPolarHBondContact O-CA 3.28Å; L88-I91 WeakPolarHBondContact O-CB 3.35Å; L88-I91 PolarHBondContact O-N 3.21Å; A89-I91 VanDerWaalsContact C-N 3.29Å; A89-I91 PolarHBondContact O-N 3.17Å; I91-R94 PolarHBondContact O-N 2.89Å; I91-L95 WeakPolarHBondContact O-CB 3.49Å; I91-L95 PolarHBondContact O-N 2.91Å |
| 92 | Y | 86.8 | Confident | 84.5 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 176.6 | -56.3 | -35.4 | 0 | 0 | 0 | 112.3 | I84 T85 L88 A89 R94 L95 L96 I138 G141 I142 V145 | I84-Y92 PolarHBondContact O-OH 2.91Å; T85-Y92 WeakPolarHBondContact O-CE2 3.47Å; L88-Y92 HydrophobicContact CB-CD2 4.28Å; L88-Y92 HydrophobicContact CB-CE1 4.03Å; L88-Y92 HydrophobicContact CB-CE2 3.51Å; L88-Y92 WeakPolarHBondContact CB-OH 3.11Å; L88-Y92 WeakPolarHBondContact CD1-OH 3.37Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 3.26Å; A89-Y92 PolarHBondContact O-N 2.72Å; Y92-R94 PolarHBondContact O-N 3.47Å; Y92-L95 WeakPolarHBondContact O-CB 3.43Å; Y92-L95 PolarHBondContact O-N 3.46Å; Y92-L96 WeakPolarHBondContact O-CB 3.3Å; Y92-L96 WeakPolarHBondContact O-CD1 3.43Å; Y92-L96 WeakPolarHBondContact O-CG 3.42Å; Y92-L96 PolarHBondContact O-N 3.45Å; Y92-I138 HydrophobicContact CE1-CG2 4.2Å; Y92-I138 WeakPolarHBondContact OH-CA 3.37Å; Y92-G141 WeakPolarHBondContact CD2-O 3.37Å; Y92-I142 HydrophobicContact CD1-CB 4.41Å; Y92-I142 HydrophobicContact CD1-CD1 4.29Å; Y92-I142 HydrophobicContact CD1-CG1 3.32Å; Y92-I142 HydrophobicContact CE1-CD1 4.34Å; Y92-I142 HydrophobicContact CE1-CG1 3.65Å; Y92-I142 HydrophobicContact CG-CG1 3.92Å; Y92-V145 HydrophobicContact CD2-CG2 4.11Å |
| 93 | N | 78.6 | Confident | 84.3 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.3 | -50.9 | 173.8 | -86.5 | -36.8 | 0 | 0 | 0 | 111.5 | A89 L95 L96 D97 V145 S784 | A89-N93 PolarHBondContact O-N 3.11Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 3.42Å; N93-L96 CarbonylContact O-C 3.6Å; N93-L96 PolarHBondContact O-N 3.35Å; N93-L96 VanDerWaalsContact O-N 3.09Å; N93-D97 VanDerWaalsContact O-CG 3.3Å; N93-D97 PolarHBondContact O-N 2.85Å; N93-V145 WeakPolarHBondContact ND2-CG1 3.01Å; N93-V145 VanDerWaalsContact OD1-CG1 3.29Å; N93-V145 WeakPolarHBondContact OD1-CG1 3.37Å; N93-S784 PolarHBondContact ND2-OG 2.68Å; N93-S784 VanDerWaalsContact ND2-OG 3.14Å |
| 94 | R | 79.3 | Confident | 84.2 | Confident | 148 Ų | 148 | 52.4 Ų | 52.4 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.7 | -35.5 | 178.3 | -170.5 | 176.6 | -175.1 | 173.2 | 4.3 | 113.5 | P90 I91 Y92 D97 | P90-R94 PolarHBondContact O-N 3.42Å; I91-R94 PolarHBondContact O-N 2.89Å; Y92-R94 PolarHBondContact O-N 3.47Å; R94-D97 WeakPolarHBondContact CA-OD2 3.36Å; R94-D97 PolarHBondContact O-N 2.97Å |
| 95 | L | 83.3 | Confident | 83.9 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 174 | 177 | 63.3 | 0 | 0 | 0 | 111.1 | I91 Y92 N93 D97 V98 V99 I142 | I91-L95 WeakPolarHBondContact O-CB 3.49Å; I91-L95 PolarHBondContact O-N 2.91Å; Y92-L95 WeakPolarHBondContact O-CB 3.43Å; Y92-L95 PolarHBondContact O-N 3.46Å; N93-L95 VanDerWaalsContact C-N 3.32Å; N93-L95 PolarHBondContact O-N 3.42Å; L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 3.21Å; L95-V98 PolarHBondContact O-N 3.44Å; L95-V99 HydrophobicContact CD1-CG2 3.87Å; L95-V99 HydrophobicContact CG-CG2 4.44Å; L95-V99 PolarHBondContact O-N 3.24Å; L95-I142 HydrophobicContact CD2-CD1 3.88Å; L95-I142 HydrophobicContact CD2-CG1 4.22Å |
| 96 | L | 81.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74 | -12.2 | -178.5 | -64.8 | 163.8 | 0 | 0 | 0 | 113.3 | Y92 N93 V99 A104 I142 R146 | Y92-L96 WeakPolarHBondContact O-CB 3.3Å; Y92-L96 WeakPolarHBondContact O-CD1 3.43Å; Y92-L96 WeakPolarHBondContact O-CG 3.42Å; Y92-L96 PolarHBondContact O-N 3.45Å; N93-L96 CarbonylContact O-C 3.6Å; N93-L96 PolarHBondContact O-N 3.35Å; N93-L96 VanDerWaalsContact O-N 3.09Å; L96-V99 CarbonylContact C-O 3.56Å; L96-A104 HydrophobicContact CD2-CB 3.29Å; L96-I142 HydrophobicContact CD2-CG2 4.13Å; L96-R146 VanDerWaalsContact C-NH2 3.27Å; L96-R146 HydrophobicContact CD1-CG 3.93Å; L96-R146 PolarHBondContact O-NH1 2.97Å; L96-R146 PolarHBondContact O-NH2 3.46Å |
| 97 | D | 75.9 | Confident | 84.2 | Confident | 93 Ų | 93 | 58.8 Ų | 58.8 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -75.7 | -25.8 | 169.2 | -62.5 | -35.3 | 0 | 0 | 0 | 112.6 | N93 R94 L95 R146 | N93-D97 VanDerWaalsContact O-CG 3.3Å; N93-D97 PolarHBondContact O-N 2.85Å; R94-D97 WeakPolarHBondContact CA-OD2 3.36Å; R94-D97 PolarHBondContact O-N 2.97Å; L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 3.21Å; D97-R146 IonicContact OD1-CZ 3.3Å; D97-R146 IonicContact OD1-NH2 3.52Å; D97-R146 PolarHBondContact OD1-NH2 3Å |
| 98 | V | 80.7 | Confident | 84.5 | Confident | 127 Ų | 127 | 57.7 Ų | 57.7 | 77% | 0.77 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -101.7 | -32.4 | -178.3 | -172 | 0 | 0 | 0 | 0 | 111.7 | L95 | L95-V98 PolarHBondContact O-N 3.44Å |
| 99 | V | 83.6 | Confident | 84.9 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -102.3 | 132.6 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | L95 L96 T101 A104 | L95-V99 HydrophobicContact CD1-CG2 3.87Å; L95-V99 HydrophobicContact CG-CG2 4.44Å; L95-V99 PolarHBondContact O-N 3.24Å; L96-V99 CarbonylContact C-O 3.56Å; V99-T101 PolarHBondContact O-N 2.6Å; V99-A104 HydrophobicContact CB-CB 4.43Å; V99-A104 HydrophobicContact CG1-CB 3.91Å |
| 100 | A | 83.1 | Confident | 85.6 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | trans | -55.5 | 123.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K102 S103 A104 | A100-K102 PolarHBondContact O-N 3.05Å; A100-S103 PolarHBondContact O-N 3.31Å; A100-S103 PolarHBondContact O-OG 3.21Å; A100-A104 PolarHBondContact O-N 3.26Å | ||
| 101 | T | 82.5 | Confident | 86.5 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -46.4 | -45.3 | -172.1 | -48.2 | 0 | 0 | 0 | 0 | 112.8 | V99 S103 A104 T105 R146 | V99-T101 PolarHBondContact O-N 2.6Å; T101-S103 PolarHBondContact O-N 2.99Å; T101-A104 PolarHBondContact O-N 3.46Å; T101-T105 HydrophobicContact CG2-CG2 4.31Å; T101-T105 WeakPolarHBondContact O-CG2 3.21Å; T101-T105 PolarHBondContact O-N 2.82Å; T101-T105 PolarHBondContact O-OG1 3.21Å; T101-R146 PolarHBondContact OG1-NH1 3.31Å; T101-R146 VanDerWaalsContact OG1-NH1 3.09Å |
| 102 | K | 85.4 | Confident | 87 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | -178.7 | -62.1 | -179.9 | -175.5 | 172.6 | 0 | 113.9 | A100 T105 I106 L209 | A100-K102 PolarHBondContact O-N 3.05Å; K102-T105 PolarHBondContact O-OG1 2.99Å; K102-I106 WeakPolarHBondContact O-CD1 3.34Å; K102-I106 WeakPolarHBondContact O-CG1 3.41Å; K102-I106 PolarHBondContact O-N 3.39Å; K102-L209 HydrophobicContact CD-CD2 4.39Å |
| 103 | S | 86.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 53.2 Ų | 53.2 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.7 | -36.2 | -179.4 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | A100 T101 I106 V107 | A100-S103 PolarHBondContact O-N 3.31Å; A100-S103 PolarHBondContact O-OG 3.21Å; T101-S103 PolarHBondContact O-N 2.99Å; S103-I106 PolarHBondContact O-N 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.4Å; S103-V107 PolarHBondContact O-N 3.42Å; S103-V107 VanDerWaalsContact O-N 3.09Å |
| 104 | A | 89.9 | Confident | 88.3 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L96 V99 A100 T101 I106 V107 A108 I142 | L96-A104 HydrophobicContact CD2-CB 3.29Å; V99-A104 HydrophobicContact CB-CB 4.43Å; V99-A104 HydrophobicContact CG1-CB 3.91Å; A100-A104 PolarHBondContact O-N 3.26Å; T101-A104 PolarHBondContact O-N 3.46Å; A104-I106 PolarHBondContact O-N 3.05Å; A104-V107 PolarHBondContact O-N 3.43Å; A104-A108 WeakPolarHBondContact O-CB 3.21Å; A104-A108 PolarHBondContact O-N 3.18Å; A104-I142 HydrophobicContact CB-CG2 4.19Å |
| 105 | T | 88.7 | Confident | 89.1 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | T101 K102 A108 V109 | T101-T105 HydrophobicContact CG2-CG2 4.31Å; T101-T105 WeakPolarHBondContact O-CG2 3.21Å; T101-T105 PolarHBondContact O-N 2.82Å; T101-T105 PolarHBondContact O-OG1 3.21Å; K102-T105 PolarHBondContact O-OG1 2.99Å; T105-A108 PolarHBondContact O-N 3.09Å; T105-V109 WeakPolarHBondContact O-CB 3.38Å; T105-V109 VanDerWaalsContact O-CG2 3.29Å; T105-V109 WeakPolarHBondContact O-CG2 3.48Å; T105-V109 PolarHBondContact O-N 3.29Å |
| 106 | I | 92 | Very high | 89.6 | Confident | 56 Ų | 56 | 46.7 Ų | 46.7 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.8 | -49.5 | 177.9 | -68.3 | 165.5 | 0 | 0 | 0 | 111.2 | K102 S103 A104 A108 M110 I205 L209 | K102-I106 WeakPolarHBondContact O-CD1 3.34Å; K102-I106 WeakPolarHBondContact O-CG1 3.41Å; K102-I106 PolarHBondContact O-N 3.39Å; S103-I106 PolarHBondContact O-N 3.29Å; A104-I106 PolarHBondContact O-N 3.05Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 2.98Å; I106-M110 WeakPolarHBondContact O-CB 3.49Å; I106-M110 VanDerWaalsContact O-CG 3.3Å; I106-M110 WeakPolarHBondContact O-CG 3.43Å; I106-M110 PolarHBondContact O-N 2.9Å; I106-I205 HydrophobicContact CG1-CG2 4.17Å; I106-L209 HydrophobicContact CD1-CD2 4.11Å |
| 107 | V | 93.5 | Very high | 90.4 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 61% | 0.606 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 178.2 | 171 | 0 | 0 | 0 | 0 | 110.7 | S103 A104 M111 | S103-V107 WeakPolarHBondContact O-CG2 3.4Å; S103-V107 PolarHBondContact O-N 3.42Å; S103-V107 VanDerWaalsContact O-N 3.09Å; A104-V107 PolarHBondContact O-N 3.43Å; V107-M111 VanDerWaalsContact O-CB 3.31Å; V107-M111 WeakPolarHBondContact O-CB 3.44Å; V107-M111 PolarHBondContact O-N 3.4Å |
| 108 | A | 93.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.1 | -42.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A104 T105 I106 M111 T112 G139 I142 | A104-A108 WeakPolarHBondContact O-CB 3.21Å; A104-A108 PolarHBondContact O-N 3.18Å; T105-A108 PolarHBondContact O-N 3.09Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 2.98Å; A108-M111 PolarHBondContact O-N 3.31Å; A108-T112 PolarHBondContact O-N 3Å; A108-T112 PolarHBondContact O-OG1 3.1Å; A108-G139 VanDerWaalsContact CB-O 3.31Å; A108-G139 WeakPolarHBondContact CB-O 3.46Å; A108-G139 WeakPolarHBondContact O-CA 3.4Å; A108-I142 HydrophobicContact CB-CB 3.69Å; A108-I142 HydrophobicContact CB-CD1 4.47Å; A108-I142 HydrophobicContact CB-CG2 3.75Å |
| 109 | V | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | T105 M111 T112 S113 L202 V204 I205 | T105-V109 WeakPolarHBondContact O-CB 3.38Å; T105-V109 VanDerWaalsContact O-CG2 3.29Å; T105-V109 WeakPolarHBondContact O-CG2 3.48Å; T105-V109 PolarHBondContact O-N 3.29Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-T112 WeakPolarHBondContact O-CB 3.44Å; V109-T112 PolarHBondContact O-N 3.33Å; V109-S113 PolarHBondContact O-N 2.94Å; V109-S113 PolarHBondContact O-OG 3.38Å; V109-L202 HydrophobicContact CG1-CD2 4.44Å; V109-V204 HydrophobicContact CG1-CB 4.27Å; V109-V204 HydrophobicContact CG2-CB 3.85Å; V109-V204 HydrophobicContact CG2-CG1 3.57Å; V109-I205 HydrophobicContact CB-CG1 4.16Å; V109-I205 HydrophobicContact CG1-CD1 4.15Å; V109-I205 HydrophobicContact CG1-CG1 3.87Å |
| 110 | M | 95.7 | Very high | 92.5 | Very high | 85 Ų | 85 | 37.8 Ų | 37.8 | 42% | 0.419 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.9 | -75.8 | -69.1 | -170.5 | 0 | 0 | 111.9 | I106 T112 S113 I114 L202 I205 | I106-M110 WeakPolarHBondContact O-CB 3.49Å; I106-M110 VanDerWaalsContact O-CG 3.3Å; I106-M110 WeakPolarHBondContact O-CG 3.43Å; I106-M110 PolarHBondContact O-N 2.9Å; M110-T112 VanDerWaalsContact C-N 3.34Å; M110-T112 PolarHBondContact O-N 3Å; M110-S113 PolarHBondContact O-N 2.92Å; M110-I114 WeakPolarHBondContact O-CB 2.99Å; M110-I114 WeakPolarHBondContact O-CD1 3.42Å; M110-I114 VanDerWaalsContact O-CG1 3.23Å; M110-I114 WeakPolarHBondContact O-CG1 3.4Å; M110-I114 PolarHBondContact O-N 2.93Å; M110-L202 HydrophobicContact SD-CD2 3.9Å; M110-I205 HydrophobicContact CE-CD1 3.86Å; M110-I205 HydrophobicContact CG-CD1 4.34Å; M110-I205 HydrophobicContact SD-CD1 4.43Å |
| 111 | M | 95.6 | Very high | 93 | Very high | 59 Ų | 59 | 41.9 Ų | 41.9 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.9 | -46 | 177.5 | -166.7 | 177 | 89.2 | 0 | 0 | 111.1 | V107 A108 V109 I114 T115 L135 I138 G139 | V107-M111 VanDerWaalsContact O-CB 3.31Å; V107-M111 WeakPolarHBondContact O-CB 3.44Å; V107-M111 PolarHBondContact O-N 3.4Å; A108-M111 PolarHBondContact O-N 3.31Å; V109-M111 PolarHBondContact O-N 3.42Å; M111-I114 PolarHBondContact O-N 3.01Å; M111-T115 HydrophobicContact CG-CG2 4.35Å; M111-T115 WeakPolarHBondContact O-CB 3.36Å; M111-T115 WeakPolarHBondContact O-CG2 3.43Å; M111-T115 PolarHBondContact O-N 3.5Å; M111-T115 PolarHBondContact O-OG1 2.89Å; M111-L135 VanDerWaalsContact CE-O 3.31Å; M111-L135 WeakPolarHBondContact CE-O 3.35Å; M111-I138 HydrophobicContact CE-CB 3.91Å; M111-I138 HydrophobicContact CE-CG2 3.79Å; M111-G139 VanDerWaalsContact CE-N 3.34Å |
| 112 | T | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | 177.6 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | A108 V109 M110 T115 M116 G139 M140 | A108-T112 PolarHBondContact O-N 3Å; A108-T112 PolarHBondContact O-OG1 3.1Å; V109-T112 WeakPolarHBondContact O-CB 3.44Å; V109-T112 PolarHBondContact O-N 3.33Å; M110-T112 VanDerWaalsContact C-N 3.34Å; M110-T112 PolarHBondContact O-N 3Å; T112-T115 PolarHBondContact O-N 3.37Å; T112-T115 PolarHBondContact O-OG1 3.2Å; T112-T115 VanDerWaalsContact O-OG1 3.07Å; T112-M116 HydrophobicContact CG2-SD 4.09Å; T112-M116 WeakPolarHBondContact O-CB 3.31Å; T112-M116 VanDerWaalsContact O-CG 3.3Å; T112-M116 WeakPolarHBondContact O-CG 3.4Å; T112-M116 PolarHBondContact O-N 2.96Å; T112-G139 VanDerWaalsContact OG1-CA 3.27Å; T112-G139 WeakPolarHBondContact OG1-CA 3.48Å; T112-M140 HydrophobicContact CG2-CB 4.33Å; T112-M140 HydrophobicContact CG2-CE 3.91Å; T112-M140 PolarHBondContact OG1-N 2.95Å; T112-M140 VanDerWaalsContact OG1-N 3.09Å |
| 113 | S | 96.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | -179.4 | -67.1 | 0 | 0 | 0 | 0 | 112 | V109 M110 I117 A198 H201 L202 | V109-S113 PolarHBondContact O-N 2.94Å; V109-S113 PolarHBondContact O-OG 3.38Å; M110-S113 PolarHBondContact O-N 2.92Å; S113-I117 VanDerWaalsContact O-CG1 3.3Å; S113-I117 WeakPolarHBondContact O-CG1 3.35Å; S113-I117 PolarHBondContact O-N 3.13Å; S113-A198 VanDerWaalsContact CB-O 3.29Å; S113-A198 WeakPolarHBondContact CB-O 3.28Å; S113-A198 PolarHBondContact OG-O 3.01Å; S113-H201 PolarHBondContact OG-ND1 3.01Å; S113-L202 WeakPolarHBondContact OG-CD2 3.35Å |
| 114 | I | 96.9 | Very high | 93.8 | Very high | 112 Ų | 112 | 45.1 Ų | 45.1 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.2 | -44.3 | 176.2 | -69.1 | 165 | 0 | 0 | 0 | 110.7 | M110 M111 I117 A118 | M110-I114 WeakPolarHBondContact O-CB 2.99Å; M110-I114 WeakPolarHBondContact O-CD1 3.42Å; M110-I114 VanDerWaalsContact O-CG1 3.23Å; M110-I114 WeakPolarHBondContact O-CG1 3.4Å; M110-I114 PolarHBondContact O-N 2.93Å; M111-I114 PolarHBondContact O-N 3.01Å; I114-I117 PolarHBondContact O-N 3.41Å; I114-A118 VanDerWaalsContact O-CB 3.31Å; I114-A118 WeakPolarHBondContact O-CB 3.2Å; I114-A118 PolarHBondContact O-N 3.1Å |
| 115 | T | 96.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.3 | -33.2 | -176.7 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | M111 T112 A118 S119 M131 L135 G136 | M111-T115 HydrophobicContact CG-CG2 4.35Å; M111-T115 WeakPolarHBondContact O-CB 3.36Å; M111-T115 WeakPolarHBondContact O-CG2 3.43Å; M111-T115 PolarHBondContact O-N 3.5Å; M111-T115 PolarHBondContact O-OG1 2.89Å; T112-T115 PolarHBondContact O-N 3.37Å; T112-T115 PolarHBondContact O-OG1 3.2Å; T112-T115 VanDerWaalsContact O-OG1 3.07Å; T115-A118 PolarHBondContact O-N 2.98Å; T115-S119 PolarHBondContact O-N 2.94Å; T115-M131 WeakPolarHBondContact CB-O 3.28Å; T115-L135 HydrophobicContact CG2-CB 3.54Å; T115-L135 HydrophobicContact CG2-CD1 4.26Å; T115-G136 WeakPolarHBondContact OG1-CA 3.43Å; T115-G136 PolarHBondContact OG1-N 2.77Å |
| 116 | M | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 170 | -73.4 | 177.8 | 68.7 | 0 | 0 | 112.4 | I52 T112 S119 Y132 I194 L197 A198 | I52-M116 HydrophobicContact CD1-SD 4.47Å; I52-M116 HydrophobicContact CG2-CE 3.83Å; I52-M116 HydrophobicContact CG2-SD 4.17Å; T112-M116 HydrophobicContact CG2-SD 4.09Å; T112-M116 WeakPolarHBondContact O-CB 3.31Å; T112-M116 VanDerWaalsContact O-CG 3.3Å; T112-M116 WeakPolarHBondContact O-CG 3.4Å; T112-M116 PolarHBondContact O-N 2.96Å; M116-S119 PolarHBondContact O-OG 3.39Å; M116-Y132 HydrophobicContact CE-CE2 4.48Å; M116-Y132 HydrophobicContact CG-CD2 4.47Å; M116-I194 HydrophobicContact CB-CG2 4.44Å; M116-I194 HydrophobicContact CE-CG2 4.44Å; M116-L197 HydrophobicContact CE-CB 3.67Å; M116-L197 HydrophobicContact CE-CD1 4.34Å; M116-A198 HydrophobicContact CB-CB 3.72Å; M116-A198 HydrophobicContact CE-CB 4.42Å; M116-A198 HydrophobicContact SD-CB 4.46Å |
| 117 | I | 96.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 28% | 0.277 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 174.5 | -68.3 | 165.7 | 0 | 0 | 0 | 110.2 | S113 I114 S119 V120 F121 A198 L199 | S113-I117 VanDerWaalsContact O-CG1 3.3Å; S113-I117 WeakPolarHBondContact O-CG1 3.35Å; S113-I117 PolarHBondContact O-N 3.13Å; I114-I117 PolarHBondContact O-N 3.41Å; I117-S119 PolarHBondContact O-N 3.29Å; I117-V120 PolarHBondContact O-N 3.43Å; I117-F121 HydrophobicContact CG2-CE2 4.2Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 WeakPolarHBondContact O-CE2 3.27Å; I117-A198 HydrophobicContact CD1-CB 4.13Å; I117-A198 HydrophobicContact CG1-CB 3.64Å; I117-L199 HydrophobicContact CD1-CD2 4.48Å |
| 118 | A | 96.1 | Very high | 94.3 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I114 T115 V120 F121 F122 M131 | I114-A118 VanDerWaalsContact O-CB 3.31Å; I114-A118 WeakPolarHBondContact O-CB 3.2Å; I114-A118 PolarHBondContact O-N 3.1Å; T115-A118 PolarHBondContact O-N 2.98Å; A118-V120 PolarHBondContact O-N 3.33Å; A118-F121 PolarHBondContact O-N 3.35Å; A118-F122 VanDerWaalsContact O-CD2 3.28Å; A118-F122 WeakPolarHBondContact O-CD2 3.4Å; A118-M131 HydrophobicContact CB-CG 4.43Å; A118-M131 HydrophobicContact CB-SD 4.21Å |
| 119 | S | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.9 | -33.2 | -176.8 | 75.5 | 0 | 0 | 0 | 0 | 113 | T115 M116 I117 F121 F122 F128 | T115-S119 PolarHBondContact O-N 2.94Å; M116-S119 PolarHBondContact O-OG 3.39Å; I117-S119 PolarHBondContact O-N 3.29Å; S119-F121 PolarHBondContact O-N 3.41Å; S119-F121 VanDerWaalsContact O-N 3.15Å; S119-F122 PolarHBondContact O-N 2.7Å; S119-F128 WeakPolarHBondContact O-CD2 3.44Å |
| 120 | V | 94.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.9 | -178.7 | 174.2 | 0 | 0 | 0 | 0 | 113.5 | I117 A118 R191 I194 I195 | I117-V120 PolarHBondContact O-N 3.43Å; A118-V120 PolarHBondContact O-N 3.33Å; V120-R191 HydrophobicContact CG1-CB 3.52Å; V120-R191 HydrophobicContact CG1-CG 3.7Å; V120-R191 PolarHBondContact O-NE 3.24Å; V120-I194 HydrophobicContact CG2-CB 3.75Å; V120-I194 HydrophobicContact CG2-CD1 4.42Å; V120-I194 HydrophobicContact CG2-CG2 3.57Å; V120-I195 HydrophobicContact CG1-CD1 4.19Å; V120-I195 HydrophobicContact CG1-CG1 4.46Å; V120-I195 HydrophobicContact CG2-CG1 4.22Å |
| 121 | F | 93.6 | Very high | 94.3 | Very high | 156 Ų | 156 | 50.5 Ų | 50.5 | 68% | 0.684 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -9.1 | 177.6 | -61 | -80.5 | 0 | 0 | 0 | 114 | I117 A118 S119 | I117-F121 HydrophobicContact CG2-CE2 4.2Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 WeakPolarHBondContact O-CE2 3.27Å; A118-F121 PolarHBondContact O-N 3.35Å; S119-F121 PolarHBondContact O-N 3.41Å; S119-F121 VanDerWaalsContact O-N 3.15Å |
| 122 | F | 92.2 | Very high | 94.3 | Very high | 79 Ų | 79 | 48 Ų | 48 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | trans | -91.8 | 109.3 | -179.9 | -73.7 | -90.5 | 0 | 0 | 0 | 111.9 | A118 S119 S124 M131 | A118-F122 VanDerWaalsContact O-CD2 3.28Å; A118-F122 WeakPolarHBondContact O-CD2 3.4Å; S119-F122 PolarHBondContact O-N 2.7Å; F122-S124 PolarHBondContact O-N 3.03Å; F122-M131 HydrophobicContact CD2-CG 4.02Å; F122-M131 HydrophobicContact CE2-CE 4.05Å; F122-M131 HydrophobicContact CE2-CG 3.66Å; F122-M131 HydrophobicContact CZ-CE 3.96Å; F122-M131 HydrophobicContact CZ-CG 4.32Å | ||
| 123 | N | 87.6 | Confident | 94.2 | Very high | 110 Ų | 110 | 48 Ų | 48 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | trans | -84.3 | 24.4 | 170.1 | -57.8 | -38 | 0 | 0 | 0 | 112.7 | R191 | N123-R191 PolarHBondContact OD1-NH2 2.88Š| ||
| 124 | S | 91.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 51 Ų | 51 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -129.3 | 130.4 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 109.2 | F122 W126 G127 F128 | F122-S124 PolarHBondContact O-N 3.03Å; S124-W126 VanDerWaalsContact C-N 3.29Å; S124-W126 PolarHBondContact O-N 3.24Å; S124-G127 PolarHBondContact O-N 2.98Å; S124-F128 PolarHBondContact O-N 3.11Å |
| 125 | Y | 92 | Very high | 94 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 14% | 0.137 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -50.9 | -47.3 | -177 | 173.5 | -93.7 | 0 | 0 | 0 | 112.4 | L67 V69 H73 L74 L77 G127 F128 F129 | L67-Y125 HydrophobicContact CD1-CD2 4.42Å; V69-Y125 HydrophobicContact CG2-CD2 4.2Å; V69-Y125 HydrophobicContact CG2-CG 4.4Å; H73-Y125 PolarHBondContact O-OH 3.3Å; L74-Y125 HydrophobicContact CD2-CD2 4.44Å; L74-Y125 HydrophobicContact CD2-CE2 4.48Å; L77-Y125 HydrophobicContact CD2-CE2 4.4Å; L77-Y125 HydrophobicContact CG-CE2 4.4Å; Y125-G127 PolarHBondContact O-N 3.23Å; Y125-F128 PolarHBondContact O-N 3.22Å; Y125-F129 VanDerWaalsContact O-CB 3.28Å; Y125-F129 WeakPolarHBondContact O-CB 3.39Å; Y125-F129 PolarHBondContact O-N 3.16Å |
| 126 | W | 93.5 | Very high | 93.9 | Very high | 170 Ų | 170 | 48 Ų | 48 | 64% | 0.644 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.7 | -36.1 | -179.7 | -70.6 | 110.1 | 0 | 0 | 0 | 113.3 | S124 I130 | S124-W126 VanDerWaalsContact C-N 3.29Å; S124-W126 PolarHBondContact O-N 3.24Å; W126-I130 WeakPolarHBondContact O-CD1 3.44Å; W126-I130 VanDerWaalsContact O-CG1 3.26Å; W126-I130 WeakPolarHBondContact O-CG1 3.12Å; W126-I130 PolarHBondContact O-N 3.14Å |
| 127 | G | 93.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 48 Ų | 48 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | S124 Y125 I130 M131 | S124-G127 PolarHBondContact O-N 2.98Å; Y125-G127 PolarHBondContact O-N 3.23Å; G127-I130 PolarHBondContact O-N 2.81Å; G127-M131 WeakPolarHBondContact O-CG 3.14Å; G127-M131 PolarHBondContact O-N 2.84Å |
| 128 | F | 94.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 174.9 | -167 | -81.3 | 0 | 0 | 0 | 111.2 | L63 L77 S119 S124 Y125 I130 M131 Y132 W190 I194 | L63-F128 HydrophobicContact CD1-CE1 4.33Å; L63-F128 HydrophobicContact CD1-CZ 4.29Å; L63-F128 HydrophobicContact CD2-CD2 4.27Å; L63-F128 HydrophobicContact CD2-CE1 4.31Å; L63-F128 HydrophobicContact CD2-CE2 3.87Å; L63-F128 HydrophobicContact CD2-CZ 3.9Å; L77-F128 HydrophobicContact CD1-CD1 3.83Å; L77-F128 HydrophobicContact CD1-CE1 3.93Å; L77-F128 HydrophobicContact CD2-CD1 3.81Å; L77-F128 HydrophobicContact CD2-CE1 4.36Å; L77-F128 HydrophobicContact CG-CD1 4.42Å; S119-F128 WeakPolarHBondContact O-CD2 3.44Å; S124-F128 PolarHBondContact O-N 3.11Å; Y125-F128 PolarHBondContact O-N 3.22Å; F128-I130 PolarHBondContact O-N 3Å; F128-M131 PolarHBondContact O-N 3.35Å; F128-Y132 HydrophobicContact CD1-CG 4.39Å; F128-Y132 AromaticContact CE1-CD1 3.92Å; F128-Y132 HydrophobicContact CE1-CD1 3.92Å; F128-Y132 HydrophobicContact CE1-CD2 4.08Å; F128-Y132 AromaticContact CE1-CG 3.61Å; F128-Y132 HydrophobicContact CE1-CG 3.61Å; F128-Y132 HydrophobicContact CZ-CD2 4.01Å; F128-Y132 HydrophobicContact CZ-CG 4.02Å; F128-Y132 WeakPolarHBondContact O-CB 3.39Å; F128-Y132 PolarHBondContact O-N 3.41Å; F128-W190 HydrophobicContact CE2-CZ3 4.09Å; F128-I194 HydrophobicContact CE2-CD1 4.31Å; F128-I194 HydrophobicContact CZ-CD1 3.94Å |
| 129 | F | 93.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -57.3 | -47.1 | 176.1 | -175 | -82.3 | 0 | 0 | 0 | 112.2 | W76 L77 Y125 M131 T133 L134 | W76-F129 HydrophobicContact CB-CE2 4.25Å; L77-F129 HydrophobicContact CD2-CB 3.85Å; L77-F129 HydrophobicContact CD2-CD2 3.8Å; L77-F129 HydrophobicContact CD2-CG 4.26Å; Y125-F129 VanDerWaalsContact O-CB 3.28Å; Y125-F129 WeakPolarHBondContact O-CB 3.39Å; Y125-F129 PolarHBondContact O-N 3.16Å; F129-M131 PolarHBondContact O-N 3.4Å; F129-T133 HydrophobicContact CD2-CG2 4.27Å; F129-T133 HydrophobicContact CE1-CG2 4.47Å; F129-T133 HydrophobicContact CE2-CG2 3.89Å; F129-T133 HydrophobicContact CZ-CG2 3.99Å; F129-T133 WeakPolarHBondContact O-CA 3.26Å; F129-T133 WeakPolarHBondContact O-CB 3.46Å; F129-T133 PolarHBondContact O-N 3.5Å; F129-L134 HydrophobicContact CD1-CD1 3.81Å; F129-L134 HydrophobicContact CD1-CG 4.3Å; F129-L134 HydrophobicContact CE1-CD1 3.61Å; F129-L134 HydrophobicContact CE1-CG 3.88Å; F129-L134 PolarHBondContact O-N 3.25Å; F129-L134 VanDerWaalsContact O-N 3.08Å |
| 130 | I | 95.6 | Very high | 93.4 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -62.9 | -42.7 | -179.4 | -70.5 | 164.9 | 0 | 0 | 0 | 111.6 | W126 G127 F128 L134 L135 | W126-I130 WeakPolarHBondContact O-CD1 3.44Å; W126-I130 VanDerWaalsContact O-CG1 3.26Å; W126-I130 WeakPolarHBondContact O-CG1 3.12Å; W126-I130 PolarHBondContact O-N 3.14Å; G127-I130 PolarHBondContact O-N 2.81Å; F128-I130 PolarHBondContact O-N 3Å; I130-L134 HydrophobicContact CG1-CD1 4.03Å; I130-L134 WeakPolarHBondContact O-CB 3.21Å; I130-L135 HydrophobicContact CG2-CD1 4.28Å; I130-L135 WeakPolarHBondContact O-CG 3.19Å; I130-L135 PolarHBondContact O-N 3.19Å |
| 131 | M | 95.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 22% | 0.222 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -77.2 | -53.5 | -177.5 | -66.2 | -63.9 | 168.8 | 0 | 0 | 112.4 | T115 A118 F122 G127 F128 F129 L135 G136 | T115-M131 WeakPolarHBondContact CB-O 3.28Å; A118-M131 HydrophobicContact CB-CG 4.43Å; A118-M131 HydrophobicContact CB-SD 4.21Å; F122-M131 HydrophobicContact CD2-CG 4.02Å; F122-M131 HydrophobicContact CE2-CE 4.05Å; F122-M131 HydrophobicContact CE2-CG 3.66Å; F122-M131 HydrophobicContact CZ-CE 3.96Å; F122-M131 HydrophobicContact CZ-CG 4.32Å; G127-M131 WeakPolarHBondContact O-CG 3.14Å; G127-M131 PolarHBondContact O-N 2.84Å; F128-M131 PolarHBondContact O-N 3.35Å; F129-M131 PolarHBondContact O-N 3.4Å; M131-L135 HydrophobicContact SD-CD1 3.87Å; M131-G136 PolarHBondContact O-N 3.06Å |
| 132 | Y | 94.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 40 Ų | 40 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -73.1 | -50.1 | -175.6 | -172.4 | -96.2 | 0 | 0 | 0 | 112 | L77 M116 F128 G136 I194 | L77-Y132 HydrophobicContact CB-CD1 4.47Å; M116-Y132 HydrophobicContact CE-CE2 4.48Å; M116-Y132 HydrophobicContact CG-CD2 4.47Å; F128-Y132 HydrophobicContact CD1-CG 4.39Å; F128-Y132 AromaticContact CE1-CD1 3.92Å; F128-Y132 HydrophobicContact CE1-CD1 3.92Å; F128-Y132 HydrophobicContact CE1-CD2 4.08Å; F128-Y132 AromaticContact CE1-CG 3.61Å; F128-Y132 HydrophobicContact CE1-CG 3.61Å; F128-Y132 HydrophobicContact CZ-CD2 4.01Å; F128-Y132 HydrophobicContact CZ-CG 4.02Å; F128-Y132 WeakPolarHBondContact O-CB 3.39Å; F128-Y132 PolarHBondContact O-N 3.41Å; Y132-G136 WeakPolarHBondContact O-CA 3.45Å; Y132-I194 HydrophobicContact CE2-CG2 4.41Å |
| 133 | T | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -85.6 | -57.1 | -170.5 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | L77 Q81 I84 F129 G137 | L77-T133 VanDerWaalsContact CA-OG1 3.32Å; L77-T133 WeakPolarHBondContact CA-OG1 3.11Å; L77-T133 WeakPolarHBondContact CD2-OG1 3.37Å; L77-T133 WeakPolarHBondContact O-CG2 3.3Å; L77-T133 PolarHBondContact O-OG1 3.39Å; Q81-T133 HydrophobicContact CB-CG2 4.38Å; Q81-T133 VanDerWaalsContact N-CG2 3.33Å; I84-T133 HydrophobicContact CD1-CG2 4.29Å; F129-T133 HydrophobicContact CD2-CG2 4.27Å; F129-T133 HydrophobicContact CE1-CG2 4.47Å; F129-T133 HydrophobicContact CE2-CG2 3.89Å; F129-T133 HydrophobicContact CZ-CG2 3.99Å; F129-T133 WeakPolarHBondContact O-CA 3.26Å; F129-T133 WeakPolarHBondContact O-CB 3.46Å; F129-T133 PolarHBondContact O-N 3.5Å; T133-G137 WeakPolarHBondContact O-CA 3.48Å; T133-G137 PolarHBondContact O-N 3.05Å |
| 134 | L | 94.7 | Very high | 92.9 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 35% | 0.346 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -72.4 | -64.2 | -175.2 | -82.1 | 157.1 | 0 | 0 | 0 | 112.4 | I84 F129 I130 G137 I138 | I84-L134 HydrophobicContact CD1-CB 4.44Å; I84-L134 HydrophobicContact CD1-CD2 3.64Å; I84-L134 HydrophobicContact CD1-CG 3.99Å; F129-L134 HydrophobicContact CD1-CD1 3.81Å; F129-L134 HydrophobicContact CD1-CG 4.3Å; F129-L134 HydrophobicContact CE1-CD1 3.61Å; F129-L134 HydrophobicContact CE1-CG 3.88Å; F129-L134 PolarHBondContact O-N 3.25Å; F129-L134 VanDerWaalsContact O-N 3.08Å; I130-L134 HydrophobicContact CG1-CD1 4.03Å; I130-L134 WeakPolarHBondContact O-CB 3.21Å; L134-G137 PolarHBondContact O-N 3.49Å; L134-I138 VanDerWaalsContact O-CG1 3.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 3.45Å; L134-I138 VanDerWaalsContact O-N 3.07Å |
| 135 | L | 95.1 | Very high | 92.4 | Very high | 62 Ų | 62 | 29.2 Ų | 29.2 | 33% | 0.325 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -71.4 | -41.7 | -175.1 | -62.7 | 173.7 | 0 | 0 | 0 | 111.6 | M111 T115 I130 M131 G137 I138 G139 | M111-L135 VanDerWaalsContact CE-O 3.31Å; M111-L135 WeakPolarHBondContact CE-O 3.35Å; T115-L135 HydrophobicContact CG2-CB 3.54Å; T115-L135 HydrophobicContact CG2-CD1 4.26Å; I130-L135 HydrophobicContact CG2-CD1 4.28Å; I130-L135 WeakPolarHBondContact O-CG 3.19Å; I130-L135 PolarHBondContact O-N 3.19Å; M131-L135 HydrophobicContact SD-CD1 3.87Å; L135-G137 PolarHBondContact O-N 3.01Å; L135-I138 PolarHBondContact O-N 3.46Å; L135-G139 PolarHBondContact O-N 3.28Å; L135-G139 VanDerWaalsContact O-N 3.14Å |
| 136 | G | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | T115 M131 Y132 I138 G139 M140 | T115-G136 WeakPolarHBondContact OG1-CA 3.43Å; T115-G136 PolarHBondContact OG1-N 2.77Å; M131-G136 PolarHBondContact O-N 3.06Å; Y132-G136 WeakPolarHBondContact O-CA 3.45Å; G136-I138 PolarHBondContact O-N 3.18Å; G136-G139 PolarHBondContact O-N 3.24Å; G136-M140 WeakPolarHBondContact O-CB 3.49Å; G136-M140 PolarHBondContact O-N 3.29Å |
| 137 | G | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T85 T133 L134 L135 M140 G141 | T85-G137 WeakPolarHBondContact CA-O 3.45Å; T85-G137 PolarHBondContact OG1-O 3.47Å; T133-G137 WeakPolarHBondContact O-CA 3.48Å; T133-G137 PolarHBondContact O-N 3.05Å; L134-G137 PolarHBondContact O-N 3.49Å; L135-G137 PolarHBondContact O-N 3.01Å; G137-M140 PolarHBondContact O-N 3.27Å; G137-G141 PolarHBondContact O-N 2.97Å |
| 138 | I | 94.1 | Very high | 90.9 | Very high | 54 Ų | 54 | 22.8 Ų | 22.8 | 28% | 0.277 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 178.8 | -66.9 | 164.6 | 0 | 0 | 0 | 112 | I84 L88 Y92 M111 L134 L135 G136 G141 I142 | I84-I138 HydrophobicContact CG2-CG1 3.69Å; L88-I138 HydrophobicContact CD1-CG1 4.38Å; Y92-I138 HydrophobicContact CE1-CG2 4.2Å; Y92-I138 WeakPolarHBondContact OH-CA 3.37Å; M111-I138 HydrophobicContact CE-CB 3.91Å; M111-I138 HydrophobicContact CE-CG2 3.79Å; L134-I138 VanDerWaalsContact O-CG1 3.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 3.45Å; L134-I138 VanDerWaalsContact O-N 3.07Å; L135-I138 PolarHBondContact O-N 3.46Å; G136-I138 PolarHBondContact O-N 3.18Å; I138-G141 PolarHBondContact O-N 3.44Å; I138-I142 HydrophobicContact CG2-CD1 4.3Å; I138-I142 WeakPolarHBondContact O-CG1 3.22Å; I138-I142 PolarHBondContact O-N 3.38Å |
| 139 | G | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A108 M111 T112 L135 G136 G141 S143 | A108-G139 VanDerWaalsContact CB-O 3.31Å; A108-G139 WeakPolarHBondContact CB-O 3.46Å; A108-G139 WeakPolarHBondContact O-CA 3.4Å; M111-G139 VanDerWaalsContact CE-N 3.34Å; T112-G139 VanDerWaalsContact OG1-CA 3.27Å; T112-G139 WeakPolarHBondContact OG1-CA 3.48Å; L135-G139 PolarHBondContact O-N 3.28Å; L135-G139 VanDerWaalsContact O-N 3.14Å; G136-G139 PolarHBondContact O-N 3.24Å; G139-G141 VanDerWaalsContact C-N 3.32Å; G139-G141 PolarHBondContact O-N 2.94Å; G139-S143 PolarHBondContact O-N 3.37Å |
| 140 | M | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 177.7 | -171.9 | 160.3 | -67.3 | 0 | 0 | 111.9 | H49 I52 L53 T85 T112 G136 G137 S143 V144 | H49-M140 HydrophobicContact CB-CG 4.17Å; H49-M140 HydrophobicContact CB-SD 4.22Å; I52-M140 HydrophobicContact CB-CE 4.05Å; I52-M140 HydrophobicContact CD1-CE 4.13Å; I52-M140 HydrophobicContact CG2-CE 3.92Å; L53-M140 HydrophobicContact CD1-SD 3.84Å; L53-M140 HydrophobicContact CD2-SD 3.66Å; L53-M140 HydrophobicContact CG-SD 3.53Å; L53-M140 VanDerWaalsContact CG-SD 3.53Å; T85-M140 HydrophobicContact CG2-CB 4.24Å; T85-M140 HydrophobicContact CG2-CG 3.84Å; T112-M140 HydrophobicContact CG2-CB 4.33Å; T112-M140 HydrophobicContact CG2-CE 3.91Å; T112-M140 PolarHBondContact OG1-N 2.95Å; T112-M140 VanDerWaalsContact OG1-N 3.09Å; G136-M140 WeakPolarHBondContact O-CB 3.49Å; G136-M140 PolarHBondContact O-N 3.29Å; G137-M140 PolarHBondContact O-N 3.27Å; M140-S143 WeakPolarHBondContact O-CB 3.42Å; M140-S143 PolarHBondContact O-N 3.45Å; M140-V144 PolarHBondContact O-N 2.96Å |
| 141 | G | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T85 Y92 G137 I138 G139 S143 V144 V145 | T85-G141 VanDerWaalsContact O-CA 3.25Å; T85-G141 WeakPolarHBondContact O-CA 3.19Å; Y92-G141 WeakPolarHBondContact CD2-O 3.37Å; G137-G141 PolarHBondContact O-N 2.97Å; I138-G141 PolarHBondContact O-N 3.44Å; G139-G141 VanDerWaalsContact C-N 3.32Å; G139-G141 PolarHBondContact O-N 2.94Å; G141-S143 PolarHBondContact O-N 3.48Å; G141-V144 PolarHBondContact O-N 3.06Å; G141-V145 VanDerWaalsContact O-CG2 3.32Å; G141-V145 WeakPolarHBondContact O-CG2 3.47Å |
| 142 | I | 89.8 | Confident | 88.1 | Confident | 22 Ų | 22 | 19.1 Ų | 19.1 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -31.8 | 176.9 | -64.4 | 165.5 | 0 | 0 | 0 | 111.2 | Y92 L95 L96 A104 A108 I138 | Y92-I142 HydrophobicContact CD1-CB 4.41Å; Y92-I142 HydrophobicContact CD1-CD1 4.29Å; Y92-I142 HydrophobicContact CD1-CG1 3.32Å; Y92-I142 HydrophobicContact CE1-CD1 4.34Å; Y92-I142 HydrophobicContact CE1-CG1 3.65Å; Y92-I142 HydrophobicContact CG-CG1 3.92Å; L95-I142 HydrophobicContact CD2-CD1 3.88Å; L95-I142 HydrophobicContact CD2-CG1 4.22Å; L96-I142 HydrophobicContact CD2-CG2 4.13Å; A104-I142 HydrophobicContact CB-CG2 4.19Å; A108-I142 HydrophobicContact CB-CB 3.69Å; A108-I142 HydrophobicContact CB-CD1 4.47Å; A108-I142 HydrophobicContact CB-CG2 3.75Å; I138-I142 HydrophobicContact CG2-CD1 4.3Å; I138-I142 WeakPolarHBondContact O-CG1 3.22Å; I138-I142 PolarHBondContact O-N 3.38Å |
| 143 | S | 88.2 | Confident | 87.1 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -77 | -42.4 | -179 | -170.6 | 0 | 0 | 0 | 0 | 113 | H49 G139 M140 G141 | H49-S143 PolarHBondContact CE1-OG 3Å; H49-S143 VanDerWaalsContact NE2-CB 3.32Å; H49-S143 WeakPolarHBondContact NE2-CB 2.98Å; H49-S143 PolarHBondContact NE2-OG 3.26Å; G139-S143 PolarHBondContact O-N 3.37Å; M140-S143 WeakPolarHBondContact O-CB 3.42Å; M140-S143 PolarHBondContact O-N 3.45Å; G141-S143 PolarHBondContact O-N 3.48Å |
| 144 | V | 88.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 21 Ų | 21 | 7% | 0.073 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -76.1 | -36.8 | -168.9 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | H49 Y50 T85 M140 G141 R146 I147 | H49-V144 HydrophobicContact CB-CG2 4.4Å; Y50-V144 HydrophobicContact CE2-CG2 4.22Å; T85-V144 HydrophobicContact CG2-CG1 3.76Å; M140-V144 PolarHBondContact O-N 2.96Å; G141-V144 PolarHBondContact O-N 3.06Å; V144-R146 PolarHBondContact O-N 3.32Å; V144-I147 HydrophobicContact CG2-CD1 4.36Å; V144-I147 WeakPolarHBondContact O-CG1 3.17Å; V144-I147 PolarHBondContact O-N 2.94Å |
| 145 | V | 82 | Confident | 85.8 | Confident | 13 Ų | 13 | 17.9 Ų | 17.9 | 8% | 0.079 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -35.3 | -161.9 | 172 | 0 | 0 | 0 | 0 | 114.2 | A89 Y92 N93 G141 | A89-V145 HydrophobicContact CB-CG1 4.29Å; A89-V145 HydrophobicContact CB-CG2 3.61Å; Y92-V145 HydrophobicContact CD2-CG2 4.11Å; N93-V145 WeakPolarHBondContact ND2-CG1 3.01Å; N93-V145 VanDerWaalsContact OD1-CG1 3.29Å; N93-V145 WeakPolarHBondContact OD1-CG1 3.37Å; G141-V145 VanDerWaalsContact O-CG2 3.32Å; G141-V145 WeakPolarHBondContact O-CG2 3.47Å |
| 146 | R | 79.1 | Confident | 84.6 | Confident | 48 Ų | 48 | 20.1 Ų | 20.1 | 18% | 0.181 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -86.3 | -10.5 | -177.3 | -78.9 | -168 | 171.3 | 179.9 | -1.9 | 115.3 | L96 D97 T101 V144 I148 A149 I150 | L96-R146 VanDerWaalsContact C-NH2 3.27Å; L96-R146 HydrophobicContact CD1-CG 3.93Å; L96-R146 PolarHBondContact O-NH1 2.97Å; L96-R146 PolarHBondContact O-NH2 3.46Å; D97-R146 IonicContact OD1-CZ 3.3Å; D97-R146 IonicContact OD1-NH2 3.52Å; D97-R146 PolarHBondContact OD1-NH2 3Å; T101-R146 PolarHBondContact OG1-NH1 3.31Å; T101-R146 VanDerWaalsContact OG1-NH1 3.09Å; V144-R146 PolarHBondContact O-N 3.32Å; R146-I148 PolarHBondContact O-N 3.29Å; R146-A149 PolarHBondContact O-N 3.49Å; R146-I150 HydrophobicContact CB-CD1 4.25Å; R146-I150 WeakPolarHBondContact O-CG1 3.07Å; R146-I150 PolarHBondContact O-N 3.44Å |
| 147 | I | 86.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | -172.8 | -54.9 | 170.2 | 0 | 0 | 0 | 110.9 | A42 M45 V46 V144 M151 | A42-I147 HydrophobicContact CB-CG2 3.82Å; M45-I147 HydrophobicContact CB-CD1 3.79Å; M45-I147 HydrophobicContact CE-CD1 3.89Å; M45-I147 HydrophobicContact CE-CG1 3.86Å; V46-I147 HydrophobicContact CG2-CD1 4.44Å; V46-I147 HydrophobicContact CG2-CG2 3.94Å; V144-I147 HydrophobicContact CG2-CD1 4.36Å; V144-I147 WeakPolarHBondContact O-CG1 3.17Å; V144-I147 PolarHBondContact O-N 2.94Å; I147-M151 WeakPolarHBondContact O-CB 3.33Å; I147-M151 PolarHBondContact O-N 3.39Å; I147-M151 VanDerWaalsContact O-N 3.14Å |
| 148 | I | 81.7 | Confident | 83.1 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 15% | 0.154 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70 | -39.5 | -177.8 | -60.7 | 175.4 | 0 | 0 | 0 | 111 | R146 M151 A152 L163 L783 | R146-I148 PolarHBondContact O-N 3.29Å; I148-M151 PolarHBondContact O-N 3.03Å; I148-A152 WeakPolarHBondContact O-CB 3.34Å; I148-A152 PolarHBondContact O-N 2.99Å; I148-L163 HydrophobicContact CG2-CD2 3.83Å; I148-L783 HydrophobicContact CG2-CD2 4.48Å |
| 149 | A | 75.8 | Confident | 82.4 | Confident | 42 Ų | 42 | 31.3 Ų | 31.3 | 35% | 0.347 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.6 | -45.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R146 A152 G153 | R146-A149 PolarHBondContact O-N 3.49Å; A149-A152 PolarHBondContact O-N 2.89Å; A149-G153 PolarHBondContact O-N 3.06Å |
| 150 | I | 81.5 | Confident | 81.7 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -45.3 | 176.8 | -62 | 165.8 | 0 | 0 | 0 | 110.3 | R146 A152 G153 Y154 H211 P213 | R146-I150 HydrophobicContact CB-CD1 4.25Å; R146-I150 WeakPolarHBondContact O-CG1 3.07Å; R146-I150 PolarHBondContact O-N 3.44Å; I150-A152 VanDerWaalsContact C-N 3.32Å; I150-A152 PolarHBondContact O-N 3.36Å; I150-G153 PolarHBondContact O-N 3.39Å; I150-Y154 HydrophobicContact CG2-CD2 4.13Å; I150-Y154 HydrophobicContact CG2-CE2 3.88Å; I150-Y154 WeakPolarHBondContact O-CD2 3.46Å; I150-H211 WeakPolarHBondContact CB-NE2 3.38Å; I150-H211 WeakPolarHBondContact CG2-CD2 3.45Å; I150-H211 VanDerWaalsContact CG2-NE2 3.33Å; I150-H211 WeakPolarHBondContact CG2-NE2 3.37Å; I150-P213 HydrophobicContact CD1-CB 4.45Å; I150-P213 HydrophobicContact CG1-CB 4.28Å |
| 151 | M | 84 | Confident | 81.4 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56 | -45 | 177.2 | 177.5 | 57.6 | 178.8 | 0 | 0 | 112.3 | A39 A42 I147 I148 G153 Y154 F155 A162 C166 | A39-M151 VanDerWaalsContact CA-SD 3.59Å; A39-M151 HydrophobicContact CB-CE 3.31Å; A39-M151 HydrophobicContact CB-SD 3.91Å; A42-M151 HydrophobicContact CB-CB 4.36Å; A42-M151 HydrophobicContact CB-CG 4.32Å; A42-M151 HydrophobicContact CB-SD 4.3Å; I147-M151 WeakPolarHBondContact O-CB 3.33Å; I147-M151 PolarHBondContact O-N 3.39Å; I147-M151 VanDerWaalsContact O-N 3.14Å; I148-M151 PolarHBondContact O-N 3.03Å; M151-G153 PolarHBondContact O-N 3.33Å; M151-Y154 PolarHBondContact O-N 3.32Å; M151-Y154 VanDerWaalsContact O-N 3.13Å; M151-F155 HydrophobicContact CE-CD2 3.89Å; M151-F155 HydrophobicContact CE-CE2 3.46Å; M151-F155 VanDerWaalsContact CE-CE2 3.46Å; M151-F155 HydrophobicContact CE-CZ 4.22Å; M151-F155 HydrophobicContact SD-CD2 4Å; M151-F155 HydrophobicContact SD-CE2 3.63Å; M151-A162 HydrophobicContact CE-CB 3.58Å; M151-A162 WeakPolarHBondContact CE-O 3.21Å; M151-C166 HydrophobicContact CE-CB 4.37Å; M151-C166 HydrophobicContact CG-CB 4.04Å |
| 152 | A | 78.2 | Confident | 81.2 | Confident | 16 Ų | 16 | 35.2 Ų | 35.2 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -19.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | I148 A149 I150 L163 | I148-A152 WeakPolarHBondContact O-CB 3.34Å; I148-A152 PolarHBondContact O-N 2.99Å; A149-A152 PolarHBondContact O-N 2.89Å; I150-A152 VanDerWaalsContact C-N 3.32Å; I150-A152 PolarHBondContact O-N 3.36Å; A152-L163 HydrophobicContact CB-CD2 4.27Å |
| 153 | G | 72.8 | Confident | 81 | Confident | 35 Ų | 35 | 34.8 Ų | 34.8 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A149 I150 M151 L214 | A149-G153 PolarHBondContact O-N 3.06Å; I150-G153 PolarHBondContact O-N 3.39Å; M151-G153 PolarHBondContact O-N 3.33Å; G153-L214 WeakPolarHBondContact O-CD2 3.31Å |
| 154 | Y | 82.9 | Confident | 81 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -94.2 | -6 | 179.3 | -89.7 | -77.3 | 0 | 0 | 0 | 114.1 | C29 I30 D31 A35 K38 I150 M151 K212 L214 | C29-Y154 HydrophobicContact CB-CD1 4.21Å; C29-Y154 HydrophobicContact CB-CE1 3.92Å; I30-Y154 WeakPolarHBondContact CA-O 3.28Å; D31-Y154 PolarHBondContact N-O 3.45Å; A35-Y154 HydrophobicContact CB-CD1 4.1Å; A35-Y154 HydrophobicContact CB-CG 4.41Å; A35-Y154 WeakPolarHBondContact CB-O 3.48Å; K38-Y154 HydrophobicContact CB-CD2 4.29Å; K38-Y154 HydrophobicContact CB-CE2 4.46Å; K38-Y154 HydrophobicContact CD-CE2 4.13Å; K38-Y154 HydrophobicContact CG-CD1 4.24Å; K38-Y154 HydrophobicContact CG-CD2 3.98Å; K38-Y154 HydrophobicContact CG-CE1 4.06Å; K38-Y154 HydrophobicContact CG-CE2 3.78Å; K38-Y154 HydrophobicContact CG-CG 4.21Å; I150-Y154 HydrophobicContact CG2-CD2 4.13Å; I150-Y154 HydrophobicContact CG2-CE2 3.88Å; I150-Y154 WeakPolarHBondContact O-CD2 3.46Å; M151-Y154 PolarHBondContact O-N 3.32Å; M151-Y154 VanDerWaalsContact O-N 3.13Å; Y154-K212 WeakPolarHBondContact CE2-O 3.28Å; Y154-K212 PolarHBondContact OH-O 3.02Å; Y154-L214 HydrophobicContact CD1-CD1 4.21Å; Y154-L214 HydrophobicContact CE1-CD1 3.74Å |
| 155 | F | 79.5 | Confident | 81.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | trans | -138.7 | 123.4 | -173 | -68.5 | -89.7 | 0 | 0 | 0 | 111 | D31 A35 W36 A39 M151 R159 A162 | D31-F155 WeakPolarHBondContact OD1-CA 3.36Å; D31-F155 WeakPolarHBondContact OD1-CD1 3.21Å; A35-F155 VanDerWaalsContact C-CZ 3.48Å; A35-F155 HydrophobicContact CB-CD1 4.46Å; A35-F155 HydrophobicContact CB-CD2 4.31Å; A35-F155 HydrophobicContact CB-CE1 3.93Å; A35-F155 HydrophobicContact CB-CE2 3.73Å; A35-F155 HydrophobicContact CB-CZ 3.55Å; W36-F155 AromaticContact CD2-CE1 3.98Å; W36-F155 HydrophobicContact CD2-CE1 3.98Å; W36-F155 HydrophobicContact CD2-CZ 4.05Å; W36-F155 AromaticContact CE2-CE1 3.65Å; W36-F155 HydrophobicContact CE3-CE1 4.39Å; W36-F155 HydrophobicContact CE3-CZ 4.25Å; W36-F155 HydrophobicContact CG-CE1 4.43Å; W36-F155 HydrophobicContact CG-CZ 4.35Å; W36-F155 HydrophobicContact CH2-CE1 4.24Å; W36-F155 AromaticContact CZ2-CE1 3.81Å; W36-F155 HydrophobicContact CZ2-CE1 3.81Å; W36-F155 AromaticContact NE1-CE1 3.91Å; A39-F155 HydrophobicContact CB-CE2 4.16Å; A39-F155 HydrophobicContact CB-CZ 4.08Å; M151-F155 HydrophobicContact CE-CD2 3.89Å; M151-F155 HydrophobicContact CE-CE2 3.46Å; M151-F155 VanDerWaalsContact CE-CE2 3.46Å; M151-F155 HydrophobicContact CE-CZ 4.22Å; M151-F155 HydrophobicContact SD-CD2 4Å; M151-F155 HydrophobicContact SD-CE2 3.63Å; F155-R159 HydrophobicContact CB-CB 4.35Å; F155-R159 WeakPolarHBondContact O-CB 3.31Å; F155-R159 WeakPolarHBondContact O-CG 3.46Å; F155-A162 HydrophobicContact CB-CB 4.04Å; F155-A162 HydrophobicContact CD1-CB 3.71Å; F155-A162 HydrophobicContact CD2-CB 3.62Å; F155-A162 HydrophobicContact CE1-CB 3.97Å; F155-A162 HydrophobicContact CE2-CB 3.9Å; F155-A162 HydrophobicContact CG-CB 3.51Å; F155-A162 HydrophobicContact CZ-CB 4.05Å | ||
| 156 | D | 70.1 | Confident | 81.6 | Confident | 109 Ų | 109 | 35 Ų | 35 | 58% | 0.583 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -105.4 | -56.3 | 172.5 | -76.1 | -35.4 | 0 | 0 | 0 | 110 | I30 D31 | I30-D156 HydrophobicContact CG2-CB 4.16Å; D31-D156 PolarHBondContact OD1-N 3.3Å; D31-D156 PolarHBondContact OD2-N 3.27Å; D31-D156 VanDerWaalsContact OD2-N 3.1Å |
| 157 | R | 73.6 | Confident | 82.1 | Confident | 163 Ų | 163 | 33.6 Ų | 33.6 | 62% | 0.615 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -46 | -177.9 | -172.2 | 178.7 | -173.7 | -170.8 | 2.7 | 112.5 | D31 Q714 | D31-R157 PolarHBondContact OD1-N 3.38Å; D31-R157 WeakPolarHBondContact OD2-CB 3.5Å; D31-R157 PolarHBondContact OD2-N 3.35Å; R157-Q714 PolarHBondContact O-NE2 2.75Å |
| 158 | Y | 81.7 | Confident | 82.4 | Confident | 71 Ų | 71 | 33.4 Ų | 33.4 | 28% | 0.278 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 19.6 | -175.4 | -58.3 | -73.4 | 0 | 0 | 0 | 113.2 | D31 I160 F161 A162 Q714 | D31-Y158 HydrophobicContact CB-CD2 4.14Å; D31-Y158 PolarHBondContact OD1-N 3.15Å; Y158-I160 VanDerWaalsContact C-N 3.35Å; Y158-I160 PolarHBondContact O-N 3.34Å; Y158-F161 PolarHBondContact O-N 3.03Å; Y158-A162 VanDerWaalsContact O-CB 3.23Å; Y158-A162 WeakPolarHBondContact O-CB 3.42Å; Y158-A162 PolarHBondContact O-N 2.62Å; Y158-Q714 VanDerWaalsContact C-OE1 3.31Å; Y158-Q714 PolarHBondContact O-OE1 3.18Å |
| 159 | R | 78.6 | Confident | 82.9 | Confident | 56 Ų | 56 | 32 Ų | 32 | 21% | 0.211 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57 | -40.4 | -168.1 | -171.1 | 174.3 | 173.8 | 169.6 | 3.9 | 114.4 | F155 L163 | F155-R159 HydrophobicContact CB-CB 4.35Å; F155-R159 WeakPolarHBondContact O-CB 3.31Å; F155-R159 WeakPolarHBondContact O-CG 3.46Å; R159-L163 HydrophobicContact CG-CD1 4.19Å; R159-L163 WeakPolarHBondContact O-CB 3.42Å; R159-L163 VanDerWaalsContact O-CG 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.37Å; R159-L163 PolarHBondContact O-N 3.21Å |
| 160 | I | 78.6 | Confident | 83.7 | Confident | 42 Ų | 42 | 30.1 Ų | 30.1 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.5 | -49.2 | -179.7 | -62.9 | 176.4 | 0 | 0 | 0 | 109.7 | Y158 A162 L163 A164 F765 | Y158-I160 VanDerWaalsContact C-N 3.35Å; Y158-I160 PolarHBondContact O-N 3.34Å; I160-A162 PolarHBondContact O-N 3.18Å; I160-L163 PolarHBondContact O-N 3.4Å; I160-A164 WeakPolarHBondContact O-CB 3.42Å; I160-A164 PolarHBondContact O-N 2.88Å; I160-F765 HydrophobicContact CG2-CD1 4.04Å; I160-F765 HydrophobicContact CG2-CE1 3.73Å |
| 161 | F | 85.1 | Confident | 84.2 | Confident | 37 Ų | 37 | 29 Ų | 29 | 16% | 0.162 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 178.7 | 179.5 | -131.4 | 0 | 0 | 0 | 112.5 | W36 Y158 A164 I165 I707 L711 Q714 | W36-F161 AromaticContact CH2-CD1 3.77Å; W36-F161 HydrophobicContact CH2-CD1 3.77Å; W36-F161 AromaticContact CH2-CE1 3.78Å; W36-F161 HydrophobicContact CH2-CE1 3.78Å; W36-F161 HydrophobicContact CZ3-CE1 4.31Å; Y158-F161 PolarHBondContact O-N 3.03Å; F161-A164 WeakPolarHBondContact O-CB 3.47Å; F161-A164 PolarHBondContact O-N 2.81Å; F161-I165 HydrophobicContact CD1-CD1 4.24Å; F161-I165 HydrophobicContact CD2-CD1 4.24Å; F161-I165 HydrophobicContact CD2-CG1 4.43Å; F161-I165 HydrophobicContact CE1-CD1 3.75Å; F161-I165 HydrophobicContact CE2-CD1 3.73Å; F161-I165 HydrophobicContact CE2-CG1 4.03Å; F161-I165 HydrophobicContact CG-CD1 4.46Å; F161-I165 HydrophobicContact CZ-CD1 3.48Å; F161-I165 VanDerWaalsContact CZ-CD1 3.48Å; F161-I165 HydrophobicContact CZ-CG1 4.26Å; F161-I165 PolarHBondContact O-N 2.73Å; F161-I707 HydrophobicContact CE2-CG2 4.32Å; F161-L711 HydrophobicContact CD1-CD2 4.46Å; F161-L711 HydrophobicContact CD2-CD2 3.79Å; F161-L711 HydrophobicContact CD2-CG 3.97Å; F161-L711 HydrophobicContact CE1-CD2 4.11Å; F161-L711 HydrophobicContact CE2-CD1 4.38Å; F161-L711 HydrophobicContact CE2-CD2 3.38Å; F161-L711 HydrophobicContact CE2-CG 3.54Å; F161-L711 HydrophobicContact CG-CD2 4.33Å; F161-L711 HydrophobicContact CZ-CD2 3.55Å; F161-L711 HydrophobicContact CZ-CG 4.15Å; F161-Q714 HydrophobicContact CB-CB 4Å; F161-Q714 HydrophobicContact CB-CG 3.95Å; F161-Q714 VanDerWaalsContact N-OE1 3.16Å |
| 162 | A | 86.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M151 F155 Y158 I160 C166 | M151-A162 HydrophobicContact CE-CB 3.58Å; M151-A162 WeakPolarHBondContact CE-O 3.21Å; F155-A162 HydrophobicContact CB-CB 4.04Å; F155-A162 HydrophobicContact CD1-CB 3.71Å; F155-A162 HydrophobicContact CD2-CB 3.62Å; F155-A162 HydrophobicContact CE1-CB 3.97Å; F155-A162 HydrophobicContact CE2-CB 3.9Å; F155-A162 HydrophobicContact CG-CB 3.51Å; F155-A162 HydrophobicContact CZ-CB 4.05Å; Y158-A162 VanDerWaalsContact O-CB 3.23Å; Y158-A162 WeakPolarHBondContact O-CB 3.42Å; Y158-A162 PolarHBondContact O-N 2.62Å; I160-A162 PolarHBondContact O-N 3.18Å; A162-C166 WeakPolarHBondContact O-CB 3.29Å; A162-C166 PolarHBondContact O-N 3.26Å |
| 163 | L | 85.4 | Confident | 85.5 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 7% | 0.073 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 171.4 | -75.6 | 172.2 | 0 | 0 | 0 | 112.3 | I148 A152 R159 I160 C166 S167 H767 | I148-L163 HydrophobicContact CG2-CD2 3.83Å; A152-L163 HydrophobicContact CB-CD2 4.27Å; R159-L163 HydrophobicContact CG-CD1 4.19Å; R159-L163 WeakPolarHBondContact O-CB 3.42Å; R159-L163 VanDerWaalsContact O-CG 3.26Å; R159-L163 WeakPolarHBondContact O-CG 3.37Å; R159-L163 PolarHBondContact O-N 3.21Å; I160-L163 PolarHBondContact O-N 3.4Å; L163-C166 WeakPolarHBondContact O-CB 3.28Å; L163-C166 PolarHBondContact O-N 3.1Å; L163-S167 WeakPolarHBondContact O-CB 3.42Å; L163-S167 PolarHBondContact O-N 3.48Å; L163-H767 HydrophobicContact CD1-CB 4.39Å |
| 164 | A | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I160 F161 S167 S168 G710 A764 | I160-A164 WeakPolarHBondContact O-CB 3.42Å; I160-A164 PolarHBondContact O-N 2.88Å; F161-A164 WeakPolarHBondContact O-CB 3.47Å; F161-A164 PolarHBondContact O-N 2.81Å; A164-S167 PolarHBondContact O-N 3.33Å; A164-S167 PolarHBondContact O-OG 3.34Å; A164-S168 PolarHBondContact O-N 3.26Å; A164-G710 VanDerWaalsContact CB-CA 3.4Å; A164-A764 HydrophobicContact CB-CB 4.1Å |
| 165 | I | 91.6 | Very high | 87.1 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 15% | 0.154 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -50.6 | 170.9 | -73 | 167.2 | 0 | 0 | 0 | 110.8 | W36 F43 F161 S167 S168 G169 | W36-I165 HydrophobicContact CH2-CD1 4.41Å; W36-I165 HydrophobicContact CZ3-CD1 3.75Å; F43-I165 HydrophobicContact CB-CG2 4.45Å; F43-I165 HydrophobicContact CD2-CG2 4.42Å; F43-I165 WeakPolarHBondContact CD2-O 3.47Å; F161-I165 HydrophobicContact CD1-CD1 4.24Å; F161-I165 HydrophobicContact CD2-CD1 4.24Å; F161-I165 HydrophobicContact CD2-CG1 4.43Å; F161-I165 HydrophobicContact CE1-CD1 3.75Å; F161-I165 HydrophobicContact CE2-CD1 3.73Å; F161-I165 HydrophobicContact CE2-CG1 4.03Å; F161-I165 HydrophobicContact CG-CD1 4.46Å; F161-I165 HydrophobicContact CZ-CD1 3.48Å; F161-I165 VanDerWaalsContact CZ-CD1 3.48Å; F161-I165 HydrophobicContact CZ-CG1 4.26Å; F161-I165 PolarHBondContact O-N 2.73Å; I165-S167 PolarHBondContact O-N 3.47Å; I165-S167 VanDerWaalsContact O-N 3.17Å; I165-S168 PolarHBondContact O-N 3.4Å; I165-S168 PolarHBondContact O-OG 3.24Å; I165-G169 PolarHBondContact O-N 3.14Å |
| 166 | C | 91.1 | Very high | 87.8 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -52.1 | -43.1 | 177 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | A42 V46 M151 A162 L163 | A42-C166 HydrophobicContact CB-CB 4.5Å; V46-C166 WeakPolarHBondContact CB-O 3.4Å; V46-C166 WeakPolarHBondContact CG1-O 3.49Å; M151-C166 HydrophobicContact CE-CB 4.37Å; M151-C166 HydrophobicContact CG-CB 4.04Å; A162-C166 WeakPolarHBondContact O-CB 3.29Å; A162-C166 PolarHBondContact O-N 3.26Å; L163-C166 WeakPolarHBondContact O-CB 3.28Å; L163-C166 PolarHBondContact O-N 3.1Å |
| 167 | S | 89.6 | Confident | 89 | Confident | 18 Ų | 18 | 29.2 Ų | 29.2 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.2 | -25.8 | 178.8 | 81.2 | 0 | 0 | 0 | 0 | 115 | L163 A164 I165 G169 G170 R706 | L163-S167 WeakPolarHBondContact O-CB 3.42Å; L163-S167 PolarHBondContact O-N 3.48Å; A164-S167 PolarHBondContact O-N 3.33Å; A164-S167 PolarHBondContact O-OG 3.34Å; I165-S167 PolarHBondContact O-N 3.47Å; I165-S167 VanDerWaalsContact O-N 3.17Å; S167-G169 PolarHBondContact O-N 3.21Å; S167-G170 PolarHBondContact O-N 3.08Å; S167-R706 PolarHBondContact O-NH1 3.29Å |
| 168 | S | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.1 | -18 | 178.1 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | F43 A164 I165 G170 G171 F172 M703 I707 | F43-S168 WeakPolarHBondContact CE2-OG 3.39Å; A164-S168 PolarHBondContact O-N 3.26Å; I165-S168 PolarHBondContact O-N 3.4Å; I165-S168 PolarHBondContact O-OG 3.24Å; S168-G170 PolarHBondContact O-N 3.35Å; S168-G171 PolarHBondContact O-N 2.89Å; S168-F172 PolarHBondContact O-N 3.4Å; S168-F172 VanDerWaalsContact O-N 3.13Å; S168-M703 WeakPolarHBondContact CB-O 3.46Å; S168-I707 WeakPolarHBondContact OG-CG1 3.38Å |
| 169 | G | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -48.5 | -41.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F43 G47 I165 S167 G171 F172 G173 | F43-G169 VanDerWaalsContact CD2-CA 3.41Å; F43-G169 VanDerWaalsContact CD2-N 3.27Å; F43-G169 WeakPolarHBondContact O-CA 3.48Å; G47-G169 VanDerWaalsContact CA-C 3.43Å; G47-G169 WeakPolarHBondContact CA-O 3.39Å; I165-G169 PolarHBondContact O-N 3.14Å; S167-G169 PolarHBondContact O-N 3.21Å; G169-G171 VanDerWaalsContact C-N 3.31Å; G169-G171 PolarHBondContact O-N 3.29Å; G169-F172 WeakPolarHBondContact O-CB 3.33Å; G169-F172 PolarHBondContact O-N 3.16Å; G169-G173 PolarHBondContact O-N 3.05Å |
| 170 | G | 92.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.9 | -33.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S167 S168 T174 | S167-G170 PolarHBondContact O-N 3.08Å; S168-G170 PolarHBondContact O-N 3.35Å; G170-T174 WeakPolarHBondContact O-CB 3.39Å; G170-T174 PolarHBondContact O-N 3.4Å; G170-T174 PolarHBondContact O-OG1 3.4Å |
| 171 | G | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.1 | -45.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S168 G169 G173 T174 L175 G699 | S168-G171 PolarHBondContact O-N 2.89Å; G169-G171 VanDerWaalsContact C-N 3.31Å; G169-G171 PolarHBondContact O-N 3.29Å; G171-G173 PolarHBondContact O-N 2.68Å; G171-T174 WeakPolarHBondContact O-CB 3.4Å; G171-T174 PolarHBondContact O-N 3.46Å; G171-L175 PolarHBondContact O-N 3.4Å; G171-G699 CarbonylContact C-O 3.57Å; G171-G699 VanDerWaalsContact C-O 3.28Å; G171-G699 WeakPolarHBondContact CA-O 3.3Å; G171-G699 CarbonylContact O-C 3.46Å; G171-G699 WeakPolarHBondContact O-CA 3.45Å |
| 172 | F | 95.3 | Very high | 92.3 | Very high | 61 Ų | 61 | 19.4 Ų | 19.4 | 27% | 0.268 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.3 | 173 | -103.2 | 0 | 0 | 0 | 112.4 | F43 L44 S168 G169 L175 L176 M703 | F43-F172 HydrophobicContact CE1-CB 4.1Å; F43-F172 AromaticContact CE1-CD1 3.66Å; F43-F172 HydrophobicContact CE1-CD1 3.66Å; F43-F172 HydrophobicContact CE1-CD2 4.38Å; F43-F172 HydrophobicContact CE1-CE1 4.19Å; F43-F172 AromaticContact CE1-CG 3.77Å; F43-F172 HydrophobicContact CE1-CG 3.77Å; F43-F172 HydrophobicContact CE2-CB 4.06Å; F43-F172 HydrophobicContact CZ-CB 3.43Å; F43-F172 VanDerWaalsContact CZ-CB 3.43Å; F43-F172 AromaticContact CZ-CD1 3.91Å; F43-F172 HydrophobicContact CZ-CD1 3.91Å; F43-F172 HydrophobicContact CZ-CD2 4.1Å; F43-F172 AromaticContact CZ-CG 3.54Å; F43-F172 HydrophobicContact CZ-CG 3.54Å; L44-F172 HydrophobicContact CD2-CE1 3.95Å; S168-F172 PolarHBondContact O-N 3.4Å; S168-F172 VanDerWaalsContact O-N 3.13Å; G169-F172 WeakPolarHBondContact O-CB 3.33Å; G169-F172 PolarHBondContact O-N 3.16Å; F172-L175 PolarHBondContact O-N 3.01Å; F172-L176 HydrophobicContact CE1-CD2 4.07Å; F172-L176 HydrophobicContact CZ-CD2 4.14Å; F172-L176 WeakPolarHBondContact O-CB 3.33Å; F172-L176 PolarHBondContact O-N 3.46Å; F172-M703 HydrophobicContact CB-CG 4.23Å; F172-M703 HydrophobicContact CB-SD 3.75Å; F172-M703 HydrophobicContact CD2-SD 3.98Å; F172-M703 HydrophobicContact CG-SD 4.34Å |
| 173 | G | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G47 G51 G169 G171 L175 L176 Y177 | G47-G173 WeakPolarHBondContact O-CA 3.48Å; G51-G173 VanDerWaalsContact CA-C 3.46Å; G169-G173 PolarHBondContact O-N 3.05Å; G171-G173 PolarHBondContact O-N 2.68Å; G173-L175 VanDerWaalsContact C-N 3.35Å; G173-L175 PolarHBondContact O-N 3.46Å; G173-L176 PolarHBondContact O-N 3.11Å; G173-Y177 WeakPolarHBondContact O-CB 3.37Å; G173-Y177 WeakPolarHBondContact O-CD2 3.49Å; G173-Y177 PolarHBondContact O-N 3.48Å |
| 174 | T | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | N54 G170 G171 T178 Y674 L695 | N54-T174 HydrophobicContact CB-CG2 4.2Å; N54-T174 PolarHBondContact ND2-OG1 2.75Å; G170-T174 WeakPolarHBondContact O-CB 3.39Å; G170-T174 PolarHBondContact O-N 3.4Å; G170-T174 PolarHBondContact O-OG1 3.4Å; G171-T174 WeakPolarHBondContact O-CB 3.4Å; G171-T174 PolarHBondContact O-N 3.46Å; T174-T178 WeakPolarHBondContact O-CB 3.16Å; T174-T178 PolarHBondContact O-N 3.41Å; T174-T178 PolarHBondContact O-OG1 3Å; T174-Y674 HydrophobicContact CG2-CE1 4.12Å; T174-L695 HydrophobicContact CG2-CD1 3.8Å; T174-L695 HydrophobicContact CG2-CD2 4.38Å; T174-L695 HydrophobicContact CG2-CG 3.86Å |
| 175 | L | 95.2 | Very high | 93.1 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 16% | 0.162 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -54.5 | 177 | 172.3 | 63.5 | 0 | 0 | 0 | 111.8 | G171 F172 G173 Y177 T178 L179 A696 L700 | G171-L175 PolarHBondContact O-N 3.4Å; F172-L175 PolarHBondContact O-N 3.01Å; G173-L175 VanDerWaalsContact C-N 3.35Å; G173-L175 PolarHBondContact O-N 3.46Å; L175-Y177 PolarHBondContact O-N 2.89Å; L175-T178 PolarHBondContact O-N 2.94Å; L175-L179 HydrophobicContact CD1-CD1 3.78Å; L175-L179 HydrophobicContact CD1-CG 4.2Å; L175-L179 HydrophobicContact CG-CD1 4.24Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.42Å; L175-L179 VanDerWaalsContact O-N 3.08Å; L175-A696 HydrophobicContact CD1-CB 3.94Å; L175-L700 HydrophobicContact CD1-CB 4.34Å; L175-L700 HydrophobicContact CD2-CB 4.09Å; L175-L700 HydrophobicContact CD2-CD1 4.03Å |
| 176 | L | 95 | Very high | 92.9 | Very high | 78 Ų | 78 | 33.8 Ų | 33.8 | 41% | 0.408 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.8 | -47.8 | -175.3 | 179 | 62.7 | 0 | 0 | 0 | 111.9 | F172 G173 L180 | F172-L176 HydrophobicContact CE1-CD2 4.07Å; F172-L176 HydrophobicContact CZ-CD2 4.14Å; F172-L176 WeakPolarHBondContact O-CB 3.33Å; F172-L176 PolarHBondContact O-N 3.46Å; G173-L176 PolarHBondContact O-N 3.11Å; L176-L180 WeakPolarHBondContact O-CB 3.36Å; L176-L180 PolarHBondContact O-N 3.5Å |
| 177 | Y | 94.3 | Very high | 93 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.4 | -29.5 | -179.5 | -64.7 | -54.8 | 0 | 0 | 0 | 113.2 | S48 G51 I52 G173 L175 L179 L180 C181 L197 F200 | S48-Y177 WeakPolarHBondContact CA-OH 3.35Å; S48-Y177 PolarHBondContact OG-OH 2.88Å; G51-Y177 VanDerWaalsContact C-CD2 3.46Å; I52-Y177 HydrophobicContact CG1-CD2 4.31Å; I52-Y177 HydrophobicContact CG1-CE2 3.96Å; G173-Y177 WeakPolarHBondContact O-CB 3.37Å; G173-Y177 WeakPolarHBondContact O-CD2 3.49Å; G173-Y177 PolarHBondContact O-N 3.48Å; L175-Y177 PolarHBondContact O-N 2.89Å; Y177-L179 VanDerWaalsContact C-N 3.33Å; Y177-L180 HydrophobicContact CD1-CD2 4.26Å; Y177-L180 PolarHBondContact O-N 3.23Å; Y177-C181 WeakPolarHBondContact O-CB 3.32Å; Y177-C181 PolarHBondContact O-N 3.44Å; Y177-C181 PolarHBondContact O-SG 3.49Å; Y177-L197 HydrophobicContact CD1-CD2 3.16Å; Y177-L197 HydrophobicContact CD2-CD2 4.49Å; Y177-L197 HydrophobicContact CE1-CD2 3.8Å; Y177-L197 HydrophobicContact CG-CD2 3.58Å; Y177-F200 HydrophobicContact CE1-CB 3.96Å |
| 178 | T | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 172 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | L58 T174 L175 S182 N692 L695 A696 | L58-T178 HydrophobicContact CD2-CG2 4.3Å; T174-T178 WeakPolarHBondContact O-CB 3.16Å; T174-T178 PolarHBondContact O-N 3.41Å; T174-T178 PolarHBondContact O-OG1 3Å; L175-T178 PolarHBondContact O-N 2.94Å; T178-S182 VanDerWaalsContact O-CB 3.28Å; T178-S182 WeakPolarHBondContact O-CB 3.48Å; T178-S182 PolarHBondContact O-N 3.44Å; T178-S182 PolarHBondContact O-OG 3.19Å; T178-N692 WeakPolarHBondContact CG2-O 3.36Å; T178-L695 HydrophobicContact CG2-CB 3.95Å; T178-L695 HydrophobicContact CG2-CD2 4.43Å; T178-L695 HydrophobicContact CG2-CG 4.31Å; T178-L695 WeakPolarHBondContact OG1-CD2 3.42Å; T178-L695 WeakPolarHBondContact OG1-CG 3.34Å; T178-A696 HydrophobicContact CG2-CB 4.09Å |
| 179 | L | 93.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 46.9 Ų | 46.9 | 53% | 0.529 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64 | -46.9 | 177.7 | -67.4 | 174.3 | 0 | 0 | 0 | 111.6 | L175 Y177 Y183 A696 | L175-L179 HydrophobicContact CD1-CD1 3.78Å; L175-L179 HydrophobicContact CD1-CG 4.2Å; L175-L179 HydrophobicContact CG-CD1 4.24Å; L175-L179 WeakPolarHBondContact O-CG 3.37Å; L175-L179 PolarHBondContact O-N 3.42Å; L175-L179 VanDerWaalsContact O-N 3.08Å; Y177-L179 VanDerWaalsContact C-N 3.33Å; L179-Y183 WeakPolarHBondContact O-CB 3.4Å; L179-Y183 PolarHBondContact O-N 3Å; L179-Y183 VanDerWaalsContact O-N 3.11Å; L179-A696 HydrophobicContact CD2-CB 4.17Å; L179-A696 HydrophobicContact CG-CB 4.48Å |
| 180 | L | 93.6 | Very high | 93 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 177.1 | -179.3 | 65.3 | 0 | 0 | 0 | 111.9 | L176 Y177 Y183 M184 F200 | L176-L180 WeakPolarHBondContact O-CB 3.36Å; L176-L180 PolarHBondContact O-N 3.5Å; Y177-L180 HydrophobicContact CD1-CD2 4.26Å; Y177-L180 PolarHBondContact O-N 3.23Å; L180-Y183 PolarHBondContact O-N 3.04Å; L180-M184 HydrophobicContact CD1-CG 4.14Å; L180-M184 HydrophobicContact CG-CG 4.41Å; L180-M184 WeakPolarHBondContact O-CB 3.48Å; L180-M184 WeakPolarHBondContact O-CG 3.45Å; L180-M184 PolarHBondContact O-N 3.04Å; L180-F200 HydrophobicContact CD1-CE2 4.21Å; L180-F200 HydrophobicContact CD2-CD2 3.54Å; L180-F200 HydrophobicContact CD2-CE2 3.65Å; L180-F200 HydrophobicContact CD2-CG 4.23Å; L180-F200 HydrophobicContact CD2-CZ 4.41Å |
| 181 | C | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | -178.9 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | L58 F59 Y177 Y183 M184 I185 A193 | L58-C181 HydrophobicContact CD2-CB 3.87Å; F59-C181 HydrophobicContact CE1-CB 4.3Å; F59-C181 HydrophobicContact CZ-CB 4.4Å; Y177-C181 WeakPolarHBondContact O-CB 3.32Å; Y177-C181 PolarHBondContact O-N 3.44Å; Y177-C181 PolarHBondContact O-SG 3.49Å; C181-Y183 PolarHBondContact O-N 3.07Å; C181-M184 PolarHBondContact O-N 2.97Å; C181-I185 HydrophobicContact CB-CD1 4.45Å; C181-I185 WeakPolarHBondContact O-CB 3.18Å; C181-I185 WeakPolarHBondContact O-CD1 3.32Å; C181-I185 WeakPolarHBondContact O-CG1 3.49Å; C181-I185 PolarHBondContact O-N 3.02Å; C181-A193 HydrophobicContact CB-CB 4.48Å |
| 182 | S | 91.5 | Very high | 93.2 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -50.2 | 176.6 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | T178 M184 I185 E186 | T178-S182 VanDerWaalsContact O-CB 3.28Å; T178-S182 WeakPolarHBondContact O-CB 3.48Å; T178-S182 PolarHBondContact O-N 3.44Å; T178-S182 PolarHBondContact O-OG 3.19Å; S182-M184 PolarHBondContact O-N 3.33Å; S182-I185 PolarHBondContact O-N 2.66Å; S182-E186 WeakPolarHBondContact O-CB 3.39Å; S182-E186 PolarHBondContact O-N 3.3Å |
| 183 | Y | 92.4 | Very high | 93.2 | Very high | 134 Ų | 134 | 53.4 Ų | 53.4 | 53% | 0.525 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.7 | 179.6 | -91.4 | 0 | 0 | 0 | 112.8 | L179 L180 C181 N187 | L179-Y183 WeakPolarHBondContact O-CB 3.4Å; L179-Y183 PolarHBondContact O-N 3Å; L179-Y183 VanDerWaalsContact O-N 3.11Å; L180-Y183 PolarHBondContact O-N 3.04Å; C181-Y183 PolarHBondContact O-N 3.07Å; Y183-N187 WeakPolarHBondContact CD2-ND2 3.21Å; Y183-N187 WeakPolarHBondContact CE2-ND2 3.25Å; Y183-N187 WeakPolarHBondContact O-CB 3.31Å; Y183-N187 PolarHBondContact O-N 2.99Å; Y183-N187 PolarHBondContact O-ND2 3.08Å |
| 184 | M | 93.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.3 | -29.8 | 180 | -70.6 | -62.8 | -57.7 | 0 | 0 | 113.5 | L180 C181 S182 Y188 T189 M192 A193 S196 | L180-M184 HydrophobicContact CD1-CG 4.14Å; L180-M184 HydrophobicContact CG-CG 4.41Å; L180-M184 WeakPolarHBondContact O-CB 3.48Å; L180-M184 WeakPolarHBondContact O-CG 3.45Å; L180-M184 PolarHBondContact O-N 3.04Å; C181-M184 PolarHBondContact O-N 2.97Å; S182-M184 PolarHBondContact O-N 3.33Å; M184-Y188 HydrophobicContact CE-CD2 3.56Å; M184-Y188 HydrophobicContact CE-CE2 4Å; M184-Y188 HydrophobicContact CE-CG 4.28Å; M184-Y188 CarbonylContact O-C 3.56Å; M184-Y188 WeakPolarHBondContact O-CA 3.42Å; M184-Y188 WeakPolarHBondContact O-CB 3.48Å; M184-Y188 PolarHBondContact O-N 3.03Å; M184-Y188 VanDerWaalsContact O-N 3.12Å; M184-Y188 HydrophobicContact SD-CD2 3.88Å; M184-Y188 HydrophobicContact SD-CE2 4.01Å; M184-T189 PolarHBondContact O-N 2.98Å; M184-M192 HydrophobicContact CE-CB 3.72Å; M184-A193 HydrophobicContact CB-CB 3.72Å; M184-S196 WeakPolarHBondContact CE-OG 3.38Å |
| 185 | I | 92 | Very high | 93.3 | Very high | 49 Ų | 49 | 55.4 Ų | 55.4 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.8 | -44.3 | 174.5 | -71.5 | 163.1 | 0 | 0 | 0 | 109.8 | L58 F59 C181 S182 W190 A193 | L58-I185 HydrophobicContact CB-CD1 3.98Å; L58-I185 HydrophobicContact CD2-CD1 4.48Å; F59-I185 HydrophobicContact CD1-CD1 4.09Å; F59-I185 HydrophobicContact CE1-CD1 4.13Å; C181-I185 HydrophobicContact CB-CD1 4.45Å; C181-I185 WeakPolarHBondContact O-CB 3.18Å; C181-I185 WeakPolarHBondContact O-CD1 3.32Å; C181-I185 WeakPolarHBondContact O-CG1 3.49Å; C181-I185 PolarHBondContact O-N 3.02Å; S182-I185 PolarHBondContact O-N 2.66Å; I185-W190 HydrophobicContact CG1-CB 4.38Å; I185-A193 HydrophobicContact CG1-CB 4.02Å |
| 186 | E | 88.9 | Confident | 93.3 | Very high | 141 Ų | 141 | 55 Ų | 55 | 66% | 0.659 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.9 | -42.3 | -179.2 | -172.2 | -179.3 | 174.8 | 0 | 0 | 113 | S182 | S182-E186 WeakPolarHBondContact O-CB 3.39Å; S182-E186 PolarHBondContact O-N 3.3Å |
| 187 | N | 92.3 | Very high | 93.3 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -93 | -18.8 | -176.1 | -68.6 | -87 | 0 | 0 | 0 | 114.5 | Y183 | Y183-N187 WeakPolarHBondContact CD2-ND2 3.21Å; Y183-N187 WeakPolarHBondContact CE2-ND2 3.25Å; Y183-N187 WeakPolarHBondContact O-CB 3.31Å; Y183-N187 PolarHBondContact O-N 2.99Å; Y183-N187 PolarHBondContact O-ND2 3.08Å |
| 188 | Y | 91.1 | Very high | 93.3 | Very high | 144 Ų | 144 | 51 Ų | 51 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -133.3 | -100.9 | -177.8 | -58.5 | -82.8 | 0 | 0 | 0 | 111.3 | M184 | M184-Y188 HydrophobicContact CE-CD2 3.56Å; M184-Y188 HydrophobicContact CE-CE2 4Å; M184-Y188 HydrophobicContact CE-CG 4.28Å; M184-Y188 CarbonylContact O-C 3.56Å; M184-Y188 WeakPolarHBondContact O-CA 3.42Å; M184-Y188 WeakPolarHBondContact O-CB 3.48Å; M184-Y188 PolarHBondContact O-N 3.03Å; M184-Y188 VanDerWaalsContact O-N 3.12Å; M184-Y188 HydrophobicContact SD-CD2 3.88Å; M184-Y188 HydrophobicContact SD-CE2 4.01Å |
| 189 | T | 93 | Very high | 93.4 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | trans | -160.6 | 159.4 | -179.9 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | M184 R191 M192 A193 | M184-T189 PolarHBondContact O-N 2.98Å; T189-R191 PolarHBondContact O-N 3.01Å; T189-R191 VanDerWaalsContact O-N 3.16Å; T189-M192 PolarHBondContact O-N 3.41Å; T189-M192 PolarHBondContact OG1-N 3.4Å; T189-A193 PolarHBondContact O-N 2.95Å; T189-A193 VanDerWaalsContact O-N 3.17Å | ||
| 190 | W | 92.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.1 | -32.2 | 170.8 | 66.9 | -97.1 | 0 | 0 | 0 | 113.3 | F59 G62 L63 T66 F128 I185 A193 I194 | F59-W190 HydrophobicContact CD1-CB 4.19Å; G62-W190 PolarHBondContact O-NE1 3.45Å; L63-W190 HydrophobicContact CD2-CE3 4.18Å; L63-W190 HydrophobicContact CD2-CH2 3.75Å; L63-W190 HydrophobicContact CD2-CZ2 4.31Å; L63-W190 HydrophobicContact CD2-CZ3 3.67Å; L63-W190 HydrophobicContact CG-CZ3 4.48Å; T66-W190 HydrophobicContact CG2-CZ2 4.04Å; T66-W190 WeakPolarHBondContact OG1-CZ2 3.44Å; F128-W190 HydrophobicContact CE2-CZ3 4.09Å; I185-W190 HydrophobicContact CG1-CB 4.38Å; W190-A193 WeakPolarHBondContact O-CB 3.32Å; W190-A193 PolarHBondContact O-N 2.9Å; W190-I194 HydrophobicContact CE3-CD1 3.81Å; W190-I194 HydrophobicContact CZ3-CD1 3.98Å; W190-I194 PolarHBondContact O-N 2.83Å; W190-I194 VanDerWaalsContact O-N 3.11Å |
| 191 | R | 94.5 | Very high | 93.4 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 175.1 | -71.2 | -161.5 | 171.7 | 94.3 | -3.3 | 111.7 | V120 N123 T189 A193 I194 I195 | V120-R191 HydrophobicContact CG1-CB 3.52Å; V120-R191 HydrophobicContact CG1-CG 3.7Å; V120-R191 PolarHBondContact O-NE 3.24Å; N123-R191 PolarHBondContact OD1-NH2 2.88Å; T189-R191 PolarHBondContact O-N 3.01Å; T189-R191 VanDerWaalsContact O-N 3.16Å; R191-A193 VanDerWaalsContact C-N 3.35Å; R191-I194 PolarHBondContact O-N 3.08Å; R191-I195 WeakPolarHBondContact O-CG1 3.43Å; R191-I195 PolarHBondContact O-N 2.96Å |
| 192 | M | 94.1 | Very high | 93.5 | Very high | 92 Ų | 92 | 56 Ų | 56 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 177.4 | -67.8 | -59.7 | -164.9 | 0 | 0 | 111.8 | M184 T189 I194 I195 S196 | M184-M192 HydrophobicContact CE-CB 3.72Å; T189-M192 PolarHBondContact O-N 3.41Å; T189-M192 PolarHBondContact OG1-N 3.4Å; M192-I194 PolarHBondContact O-N 3.15Å; M192-I195 PolarHBondContact O-N 3.27Å; M192-I195 HydrophobicContact SD-CD1 4.39Å; M192-S196 PolarHBondContact O-N 3.43Å; M192-S196 PolarHBondContact O-OG 2.95Å |
| 193 | A | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F59 C181 M184 I185 T189 W190 R191 S196 L197 | F59-A193 HydrophobicContact CE1-CB 3.79Å; C181-A193 HydrophobicContact CB-CB 4.48Å; M184-A193 HydrophobicContact CB-CB 3.72Å; I185-A193 HydrophobicContact CG1-CB 4.02Å; T189-A193 PolarHBondContact O-N 2.95Å; T189-A193 VanDerWaalsContact O-N 3.17Å; W190-A193 WeakPolarHBondContact O-CB 3.32Å; W190-A193 PolarHBondContact O-N 2.9Å; R191-A193 VanDerWaalsContact C-N 3.35Å; A193-S196 PolarHBondContact O-N 3.25Å; A193-L197 WeakPolarHBondContact O-CG 3.49Å; A193-L197 PolarHBondContact O-N 2.89Å |
| 194 | I | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 176 | -65.5 | 175.7 | 0 | 0 | 0 | 111.5 | F59 M116 V120 F128 Y132 W190 R191 M192 S196 L197 A198 | F59-I194 HydrophobicContact CD1-CD1 4.48Å; F59-I194 HydrophobicContact CD1-CG1 4.14Å; F59-I194 HydrophobicContact CD2-CD1 4.29Å; F59-I194 HydrophobicContact CD2-CG1 4.18Å; F59-I194 HydrophobicContact CE1-CG1 3.98Å; F59-I194 HydrophobicContact CE2-CG1 4.02Å; F59-I194 HydrophobicContact CG-CD1 4.24Å; F59-I194 HydrophobicContact CG-CG1 4.24Å; F59-I194 HydrophobicContact CZ-CG1 3.92Å; M116-I194 HydrophobicContact CB-CG2 4.44Å; M116-I194 HydrophobicContact CE-CG2 4.44Å; V120-I194 HydrophobicContact CG2-CB 3.75Å; V120-I194 HydrophobicContact CG2-CD1 4.42Å; V120-I194 HydrophobicContact CG2-CG2 3.57Å; F128-I194 HydrophobicContact CE2-CD1 4.31Å; F128-I194 HydrophobicContact CZ-CD1 3.94Å; Y132-I194 HydrophobicContact CE2-CG2 4.41Å; W190-I194 HydrophobicContact CE3-CD1 3.81Å; W190-I194 HydrophobicContact CZ3-CD1 3.98Å; W190-I194 PolarHBondContact O-N 2.83Å; W190-I194 VanDerWaalsContact O-N 3.11Å; R191-I194 PolarHBondContact O-N 3.08Å; M192-I194 PolarHBondContact O-N 3.15Å; I194-S196 VanDerWaalsContact C-N 3.35Å; I194-L197 PolarHBondContact O-N 2.96Å; I194-A198 PolarHBondContact O-N 3.37Å |
| 195 | I | 95.7 | Very high | 93.6 | Very high | 43 Ų | 43 | 52.4 Ų | 52.4 | 22% | 0.221 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175 | -66.2 | 169.6 | 0 | 0 | 0 | 110.3 | V120 R191 M192 L197 A198 L199 | V120-I195 HydrophobicContact CG1-CD1 4.19Å; V120-I195 HydrophobicContact CG1-CG1 4.46Å; V120-I195 HydrophobicContact CG2-CG1 4.22Å; R191-I195 WeakPolarHBondContact O-CG1 3.43Å; R191-I195 PolarHBondContact O-N 2.96Å; M192-I195 PolarHBondContact O-N 3.27Å; M192-I195 HydrophobicContact SD-CD1 4.39Å; I195-L197 PolarHBondContact O-N 3.01Å; I195-A198 PolarHBondContact O-N 3.35Å; I195-L199 HydrophobicContact CG2-CD1 4.11Å; I195-L199 HydrophobicContact CG2-CG 4.48Å; I195-L199 WeakPolarHBondContact O-CG 3.21Å; I195-L199 PolarHBondContact O-N 2.84Å |
| 196 | S | 94.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 112 | M184 M192 A193 I194 A198 L199 F200 | M184-S196 WeakPolarHBondContact CE-OG 3.38Å; M192-S196 PolarHBondContact O-N 3.43Å; M192-S196 PolarHBondContact O-OG 2.95Å; A193-S196 PolarHBondContact O-N 3.25Å; I194-S196 VanDerWaalsContact C-N 3.35Å; S196-A198 VanDerWaalsContact C-N 3.32Å; S196-A198 PolarHBondContact O-N 2.94Å; S196-L199 PolarHBondContact O-N 3.26Å; S196-F200 WeakPolarHBondContact O-CD2 3.48Å; S196-F200 PolarHBondContact O-N 2.97Å |
| 197 | L | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -46.5 | 175 | -70.3 | -173.9 | 0 | 0 | 0 | 112.2 | I52 V55 F59 M116 Y177 A193 I194 I195 L199 F200 H201 | I52-L197 HydrophobicContact CG1-CB 4.49Å; I52-L197 HydrophobicContact CG1-CD2 4.49Å; V55-L197 HydrophobicContact CG2-CD1 3.87Å; F59-L197 HydrophobicContact CE2-CD1 4.02Å; F59-L197 HydrophobicContact CZ-CD1 3.7Å; M116-L197 HydrophobicContact CE-CB 3.67Å; M116-L197 HydrophobicContact CE-CD1 4.34Å; Y177-L197 HydrophobicContact CD1-CD2 3.16Å; Y177-L197 HydrophobicContact CD2-CD2 4.49Å; Y177-L197 HydrophobicContact CE1-CD2 3.8Å; Y177-L197 HydrophobicContact CG-CD2 3.58Å; A193-L197 WeakPolarHBondContact O-CG 3.49Å; A193-L197 PolarHBondContact O-N 2.89Å; I194-L197 PolarHBondContact O-N 2.96Å; I195-L197 PolarHBondContact O-N 3.01Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.92Å; L197-F200 PolarHBondContact O-N 3.38Å; L197-H201 WeakPolarHBondContact O-CB 3.3Å; L197-H201 PolarHBondContact O-N 3.25Å |
| 198 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S113 M116 I117 I194 I195 S196 | S113-A198 VanDerWaalsContact CB-O 3.29Å; S113-A198 WeakPolarHBondContact CB-O 3.28Å; S113-A198 PolarHBondContact OG-O 3.01Å; M116-A198 HydrophobicContact CB-CB 3.72Å; M116-A198 HydrophobicContact CE-CB 4.42Å; M116-A198 HydrophobicContact SD-CB 4.46Å; I117-A198 HydrophobicContact CD1-CB 4.13Å; I117-A198 HydrophobicContact CG1-CB 3.64Å; I194-A198 PolarHBondContact O-N 3.37Å; I195-A198 PolarHBondContact O-N 3.35Å; S196-A198 VanDerWaalsContact C-N 3.32Å; S196-A198 PolarHBondContact O-N 2.94Å |
| 199 | L | 95.3 | Very high | 93.4 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.8 | -45.7 | 174.8 | -67.7 | 173.8 | 0 | 0 | 0 | 111.7 | I117 I195 S196 L197 H201 L202 | I117-L199 HydrophobicContact CD1-CD2 4.48Å; I195-L199 HydrophobicContact CG2-CD1 4.11Å; I195-L199 HydrophobicContact CG2-CG 4.48Å; I195-L199 WeakPolarHBondContact O-CG 3.21Å; I195-L199 PolarHBondContact O-N 2.84Å; S196-L199 PolarHBondContact O-N 3.26Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.92Å; L199-H201 PolarHBondContact O-N 3.21Å; L199-L202 HydrophobicContact CD2-CD1 4.41Å; L199-L202 WeakPolarHBondContact O-CB 3.42Å; L199-L202 PolarHBondContact O-N 3.01Å; L199-L202 VanDerWaalsContact O-N 3.14Å |
| 200 | F | 94 | Very high | 93 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.7 | -29.1 | 176.7 | -88.9 | -84.2 | 0 | 0 | 0 | 112.8 | Y177 L180 S196 L197 L202 N203 | Y177-F200 HydrophobicContact CE1-CB 3.96Å; L180-F200 HydrophobicContact CD1-CE2 4.21Å; L180-F200 HydrophobicContact CD2-CD2 3.54Å; L180-F200 HydrophobicContact CD2-CE2 3.65Å; L180-F200 HydrophobicContact CD2-CG 4.23Å; L180-F200 HydrophobicContact CD2-CZ 4.41Å; S196-F200 WeakPolarHBondContact O-CD2 3.48Å; S196-F200 PolarHBondContact O-N 2.97Å; L197-F200 PolarHBondContact O-N 3.38Å; F200-L202 PolarHBondContact O-N 2.94Å; F200-N203 WeakPolarHBondContact O-CB 3.26Å; F200-N203 PolarHBondContact O-N 3.49Å; F200-N203 PolarHBondContact O-ND2 3.05Å |
| 201 | H | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -25.9 | 174.9 | -171.6 | -116.8 | 0 | 0 | 0 | 113.4 | H49 I52 S113 L197 L199 N203 V204 | H49-H201 AromaticContact CD2-NE2 3.4Å; H49-H201 PolarHBondContact CD2-NE2 3.07Å; H49-H201 AromaticContact NE2-NE2 3.73Å; I52-H201 HydrophobicContact CD1-CB 3.8Å; I52-H201 VanDerWaalsContact CD1-CD2 3.49Å; I52-H201 WeakPolarHBondContact CD1-CD2 3.49Å; S113-H201 PolarHBondContact OG-ND1 3.01Å; L197-H201 WeakPolarHBondContact O-CB 3.3Å; L197-H201 PolarHBondContact O-N 3.25Å; L199-H201 PolarHBondContact O-N 3.21Å; H201-N203 PolarHBondContact O-N 3.2Å; H201-N203 VanDerWaalsContact O-N 3.12Å; H201-V204 WeakPolarHBondContact O-CB 3.36Å; H201-V204 VanDerWaalsContact O-CG2 3.31Å; H201-V204 WeakPolarHBondContact O-CG2 3.37Å; H201-V204 PolarHBondContact O-N 3.17Å |
| 202 | L | 95 | Very high | 91.9 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.9 | 177.2 | -62.6 | 173.8 | 0 | 0 | 0 | 113 | V109 M110 S113 L199 F200 V204 I205 | V109-L202 HydrophobicContact CG1-CD2 4.44Å; M110-L202 HydrophobicContact SD-CD2 3.9Å; S113-L202 WeakPolarHBondContact OG-CD2 3.35Å; L199-L202 HydrophobicContact CD2-CD1 4.41Å; L199-L202 WeakPolarHBondContact O-CB 3.42Å; L199-L202 PolarHBondContact O-N 3.01Å; L199-L202 VanDerWaalsContact O-N 3.14Å; F200-L202 PolarHBondContact O-N 2.94Å; L202-V204 PolarHBondContact O-N 3.23Å; L202-V204 VanDerWaalsContact O-N 3.12Å; L202-I205 HydrophobicContact CD2-CD1 4.35Å; L202-I205 WeakPolarHBondContact O-CB 3.47Å; L202-I205 PolarHBondContact O-N 3.41Å |
| 203 | N | 93.1 | Very high | 91.2 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.8 | 174 | -67.3 | -62.9 | 0 | 0 | 0 | 113.6 | F200 H201 I205 P206 F207 | F200-N203 WeakPolarHBondContact O-CB 3.26Å; F200-N203 PolarHBondContact O-N 3.49Å; F200-N203 PolarHBondContact O-ND2 3.05Å; H201-N203 PolarHBondContact O-N 3.2Å; H201-N203 VanDerWaalsContact O-N 3.12Å; N203-I205 PolarHBondContact O-N 3.24Å; N203-P206 VanDerWaalsContact O-CD 3.23Å; N203-P206 WeakPolarHBondContact O-CD 3.46Å; N203-P206 VanDerWaalsContact O-CG 3.29Å; N203-P206 WeakPolarHBondContact O-CG 3.34Å; N203-F207 HydrophobicContact CB-CE2 4.32Å; N203-F207 WeakPolarHBondContact O-CD2 3.34Å; N203-F207 WeakPolarHBondContact O-CE2 3.44Å |
| 204 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -26.8 | 172.6 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | M45 V109 H201 L202 S208 | M45-V204 HydrophobicContact CE-CG1 4.08Å; M45-V204 HydrophobicContact CG-CG1 4.23Å; V109-V204 HydrophobicContact CG1-CB 4.27Å; V109-V204 HydrophobicContact CG2-CB 3.85Å; V109-V204 HydrophobicContact CG2-CG1 3.57Å; H201-V204 WeakPolarHBondContact O-CB 3.36Å; H201-V204 VanDerWaalsContact O-CG2 3.31Å; H201-V204 WeakPolarHBondContact O-CG2 3.37Å; H201-V204 PolarHBondContact O-N 3.17Å; L202-V204 PolarHBondContact O-N 3.23Å; L202-V204 VanDerWaalsContact O-N 3.12Å; V204-S208 WeakPolarHBondContact O-CB 3.43Å; V204-S208 PolarHBondContact O-N 3.19Å; V204-S208 PolarHBondContact O-OG 2.96Å |
| 205 | I | 93.1 | Very high | 88.9 | Confident | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -57.6 | -178.7 | -67.5 | 168 | 0 | 0 | 0 | 113 | I106 V109 M110 L202 N203 F207 S208 L209 | I106-I205 HydrophobicContact CG1-CG2 4.17Å; V109-I205 HydrophobicContact CB-CG1 4.16Å; V109-I205 HydrophobicContact CG1-CD1 4.15Å; V109-I205 HydrophobicContact CG1-CG1 3.87Å; M110-I205 HydrophobicContact CE-CD1 3.86Å; M110-I205 HydrophobicContact CG-CD1 4.34Å; M110-I205 HydrophobicContact SD-CD1 4.43Å; L202-I205 HydrophobicContact CD2-CD1 4.35Å; L202-I205 WeakPolarHBondContact O-CB 3.47Å; L202-I205 PolarHBondContact O-N 3.41Å; N203-I205 PolarHBondContact O-N 3.24Å; I205-F207 VanDerWaalsContact C-N 3.33Å; I205-F207 PolarHBondContact O-N 3.11Å; I205-S208 WeakPolarHBondContact O-CB 3.5Å; I205-S208 PolarHBondContact O-N 3.49Å; I205-L209 HydrophobicContact CG2-CD1 4.34Å; I205-L209 WeakPolarHBondContact O-CG 3.32Å; I205-L209 PolarHBondContact O-N 3.48Å; I205-L209 VanDerWaalsContact O-N 3.08Å |
| 206 | P | 92.8 | Very high | 87.2 | Confident | 62 Ų | 62 | 49 Ų | 49 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 178.9 | 21.2 | -33.3 | 0 | 0 | 0 | 113 | N203 L209 L210 | N203-P206 VanDerWaalsContact O-CD 3.23Å; N203-P206 WeakPolarHBondContact O-CD 3.46Å; N203-P206 VanDerWaalsContact O-CG 3.29Å; N203-P206 WeakPolarHBondContact O-CG 3.34Å; P206-L209 PolarHBondContact O-N 2.98Å; P206-L210 WeakPolarHBondContact O-CG 3.39Å; P206-L210 PolarHBondContact O-N 2.78Å |
| 207 | F | 91.4 | Very high | 85.2 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 175.6 | -57.3 | -46.6 | 0 | 0 | 0 | 112.2 | C41 L44 M45 N203 I205 L209 L210 H211 | C41-F207 HydrophobicContact CB-CB 4.26Å; L44-F207 HydrophobicContact CB-CD2 3.94Å; L44-F207 HydrophobicContact CB-CE2 3.85Å; L44-F207 HydrophobicContact CB-CG 4.45Å; L44-F207 HydrophobicContact CB-CZ 4.27Å; L44-F207 HydrophobicContact CD1-CD1 4.28Å; L44-F207 HydrophobicContact CD1-CE1 3.63Å; L44-F207 HydrophobicContact CD1-CE2 3.92Å; L44-F207 HydrophobicContact CD1-CZ 3.44Å; L44-F207 VanDerWaalsContact CD1-CZ 3.44Å; L44-F207 HydrophobicContact CG-CE2 4.47Å; L44-F207 HydrophobicContact CG-CZ 4.44Å; M45-F207 HydrophobicContact CG-CB 3.52Å; M45-F207 HydrophobicContact CG-CD2 4.49Å; M45-F207 HydrophobicContact CG-CG 4.42Å; M45-F207 HydrophobicContact SD-CB 3.84Å; N203-F207 HydrophobicContact CB-CE2 4.32Å; N203-F207 WeakPolarHBondContact O-CD2 3.34Å; N203-F207 WeakPolarHBondContact O-CE2 3.44Å; I205-F207 VanDerWaalsContact C-N 3.33Å; I205-F207 PolarHBondContact O-N 3.11Å; F207-L209 VanDerWaalsContact C-N 3.31Å; F207-L209 PolarHBondContact O-N 3.27Å; F207-L210 PolarHBondContact O-N 3.48Å; F207-H211 WeakPolarHBondContact O-CB 3.47Å; F207-H211 PolarHBondContact O-N 3.41Å |
| 208 | S | 86.9 | Confident | 82.7 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | M45 V204 I205 L210 H211 | M45-S208 WeakPolarHBondContact CE-OG 3.43Å; V204-S208 WeakPolarHBondContact O-CB 3.43Å; V204-S208 PolarHBondContact O-N 3.19Å; V204-S208 PolarHBondContact O-OG 2.96Å; I205-S208 WeakPolarHBondContact O-CB 3.5Å; I205-S208 PolarHBondContact O-N 3.49Å; S208-L210 VanDerWaalsContact C-N 3.34Å; S208-H211 PolarHBondContact O-N 3.31Å |
| 209 | L | 87.9 | Confident | 80.3 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 41% | 0.414 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.6 | -33.7 | 177.2 | -72.3 | 172.8 | 0 | 0 | 0 | 112.7 | K102 I106 I205 P206 F207 | K102-L209 HydrophobicContact CD-CD2 4.39Å; I106-L209 HydrophobicContact CD1-CD2 4.11Å; I205-L209 HydrophobicContact CG2-CD1 4.34Å; I205-L209 WeakPolarHBondContact O-CG 3.32Å; I205-L209 PolarHBondContact O-N 3.48Å; I205-L209 VanDerWaalsContact O-N 3.08Å; P206-L209 PolarHBondContact O-N 2.98Å; F207-L209 VanDerWaalsContact C-N 3.31Å; F207-L209 PolarHBondContact O-N 3.27Å |
| 210 | L | 86.2 | Confident | 77.7 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.4 | -32.4 | 174.4 | -68.2 | 168.6 | 0 | 0 | 0 | 112.3 | K38 P206 F207 S208 K212 | K38-L210 PolarHBondContact NZ-O 2.93Å; P206-L210 WeakPolarHBondContact O-CG 3.39Å; P206-L210 PolarHBondContact O-N 2.78Å; F207-L210 PolarHBondContact O-N 3.48Å; S208-L210 VanDerWaalsContact C-N 3.34Å; L210-K212 PolarHBondContact O-N 2.96Å |
| 211 | H | 81.1 | Confident | 75.2 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 5% | 0.046 | 32% | 0.317 | C | S | . | . | trans | -77.3 | 58.9 | -178.5 | -154.6 | 149 | 0 | 0 | 0 | 113.2 | M45 I150 F207 S208 | M45-H211 HydrophobicContact SD-CB 4.19Å; I150-H211 WeakPolarHBondContact CB-NE2 3.38Å; I150-H211 WeakPolarHBondContact CG2-CD2 3.45Å; I150-H211 VanDerWaalsContact CG2-NE2 3.33Å; I150-H211 WeakPolarHBondContact CG2-NE2 3.37Å; F207-H211 WeakPolarHBondContact O-CB 3.47Å; F207-H211 PolarHBondContact O-N 3.41Å; S208-H211 PolarHBondContact O-N 3.31Å | ||
| 212 | K | 81 | Confident | 72.5 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 142.3 | 173 | -57 | -179.9 | -172.4 | 175.4 | 0 | 111.5 | Y154 L210 | Y154-K212 WeakPolarHBondContact CE2-O 3.28Å; Y154-K212 PolarHBondContact OH-O 3.02Å; L210-K212 PolarHBondContact O-N 2.96Å |
| 213 | P | 79 | Confident | 70 | Confident | 74 Ų | 74 | 58 Ų | 58 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 152.6 | 168.7 | 30.4 | -35.3 | 0 | 0 | 0 | 111.8 | I150 | I150-P213 HydrophobicContact CD1-CB 4.45Å; I150-P213 HydrophobicContact CG1-CB 4.28Å |
| 214 | L | 74.7 | Confident | 67.4 | Low | 24 Ų | 24 | 54.7 Ų | 54.7 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 138.1 | 170.8 | -160.6 | 70.7 | 0 | 0 | 0 | 109.3 | R26 C29 I30 G153 Y154 | R26-L214 HydrophobicContact CG-CD1 4.45Å; R26-L214 HydrophobicContact CG-CD2 3.98Å; R26-L214 HydrophobicContact CG-CG 4.06Å; C29-L214 HydrophobicContact CB-CD1 3.8Å; I30-L214 HydrophobicContact CD1-CD2 4.26Å; I30-L214 HydrophobicContact CG1-CD2 4.12Å; G153-L214 WeakPolarHBondContact O-CD2 3.31Å; Y154-L214 HydrophobicContact CD1-CD1 4.21Å; Y154-L214 HydrophobicContact CE1-CD1 3.74Å |
| 215 | P | 68 | Low | 64.8 | Low | 36 Ų | 36 | 58.3 Ų | 58.3 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 148.7 | 177.2 | 24.9 | -35.2 | 0 | 0 | 0 | 110.9 | I22 R26 | I22-P215 HydrophobicContact CG2-CB 4.13Å; I22-P215 HydrophobicContact CG2-CG 4.19Å; R26-P215 HydrophobicContact CG-CG 4.44Å; R26-P215 VanDerWaalsContact CZ-O 3.24Å; R26-P215 PolarHBondContact NE-O 3.05Å; R26-P215 PolarHBondContact NH2-O 3.41Å |
| 216 | P | 60.4 | Low | 62 | Low | 106 Ų | 106 | 57.9 Ų | 57.9 | 69% | 0.688 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 150.6 | 178 | 26.9 | -34.7 | 0 | 0 | 0 | 110.8 | I22 | I22-P216 WeakPolarHBondContact CG2-O 3.43Š|
| 217 | E | 52.2 | Low | 59.2 | Low | 100 Ų | 100 | 56 Ų | 56 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 137.2 | 174.5 | -159.4 | 168.9 | 152.8 | 0 | 0 | 109.4 | R26 Q281 | R26-E217 IonicContact NH1-OE2 3.91Å; E217-Q281 PolarHBondContact OE1-NE2 3.42Å; E217-Q281 PolarHBondContact OE2-NE2 3Å |
| 218 | P | 42.8 | Very low | 56.5 | Low | 32 Ų | 32 | 58 Ų | 58 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 138.4 | 178.6 | 27.3 | -33.3 | 0 | 0 | 0 | 110.5 | P19 L23 | P19-P218 HydrophobicContact CB-CB 3.66Å; P19-P218 HydrophobicContact CB-CG 4.08Å; L23-P218 HydrophobicContact CD1-CG 3.89Å; L23-P218 HydrophobicContact CD2-CG 3.87Å; L23-P218 HydrophobicContact CG-CG 3.67Å |
| 219 | I | 43.2 | Very low | 53.9 | Low | 59 Ų | 59 | 58.7 Ų | 58.7 | 30% | 0.303 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.4 | 169.5 | -53.7 | 159.1 | 0 | 0 | 0 | 107.9 | L449 A452 V453 R456 | I219-L449 HydrophobicContact CD1-CD1 3.74Å; I219-L449 HydrophobicContact CG1-CD1 3.79Å; I219-L449 HydrophobicContact CG2-CD1 3.95Å; I219-A452 HydrophobicContact CD1-CB 3.75Å; I219-V453 HydrophobicContact CG2-CG2 4.14Å; I219-R456 VanDerWaalsContact C-NH1 3.35Å; I219-R456 PolarHBondContact O-NH1 3.39Å |
| 220 | S | 41.2 | Very low | 51.2 | Low | 68 Ų | 68 | 57.7 Ų | 57.7 | 48% | 0.476 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 156.6 | 171.9 | 35.1 | 0 | 0 | 0 | 0 | 112.6 | R456 | S220-R456 PolarHBondContact O-NH1 3.47Š|
| 221 | E | 42.2 | Very low | 48.5 | Very low | 146 Ų | 146 | 57.1 Ų | 57.1 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 147.8 | 171.7 | -67.6 | -172.7 | 176.8 | 0 | 0 | 110.3 | ||
| 222 | P | 36.6 | Very low | 46.1 | Very low | 23 Ų | 23 | 60.1 Ų | 60.1 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 138.2 | 177.2 | 29 | -35 | 0 | 0 | 0 | 110.1 | G285 R456 A457 | P222-G285 CarbonylContact C-O 3.33Å; P222-G285 VanDerWaalsContact CA-O 3.24Å; P222-G285 WeakPolarHBondContact CA-O 3.39Å; P222-G285 WeakPolarHBondContact CB-O 3.43Å; P222-R456 HydrophobicContact CG-CB 4.09Å; P222-A457 HydrophobicContact CB-CB 4.22Å; P222-A457 HydrophobicContact CG-CB 4.38Å |
| 223 | V | 42.5 | Very low | 43.5 | Very low | 25 Ų | 25 | 57.8 Ų | 57.8 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.5 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | L225 G285 V286 V287 | V223-L225 HydrophobicContact CG1-CD2 3.68Å; V223-L225 HydrophobicContact CG1-CG 3.91Å; V223-G285 PolarHBondContact N-O 2.97Å; V223-V286 CarbonylContact O-C 3.58Å; V223-V286 VanDerWaalsContact O-CA 3.27Å; V223-V286 WeakPolarHBondContact O-CA 3.3Å; V223-V287 PolarHBondContact O-N 2.8Å |
| 224 | I | 38.3 | Very low | 41 | Very low | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.3 | 162.4 | -57.8 | 150.5 | 0 | 0 | 0 | 105.7 | L226 V287 K460 I464 | I224-L226 HydrophobicContact CG2-CD2 3.9Å; I224-L226 HydrophobicContact CG2-CG 4.2Å; I224-V287 HydrophobicContact CG1-CB 4.5Å; I224-K460 HydrophobicContact CD1-CD 4.34Å; I224-K460 HydrophobicContact CD1-CG 3.85Å; I224-K460 HydrophobicContact CG1-CG 4.18Å; I224-I464 HydrophobicContact CD1-CD1 3.68Å; I224-I464 HydrophobicContact CG1-CD1 4Å |
| 225 | L | 38.6 | Very low | 38.8 | Very low | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | trans | -96.3 | 113.4 | 168.1 | -70.7 | -179.5 | 0 | 0 | 0 | 107.2 | V223 V286 V287 F309 | V223-L225 HydrophobicContact CG1-CD2 3.68Å; V223-L225 HydrophobicContact CG1-CG 3.91Å; L225-V286 HydrophobicContact CB-CG1 3.95Å; L225-V286 HydrophobicContact CD1-CG1 3.78Å; L225-V286 HydrophobicContact CD1-CG2 4.04Å; L225-V286 HydrophobicContact CG-CG1 3.91Å; L225-V286 HydrophobicContact CG-CG2 4.48Å; L225-V287 PolarHBondContact N-O 2.94Å; L225-F309 HydrophobicContact CD1-CD2 3.76Å; L225-F309 HydrophobicContact CD1-CE2 4.06Å | ||
| 226 | L | 35 | Very low | 36.9 | Very low | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | trans | -85.3 | 141.6 | 171.6 | -67.1 | -177.8 | 0 | 0 | 0 | 110.2 | I224 N228 V614 A620 L623 L624 | I224-L226 HydrophobicContact CG2-CD2 3.9Å; I224-L226 HydrophobicContact CG2-CG 4.2Å; L226-N228 PolarHBondContact O-N 2.7Å; L226-N228 VanDerWaalsContact O-N 3.17Å; L226-V614 HydrophobicContact CD1-CG2 3.35Å; L226-V614 HydrophobicContact CG-CG2 4.32Å; L226-A620 HydrophobicContact CD1-CB 4.08Å; L226-A620 HydrophobicContact CD2-CB 4.19Å; L226-L623 HydrophobicContact CB-CD2 4.41Å; L226-L623 HydrophobicContact CD1-CB 4Å; L226-L623 HydrophobicContact CD1-CD2 3.85Å; L226-L624 HydrophobicContact CD2-CD1 4.36Å; L226-L624 HydrophobicContact CD2-CD2 4.49Å; L226-L624 HydrophobicContact CD2-CG 4.2Å | ||
| 227 | P | 33.2 | Very low | 35.3 | Very low | 22 Ų | 22 | 67.7 Ų | 67.7 | 14% | 0.143 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 122.1 | 169.3 | -26.5 | 34.7 | 0 | 0 | 0 | 111.6 | N308 L624 K627 | P227-N308 WeakPolarHBondContact CG-ND2 3.46Å; P227-L624 HydrophobicContact CG-CD2 3.83Å; P227-K627 VanDerWaalsContact O-CD 3.3Å; P227-K627 WeakPolarHBondContact O-CD 3.37Å; P227-K627 PolarHBondContact O-NZ 3.01Å |
| 228 | N | 34.9 | Very low | 34 | Very low | 93 Ų | 93 | 71 Ų | 71 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 50 | 160.8 | -59.9 | -27.8 | 0 | 0 | 0 | 117.9 | L226 K627 | L226-N228 PolarHBondContact O-N 2.7Å; L226-N228 VanDerWaalsContact O-N 3.17Å; N228-K627 VanDerWaalsContact C-NZ 3.27Å; N228-K627 HydrophobicContact CB-CB 4.09Å; N228-K627 HydrophobicContact CB-CD 3.97Å; N228-K627 HydrophobicContact CB-CG 4.19Å; N228-K627 WeakPolarHBondContact O-CD 3.25Å; N228-K627 WeakPolarHBondContact O-CE 3.36Å; N228-K627 PolarHBondContact O-NZ 2.88Å |
| 229 | D | 32.3 | Very low | 33.3 | Very low | 22 Ų | 22 | 74.8 Ų | 74.8 | 12% | 0.118 | 43% | 0.431 | C | S | . | . | trans | -52.8 | 125.9 | 178.2 | -147.1 | -59.1 | 0 | 0 | 0 | 114.9 | V231 A232 T612 L623 K627 | D229-V231 PolarHBondContact O-N 3.35Å; D229-V231 PolarHBondContact OD1-N 3.42Å; D229-A232 WeakPolarHBondContact O-CB 3.09Å; D229-A232 PolarHBondContact O-N 2.8Å; D229-A232 VanDerWaalsContact O-N 3.16Å; D229-T612 VanDerWaalsContact CG-OG1 3.27Å; D229-T612 WeakPolarHBondContact OD2-CB 3.47Å; D229-T612 VanDerWaalsContact OD2-CG2 3.28Å; D229-T612 WeakPolarHBondContact OD2-CG2 3.39Å; D229-T612 PolarHBondContact OD2-OG1 3.38Å; D229-L623 HydrophobicContact CB-CD2 4.48Å; D229-L623 VanDerWaalsContact OD2-CD2 3.24Å; D229-L623 WeakPolarHBondContact OD2-CD2 3.14Å; D229-K627 VanDerWaalsContact CA-NZ 3.34Å | ||
| 230 | P | 31.7 | Very low | 32.6 | Very low | 57 Ų | 57 | 78.5 Ų | 78.5 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.7 | -15.6 | -172 | -9.2 | 27.8 | 0 | 0 | 0 | 112.7 | A232 S233 T234 | P230-A232 VanDerWaalsContact C-N 3.29Å; P230-S233 WeakPolarHBondContact CA-OG 3.36Å; P230-S233 PolarHBondContact O-N 3Å; P230-S233 PolarHBondContact O-OG 3.35Å; P230-S233 VanDerWaalsContact O-OG 3.12Å; P230-T234 VanDerWaalsContact O-CB 3.32Å; P230-T234 WeakPolarHBondContact O-CB 3.33Å; P230-T234 PolarHBondContact O-N 3.49Å; P230-T234 PolarHBondContact O-OG1 2.81Å |
| 231 | V | 29.8 | Very low | 31.9 | Very low | 84 Ų | 84 | 81 Ų | 81 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.9 | -27.4 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | D229 | D229-V231 PolarHBondContact O-N 3.35Å; D229-V231 PolarHBondContact OD1-N 3.42Å |
| 232 | A | 29.8 | Very low | 31.2 | Very low | 72 Ų | 72 | 77.7 Ų | 77.7 | 60% | 0.595 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.9 | -36.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D229 P230 | D229-A232 WeakPolarHBondContact O-CB 3.09Å; D229-A232 PolarHBondContact O-N 2.8Å; D229-A232 VanDerWaalsContact O-N 3.16Å; P230-A232 VanDerWaalsContact C-N 3.29Å |
| 233 | S | 26.4 | Very low | 30.7 | Very low | 66 Ų | 66 | 82.1 Ų | 82.1 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -82.8 | -28.6 | 178.5 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | P230 I235 C236 | P230-S233 WeakPolarHBondContact CA-OG 3.36Å; P230-S233 PolarHBondContact O-N 3Å; P230-S233 PolarHBondContact O-OG 3.35Å; P230-S233 VanDerWaalsContact O-OG 3.12Å; S233-I235 PolarHBondContact O-N 3.05Å; S233-C236 PolarHBondContact O-N 3.21Å |
| 234 | T | 27.6 | Very low | 30 | Very low | 73 Ų | 73 | 85.7 Ų | 85.7 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.5 | -18 | -179.7 | -58 | 0 | 0 | 0 | 0 | 113.6 | P230 | P230-T234 VanDerWaalsContact O-CB 3.32Å; P230-T234 WeakPolarHBondContact O-CB 3.33Å; P230-T234 PolarHBondContact O-N 3.49Å; P230-T234 PolarHBondContact O-OG1 2.81Å |
| 235 | I | 27.7 | Very low | 29.5 | Very low | 136 Ų | 136 | 91.8 Ų | 91.8 | 70% | 0.697 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -25.3 | 172.6 | -63.2 | 177.2 | 0 | 0 | 0 | 111.6 | S233 L237 | S233-I235 PolarHBondContact O-N 3.05Å; I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 3.23Å |
| 236 | C | 28.9 | Very low | 29 | Very low | 94 Ų | 94 | 93.7 Ų | 93.7 | 64% | 0.635 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.3 | -176.9 | -66.8 | 0 | 0 | 0 | 0 | 115 | S233 | S233-C236 PolarHBondContact O-N 3.21Š|
| 237 | L | 25.6 | Very low | 28.5 | Very low | 144 Ų | 144 | 99.9 Ų | 99.9 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 11.1 | -172.1 | -101.8 | 160.2 | 0 | 0 | 0 | 115.3 | I235 | I235-L237 VanDerWaalsContact C-N 3.34Å; I235-L237 PolarHBondContact O-N 3.23Å |
| 238 | K | 26.2 | Very low | 28.3 | Very low | 170 Ų | 170 | 107.3 Ų | 107.3 | 74% | 0.739 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -118.4 | 23.4 | -171.5 | -97 | 179.5 | 177.2 | 173.6 | 0 | 117 | ||
| 239 | S | 27.6 | Very low | 27.8 | Very low | 111 Ų | 111 | 107.2 Ų | 107.2 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -131.2 | 7.9 | 175.1 | 59 | 0 | 0 | 0 | 0 | 116.2 | ||
| 240 | V | 27.9 | Very low | 27.5 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -114.5 | 5.4 | -178.2 | -172.3 | 0 | 0 | 0 | 0 | 113 | ||
| 241 | T | 27.3 | Very low | 27.2 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | -125.8 | 68.5 | -175.2 | 44.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 242 | G | 27.2 | Very low | 26.9 | Very low | 75 Ų | 75 | 119.2 Ų | 119.2 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | -114.7 | 105 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 243 | P | 26.1 | Very low | 26.8 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | -84.6 | 175.8 | 167.2 | 39.2 | -36.1 | 0 | 0 | 0 | 109.9 | ||||
| 244 | P | 27.1 | Very low | 26.7 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | cis | -135.7 | -164.4 | 4.3 | 38.6 | -17.5 | 0 | 0 | 0 | 114.3 | ||||
| 245 | N | 29.3 | Very low | 26.5 | Very low | 136 Ų | 136 | 125 Ų | 125 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 70.6 | 115.7 | 161.1 | -52.2 | -16.1 | 0 | 0 | 0 | 116.9 | ||||
| 246 | T | 26.6 | Very low | 26.4 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | 62.8 | 108.2 | 61.4 | 70.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 247 | N | 24.7 | Very low | 26.2 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 151.3 | 153 | -58.7 | -8.1 | 0 | 0 | 0 | 120 | ||||
| 248 | E | 29.9 | Very low | 26.2 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | 75.3 | 104.3 | 170.2 | -53.9 | -176.8 | -171.2 | 0 | 0 | 115.7 | ||||
| 249 | S | 23.3 | Very low | 26.2 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | 88.4 | 146.3 | 42 | 82.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 250 | F | 26 | Very low | 26.1 | Very low | 187 Ų | 187 | 120.9 Ų | 120.9 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | trans | 70.1 | 148 | 178.6 | -69 | -100.8 | 0 | 0 | 0 | 117.6 | ||||
| 251 | I | 26.1 | Very low | 26.3 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | cis | -162.8 | 140.5 | -33.8 | -127.6 | -173.1 | 0 | 0 | 0 | 107.4 | ||||
| 252 | S | 23.4 | Very low | 26.3 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 45.7 | 174.1 | 158.1 | 83.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 253 | T | 26.9 | Very low | 26.3 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | cis | -154 | 138.7 | -0.7 | -12.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 254 | T | 24.4 | Very low | 26.6 | Very low | 135 Ų | 135 | 117.6 Ų | 117.6 | 83% | 0.828 | 71% | 0.708 | S | S | * | * | trans | 32.4 | 124.2 | 144.3 | 56.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 255 | G | 24.9 | Very low | 26.6 | Very low | 86 Ų | 86 | 118 Ų | 118 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | trans | 122.4 | 124 | 134.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 256 | G | 24.6 | Very low | 26.7 | Very low | 77 Ų | 77 | 116.2 Ų | 116.2 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | trans | 132.5 | 86.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 257 | S | 24.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 112 Ų | 112 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | trans | -76.8 | 114.9 | 173.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 258 | I | 26.9 | Very low | 26.9 | Very low | 164 Ų | 164 | 112 Ų | 112 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | trans | -135.8 | 140.4 | 169.4 | -64.6 | -175.2 | 0 | 0 | 0 | 108.6 | ||||
| 259 | P | 25.6 | Very low | 26.9 | Very low | 86 Ų | 86 | 108.6 Ų | 108.6 | 56% | 0.558 | 64% | 0.642 | S | S | * | * | trans | -114.2 | 150 | -135 | 40.5 | -34.5 | 0 | 0 | 0 | 117.5 | S261 | P259-S261 WeakPolarHBondContact O-CB 3.35Å; P259-S261 PolarHBondContact O-N 3.48Å; P259-S261 PolarHBondContact O-OG 3.04Å | ||
| 260 | T | 26.1 | Very low | 27.1 | Very low | 118 Ų | 118 | 111.1 Ų | 111.1 | 72% | 0.724 | 64% | 0.641 | S | S | * | * | trans | 33.9 | 50.2 | 141.2 | 65.2 | 0 | 0 | 0 | 0 | 119 | N264 | T260-N264 PolarHBondContact O-ND2 3.42Š| ||
| 261 | S | 30.4 | Very low | 27.2 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 58% | 0.58 | 61% | 0.61 | S | S | * | * | trans | -122.6 | -1.3 | -173.4 | -61.7 | 0 | 0 | 0 | 0 | 116.4 | P259 I265 | P259-S261 WeakPolarHBondContact O-CB 3.35Å; P259-S261 PolarHBondContact O-N 3.48Å; P259-S261 PolarHBondContact O-OG 3.04Å; S261-I265 WeakPolarHBondContact O-CD1 3.4Å | ||
| 262 | I | 29.2 | Very low | 27.1 | Very low | 124 Ų | 124 | 103 Ų | 103 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -111.4 | -45.2 | -177.2 | -61.6 | 179.9 | 0 | 0 | 0 | 112.3 | N264 I265 | I262-N264 VanDerWaalsContact C-N 3.27Å; I262-N264 PolarHBondContact O-N 2.88Å; I262-I265 WeakPolarHBondContact O-CB 3.28Å; I262-I265 PolarHBondContact O-N 2.89Å |
| 263 | D | 27 | Very low | 27.3 | Very low | 98 Ų | 98 | 102.1 Ų | 102.1 | 52% | 0.524 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.7 | -29.7 | 178.5 | -60 | -69.9 | 0 | 0 | 0 | 114 | I265 I266 Q267 | D263-I265 PolarHBondContact O-N 2.71Å; D263-I266 PolarHBondContact O-N 3.43Å; D263-Q267 PolarHBondContact O-N 3.14Å; D263-Q267 VanDerWaalsContact O-N 3.13Å |
| 264 | N | 30.9 | Very low | 27.3 | Very low | 75 Ų | 75 | 101.2 Ų | 101.2 | 40% | 0.401 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.4 | -10 | 175 | -86.9 | -51 | 0 | 0 | 0 | 114.3 | T260 I262 R268 | T260-N264 PolarHBondContact O-ND2 3.42Å; I262-N264 VanDerWaalsContact C-N 3.27Å; I262-N264 PolarHBondContact O-N 2.88Å; N264-R268 WeakPolarHBondContact O-CD 3.41Å; N264-R268 WeakPolarHBondContact O-CG 3.2Å |
| 265 | I | 28.7 | Very low | 27.3 | Very low | 109 Ų | 109 | 98.6 Ų | 98.6 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -93.4 | -37.2 | 173.5 | -59.7 | 175.8 | 0 | 0 | 0 | 109.8 | S261 I262 D263 | S261-I265 WeakPolarHBondContact O-CD1 3.4Å; I262-I265 WeakPolarHBondContact O-CB 3.28Å; I262-I265 PolarHBondContact O-N 2.89Å; D263-I265 PolarHBondContact O-N 2.71Å |
| 266 | I | 30.4 | Very low | 27.3 | Very low | 100 Ų | 100 | 98.6 Ų | 98.6 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.7 | -34.4 | -177.6 | -62.5 | 174.4 | 0 | 0 | 0 | 112 | D263 | D263-I266 PolarHBondContact O-N 3.43Å |
| 267 | Q | 29.7 | Very low | 27.3 | Very low | 28 Ų | 28 | 99.3 Ų | 99.3 | 13% | 0.131 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.9 | 174.8 | -67.7 | -152.7 | -23.8 | 0 | 0 | 114.5 | D263 N269 K270 C847 C848 N851 | D263-Q267 PolarHBondContact O-N 3.14Å; D263-Q267 VanDerWaalsContact O-N 3.13Å; Q267-N269 VanDerWaalsContact C-N 3.28Å; Q267-N269 PolarHBondContact O-N 3.01Å; Q267-K270 PolarHBondContact O-N 2.91Å; Q267-C847 PolarHBondContact NE2-O 3.24Å; Q267-C848 VanDerWaalsContact OE1-CA 3.25Å; Q267-C848 PolarHBondContact OE1-SG 3.43Å; Q267-N851 PolarHBondContact NE2-OD1 3.05Å |
| 268 | R | 26.4 | Very low | 27.3 | Very low | 148 Ų | 148 | 95.5 Ų | 95.5 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -64.1 | -30.5 | -177 | -99.5 | -179 | 165.1 | 112.8 | -12.3 | 113.4 | N264 K270 S271 | N264-R268 WeakPolarHBondContact O-CD 3.41Å; N264-R268 WeakPolarHBondContact O-CG 3.2Å; R268-K270 PolarHBondContact O-N 3.42Å; R268-S271 PolarHBondContact O-OG 3.46Å |
| 269 | N | 28.4 | Very low | 27.3 | Very low | 109 Ų | 109 | 90 Ų | 90 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -87 | 4.6 | -177.2 | -69.9 | -17.9 | 0 | 0 | 0 | 114.8 | Q267 | Q267-N269 VanDerWaalsContact C-N 3.28Å; Q267-N269 PolarHBondContact O-N 3.01Å |
| 270 | K | 28.6 | Very low | 27.6 | Very low | 144 Ų | 144 | 87.2 Ų | 87.2 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -97.7 | -14.7 | 178.7 | -80.8 | -176.2 | 179.2 | 177.7 | 0 | 114.8 | Q267 R268 | Q267-K270 PolarHBondContact O-N 2.91Å; R268-K270 PolarHBondContact O-N 3.42Å |
| 271 | S | 27.4 | Very low | 28.1 | Very low | 23 Ų | 23 | 85.3 Ų | 85.3 | 16% | 0.161 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -90.3 | -2.7 | 179.1 | 48.5 | 0 | 0 | 0 | 0 | 115.5 | R268 | R268-S271 PolarHBondContact O-OG 3.46Š|
| 272 | E | 25.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 85.1 Ų | 85.1 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | trans | -124.4 | 70.8 | -174.7 | -64.7 | -171.9 | 164.1 | 0 | 0 | 112.9 | F840 | E272-F840 HydrophobicContact CG-CE2 3.83Š| ||
| 273 | T | 27.5 | Very low | 29.7 | Very low | 80 Ų | 80 | 80 Ų | 80 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | trans | -124.9 | 93.5 | 156.2 | 47.4 | 0 | 0 | 0 | 0 | 110 | K506 | T273-K506 HydrophobicContact CG2-CD 4.18Å; T273-K506 HydrophobicContact CG2-CG 4.3Å; T273-K506 WeakPolarHBondContact OG1-CE 3.08Å | ||
| 274 | T | 26.1 | Very low | 30.8 | Very low | 92 Ų | 92 | 79 Ų | 79 | 56% | 0.564 | 41% | 0.408 | S | S | * | . | trans | -50 | 151.2 | 170.4 | 32.6 | 0 | 0 | 0 | 0 | 112.6 | S276 K509 | T274-S276 PolarHBondContact O-N 2.95Å; T274-K509 PolarHBondContact OG1-NZ 3.25Å | ||
| 275 | H | 24.3 | Very low | 31.9 | Very low | 79 Ų | 79 | 75.5 Ų | 75.5 | 37% | 0.366 | 39% | 0.389 | S | S | . | . | trans | -45.2 | 122.9 | 175 | -67.5 | -59.2 | 0 | 0 | 0 | 113.3 | F648 K652 | H275-F648 AromaticContact CE1-CE1 3.64Å; H275-F648 AromaticContact NE2-CE1 3.6Å; H275-K652 PolarHBondContact CD2-NZ 3.47Å; H275-K652 WeakPolarHBondContact CE1-CE 3.09Å; H275-K652 WeakPolarHBondContact NE2-CE 3.19Å; H275-K652 PolarHBondContact NE2-NZ 2.83Å | ||
| 276 | S | 25.3 | Very low | 33.2 | Very low | 87 Ų | 87 | 70.5 Ų | 70.5 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | trans | -89.8 | 134.8 | 166.3 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | T274 K777 | T274-S276 PolarHBondContact O-N 2.95Å; S276-K777 WeakPolarHBondContact O-CE 3.47Å | ||
| 277 | R | 24.5 | Very low | 34.7 | Very low | 91 Ų | 91 | 65.8 Ų | 65.8 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | trans | -34.6 | 124.2 | 142.2 | -63.6 | 173.6 | -157.9 | -106.3 | -16.5 | 107.7 | T279 D776 | R277-T279 VanDerWaalsContact CA-N 3.34Å; R277-T279 HydrophobicContact CB-CG2 4.07Å; R277-T279 VanDerWaalsContact CB-N 3.28Å; R277-T279 HydrophobicContact CG-CG2 4.37Å; R277-D776 HydrophobicContact CB-CB 4.28Å; R277-D776 HydrophobicContact CG-CB 3.06Å; R277-D776 WeakPolarHBondContact CG-OD2 3.47Å; R277-D776 IonicContact CZ-OD1 2.67Å; R277-D776 IonicContact CZ-OD2 2.97Å; R277-D776 IonicContact NE-OD1 2.6Å; R277-D776 IonicContact NE-OD2 2.72Å; R277-D776 PolarHBondContact NE-OD2 2.91Å; R277-D776 IonicContact NH2-OD1 2.69Å; R277-D776 PolarHBondContact NH2-OD1 3.38Å; R277-D776 IonicContact NH2-OD2 3.71Å | ||
| 278 | I | 25.3 | Very low | 36.4 | Very low | 45 Ų | 45 | 64.7 Ų | 64.7 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | -16.9 | 69.7 | 52.9 | -42.8 | 173 | 0 | 0 | 0 | 116.1 | D282 D357 Q358 K777 | I278-D282 WeakPolarHBondContact CG1-OD2 3.28Å; I278-D357 WeakPolarHBondContact CD1-OD2 3.44Å; I278-Q358 HydrophobicContact CD1-CG 4.17Å; I278-K777 HydrophobicContact CB-CD 3.77Å; I278-K777 VanDerWaalsContact CB-CE 3.47Å; I278-K777 HydrophobicContact CB-CG 4.28Å; I278-K777 HydrophobicContact CG1-CD 4.39Å; I278-K777 WeakPolarHBondContact O-CG 3.27Å | |||
| 279 | T | 27.1 | Very low | 38.5 | Very low | 49 Ų | 49 | 58 Ų | 58 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | -57 | 161.7 | 122.5 | 25.5 | 0 | 0 | 0 | 0 | 109.3 | R277 Q281 | R277-T279 VanDerWaalsContact CA-N 3.34Å; R277-T279 HydrophobicContact CB-CG2 4.07Å; R277-T279 VanDerWaalsContact CB-N 3.28Å; R277-T279 HydrophobicContact CG-CG2 4.37Å; T279-Q281 VanDerWaalsContact CB-OE1 3.23Å; T279-Q281 PolarHBondContact O-N 3.25Å; T279-Q281 PolarHBondContact OG1-OE1 3.19Å | |||
| 280 | G | 29.9 | Very low | 40.5 | Very low | 28 Ų | 28 | 52.9 Ų | 52.9 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 51.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L449 | G280-L449 VanDerWaalsContact O-CD2 3.25Å; G280-L449 WeakPolarHBondContact O-CD2 3.37Å |
| 281 | Q | 37.3 | Very low | 42.6 | Very low | 77 Ų | 77 | 49.1 Ų | 49.1 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -11 | -173.1 | -77.6 | 175.5 | -40.4 | 0 | 0 | 112.9 | E217 T279 | E217-Q281 PolarHBondContact OE1-NE2 3.42Å; E217-Q281 PolarHBondContact OE2-NE2 3Å; T279-Q281 VanDerWaalsContact CB-OE1 3.23Å; T279-Q281 PolarHBondContact O-N 3.25Å; T279-Q281 PolarHBondContact OG1-OE1 3.19Å |
| 282 | D | 45.8 | Very low | 44.7 | Very low | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | trans | -100.4 | 19.4 | -171.9 | -52.5 | -36.1 | 0 | 0 | 0 | 113.5 | I278 I284 | I278-D282 WeakPolarHBondContact CG1-OD2 3.28Å; D282-I284 PolarHBondContact O-N 3.22Å | ||
| 283 | I | 47.6 | Very low | 46.7 | Very low | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | -86.5 | 99.2 | 164.8 | -57.2 | -167.3 | 0 | 0 | 0 | 107.9 | T446 L449 I450 V453 | I283-T446 HydrophobicContact CD1-CG2 4.26Å; I283-L449 HydrophobicContact CB-CD2 4.4Å; I283-L449 HydrophobicContact CD1-CB 4.42Å; I283-L449 HydrophobicContact CD1-CD2 3.62Å; I283-L449 HydrophobicContact CD1-CG 3.93Å; I283-L449 HydrophobicContact CG1-CD2 3.87Å; I283-L449 HydrophobicContact CG1-CG 4.4Å; I283-I450 HydrophobicContact CD1-CD1 4.32Å; I283-I450 HydrophobicContact CD1-CG1 3.61Å; I283-V453 HydrophobicContact CG2-CB 4.5Å; I283-V453 HydrophobicContact CG2-CG1 4.44Å; I283-V453 HydrophobicContact CG2-CG2 4.18Å | ||
| 284 | I | 50.5 | Low | 48.6 | Very low | 79 Ų | 79 | 40.9 Ų | 40.9 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.3 | 178.9 | -52.8 | 175.1 | 0 | 0 | 0 | 107.8 | D282 V286 V355 | D282-I284 PolarHBondContact O-N 3.22Å; I284-V286 HydrophobicContact CG2-CG2 3.92Å; I284-V355 HydrophobicContact CB-CB 4.15Å; I284-V355 HydrophobicContact CB-CG2 4.2Å; I284-V355 PolarHBondContact N-O 2.93Å; I284-V355 PolarHBondContact O-N 2.73Å |
| 285 | G | 53.4 | Low | 50.4 | Low | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 115.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P222 V223 | P222-G285 CarbonylContact C-O 3.33Å; P222-G285 VanDerWaalsContact CA-O 3.24Å; P222-G285 WeakPolarHBondContact CA-O 3.39Å; P222-G285 WeakPolarHBondContact CB-O 3.43Å; V223-G285 PolarHBondContact N-O 2.97Å |
| 286 | V | 57.1 | Low | 52 | Low | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.8 | 170.8 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | V223 L225 I284 F309 I352 F353 V355 | V223-V286 CarbonylContact O-C 3.58Å; V223-V286 VanDerWaalsContact O-CA 3.27Å; V223-V286 WeakPolarHBondContact O-CA 3.3Å; L225-V286 HydrophobicContact CB-CG1 3.95Å; L225-V286 HydrophobicContact CD1-CG1 3.78Å; L225-V286 HydrophobicContact CD1-CG2 4.04Å; L225-V286 HydrophobicContact CG-CG1 3.91Å; L225-V286 HydrophobicContact CG-CG2 4.48Å; I284-V286 HydrophobicContact CG2-CG2 3.92Å; V286-F309 HydrophobicContact CB-CD2 4.31Å; V286-F309 HydrophobicContact CB-CE2 4.36Å; V286-F309 HydrophobicContact CG1-CD2 3.87Å; V286-F309 HydrophobicContact CG1-CE2 4.36Å; V286-F309 HydrophobicContact CG1-CG 4.15Å; V286-F309 HydrophobicContact CG2-CD2 4.16Å; V286-F309 HydrophobicContact CG2-CE2 3.79Å; V286-F309 HydrophobicContact CG2-CZ 4.2Å; V286-I352 CarbonylContact O-C 3.57Å; V286-I352 WeakPolarHBondContact O-CA 3.38Å; V286-F353 HydrophobicContact CB-CB 4.21Å; V286-F353 PolarHBondContact N-O 3.47Å; V286-F353 PolarHBondContact O-N 3.45Å; V286-V355 HydrophobicContact CG2-CG2 4.38Å |
| 287 | V | 61.4 | Low | 53.4 | Low | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.3 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | V223 I224 L225 F289 A457 V461 | V223-V287 PolarHBondContact O-N 2.8Å; I224-V287 HydrophobicContact CG1-CB 4.5Å; L225-V287 PolarHBondContact N-O 2.94Å; V287-F289 HydrophobicContact CG1-CD2 4.19Å; V287-F289 HydrophobicContact CG1-CE2 3.71Å; V287-A457 HydrophobicContact CG2-CB 4.06Å; V287-V461 HydrophobicContact CG1-CG2 3.54Å; V287-V461 HydrophobicContact CG2-CG2 4.26Å |
| 288 | E | 65.6 | Low | 54.8 | Low | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.4 | 174.1 | -174.7 | 169.6 | -170.4 | 0 | 0 | 109.3 | V290 N308 F309 I351 F353 | E288-V290 HydrophobicContact CG-CG2 4.38Å; E288-N308 WeakPolarHBondContact OE1-CB 3.36Å; E288-N308 PolarHBondContact OE1-N 3.49Å; E288-N308 PolarHBondContact OE1-ND2 3.4Å; E288-N308 PolarHBondContact OE2-N 3.5Å; E288-F309 WeakPolarHBondContact OE2-CB 3.35Å; E288-F309 PolarHBondContact OE2-N 3.5Å; E288-F309 VanDerWaalsContact OE2-N 3.12Å; E288-I351 PolarHBondContact N-O 3.39Å; E288-I351 PolarHBondContact O-N 3.48Å; E288-F353 HydrophobicContact CB-CD2 4.34Å; E288-F353 HydrophobicContact CB-CE2 3.96Å; E288-F353 WeakPolarHBondContact OE2-CE2 3.46Å |
| 289 | F | 69.2 | Low | 56 | Low | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 105.1 | 174.9 | -79 | -100.9 | 0 | 0 | 0 | 109.1 | V287 F348 P350 V461 I464 L468 V475 L624 | V287-F289 HydrophobicContact CG1-CD2 4.19Å; V287-F289 HydrophobicContact CG1-CE2 3.71Å; F289-F348 HydrophobicContact CB-CD1 4.45Å; F289-P350 HydrophobicContact CD1-CB 3.99Å; F289-P350 HydrophobicContact CE1-CB 3.66Å; F289-P350 HydrophobicContact CE1-CG 4.16Å; F289-P350 HydrophobicContact CZ-CB 3.96Å; F289-V461 HydrophobicContact CZ-CG1 4.3Å; F289-I464 HydrophobicContact CD2-CG2 4.26Å; F289-I464 HydrophobicContact CE1-CG2 4.06Å; F289-I464 HydrophobicContact CE2-CB 3.94Å; F289-I464 HydrophobicContact CE2-CD1 3.76Å; F289-I464 HydrophobicContact CE2-CG1 4.47Å; F289-I464 HydrophobicContact CE2-CG2 3.59Å; F289-I464 HydrophobicContact CZ-CB 3.67Å; F289-I464 HydrophobicContact CZ-CD1 4.31Å; F289-I464 HydrophobicContact CZ-CG2 3.47Å; F289-I464 VanDerWaalsContact CZ-CG2 3.47Å; F289-L468 HydrophobicContact CD1-CD1 3.55Å; F289-L468 HydrophobicContact CE1-CD1 3.53Å; F289-L468 HydrophobicContact CG-CD1 4.36Å; F289-L468 HydrophobicContact CZ-CD1 4.35Å; F289-V475 HydrophobicContact CE1-CG1 4.22Å; F289-L624 HydrophobicContact CB-CD1 4.46Å |
| 290 | V | 71.4 | Confident | 57.4 | Low | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.8 | -177.7 | -180 | 0 | 0 | 0 | 0 | 109.4 | E288 I292 V304 S305 I307 F348 L349 I351 | E288-V290 HydrophobicContact CG-CG2 4.38Å; V290-I292 HydrophobicContact CG1-CG1 4.37Å; V290-V304 HydrophobicContact CG1-CG1 3.62Å; V290-S305 WeakPolarHBondContact CG1-OG 3.18Å; V290-I307 HydrophobicContact CG2-CG1 4.08Å; V290-F348 WeakPolarHBondContact O-CA 3.46Å; V290-L349 PolarHBondContact N-O 3.48Å; V290-L349 PolarHBondContact O-N 3.21Å; V290-I351 HydrophobicContact CB-CD1 4.33Å; V290-I351 HydrophobicContact CG2-CD1 3.55Å; V290-I351 HydrophobicContact CG2-CG1 4.03Å |
| 291 | K | 71.9 | Confident | 58.7 | Low | 65 Ų | 65 | 49.3 Ų | 49.3 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.1 | 175 | -177.2 | -170.7 | 171.7 | -169.9 | 0 | 109.2 | T293 S305 T346 F348 I628 | K291-T293 WeakPolarHBondContact CE-OG1 2.94Å; K291-S305 PolarHBondContact N-OG 3.08Å; K291-S305 WeakPolarHBondContact O-CB 3.37Å; K291-S305 PolarHBondContact O-N 2.9Å; K291-S305 PolarHBondContact O-OG 3.36Å; K291-S305 VanDerWaalsContact O-OG 3.09Å; K291-T346 HydrophobicContact CD-CG2 4.19Å; K291-T346 HydrophobicContact CG-CG2 3.67Å; K291-F348 HydrophobicContact CB-CD1 4.31Å; K291-F348 HydrophobicContact CB-CE1 3.94Å; K291-F348 HydrophobicContact CB-CZ 4.45Å; K291-F348 HydrophobicContact CG-CE1 4.25Å; K291-F348 HydrophobicContact CG-CZ 4.27Å; K291-I628 HydrophobicContact CD-CD1 4.43Å |
| 292 | I | 71.5 | Confident | 59.9 | Low | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.2 | 178.1 | -52.9 | -176.9 | 0 | 0 | 0 | 107.5 | V290 I302 T303 V304 I321 V325 T346 L347 L349 | V290-I292 HydrophobicContact CG1-CG1 4.37Å; I292-I302 HydrophobicContact CG2-CG2 3.52Å; I292-T303 CarbonylContact C-O 3.3Å; I292-T303 WeakPolarHBondContact CA-O 3.31Å; I292-V304 HydrophobicContact CG1-CG1 4.39Å; I292-V304 HydrophobicContact CG1-CG2 4.5Å; I292-V304 HydrophobicContact CG2-CG2 4.34Å; I292-I321 HydrophobicContact CD1-CG2 3.72Å; I292-V325 HydrophobicContact CD1-CG2 3.48Å; I292-V325 VanDerWaalsContact CD1-CG2 3.48Å; I292-V325 HydrophobicContact CG2-CG1 4.15Å; I292-V325 HydrophobicContact CG2-CG2 4.02Å; I292-T346 CarbonylContact O-C 3.57Å; I292-T346 WeakPolarHBondContact O-CA 3.35Å; I292-L347 HydrophobicContact CB-CB 4.49Å; I292-L347 WeakPolarHBondContact CB-O 3.31Å; I292-L347 PolarHBondContact N-O 3.46Å; I292-L347 PolarHBondContact O-N 2.68Å; I292-L349 HydrophobicContact CD1-CB 3.82Å; I292-L349 HydrophobicContact CD1-CD2 4.06Å |
| 293 | T | 67.6 | Low | 60.6 | Low | 26 Ų | 26 | 47.4 Ų | 47.4 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.2 | 178.6 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | K291 T303 L345 T346 | K291-T293 WeakPolarHBondContact CE-OG1 2.94Å; T293-T303 WeakPolarHBondContact CB-OG1 3.37Å; T293-T303 PolarHBondContact N-O 2.93Å; T293-T303 PolarHBondContact O-N 2.72Å; T293-T303 PolarHBondContact O-OG1 2.65Å; T293-L345 WeakPolarHBondContact CA-O 3.42Å; T293-T346 PolarHBondContact OG1-OG1 2.96Å; T293-T346 VanDerWaalsContact OG1-OG1 3.08Å |
| 294 | Y | 67.8 | Low | 61.4 | Low | 26 Ų | 26 | 48.9 Ų | 48.9 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.1 | 179.7 | 179.5 | -101.3 | 0 | 0 | 0 | 109.2 | K296 N300 I302 F329 S344 L345 | Y294-K296 HydrophobicContact CE1-CB 4.28Å; Y294-K296 HydrophobicContact CE1-CG 4.19Å; Y294-N300 HydrophobicContact CE2-CB 4.15Å; Y294-N300 PolarHBondContact OH-ND2 3.37Å; Y294-N300 PolarHBondContact OH-OD1 3.45Å; Y294-I302 HydrophobicContact CD2-CG1 3.84Å; Y294-I302 HydrophobicContact CE2-CG1 4.42Å; Y294-F329 HydrophobicContact CD1-CD1 4.1Å; Y294-F329 AromaticContact CD1-CE1 3.84Å; Y294-F329 HydrophobicContact CD1-CE1 3.84Å; Y294-F329 HydrophobicContact CD1-CZ 4.17Å; Y294-F329 HydrophobicContact CD2-CD2 4.36Å; Y294-F329 HydrophobicContact CD2-CE2 4.33Å; Y294-F329 HydrophobicContact CE1-CD1 4.42Å; Y294-F329 HydrophobicContact CG-CD1 4.35Å; Y294-F329 HydrophobicContact CG-CD2 4.33Å; Y294-F329 AromaticContact CG-CE1 3.98Å; Y294-F329 HydrophobicContact CG-CE1 3.98Å; Y294-F329 AromaticContact CG-CE2 4Å; Y294-F329 HydrophobicContact CG-CE2 4Å; Y294-F329 AromaticContact CG-CZ 3.83Å; Y294-F329 HydrophobicContact CG-CZ 3.83Å; Y294-S344 CarbonylContact O-C 3.58Å; Y294-S344 VanDerWaalsContact O-CA 3.25Å; Y294-S344 WeakPolarHBondContact O-CA 3.06Å; Y294-L345 PolarHBondContact N-O 3.43Å; Y294-L345 PolarHBondContact O-N 3.34Å |
| 295 | D | 63.4 | Low | 61.9 | Low | 56 Ų | 56 | 46.8 Ų | 46.8 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.6 | 176.3 | -172.3 | -27 | 0 | 0 | 0 | 110 | T297 Q301 | D295-T297 VanDerWaalsContact C-N 3.31Å; D295-T297 WeakPolarHBondContact OD1-CA 3.24Å; D295-T297 WeakPolarHBondContact OD1-CB 3.32Å; D295-T297 PolarHBondContact OD1-N 2.59Å; D295-T297 PolarHBondContact OD1-OG1 3.49Å; D295-Q301 PolarHBondContact N-O 3.46Å |
| 296 | K | 58.8 | Low | 62 | Low | 91 Ų | 91 | 50 Ų | 50 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -83.2 | -8.2 | -176.4 | -152.7 | 167.4 | -170.6 | 170.4 | 0 | 113.2 | Y294 E333 H343 | Y294-K296 HydrophobicContact CE1-CB 4.28Å; Y294-K296 HydrophobicContact CE1-CG 4.19Å; K296-E333 IonicContact NZ-OE1 2.61Å; K296-E333 PolarHBondContact NZ-OE1 3.46Å; K296-H343 PolarHBondContact N-O 2.83Å |
| 297 | T | 55.2 | Low | 62.1 | Low | 89 Ų | 89 | 50.3 Ų | 50.3 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -92.8 | -23.9 | -177.4 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | D295 H343 | D295-T297 VanDerWaalsContact C-N 3.31Å; D295-T297 WeakPolarHBondContact OD1-CA 3.24Å; D295-T297 WeakPolarHBondContact OD1-CB 3.32Å; D295-T297 PolarHBondContact OD1-N 2.59Å; D295-T297 PolarHBondContact OD1-OG1 3.49Å; T297-H343 HydrophobicContact CG2-CB 4.12Å; T297-H343 VanDerWaalsContact CG2-ND1 3.27Å; T297-H343 WeakPolarHBondContact CG2-ND1 3.31Å |
| 298 | N | 52.7 | Low | 61.6 | Low | 102 Ų | 102 | 52.9 Ų | 52.9 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -124 | 75 | -170.5 | -140.6 | 5.2 | 0 | 0 | 0 | 111.8 | N300 Q301 | N298-N300 PolarHBondContact O-N 2.67Å; N298-Q301 PolarHBondContact O-N 3.01Å |
| 299 | S | 51.8 | Low | 61 | Low | 91 Ų | 91 | 54.1 Ų | 54.1 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 39.6 | 168.8 | 58.4 | 0 | 0 | 0 | 0 | 116.7 | Q301 | S299-Q301 PolarHBondContact O-N 3.22Å; S299-Q301 VanDerWaalsContact O-N 3.14Å |
| 300 | N | 55.3 | Low | 60.3 | Low | 104 Ų | 104 | 54.5 Ų | 54.5 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 35 | 180 | -70.1 | 12 | 0 | 0 | 0 | 113.8 | Y294 N298 I302 | Y294-N300 HydrophobicContact CE2-CB 4.15Å; Y294-N300 PolarHBondContact OH-ND2 3.37Å; Y294-N300 PolarHBondContact OH-OD1 3.45Å; N298-N300 PolarHBondContact O-N 2.67Å; N300-I302 PolarHBondContact O-N 3.33Å |
| 301 | Q | 56.6 | Low | 59.1 | Low | 114 Ų | 114 | 59.2 Ų | 59.2 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.8 | -179.8 | -73.5 | -172 | -1.1 | 0 | 0 | 111.5 | D295 N298 S299 | D295-Q301 PolarHBondContact N-O 3.46Å; N298-Q301 PolarHBondContact O-N 3.01Å; S299-Q301 PolarHBondContact O-N 3.22Å; S299-Q301 VanDerWaalsContact O-N 3.14Å |
| 302 | I | 63.2 | Low | 58.1 | Low | 34 Ų | 34 | 62.4 Ų | 62.4 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122 | 169.7 | -63.8 | 163 | 0 | 0 | 0 | 108.6 | I292 Y294 N300 V304 V325 D326 | I292-I302 HydrophobicContact CG2-CG2 3.52Å; Y294-I302 HydrophobicContact CD2-CG1 3.84Å; Y294-I302 HydrophobicContact CE2-CG1 4.42Å; N300-I302 PolarHBondContact O-N 3.33Å; I302-V304 HydrophobicContact CG2-CG2 3.93Å; I302-V325 HydrophobicContact CD1-CB 4.3Å; I302-V325 HydrophobicContact CD1-CG1 3.66Å; I302-V325 HydrophobicContact CG1-CG1 4.11Å; I302-V325 HydrophobicContact CG2-CG1 4.22Å; I302-D326 VanDerWaalsContact CD1-OD1 3.26Å; I302-D326 WeakPolarHBondContact CD1-OD1 3.28Å |
| 303 | T | 60.8 | Low | 57.5 | Low | 83 Ų | 83 | 63.9 Ų | 63.9 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.9 | 170.4 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | I292 T293 | I292-T303 CarbonylContact C-O 3.3Å; I292-T303 WeakPolarHBondContact CA-O 3.31Å; T293-T303 WeakPolarHBondContact CB-OG1 3.37Å; T293-T303 PolarHBondContact N-O 2.93Å; T293-T303 PolarHBondContact O-N 2.72Å; T293-T303 PolarHBondContact O-OG1 2.65Å |
| 304 | V | 64.1 | Low | 57.3 | Low | 46 Ų | 46 | 66.3 Ų | 66.3 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.2 | 179.9 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | V290 I292 I302 I321 | V290-V304 HydrophobicContact CG1-CG1 3.62Å; I292-V304 HydrophobicContact CG1-CG1 4.39Å; I292-V304 HydrophobicContact CG1-CG2 4.5Å; I292-V304 HydrophobicContact CG2-CG2 4.34Å; I302-V304 HydrophobicContact CG2-CG2 3.93Å; V304-I321 HydrophobicContact CG2-CG2 4.34Å |
| 305 | S | 60.9 | Low | 57 | Low | 36 Ų | 36 | 69.8 Ų | 69.8 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | trans | -65 | 148.4 | 174.2 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | V290 K291 I307 | V290-S305 WeakPolarHBondContact CG1-OG 3.18Å; K291-S305 PolarHBondContact N-OG 3.08Å; K291-S305 WeakPolarHBondContact O-CB 3.37Å; K291-S305 PolarHBondContact O-N 2.9Å; K291-S305 PolarHBondContact O-OG 3.36Å; K291-S305 VanDerWaalsContact O-OG 3.09Å; S305-I307 PolarHBondContact O-N 3.11Å | ||
| 306 | P | 54.7 | Low | 57 | Low | 68 Ų | 68 | 71.4 Ų | 71.4 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | trans | -56.2 | 139.8 | 178 | 23.4 | -34 | 0 | 0 | 0 | 111.7 | N308 E631 | P306-N308 PolarHBondContact O-N 2.88Å; P306-N308 PolarHBondContact O-ND2 3.48Å; P306-E631 WeakPolarHBondContact CB-OE1 3.5Å; P306-E631 VanDerWaalsContact CG-OE1 3.3Å; P306-E631 WeakPolarHBondContact CG-OE1 3.31Å | ||
| 307 | I | 59.9 | Low | 57.3 | Low | 9 Ų | 9 | 67.6 Ų | 67.6 | 5% | 0.046 | 38% | 0.38 | C | S | . | . | trans | -87.1 | 99.6 | 178.4 | -61.2 | -177.4 | 0 | 0 | 0 | 107.3 | V290 S305 F309 V310 P313 L317 I321 I351 F353 | V290-I307 HydrophobicContact CG2-CG1 4.08Å; S305-I307 PolarHBondContact O-N 3.11Å; I307-F309 PolarHBondContact O-N 2.9Å; I307-V310 HydrophobicContact CG2-CB 4.3Å; I307-V310 CarbonylContact O-C 3.58Å; I307-V310 VanDerWaalsContact O-C 3.3Å; I307-V310 PolarHBondContact O-N 3.34Å; I307-V310 VanDerWaalsContact O-O 3.12Å; I307-P313 HydrophobicContact CD1-CB 4.16Å; I307-P313 HydrophobicContact CD1-CG 4.33Å; I307-L317 HydrophobicContact CD1-CD2 4.21Å; I307-I321 HydrophobicContact CD1-CD1 3.93Å; I307-I351 HydrophobicContact CD1-CD1 4.26Å; I307-F353 HydrophobicContact CG2-CE1 4.32Å; I307-F353 HydrophobicContact CG2-CE2 3.92Å; I307-F353 HydrophobicContact CG2-CZ 3.4Å | ||
| 308 | N | 52.2 | Low | 58 | Low | 56 Ų | 56 | 66.5 Ų | 66.5 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.3 | -171 | -57 | -94.8 | 0 | 0 | 0 | 112 | P227 E288 P306 V310 | P227-N308 WeakPolarHBondContact CG-ND2 3.46Å; E288-N308 WeakPolarHBondContact OE1-CB 3.36Å; E288-N308 PolarHBondContact OE1-N 3.49Å; E288-N308 PolarHBondContact OE1-ND2 3.4Å; E288-N308 PolarHBondContact OE2-N 3.5Å; P306-N308 PolarHBondContact O-N 2.88Å; P306-N308 PolarHBondContact O-ND2 3.48Å; N308-V310 VanDerWaalsContact C-N 3.34Å |
| 309 | F | 52.2 | Low | 58.8 | Low | 30 Ų | 30 | 66.8 Ų | 66.8 | 13% | 0.132 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -20.5 | 175.6 | -165.6 | -104.1 | 0 | 0 | 0 | 114 | L225 V286 E288 I307 F353 V355 V484 I489 | L225-F309 HydrophobicContact CD1-CD2 3.76Å; L225-F309 HydrophobicContact CD1-CE2 4.06Å; V286-F309 HydrophobicContact CB-CD2 4.31Å; V286-F309 HydrophobicContact CB-CE2 4.36Å; V286-F309 HydrophobicContact CG1-CD2 3.87Å; V286-F309 HydrophobicContact CG1-CE2 4.36Å; V286-F309 HydrophobicContact CG1-CG 4.15Å; V286-F309 HydrophobicContact CG2-CD2 4.16Å; V286-F309 HydrophobicContact CG2-CE2 3.79Å; V286-F309 HydrophobicContact CG2-CZ 4.2Å; E288-F309 WeakPolarHBondContact OE2-CB 3.35Å; E288-F309 PolarHBondContact OE2-N 3.5Å; E288-F309 VanDerWaalsContact OE2-N 3.12Å; I307-F309 PolarHBondContact O-N 2.9Å; F309-F353 HydrophobicContact CB-CD2 3.72Å; F309-F353 HydrophobicContact CB-CE2 3.79Å; F309-F353 HydrophobicContact CB-CG 4.33Å; F309-F353 HydrophobicContact CB-CZ 4.46Å; F309-F353 HydrophobicContact CD1-CB 3.47Å; F309-F353 VanDerWaalsContact CD1-CB 3.47Å; F309-F353 AromaticContact CD1-CD1 3.89Å; F309-F353 HydrophobicContact CD1-CD1 3.89Å; F309-F353 AromaticContact CD1-CD2 3.66Å; F309-F353 HydrophobicContact CD1-CD2 3.66Å; F309-F353 HydrophobicContact CD1-CE2 4.35Å; F309-F353 AromaticContact CD1-CG 3.39Å; F309-F353 HydrophobicContact CD1-CG 3.39Å; F309-F353 HydrophobicContact CE1-CB 3.74Å; F309-F353 HydrophobicContact CE1-CG 4.15Å; F309-F353 HydrophobicContact CG-CB 4.3Å; F309-F353 AromaticContact CG-CD2 3.86Å; F309-F353 HydrophobicContact CG-CD2 3.86Å; F309-F353 HydrophobicContact CG-CE2 4.41Å; F309-F353 HydrophobicContact CG-CG 4.08Å; F309-V355 HydrophobicContact CE1-CG2 3.74Å; F309-V355 HydrophobicContact CE2-CG2 4.3Å; F309-V355 HydrophobicContact CZ-CG2 3.3Å; F309-V484 HydrophobicContact CD1-CG2 4.42Å; F309-V484 HydrophobicContact CE1-CB 4.24Å; F309-V484 HydrophobicContact CE1-CG1 4.24Å; F309-V484 HydrophobicContact CE1-CG2 4.15Å; F309-I489 HydrophobicContact CZ-CD1 4Å |
| 310 | V | 55.1 | Low | 59.6 | Low | 16 Ų | 16 | 66.4 Ų | 66.4 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | trans | -141.9 | 93.9 | -176.5 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | I307 N308 N312 P313 F353 V484 | I307-V310 HydrophobicContact CG2-CB 4.3Å; I307-V310 CarbonylContact O-C 3.58Å; I307-V310 VanDerWaalsContact O-C 3.3Å; I307-V310 PolarHBondContact O-N 3.34Å; I307-V310 VanDerWaalsContact O-O 3.12Å; N308-V310 VanDerWaalsContact C-N 3.34Å; V310-N312 PolarHBondContact O-N 3.27Å; V310-P313 WeakPolarHBondContact O-CD 3.42Å; V310-F353 HydrophobicContact CG2-CD1 4.23Å; V310-F353 HydrophobicContact CG2-CE1 3.94Å; V310-F353 HydrophobicContact CG2-CZ 4.43Å; V310-V484 HydrophobicContact CG2-CG2 4.22Å | ||
| 311 | N | 44.8 | Very low | 60.4 | Low | 100 Ų | 100 | 61.4 Ų | 61.4 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -59 | -5.9 | -175.8 | -71.7 | 3.2 | 0 | 0 | 0 | 116 | ||
| 312 | N | 52 | Low | 61.1 | Low | 132 Ų | 132 | 60.3 Ų | 60.3 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -150.7 | 93.6 | 164.5 | -88.6 | -65.6 | 0 | 0 | 0 | 108.4 | V310 E314 | V310-N312 PolarHBondContact O-N 3.27Å; N312-E314 PolarHBondContact O-N 2.8Å |
| 313 | P | 59 | Low | 61.6 | Low | 33 Ų | 33 | 62 Ų | 62 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | trans | -63.8 | 135 | 176.3 | 26.7 | -33.4 | 0 | 0 | 0 | 110.2 | I307 V310 L317 L318 | I307-P313 HydrophobicContact CD1-CB 4.16Å; I307-P313 HydrophobicContact CD1-CG 4.33Å; V310-P313 WeakPolarHBondContact O-CD 3.42Å; P313-L317 HydrophobicContact CB-CB 4.37Å; P313-L317 HydrophobicContact CB-CD2 3.81Å; P313-L317 HydrophobicContact CB-CG 4.31Å; P313-L318 HydrophobicContact CB-CG 4.49Å; P313-L318 HydrophobicContact CG-CD1 3.96Å; P313-L318 HydrophobicContact CG-CD2 4.43Å; P313-L318 HydrophobicContact CG-CG 4.03Å | ||
| 314 | E | 62.7 | Low | 62.1 | Low | 76 Ų | 76 | 59.2 Ų | 59.2 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | trans | -54 | 142 | 174.2 | -73.3 | -178 | 172 | 0 | 0 | 109.5 | N312 H316 L317 K363 | N312-E314 PolarHBondContact O-N 2.8Å; E314-H316 PolarHBondContact O-N 3.47Å; E314-L317 WeakPolarHBondContact O-CA 3.48Å; E314-L317 VanDerWaalsContact O-CB 3.3Å; E314-L317 WeakPolarHBondContact O-CB 3.46Å; E314-L317 PolarHBondContact O-N 3.3Å; E314-K363 IonicContact OE1-NZ 3.57Å | ||
| 315 | P | 61.8 | Low | 62.5 | Low | 100 Ų | 100 | 57.1 Ų | 57.1 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.9 | -29.7 | -172.2 | 20.4 | -32.5 | 0 | 0 | 0 | 113.4 | L317 L318 E319 | P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 2.95Å; P315-L318 PolarHBondContact O-N 3.27Å; P315-E319 WeakPolarHBondContact O-CB 3.12Å; P315-E319 PolarHBondContact O-N 2.72Å |
| 316 | H | 63.5 | Low | 63 | Low | 89 Ų | 89 | 58.8 Ų | 58.8 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -28.8 | 172.8 | -68.4 | -47.6 | 0 | 0 | 0 | 114.2 | E314 E319 R320 L372 | E314-H316 PolarHBondContact O-N 3.47Å; H316-E319 IonicContact CE1-OE2 2.85Å; H316-E319 IonicContact CG-OE2 2.73Å; H316-E319 IonicContact ND1-OE2 3.5Å; H316-E319 PolarHBondContact ND1-OE2 3.5Å; H316-R320 VanDerWaalsContact O-CB 3.27Å; H316-R320 WeakPolarHBondContact O-CB 3.37Å; H316-R320 PolarHBondContact O-N 3.38Å; H316-L372 WeakPolarHBondContact O-CD1 3.45Å |
| 317 | L | 65.7 | Low | 63.9 | Low | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 173.3 | 179 | 56.5 | 0 | 0 | 0 | 110.3 | I307 P313 E314 P315 R320 I321 F353 L372 L480 V482 | I307-L317 HydrophobicContact CD1-CD2 4.21Å; P313-L317 HydrophobicContact CB-CB 4.37Å; P313-L317 HydrophobicContact CB-CD2 3.81Å; P313-L317 HydrophobicContact CB-CG 4.31Å; E314-L317 WeakPolarHBondContact O-CA 3.48Å; E314-L317 VanDerWaalsContact O-CB 3.3Å; E314-L317 WeakPolarHBondContact O-CB 3.46Å; E314-L317 PolarHBondContact O-N 3.3Å; P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 2.95Å; L317-R320 PolarHBondContact O-N 3.39Å; L317-I321 HydrophobicContact CD1-CD1 4.06Å; L317-I321 HydrophobicContact CD1-CG1 4.36Å; L317-I321 HydrophobicContact CG-CD1 4.02Å; L317-I321 WeakPolarHBondContact O-CB 3.29Å; L317-I321 WeakPolarHBondContact O-CD1 3.43Å; L317-I321 WeakPolarHBondContact O-CG1 3.5Å; L317-I321 PolarHBondContact O-N 3.39Å; L317-F353 HydrophobicContact CD2-CE1 4.41Å; L317-L372 HydrophobicContact CD1-CD2 3.75Å; L317-L480 HydrophobicContact CD1-CD2 3.63Å; L317-V482 HydrophobicContact CD1-CG2 3.62Å; L317-V482 HydrophobicContact CD2-CG1 4.34Å; L317-V482 HydrophobicContact CD2-CG2 4.38Å |
| 318 | L | 69.3 | Low | 64.4 | Low | 67 Ų | 67 | 62.4 Ų | 62.4 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.8 | -78 | 159.7 | 0 | 0 | 0 | 111.8 | P313 P315 R320 I321 Q322 | P313-L318 HydrophobicContact CB-CG 4.49Å; P313-L318 HydrophobicContact CG-CD1 3.96Å; P313-L318 HydrophobicContact CG-CD2 4.43Å; P313-L318 HydrophobicContact CG-CG 4.03Å; P315-L318 PolarHBondContact O-N 3.27Å; L318-R320 VanDerWaalsContact C-N 3.33Å; L318-R320 PolarHBondContact O-N 2.79Å; L318-I321 PolarHBondContact O-N 2.82Å; L318-Q322 WeakPolarHBondContact O-CG 3.47Å; L318-Q322 PolarHBondContact O-N 3.28Å |
| 319 | E | 68.9 | Low | 65.3 | Low | 107 Ų | 107 | 60.7 Ų | 60.7 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | 176.2 | -177.8 | -177.6 | -158.4 | 0 | 0 | 112 | P315 H316 Q322 T323 | P315-E319 WeakPolarHBondContact O-CB 3.12Å; P315-E319 PolarHBondContact O-N 2.72Å; H316-E319 IonicContact CE1-OE2 2.85Å; H316-E319 IonicContact CG-OE2 2.73Å; H316-E319 IonicContact ND1-OE2 3.5Å; H316-E319 PolarHBondContact ND1-OE2 3.5Å; E319-Q322 PolarHBondContact O-N 3.04Å; E319-T323 PolarHBondContact O-N 3.3Å; E319-T323 PolarHBondContact O-OG1 3.17Å |
| 320 | R | 69.1 | Low | 66 | Low | 83 Ų | 83 | 64.6 Ų | 64.6 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.1 | -35.7 | 177 | -173.1 | 58.1 | 166 | -175 | -2.3 | 112.7 | H316 L317 L318 T323 I324 L372 D374 L480 | H316-R320 VanDerWaalsContact O-CB 3.27Å; H316-R320 WeakPolarHBondContact O-CB 3.37Å; H316-R320 PolarHBondContact O-N 3.38Å; L317-R320 PolarHBondContact O-N 3.39Å; L318-R320 VanDerWaalsContact C-N 3.33Å; L318-R320 PolarHBondContact O-N 2.79Å; R320-T323 PolarHBondContact O-N 3.12Å; R320-I324 HydrophobicContact CG-CD1 4.03Å; R320-I324 WeakPolarHBondContact O-CB 3.08Å; R320-I324 WeakPolarHBondContact O-CD1 3.48Å; R320-I324 VanDerWaalsContact O-CG1 3.26Å; R320-I324 WeakPolarHBondContact O-CG1 3.48Å; R320-I324 PolarHBondContact O-N 3.41Å; R320-L372 HydrophobicContact CB-CD1 3.58Å; R320-L372 HydrophobicContact CB-CD2 4.2Å; R320-L372 HydrophobicContact CG-CD1 3.87Å; R320-L372 HydrophobicContact CG-CD2 4Å; R320-L372 HydrophobicContact CG-CG 4.47Å; R320-D374 IonicContact CZ-OD1 2.64Å; R320-D374 IonicContact NE-OD1 2.66Å; R320-D374 IonicContact NH2-OD1 3.77Å; R320-D374 PolarHBondContact NH2-OD1 3.43Å; R320-D374 IonicContact NH2-OD2 3.53Å; R320-D374 PolarHBondContact NH2-OD2 2.94Å; R320-L480 HydrophobicContact CG-CD1 4.45Å |
| 321 | I | 71.3 | Confident | 66.5 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 172.1 | -72 | 165.4 | 0 | 0 | 0 | 109.4 | I292 V304 I307 L317 L318 T323 I324 V325 L349 I351 L480 | I292-I321 HydrophobicContact CD1-CG2 3.72Å; V304-I321 HydrophobicContact CG2-CG2 4.34Å; I307-I321 HydrophobicContact CD1-CD1 3.93Å; L317-I321 HydrophobicContact CD1-CD1 4.06Å; L317-I321 HydrophobicContact CD1-CG1 4.36Å; L317-I321 HydrophobicContact CG-CD1 4.02Å; L317-I321 WeakPolarHBondContact O-CB 3.29Å; L317-I321 WeakPolarHBondContact O-CD1 3.43Å; L317-I321 WeakPolarHBondContact O-CG1 3.5Å; L317-I321 PolarHBondContact O-N 3.39Å; L318-I321 PolarHBondContact O-N 2.82Å; I321-T323 PolarHBondContact O-N 3Å; I321-I324 PolarHBondContact O-N 2.95Å; I321-V325 HydrophobicContact CG2-CG2 4.31Å; I321-V325 WeakPolarHBondContact O-CB 3.46Å; I321-V325 WeakPolarHBondContact O-CG2 3.04Å; I321-V325 PolarHBondContact O-N 3.1Å; I321-L349 HydrophobicContact CB-CD2 4.43Å; I321-L349 HydrophobicContact CG1-CD2 3.93Å; I321-L349 HydrophobicContact CG2-CD2 4.02Å; I321-I351 HydrophobicContact CD1-CD1 4.02Å; I321-L480 HydrophobicContact CG1-CD2 3.88Å |
| 322 | Q | 72.4 | Confident | 67.1 | Low | 90 Ų | 90 | 63.8 Ų | 63.8 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.6 | -52 | 174.7 | -73.4 | 171.7 | -23.1 | 0 | 0 | 111.3 | L318 E319 I324 V325 D326 | L318-Q322 WeakPolarHBondContact O-CG 3.47Å; L318-Q322 PolarHBondContact O-N 3.28Å; E319-Q322 PolarHBondContact O-N 3.04Å; Q322-I324 VanDerWaalsContact C-N 3.29Å; Q322-I324 PolarHBondContact O-N 3.1Å; Q322-V325 CarbonylContact O-C 3.03Å; Q322-V325 WeakPolarHBondContact O-CA 3.45Å; Q322-V325 WeakPolarHBondContact O-CB 3.46Å; Q322-V325 PolarHBondContact O-N 3.01Å; Q322-D326 VanDerWaalsContact O-CG 3.28Å; Q322-D326 PolarHBondContact O-N 3.18Å |
| 323 | T | 74 | Confident | 67.2 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56 | -40 | 179 | -50.8 | 0 | 0 | 0 | 0 | 113.2 | E319 R320 I321 D327 | E319-T323 PolarHBondContact O-N 3.3Å; E319-T323 PolarHBondContact O-OG1 3.17Å; R320-T323 PolarHBondContact O-N 3.12Å; I321-T323 PolarHBondContact O-N 3Å; T323-D327 WeakPolarHBondContact O-CB 3.21Å; T323-D327 PolarHBondContact O-N 3.27Å; T323-D327 VanDerWaalsContact O-N 3.14Å |
| 324 | I | 71.1 | Confident | 66.8 | Low | 26 Ų | 26 | 68.3 Ų | 68.3 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.6 | -35.9 | 178.1 | -71.7 | 166.5 | 0 | 0 | 0 | 111.1 | R320 I321 Q322 Y328 L349 H476 L480 | R320-I324 HydrophobicContact CG-CD1 4.03Å; R320-I324 WeakPolarHBondContact O-CB 3.08Å; R320-I324 WeakPolarHBondContact O-CD1 3.48Å; R320-I324 VanDerWaalsContact O-CG1 3.26Å; R320-I324 WeakPolarHBondContact O-CG1 3.48Å; R320-I324 PolarHBondContact O-N 3.41Å; I321-I324 PolarHBondContact O-N 2.95Å; Q322-I324 VanDerWaalsContact C-N 3.29Å; Q322-I324 PolarHBondContact O-N 3.1Å; I324-Y328 WeakPolarHBondContact O-CB 3.09Å; I324-Y328 PolarHBondContact O-N 3.33Å; I324-L349 HydrophobicContact CG2-CD1 4.43Å; I324-H476 WeakPolarHBondContact CG2-CE1 3.43Å; I324-L480 HydrophobicContact CD1-CD1 3.78Å |
| 325 | V | 71.1 | Confident | 66.3 | Low | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.4 | -46.7 | 178.4 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | I292 I302 I321 Q322 Y328 F329 L347 | I292-V325 HydrophobicContact CD1-CG2 3.48Å; I292-V325 VanDerWaalsContact CD1-CG2 3.48Å; I292-V325 HydrophobicContact CG2-CG1 4.15Å; I292-V325 HydrophobicContact CG2-CG2 4.02Å; I302-V325 HydrophobicContact CD1-CB 4.3Å; I302-V325 HydrophobicContact CD1-CG1 3.66Å; I302-V325 HydrophobicContact CG1-CG1 4.11Å; I302-V325 HydrophobicContact CG2-CG1 4.22Å; I321-V325 HydrophobicContact CG2-CG2 4.31Å; I321-V325 WeakPolarHBondContact O-CB 3.46Å; I321-V325 WeakPolarHBondContact O-CG2 3.04Å; I321-V325 PolarHBondContact O-N 3.1Å; Q322-V325 CarbonylContact O-C 3.03Å; Q322-V325 WeakPolarHBondContact O-CA 3.45Å; Q322-V325 WeakPolarHBondContact O-CB 3.46Å; Q322-V325 PolarHBondContact O-N 3.01Å; V325-Y328 WeakPolarHBondContact O-CB 3.49Å; V325-Y328 PolarHBondContact O-N 3.23Å; V325-Y328 VanDerWaalsContact O-N 3.12Å; V325-F329 HydrophobicContact CG1-CD2 3.55Å; V325-F329 HydrophobicContact CG1-CE2 3.59Å; V325-F329 VanDerWaalsContact O-CD2 3.24Å; V325-F329 WeakPolarHBondContact O-CD2 3.36Å; V325-F329 PolarHBondContact O-N 2.87Å; V325-L347 HydrophobicContact CG2-CD2 4.42Å |
| 326 | D | 71.9 | Confident | 65.6 | Low | 72 Ų | 72 | 69.5 Ų | 69.5 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.5 | -51.2 | 176.4 | -63.9 | -32.9 | 0 | 0 | 0 | 110.8 | I302 Q322 Y328 F329 D330 | I302-D326 VanDerWaalsContact CD1-OD1 3.26Å; I302-D326 WeakPolarHBondContact CD1-OD1 3.28Å; Q322-D326 VanDerWaalsContact O-CG 3.28Å; Q322-D326 PolarHBondContact O-N 3.18Å; D326-Y328 PolarHBondContact O-N 3.45Å; D326-F329 PolarHBondContact O-N 3.45Å; D326-F329 VanDerWaalsContact O-N 3.1Å; D326-D330 WeakPolarHBondContact O-CB 3.22Å; D326-D330 PolarHBondContact O-N 3.28Å |
| 327 | D | 73.1 | Confident | 64.9 | Low | 88 Ų | 88 | 70.2 Ų | 70.2 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.5 | -34.9 | 174.8 | -176.6 | 45 | 0 | 0 | 0 | 111.9 | T323 N331 | T323-D327 WeakPolarHBondContact O-CB 3.21Å; T323-D327 PolarHBondContact O-N 3.27Å; T323-D327 VanDerWaalsContact O-N 3.14Å; D327-N331 WeakPolarHBondContact O-CB 3.37Å; D327-N331 PolarHBondContact O-N 3.11Å; D327-N331 PolarHBondContact O-ND2 3.16Å; D327-N331 PolarHBondContact OD1-ND2 3.31Å |
| 328 | Y | 71.5 | Confident | 64.1 | Low | 64 Ų | 64 | 77.6 Ų | 77.6 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69 | -42.9 | 174.8 | -172.9 | -94.8 | 0 | 0 | 0 | 112.5 | I324 V325 D326 A332 L347 V474 H476 | I324-Y328 WeakPolarHBondContact O-CB 3.09Å; I324-Y328 PolarHBondContact O-N 3.33Å; V325-Y328 WeakPolarHBondContact O-CB 3.49Å; V325-Y328 PolarHBondContact O-N 3.23Å; V325-Y328 VanDerWaalsContact O-N 3.12Å; D326-Y328 PolarHBondContact O-N 3.45Å; Y328-A332 VanDerWaalsContact O-CB 3.28Å; Y328-A332 WeakPolarHBondContact O-CB 3.48Å; Y328-A332 PolarHBondContact O-N 3.41Å; Y328-L347 HydrophobicContact CD1-CD1 4.18Å; Y328-L347 HydrophobicContact CD1-CD2 3.87Å; Y328-L347 HydrophobicContact CE1-CD1 3.83Å; Y328-L347 HydrophobicContact CE1-CD2 4.36Å; Y328-L347 HydrophobicContact CG-CD2 4.22Å; Y328-V474 HydrophobicContact CE1-CG1 4.08Å; Y328-V474 WeakPolarHBondContact OH-CG1 3.28Å; Y328-H476 AromaticContact CD2-CD2 3.49Å; Y328-H476 VanDerWaalsContact CD2-CD2 3.49Å; Y328-H476 WeakPolarHBondContact CD2-CD2 3.26Å; Y328-H476 AromaticContact CD2-NE2 3.92Å; Y328-H476 AromaticContact CG-CD2 3.93Å |
| 329 | F | 70 | Confident | 63.1 | Low | 20 Ų | 20 | 76.2 Ų | 76.2 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73 | -42.1 | -178.9 | -83.5 | -72.3 | 0 | 0 | 0 | 113 | Y294 V325 D326 N331 A332 E333 L345 | Y294-F329 HydrophobicContact CD1-CD1 4.1Å; Y294-F329 AromaticContact CD1-CE1 3.84Å; Y294-F329 HydrophobicContact CD1-CE1 3.84Å; Y294-F329 HydrophobicContact CD1-CZ 4.17Å; Y294-F329 HydrophobicContact CD2-CD2 4.36Å; Y294-F329 HydrophobicContact CD2-CE2 4.33Å; Y294-F329 HydrophobicContact CE1-CD1 4.42Å; Y294-F329 HydrophobicContact CG-CD1 4.35Å; Y294-F329 HydrophobicContact CG-CD2 4.33Å; Y294-F329 AromaticContact CG-CE1 3.98Å; Y294-F329 HydrophobicContact CG-CE1 3.98Å; Y294-F329 AromaticContact CG-CE2 4Å; Y294-F329 HydrophobicContact CG-CE2 4Å; Y294-F329 AromaticContact CG-CZ 3.83Å; Y294-F329 HydrophobicContact CG-CZ 3.83Å; V325-F329 HydrophobicContact CG1-CD2 3.55Å; V325-F329 HydrophobicContact CG1-CE2 3.59Å; V325-F329 VanDerWaalsContact O-CD2 3.24Å; V325-F329 WeakPolarHBondContact O-CD2 3.36Å; V325-F329 PolarHBondContact O-N 2.87Å; D326-F329 PolarHBondContact O-N 3.45Å; D326-F329 VanDerWaalsContact O-N 3.1Å; F329-N331 VanDerWaalsContact C-N 3.3Å; F329-N331 PolarHBondContact O-N 3.17Å; F329-A332 WeakPolarHBondContact O-CB 3.43Å; F329-A332 PolarHBondContact O-N 2.76Å; F329-A332 VanDerWaalsContact O-N 3.09Å; F329-E333 PolarHBondContact O-N 3.01Å; F329-L345 HydrophobicContact CD1-CD2 4.38Å; F329-L345 HydrophobicContact CE1-CB 3.71Å; F329-L345 HydrophobicContact CE1-CD2 3.38Å; F329-L345 HydrophobicContact CE1-CG 4.13Å; F329-L345 HydrophobicContact CZ-CB 3.95Å; F329-L345 HydrophobicContact CZ-CD2 3.82Å; F329-L345 HydrophobicContact CZ-CG 4.46Å |
| 330 | D | 67.9 | Low | 62 | Low | 112 Ų | 112 | 76 Ų | 76 | 60% | 0.599 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.4 | -39.2 | 174.9 | -76.3 | -10.3 | 0 | 0 | 0 | 111.6 | D326 N334 | D326-D330 WeakPolarHBondContact O-CB 3.22Å; D326-D330 PolarHBondContact O-N 3.28Å; D330-N334 PolarHBondContact O-ND2 2.9Å |
| 331 | N | 64.8 | Low | 61.1 | Low | 78 Ų | 78 | 75.9 Ų | 75.9 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -75 | -31.3 | 173.8 | -74.3 | -61.6 | 0 | 0 | 0 | 112.4 | D327 F329 E333 N334 I335 | D327-N331 WeakPolarHBondContact O-CB 3.37Å; D327-N331 PolarHBondContact O-N 3.11Å; D327-N331 PolarHBondContact O-ND2 3.16Å; D327-N331 PolarHBondContact OD1-ND2 3.31Å; F329-N331 VanDerWaalsContact C-N 3.3Å; F329-N331 PolarHBondContact O-N 3.17Å; N331-E333 PolarHBondContact O-N 3.43Å; N331-N334 PolarHBondContact O-N 3.07Å; N331-N334 VanDerWaalsContact O-N 3.17Å; N331-I335 WeakPolarHBondContact O-CD1 3.44Å; N331-I335 WeakPolarHBondContact O-CG1 3.42Å |
| 332 | A | 58.6 | Low | 60.1 | Low | 21 Ų | 21 | 83.4 Ų | 83.4 | 17% | 0.174 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y328 F329 N334 I335 T336 | Y328-A332 VanDerWaalsContact O-CB 3.28Å; Y328-A332 WeakPolarHBondContact O-CB 3.48Å; Y328-A332 PolarHBondContact O-N 3.41Å; F329-A332 WeakPolarHBondContact O-CB 3.43Å; F329-A332 PolarHBondContact O-N 2.76Å; F329-A332 VanDerWaalsContact O-N 3.09Å; A332-N334 PolarHBondContact O-N 3.36Å; A332-N334 VanDerWaalsContact O-N 3.14Å; A332-I335 PolarHBondContact O-N 3.37Å; A332-T336 PolarHBondContact O-N 3.29Å |
| 333 | E | 53.8 | Low | 59.3 | Low | 121 Ų | 121 | 85.8 Ų | 85.8 | 57% | 0.565 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.7 | 175.1 | -63.8 | -152.8 | 141.8 | 0 | 0 | 113.2 | K296 F329 N331 | K296-E333 IonicContact NZ-OE1 2.61Å; K296-E333 PolarHBondContact NZ-OE1 3.46Å; F329-E333 PolarHBondContact O-N 3.01Å; N331-E333 PolarHBondContact O-N 3.43Å |
| 334 | N | 51 | Low | 58.6 | Low | 140 Ų | 140 | 85.6 Ų | 85.6 | 75% | 0.749 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -11.6 | 176 | -71.5 | -67.4 | 0 | 0 | 0 | 114.3 | D330 N331 A332 | D330-N334 PolarHBondContact O-ND2 2.9Å; N331-N334 PolarHBondContact O-N 3.07Å; N331-N334 VanDerWaalsContact O-N 3.17Å; A332-N334 PolarHBondContact O-N 3.36Å; A332-N334 VanDerWaalsContact O-N 3.14Å |
| 335 | I | 50.8 | Low | 58.4 | Low | 128 Ų | 128 | 86.4 Ų | 86.4 | 66% | 0.656 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | -34.1 | -168.2 | -63.2 | 168.1 | 0 | 0 | 0 | 112.5 | N331 A332 | N331-I335 WeakPolarHBondContact O-CD1 3.44Å; N331-I335 WeakPolarHBondContact O-CG1 3.42Å; A332-I335 PolarHBondContact O-N 3.37Å |
| 336 | T | 49 | Very low | 58.2 | Low | 73 Ų | 73 | 88.6 Ų | 88.6 | 45% | 0.448 | 48% | 0.476 | S | S | . | . | trans | -138.4 | 92.1 | -178.9 | 40.7 | 0 | 0 | 0 | 0 | 112.6 | A332 E338 A339 | A332-T336 PolarHBondContact O-N 3.29Å; T336-E338 PolarHBondContact O-N 3.11Å; T336-A339 WeakPolarHBondContact O-CB 3.49Å; T336-A339 PolarHBondContact O-N 2.73Å | ||
| 337 | P | 48.7 | Very low | 58.5 | Low | 103 Ų | 103 | 85.2 Ų | 85.2 | 67% | 0.669 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -61.4 | -19.1 | 179.9 | 23 | -32.9 | 0 | 0 | 0 | 114.2 | A339 T340 | P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 3.26Å; P337-T340 WeakPolarHBondContact O-CG2 3.47Å; P337-T340 PolarHBondContact O-N 2.81Å; P337-T340 PolarHBondContact O-OG1 3.49Å |
| 338 | E | 48 | Very low | 58.7 | Low | 166 Ų | 166 | 81.9 Ų | 81.9 | 78% | 0.776 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -70.9 | -20.2 | 175.6 | -62.3 | -179.5 | 163.9 | 0 | 0 | 113.7 | T336 T340 S341 | T336-E338 PolarHBondContact O-N 3.11Å; E338-T340 PolarHBondContact O-N 3.12Å; E338-S341 PolarHBondContact O-N 3.08Å; E338-S341 PolarHBondContact O-OG 2.95Å |
| 339 | A | 47.4 | Very low | 59.1 | Low | 39 Ų | 39 | 78.9 Ų | 78.9 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -67.7 | -13.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T336 P337 S341 | T336-A339 WeakPolarHBondContact O-CB 3.49Å; T336-A339 PolarHBondContact O-N 2.73Å; P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 3.26Å; A339-S341 PolarHBondContact O-N 3.46Å |
| 340 | T | 47.1 | Very low | 59.5 | Low | 102 Ų | 102 | 77.9 Ų | 77.9 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -65.9 | -11.7 | 177 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | P337 E338 | P337-T340 WeakPolarHBondContact O-CG2 3.47Å; P337-T340 PolarHBondContact O-N 2.81Å; P337-T340 PolarHBondContact O-OG1 3.49Å; E338-T340 PolarHBondContact O-N 3.12Å |
| 341 | S | 48.8 | Very low | 59.7 | Low | 81 Ų | 81 | 72.6 Ų | 72.6 | 57% | 0.566 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -88.9 | -13.2 | -177.5 | 61 | 0 | 0 | 0 | 0 | 115.4 | E338 A339 | E338-S341 PolarHBondContact O-N 3.08Å; E338-S341 PolarHBondContact O-OG 2.95Å; A339-S341 PolarHBondContact O-N 3.46Å |
| 342 | Y | 51.6 | Low | 60 | Low | 157 Ų | 157 | 68.9 Ų | 68.9 | 62% | 0.616 | 38% | 0.375 | S | S | * | . | trans | -96.9 | 122.8 | -177.1 | -70.2 | -85.6 | 0 | 0 | 0 | 111.7 | S344 | Y342-S344 VanDerWaalsContact C-N 3.26Å; Y342-S344 PolarHBondContact O-N 3.42Å | ||
| 343 | H | 55.2 | Low | 60.3 | Low | 140 Ų | 140 | 67.9 Ų | 67.9 | 65% | 0.648 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -66 | -26.4 | 178 | -73 | -65.6 | 0 | 0 | 0 | 113.5 | K296 T297 | K296-H343 PolarHBondContact N-O 2.83Å; T297-H343 HydrophobicContact CG2-CB 4.12Å; T297-H343 VanDerWaalsContact CG2-ND1 3.27Å; T297-H343 WeakPolarHBondContact CG2-ND1 3.31Å |
| 344 | S | 59.9 | Low | 60.8 | Low | 66 Ų | 66 | 62.4 Ų | 62.4 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133.6 | 173.4 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | Y294 Y342 | Y294-S344 CarbonylContact O-C 3.58Å; Y294-S344 VanDerWaalsContact O-CA 3.25Å; Y294-S344 WeakPolarHBondContact O-CA 3.06Å; Y342-S344 VanDerWaalsContact C-N 3.26Å; Y342-S344 PolarHBondContact O-N 3.42Å |
| 345 | L | 65.5 | Low | 61 | Low | 43 Ų | 43 | 56.2 Ų | 56.2 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 143 | 171.4 | -151 | 86.7 | 0 | 0 | 0 | 109.8 | T293 Y294 F329 | T293-L345 WeakPolarHBondContact CA-O 3.42Å; Y294-L345 PolarHBondContact N-O 3.43Å; Y294-L345 PolarHBondContact O-N 3.34Å; F329-L345 HydrophobicContact CD1-CD2 4.38Å; F329-L345 HydrophobicContact CE1-CB 3.71Å; F329-L345 HydrophobicContact CE1-CD2 3.38Å; F329-L345 HydrophobicContact CE1-CG 4.13Å; F329-L345 HydrophobicContact CZ-CB 3.95Å; F329-L345 HydrophobicContact CZ-CD2 3.82Å; F329-L345 HydrophobicContact CZ-CG 4.46Å |
| 346 | T | 67.1 | Low | 61.2 | Low | 47 Ų | 47 | 51.1 Ų | 51.1 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.3 | 173.8 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | K291 I292 T293 F348 | K291-T346 HydrophobicContact CD-CG2 4.19Å; K291-T346 HydrophobicContact CG-CG2 3.67Å; I292-T346 CarbonylContact O-C 3.57Å; I292-T346 WeakPolarHBondContact O-CA 3.35Å; T293-T346 PolarHBondContact OG1-OG1 2.96Å; T293-T346 VanDerWaalsContact OG1-OG1 3.08Å; T346-F348 HydrophobicContact CG2-CE2 4.1Å |
| 347 | L | 78.7 | Confident | 61 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.6 | 179.1 | 178.3 | 67 | 0 | 0 | 0 | 109.3 | I292 V325 Y328 V474 H476 | I292-L347 HydrophobicContact CB-CB 4.49Å; I292-L347 WeakPolarHBondContact CB-O 3.31Å; I292-L347 PolarHBondContact N-O 3.46Å; I292-L347 PolarHBondContact O-N 2.68Å; V325-L347 HydrophobicContact CG2-CD2 4.42Å; Y328-L347 HydrophobicContact CD1-CD1 4.18Å; Y328-L347 HydrophobicContact CD1-CD2 3.87Å; Y328-L347 HydrophobicContact CE1-CD1 3.83Å; Y328-L347 HydrophobicContact CE1-CD2 4.36Å; Y328-L347 HydrophobicContact CG-CD2 4.22Å; L347-V474 WeakPolarHBondContact CA-O 3.32Å; L347-V474 HydrophobicContact CD1-CB 4.31Å; L347-V474 HydrophobicContact CD1-CG1 3.71Å; L347-H476 HydrophobicContact CD1-CB 4.06Å; L347-H476 HydrophobicContact CD2-CB 4.44Å; L347-H476 HydrophobicContact CG-CB 4.39Å |
| 348 | F | 77.2 | Confident | 61 | Low | 17 Ų | 17 | 49.9 Ų | 49.9 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.5 | 169.4 | -73.9 | -91 | 0 | 0 | 0 | 110.4 | F289 V290 K291 T346 P350 M473 V474 V475 H476 | F289-F348 HydrophobicContact CB-CD1 4.45Å; V290-F348 WeakPolarHBondContact O-CA 3.46Å; K291-F348 HydrophobicContact CB-CD1 4.31Å; K291-F348 HydrophobicContact CB-CE1 3.94Å; K291-F348 HydrophobicContact CB-CZ 4.45Å; K291-F348 HydrophobicContact CG-CE1 4.25Å; K291-F348 HydrophobicContact CG-CZ 4.27Å; T346-F348 HydrophobicContact CG2-CE2 4.1Å; F348-P350 WeakPolarHBondContact O-CD 3.47Å; F348-M473 HydrophobicContact CD2-CB 4.21Å; F348-M473 HydrophobicContact CD2-SD 4.33Å; F348-M473 HydrophobicContact CE2-CB 4.16Å; F348-M473 HydrophobicContact CE2-CG 4.18Å; F348-M473 HydrophobicContact CE2-SD 3.5Å; F348-M473 WeakPolarHBondContact CE2-SD 3.39Å; F348-M473 HydrophobicContact CZ-SD 4Å; F348-V474 PolarHBondContact N-O 3.15Å; F348-V475 HydrophobicContact CB-CG1 4.44Å; F348-V475 HydrophobicContact CB-CG2 4.43Å; F348-V475 WeakPolarHBondContact O-CA 3.45Å; F348-V475 WeakPolarHBondContact O-CG1 3.49Å; F348-H476 PolarHBondContact O-N 2.99Å |
| 349 | L | 80.3 | Confident | 60.9 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 111.6 | 175.4 | -179.5 | 63.1 | 0 | 0 | 0 | 109.7 | V290 I292 I321 I324 I351 H476 | V290-L349 PolarHBondContact N-O 3.48Å; V290-L349 PolarHBondContact O-N 3.21Å; I292-L349 HydrophobicContact CD1-CB 3.82Å; I292-L349 HydrophobicContact CD1-CD2 4.06Å; I321-L349 HydrophobicContact CB-CD2 4.43Å; I321-L349 HydrophobicContact CG1-CD2 3.93Å; I321-L349 HydrophobicContact CG2-CD2 4.02Å; I324-L349 HydrophobicContact CG2-CD1 4.43Å; L349-I351 HydrophobicContact CG-CG1 4.32Å; L349-I351 PolarHBondContact O-N 3.22Å; L349-H476 HydrophobicContact CD1-CB 3.75Å |
| 350 | P | 77.7 | Confident | 60.5 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127 | 171.6 | 21 | -24.9 | 0 | 0 | 0 | 111 | F289 F348 V461 V475 P479 L480 | F289-P350 HydrophobicContact CD1-CB 3.99Å; F289-P350 HydrophobicContact CE1-CB 3.66Å; F289-P350 HydrophobicContact CE1-CG 4.16Å; F289-P350 HydrophobicContact CZ-CB 3.96Å; F348-P350 WeakPolarHBondContact O-CD 3.47Å; P350-V461 HydrophobicContact CB-CG1 3.7Å; P350-V461 HydrophobicContact CB-CG2 4.22Å; P350-V461 HydrophobicContact CG-CG1 3.85Å; P350-V475 HydrophobicContact CG-CG1 4.4Å; P350-P479 HydrophobicContact CB-CB 4.04Å; P350-P479 HydrophobicContact CG-CB 3.94Å; P350-P479 CarbonylContact O-C 3.55Å; P350-P479 WeakPolarHBondContact O-CA 3.4Å; P350-L480 PolarHBondContact O-N 3.36Å |
| 351 | I | 72.9 | Confident | 60.3 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.7 | 174.6 | -49.3 | -172 | 0 | 0 | 0 | 109.2 | E288 V290 I307 I321 L349 F353 L480 V482 | E288-I351 PolarHBondContact N-O 3.39Å; E288-I351 PolarHBondContact O-N 3.48Å; V290-I351 HydrophobicContact CB-CD1 4.33Å; V290-I351 HydrophobicContact CG2-CD1 3.55Å; V290-I351 HydrophobicContact CG2-CG1 4.03Å; I307-I351 HydrophobicContact CD1-CD1 4.26Å; I321-I351 HydrophobicContact CD1-CD1 4.02Å; L349-I351 HydrophobicContact CG-CG1 4.32Å; L349-I351 PolarHBondContact O-N 3.22Å; I351-F353 HydrophobicContact CB-CE2 3.96Å; I351-F353 HydrophobicContact CB-CZ 4.06Å; I351-F353 HydrophobicContact CD1-CZ 4.36Å; I351-F353 HydrophobicContact CG2-CD1 4.19Å; I351-F353 HydrophobicContact CG2-CD2 4.14Å; I351-F353 HydrophobicContact CG2-CE1 3.73Å; I351-F353 HydrophobicContact CG2-CE2 3.67Å; I351-F353 HydrophobicContact CG2-CG 4.38Å; I351-F353 HydrophobicContact CG2-CZ 3.42Å; I351-F353 VanDerWaalsContact CG2-CZ 3.42Å; I351-L480 CarbonylContact C-O 3.55Å; I351-L480 WeakPolarHBondContact CA-O 3.34Å; I351-L480 HydrophobicContact CG1-CB 4.33Å; I351-L480 HydrophobicContact CG2-CB 4.38Å; I351-V482 HydrophobicContact CG2-CB 4.42Å; I351-V482 HydrophobicContact CG2-CG2 3.71Å |
| 352 | I | 71.1 | Confident | 60 | Low | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 103.4 | 175.6 | -57.3 | 173.7 | 0 | 0 | 0 | 107.5 | V286 L354 A457 L458 V461 P479 L480 T481 V482 | V286-I352 CarbonylContact O-C 3.57Å; V286-I352 WeakPolarHBondContact O-CA 3.38Å; I352-L354 HydrophobicContact CG2-CD2 4.37Å; I352-L354 HydrophobicContact CG2-CG 4.48Å; I352-A457 HydrophobicContact CD1-CB 4.02Å; I352-A457 HydrophobicContact CG1-CB 4.35Å; I352-A457 HydrophobicContact CG2-CB 3.8Å; I352-L458 HydrophobicContact CD1-CD2 3.79Å; I352-L458 HydrophobicContact CD1-CG 4.18Å; I352-V461 HydrophobicContact CD1-CG2 4.26Å; I352-V461 HydrophobicContact CG1-CG2 4.2Å; I352-P479 HydrophobicContact CD1-CB 4.1Å; I352-P479 HydrophobicContact CD1-CG 4.27Å; I352-P479 HydrophobicContact CG1-CB 4.35Å; I352-L480 PolarHBondContact N-O 3.04Å; I352-T481 WeakPolarHBondContact O-CA 3.47Å; I352-V482 PolarHBondContact O-N 3.21Å |
| 353 | F | 65.1 | Low | 59.3 | Low | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124 | 172.6 | -61.4 | -76 | 0 | 0 | 0 | 110.1 | V286 E288 I307 F309 V310 L317 I351 V482 V484 | V286-F353 HydrophobicContact CB-CB 4.21Å; V286-F353 PolarHBondContact N-O 3.47Å; V286-F353 PolarHBondContact O-N 3.45Å; E288-F353 HydrophobicContact CB-CD2 4.34Å; E288-F353 HydrophobicContact CB-CE2 3.96Å; E288-F353 WeakPolarHBondContact OE2-CE2 3.46Å; I307-F353 HydrophobicContact CG2-CE1 4.32Å; I307-F353 HydrophobicContact CG2-CE2 3.92Å; I307-F353 HydrophobicContact CG2-CZ 3.4Å; F309-F353 HydrophobicContact CB-CD2 3.72Å; F309-F353 HydrophobicContact CB-CE2 3.79Å; F309-F353 HydrophobicContact CB-CG 4.33Å; F309-F353 HydrophobicContact CB-CZ 4.46Å; F309-F353 HydrophobicContact CD1-CB 3.47Å; F309-F353 VanDerWaalsContact CD1-CB 3.47Å; F309-F353 AromaticContact CD1-CD1 3.89Å; F309-F353 HydrophobicContact CD1-CD1 3.89Å; F309-F353 AromaticContact CD1-CD2 3.66Å; F309-F353 HydrophobicContact CD1-CD2 3.66Å; F309-F353 HydrophobicContact CD1-CE2 4.35Å; F309-F353 AromaticContact CD1-CG 3.39Å; F309-F353 HydrophobicContact CD1-CG 3.39Å; F309-F353 HydrophobicContact CE1-CB 3.74Å; F309-F353 HydrophobicContact CE1-CG 4.15Å; F309-F353 HydrophobicContact CG-CB 4.3Å; F309-F353 AromaticContact CG-CD2 3.86Å; F309-F353 HydrophobicContact CG-CD2 3.86Å; F309-F353 HydrophobicContact CG-CE2 4.41Å; F309-F353 HydrophobicContact CG-CG 4.08Å; V310-F353 HydrophobicContact CG2-CD1 4.23Å; V310-F353 HydrophobicContact CG2-CE1 3.94Å; V310-F353 HydrophobicContact CG2-CZ 4.43Å; L317-F353 HydrophobicContact CD2-CE1 4.41Å; I351-F353 HydrophobicContact CB-CE2 3.96Å; I351-F353 HydrophobicContact CB-CZ 4.06Å; I351-F353 HydrophobicContact CD1-CZ 4.36Å; I351-F353 HydrophobicContact CG2-CD1 4.19Å; I351-F353 HydrophobicContact CG2-CD2 4.14Å; I351-F353 HydrophobicContact CG2-CE1 3.73Å; I351-F353 HydrophobicContact CG2-CE2 3.67Å; I351-F353 HydrophobicContact CG2-CG 4.38Å; I351-F353 HydrophobicContact CG2-CZ 3.42Å; I351-F353 VanDerWaalsContact CG2-CZ 3.42Å; F353-V482 CarbonylContact C-O 3.59Å; F353-V482 WeakPolarHBondContact CA-O 3.22Å; F353-V482 HydrophobicContact CD1-CB 3.67Å; F353-V482 HydrophobicContact CD1-CG1 3.89Å; F353-V482 HydrophobicContact CD1-CG2 4.35Å; F353-V482 HydrophobicContact CE1-CB 3.87Å; F353-V482 HydrophobicContact CE1-CG1 3.96Å; F353-V482 HydrophobicContact CE1-CG2 4.09Å; F353-V484 HydrophobicContact CB-CG2 4.16Å; F353-V484 HydrophobicContact CD1-CG2 3.56Å; F353-V484 HydrophobicContact CE1-CG2 4.43Å; F353-V484 HydrophobicContact CG-CG2 4.29Å |
| 354 | L | 63.2 | Low | 58.6 | Low | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 101.8 | 174.9 | -65.1 | 168.2 | 0 | 0 | 0 | 108.9 | I352 I450 V453 I454 T481 V482 I483 V484 | I352-L354 HydrophobicContact CG2-CD2 4.37Å; I352-L354 HydrophobicContact CG2-CG 4.48Å; L354-I450 HydrophobicContact CD1-CG2 4.42Å; L354-V453 HydrophobicContact CD2-CG1 3.89Å; L354-I454 HydrophobicContact CD1-CD1 3.57Å; L354-I454 HydrophobicContact CD1-CG1 3.61Å; L354-I454 HydrophobicContact CD2-CG1 3.85Å; L354-I454 HydrophobicContact CG-CG1 4.3Å; L354-T481 HydrophobicContact CD1-CG2 3.52Å; L354-T481 HydrophobicContact CG-CG2 4.17Å; L354-V482 PolarHBondContact N-O 3.47Å; L354-I483 HydrophobicContact CD1-CG1 4.25Å; L354-V484 PolarHBondContact O-N 3.45Å |
| 355 | V | 55.5 | Low | 57.5 | Low | 10 Ų | 10 | 42.4 Ų | 42.4 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.2 | 179 | -165.1 | 0 | 0 | 0 | 0 | 109.7 | I284 V286 F309 V484 I489 | I284-V355 HydrophobicContact CB-CB 4.15Å; I284-V355 HydrophobicContact CB-CG2 4.2Å; I284-V355 PolarHBondContact N-O 2.93Å; I284-V355 PolarHBondContact O-N 2.73Å; V286-V355 HydrophobicContact CG2-CG2 4.38Å; F309-V355 HydrophobicContact CE1-CG2 3.74Å; F309-V355 HydrophobicContact CE2-CG2 4.3Å; F309-V355 HydrophobicContact CZ-CG2 3.3Å; V355-V484 WeakPolarHBondContact CA-O 3.47Å; V355-I489 HydrophobicContact CG1-CD1 3.96Å |
| 356 | C | 54.8 | Low | 56.2 | Low | 21 Ų | 21 | 42.6 Ų | 42.6 | 14% | 0.142 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 119.5 | 173.9 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | Q358 L359 V484 E486 | C356-Q358 PolarHBondContact O-N 3.04Å; C356-L359 HydrophobicContact CB-CD1 3.7Å; C356-V484 PolarHBondContact N-O 3.46Å; C356-E486 PolarHBondContact O-N 2.93Å |
| 357 | D | 46.5 | Very low | 54.7 | Low | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -53.6 | -37.5 | 176.1 | 178.1 | 32.4 | 0 | 0 | 0 | 112.7 | I278 E486 | I278-D357 WeakPolarHBondContact CD1-OD2 3.44Å; D357-E486 VanDerWaalsContact CB-OE2 3.31Å; D357-E486 WeakPolarHBondContact CB-OE2 3.35Å |
| 358 | Q | 47.5 | Very low | 52.8 | Low | 100 Ų | 100 | 52 Ų | 52 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -94.6 | -3.4 | -163 | -61 | -81 | -71.5 | 0 | 0 | 114.8 | I278 C356 T360 D361 | I278-Q358 HydrophobicContact CD1-CG 4.17Å; C356-Q358 PolarHBondContact O-N 3.04Å; Q358-T360 PolarHBondContact O-N 3.13Å; Q358-D361 PolarHBondContact O-N 3.2Å |
| 359 | L | 46.5 | Very low | 50.8 | Low | 34 Ų | 34 | 55.5 Ų | 55.5 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -65.7 | -10.7 | -178.3 | -114.4 | 113.7 | 0 | 0 | 0 | 114.1 | C356 D361 F362 K363 I483 A485 | C356-L359 HydrophobicContact CB-CD1 3.7Å; L359-D361 VanDerWaalsContact C-N 3.28Å; L359-D361 PolarHBondContact O-N 2.8Å; L359-F362 WeakPolarHBondContact O-CB 3.22Å; L359-F362 PolarHBondContact O-N 3.19Å; L359-F362 VanDerWaalsContact O-N 3.1Å; L359-K363 PolarHBondContact O-N 3.26Å; L359-I483 HydrophobicContact CD1-CG2 3.46Å; L359-I483 VanDerWaalsContact CD1-CG2 3.46Å; L359-I483 HydrophobicContact CD2-CG2 3.7Å; L359-I483 HydrophobicContact CG-CG2 4.19Å; L359-A485 HydrophobicContact CB-CB 4.4Å |
| 360 | T | 38.9 | Very low | 49.1 | Very low | 26 Ų | 26 | 58.9 Ų | 58.9 | 16% | 0.16 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -72.2 | -19.5 | -179.8 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | Q358 F362 A485 K487 | Q358-T360 PolarHBondContact O-N 3.13Å; T360-F362 VanDerWaalsContact C-N 3.34Å; T360-A485 HydrophobicContact CG2-CB 4.12Å; T360-K487 VanDerWaalsContact CB-NZ 3.32Å; T360-K487 HydrophobicContact CG2-CB 4.25Å; T360-K487 HydrophobicContact CG2-CD 3.52Å; T360-K487 HydrophobicContact CG2-CG 3.95Å; T360-K487 PolarHBondContact OG1-NZ 2.85Å |
| 361 | D | 41.8 | Very low | 47.7 | Very low | 121 Ų | 121 | 60.9 Ų | 60.9 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.8 | 171.5 | -69.8 | -3.4 | 0 | 0 | 0 | 111 | Q358 L359 T364 | Q358-D361 PolarHBondContact O-N 3.2Å; L359-D361 VanDerWaalsContact C-N 3.28Å; L359-D361 PolarHBondContact O-N 2.8Å; D361-T364 PolarHBondContact O-OG1 3.46Å |
| 362 | F | 43.6 | Very low | 46.6 | Very low | 77 Ų | 77 | 63.1 Ų | 63.1 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -32.6 | 169.4 | -73.9 | -91.8 | 0 | 0 | 0 | 112.5 | L359 T360 T364 N365 L366 H387 | L359-F362 WeakPolarHBondContact O-CB 3.22Å; L359-F362 PolarHBondContact O-N 3.19Å; L359-F362 VanDerWaalsContact O-N 3.1Å; T360-F362 VanDerWaalsContact C-N 3.34Å; F362-T364 PolarHBondContact O-N 3.48Å; F362-N365 PolarHBondContact O-N 3.35Å; F362-L366 HydrophobicContact CB-CD1 3.83Å; F362-L366 HydrophobicContact CD1-CD1 4.38Å; F362-L366 VanDerWaalsContact O-CD1 3.31Å; F362-L366 WeakPolarHBondContact O-CD1 3.5Å; F362-L366 PolarHBondContact O-N 3.31Å; F362-H387 AromaticContact CD1-CD2 3.84Å; F362-H387 AromaticContact CD1-NE2 3.34Å; F362-H387 VanDerWaalsContact CD1-NE2 3.34Å; F362-H387 WeakPolarHBondContact CD1-NE2 3.49Å; F362-H387 AromaticContact CE1-CD2 3.68Å; F362-H387 AromaticContact CE1-NE2 3.43Å; F362-H387 WeakPolarHBondContact CE1-NE2 3.43Å |
| 363 | K | 37.3 | Very low | 45.6 | Very low | 95 Ų | 95 | 63.6 Ų | 63.6 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -9.4 | -177.3 | -153.1 | 172.3 | -173.1 | 171.2 | 0 | 114.8 | E314 L359 F371 | E314-K363 IonicContact OE1-NZ 3.57Å; L359-K363 PolarHBondContact O-N 3.26Å; K363-F371 HydrophobicContact CD-CE2 4.44Å; K363-F371 HydrophobicContact CD-CZ 4.1Å; K363-F371 HydrophobicContact CG-CZ 4.42Å |
| 364 | T | 40.1 | Very low | 44.7 | Very low | 108 Ų | 108 | 67.9 Ų | 67.9 | 66% | 0.663 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10.4 | 175.9 | 56.7 | 0 | 0 | 0 | 0 | 115.1 | D361 F362 | D361-T364 PolarHBondContact O-OG1 3.46Å; F362-T364 PolarHBondContact O-N 3.48Å |
| 365 | N | 37.3 | Very low | 43.9 | Very low | 133 Ų | 133 | 69.1 Ų | 69.1 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | -0.8 | -177.6 | -67 | -70.2 | 0 | 0 | 0 | 114.8 | F362 | F362-N365 PolarHBondContact O-N 3.35Š|
| 366 | L | 36.8 | Very low | 43.7 | Very low | 48 Ų | 48 | 74.9 Ų | 74.9 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -87.7 | 137.3 | 166.4 | -81.3 | 89.4 | 0 | 0 | 0 | 109.8 | F362 Q370 | F362-L366 HydrophobicContact CB-CD1 3.83Å; F362-L366 HydrophobicContact CD1-CD1 4.38Å; F362-L366 VanDerWaalsContact O-CD1 3.31Å; F362-L366 WeakPolarHBondContact O-CD1 3.5Å; F362-L366 PolarHBondContact O-N 3.31Å; L366-Q370 HydrophobicContact CD2-CB 4.05Å |
| 367 | P | 35.4 | Very low | 43.4 | Very low | 75 Ų | 75 | 77.9 Ų | 77.9 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | trans | -62.4 | 142.8 | 166 | 28.3 | -32.8 | 0 | 0 | 0 | 109.5 | S369 Q370 | P367-S369 PolarHBondContact O-N 3.02Å; P367-Q370 HydrophobicContact CG-CG 4.21Å; P367-Q370 PolarHBondContact O-N 2.72Å | ||
| 368 | E | 39.3 | Very low | 43.3 | Very low | 169 Ų | 169 | 79.1 Ų | 79.1 | 79% | 0.79 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -57.9 | -18.6 | -172 | -64.8 | 174.1 | 141.5 | 0 | 0 | 113.5 | Q370 | E368-Q370 VanDerWaalsContact C-N 3.32Å; E368-Q370 PolarHBondContact O-N 2.9Å |
| 369 | S | 36.4 | Very low | 43.4 | Very low | 92 Ų | 92 | 75.4 Ų | 75.4 | 64% | 0.643 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -76.7 | 4.4 | 178.6 | 58.3 | 0 | 0 | 0 | 0 | 116.8 | P367 | P367-S369 PolarHBondContact O-N 3.02Š|
| 370 | Q | 43.6 | Very low | 43.6 | Very low | 71 Ų | 71 | 74.4 Ų | 74.4 | 33% | 0.332 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -106.2 | 14.4 | -175.4 | -74 | -166.9 | 0.1 | 0 | 0 | 116.4 | L366 P367 E368 L372 | L366-Q370 HydrophobicContact CD2-CB 4.05Å; P367-Q370 HydrophobicContact CG-CG 4.21Å; P367-Q370 PolarHBondContact O-N 2.72Å; E368-Q370 VanDerWaalsContact C-N 3.32Å; E368-Q370 PolarHBondContact O-N 2.9Å; Q370-L372 PolarHBondContact O-N 3.37Å |
| 371 | F | 49 | Very low | 44.1 | Very low | 43 Ų | 43 | 76.2 Ų | 76.2 | 19% | 0.189 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -68.8 | -12.6 | 175.6 | -93.4 | -83.1 | 0 | 0 | 0 | 115.1 | K363 I483 | K363-F371 HydrophobicContact CD-CE2 4.44Å; K363-F371 HydrophobicContact CD-CZ 4.1Å; K363-F371 HydrophobicContact CG-CZ 4.42Å; F371-I483 WeakPolarHBondContact CD1-O 3.26Å; F371-I483 VanDerWaalsContact CE1-O 3.28Å; F371-I483 WeakPolarHBondContact CE1-O 3.48Å; F371-I483 PolarHBondContact O-N 3.17Å |
| 372 | L | 48 | Very low | 44.4 | Very low | 46 Ų | 46 | 77.4 Ų | 77.4 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 121.4 | -177.7 | -76.2 | 152.9 | 0 | 0 | 0 | 111 | H316 L317 R320 Q370 L480 V482 | H316-L372 WeakPolarHBondContact O-CD1 3.45Å; L317-L372 HydrophobicContact CD1-CD2 3.75Å; R320-L372 HydrophobicContact CB-CD1 3.58Å; R320-L372 HydrophobicContact CB-CD2 4.2Å; R320-L372 HydrophobicContact CG-CD1 3.87Å; R320-L372 HydrophobicContact CG-CD2 4Å; R320-L372 HydrophobicContact CG-CG 4.47Å; Q370-L372 PolarHBondContact O-N 3.37Å; L372-L480 HydrophobicContact CD2-CD1 3.86Å; L372-L480 HydrophobicContact CD2-CD2 4.01Å; L372-L480 HydrophobicContact CD2-CG 4.07Å; L372-V482 HydrophobicContact CD2-CG2 4.37Å |
| 373 | V | 51 | Low | 44.6 | Very low | 11 Ų | 11 | 75.8 Ų | 75.8 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 114.9 | 174.3 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | I380 L383 T481 I483 | V373-I380 HydrophobicContact CG1-CG1 4.14Å; V373-L383 HydrophobicContact CG2-CD1 3.69Å; V373-T481 PolarHBondContact N-O 2.97Å; V373-I483 HydrophobicContact CG2-CD1 3.85Å; V373-I483 HydrophobicContact CG2-CG1 4.37Å |
| 374 | D | 46.4 | Very low | 45.1 | Very low | 90 Ų | 90 | 72.5 Ų | 72.5 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | trans | -57 | 145.5 | 173.3 | -84 | -22.9 | 0 | 0 | 0 | 110.9 | R320 H376 | R320-D374 IonicContact CZ-OD1 2.64Å; R320-D374 IonicContact NE-OD1 2.66Å; R320-D374 IonicContact NH2-OD1 3.77Å; R320-D374 PolarHBondContact NH2-OD1 3.43Å; R320-D374 IonicContact NH2-OD2 3.53Å; R320-D374 PolarHBondContact NH2-OD2 2.94Å; D374-H376 PolarHBondContact O-N 2.87Å | ||
| 375 | S | 47 | Very low | 45.4 | Very low | 32 Ų | 32 | 71.1 Ų | 71.1 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -60.5 | 1.8 | -164.4 | 68 | 0 | 0 | 0 | 0 | 117.6 | P479 | S375-P479 WeakPolarHBondContact CB-O 3.42Š|
| 376 | H | 50.6 | Low | 45.6 | Very low | 132 Ų | 132 | 68.8 Ų | 68.8 | 61% | 0.611 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -97.7 | 139.9 | 176 | -75.9 | -82.4 | 0 | 0 | 0 | 111.4 | D374 S378 G379 | D374-H376 PolarHBondContact O-N 2.87Å; H376-S378 WeakPolarHBondContact CB-OG 3.43Å; H376-S378 PolarHBondContact O-N 3.39Å; H376-G379 PolarHBondContact O-N 3.26Å |
| 377 | L | 48.2 | Very low | 45.8 | Very low | 84 Ų | 84 | 69 Ų | 69 | 44% | 0.44 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -51.9 | -22.7 | 174.3 | -93.1 | 77.9 | 0 | 0 | 0 | 113.9 | G379 I380 D381 R451 | L377-G379 VanDerWaalsContact C-N 3.27Å; L377-G379 PolarHBondContact O-N 3.01Å; L377-I380 HydrophobicContact CG-CD1 4.25Å; L377-I380 WeakPolarHBondContact O-CB 3.47Å; L377-I380 PolarHBondContact O-N 2.89Å; L377-D381 PolarHBondContact O-N 2.94Å; L377-R451 HydrophobicContact CD2-CG 4.45Å |
| 378 | S | 44.2 | Very low | 45.9 | Very low | 75 Ų | 75 | 71.4 Ų | 71.4 | 52% | 0.524 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -23.2 | 174.9 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | H376 K382 | H376-S378 WeakPolarHBondContact CB-OG 3.43Å; H376-S378 PolarHBondContact O-N 3.39Å; S378-K382 PolarHBondContact O-N 3.13Å |
| 379 | G | 49.9 | Very low | 45.6 | Very low | 22 Ų | 22 | 66 Ų | 66 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.9 | -42 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | H376 L377 D381 K382 L383 | H376-G379 PolarHBondContact O-N 3.26Å; L377-G379 VanDerWaalsContact C-N 3.27Å; L377-G379 PolarHBondContact O-N 3.01Å; G379-D381 VanDerWaalsContact C-N 3.28Å; G379-D381 PolarHBondContact O-N 3.26Å; G379-K382 PolarHBondContact O-N 3.25Å; G379-L383 PolarHBondContact O-N 3Å |
| 380 | I | 51.4 | Low | 45.5 | Very low | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 174.7 | -52.7 | 168.1 | 0 | 0 | 0 | 110.3 | V373 L377 K382 L383 F384 I454 | V373-I380 HydrophobicContact CG1-CG1 4.14Å; L377-I380 HydrophobicContact CG-CD1 4.25Å; L377-I380 WeakPolarHBondContact O-CB 3.47Å; L377-I380 PolarHBondContact O-N 2.89Å; I380-K382 VanDerWaalsContact C-N 3.33Å; I380-K382 PolarHBondContact O-N 3.46Å; I380-L383 WeakPolarHBondContact O-CB 3.2Å; I380-L383 PolarHBondContact O-N 3.19Å; I380-L383 VanDerWaalsContact O-N 3.16Å; I380-F384 HydrophobicContact CG2-CD2 3.87Å; I380-F384 HydrophobicContact CG2-CE2 3.61Å; I380-F384 VanDerWaalsContact O-CD2 3.31Å; I380-F384 WeakPolarHBondContact O-CD2 3.38Å; I380-F384 PolarHBondContact O-N 3.36Å; I380-I454 HydrophobicContact CD1-CD1 3.43Å; I380-I454 VanDerWaalsContact CD1-CD1 3.43Å; I380-I454 HydrophobicContact CG1-CD1 4.24Å |
| 381 | D | 47.8 | Very low | 45.2 | Very low | 65 Ų | 65 | 68.9 Ų | 68.9 | 35% | 0.348 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 177.9 | -67.7 | -13.4 | 0 | 0 | 0 | 111.7 | L377 G379 L383 F384 T385 R451 | L377-D381 PolarHBondContact O-N 2.94Å; G379-D381 VanDerWaalsContact C-N 3.28Å; G379-D381 PolarHBondContact O-N 3.26Å; D381-L383 PolarHBondContact O-N 2.8Å; D381-F384 PolarHBondContact O-N 3.04Å; D381-T385 VanDerWaalsContact O-CB 3.26Å; D381-T385 WeakPolarHBondContact O-CB 3.22Å; D381-T385 PolarHBondContact O-N 2.77Å; D381-T385 PolarHBondContact O-OG1 3.31Å; D381-R451 IonicContact OD1-CZ 3.28Å; D381-R451 IonicContact OD1-NH2 3.62Å; D381-R451 PolarHBondContact OD1-NH2 3.46Å |
| 382 | K | 49.2 | Very low | 44.3 | Very low | 146 Ų | 146 | 69.3 Ų | 69.3 | 64% | 0.635 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.8 | -44.4 | 174.6 | -70.4 | -175.9 | 176.4 | -178.4 | 0 | 112 | S378 G379 I380 F384 T385 D386 | S378-K382 PolarHBondContact O-N 3.13Å; G379-K382 PolarHBondContact O-N 3.25Å; I380-K382 VanDerWaalsContact C-N 3.33Å; I380-K382 PolarHBondContact O-N 3.46Å; K382-F384 PolarHBondContact O-N 2.89Å; K382-F384 VanDerWaalsContact O-N 3.14Å; K382-T385 PolarHBondContact O-N 2.99Å; K382-D386 PolarHBondContact O-N 3.22Å; K382-D386 VanDerWaalsContact O-N 3.11Å |
| 383 | L | 48.2 | Very low | 43.5 | Very low | 43 Ų | 43 | 71 Ų | 71 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.8 | -28.8 | -178.9 | -150.8 | 144.4 | 0 | 0 | 0 | 112.8 | V373 G379 I380 D381 I483 | V373-L383 HydrophobicContact CG2-CD1 3.69Å; G379-L383 PolarHBondContact O-N 3Å; I380-L383 WeakPolarHBondContact O-CB 3.2Å; I380-L383 PolarHBondContact O-N 3.19Å; I380-L383 VanDerWaalsContact O-N 3.16Å; D381-L383 PolarHBondContact O-N 2.8Å; L383-I483 HydrophobicContact CD1-CD1 3.89Å |
| 384 | F | 48 | Very low | 42.5 | Very low | 25 Ų | 25 | 74.7 Ų | 74.7 | 11% | 0.11 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -97.1 | -25.5 | 171.9 | -67.2 | -70.7 | 0 | 0 | 0 | 114.6 | I380 D381 K382 E447 I450 | I380-F384 HydrophobicContact CG2-CD2 3.87Å; I380-F384 HydrophobicContact CG2-CE2 3.61Å; I380-F384 VanDerWaalsContact O-CD2 3.31Å; I380-F384 WeakPolarHBondContact O-CD2 3.38Å; I380-F384 PolarHBondContact O-N 3.36Å; D381-F384 PolarHBondContact O-N 3.04Å; K382-F384 PolarHBondContact O-N 2.89Å; K382-F384 VanDerWaalsContact O-N 3.14Å; F384-E447 HydrophobicContact CD1-CB 4.44Å; F384-E447 HydrophobicContact CD2-CB 4.05Å; F384-E447 HydrophobicContact CD2-CG 3.76Å; F384-E447 HydrophobicContact CE1-CB 4.14Å; F384-E447 HydrophobicContact CE2-CB 3.72Å; F384-E447 HydrophobicContact CE2-CG 3.78Å; F384-E447 HydrophobicContact CG-CB 4.41Å; F384-E447 HydrophobicContact CG-CG 4.32Å; F384-E447 HydrophobicContact CZ-CB 3.78Å; F384-E447 HydrophobicContact CZ-CG 4.36Å; F384-I450 HydrophobicContact CZ-CD1 4.27Å |
| 385 | T | 45 | Very low | 41.7 | Very low | 80 Ų | 80 | 73.9 Ų | 73.9 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -75.8 | -41.3 | -175.3 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | D381 K382 H387 I388 A389 | D381-T385 VanDerWaalsContact O-CB 3.26Å; D381-T385 WeakPolarHBondContact O-CB 3.22Å; D381-T385 PolarHBondContact O-N 2.77Å; D381-T385 PolarHBondContact O-OG1 3.31Å; K382-T385 PolarHBondContact O-N 2.99Å; T385-H387 PolarHBondContact O-N 3.25Å; T385-I388 PolarHBondContact O-N 2.95Å; T385-A389 PolarHBondContact O-N 3.18Å |
| 386 | D | 42.2 | Very low | 40.8 | Very low | 83 Ų | 83 | 80.7 Ų | 80.7 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.4 | -30.8 | 179.7 | -69.5 | -20.1 | 0 | 0 | 0 | 111.5 | K382 I388 A389 H390 | K382-D386 PolarHBondContact O-N 3.22Å; K382-D386 VanDerWaalsContact O-N 3.11Å; D386-I388 VanDerWaalsContact C-N 3.29Å; D386-I388 PolarHBondContact O-N 3.13Å; D386-A389 PolarHBondContact O-N 3.18Å; D386-H390 PolarHBondContact O-N 3.37Å |
| 387 | H | 41.5 | Very low | 39.9 | Very low | 54 Ų | 54 | 80.7 Ų | 80.7 | 25% | 0.25 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.9 | -26.6 | 173.7 | -124.3 | -45.1 | 0 | 0 | 0 | 113.5 | F362 T385 T391 | F362-H387 AromaticContact CD1-CD2 3.84Å; F362-H387 AromaticContact CD1-NE2 3.34Å; F362-H387 VanDerWaalsContact CD1-NE2 3.34Å; F362-H387 WeakPolarHBondContact CD1-NE2 3.49Å; F362-H387 AromaticContact CE1-CD2 3.68Å; F362-H387 AromaticContact CE1-NE2 3.43Å; F362-H387 WeakPolarHBondContact CE1-NE2 3.43Å; T385-H387 PolarHBondContact O-N 3.25Å; H387-T391 PolarHBondContact ND1-OG1 3.45Å; H387-T391 WeakPolarHBondContact O-CB 3.09Å; H387-T391 PolarHBondContact O-N 2.95Å; H387-T391 PolarHBondContact O-OG1 3.24Å |
| 388 | I | 36.3 | Very low | 39 | Very low | 124 Ų | 124 | 83 Ų | 83 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -80.6 | -37.1 | 175.3 | -64.4 | 169.1 | 0 | 0 | 0 | 110.1 | T385 D386 G392 | T385-I388 PolarHBondContact O-N 2.95Å; D386-I388 VanDerWaalsContact C-N 3.29Å; D386-I388 PolarHBondContact O-N 3.13Å; I388-G392 WeakPolarHBondContact O-CA 3.47Å; I388-G392 PolarHBondContact O-N 3.04Å |
| 389 | A | 33.8 | Very low | 38.4 | Very low | 55 Ų | 55 | 84.1 Ų | 84.1 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -49 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T385 D386 | T385-A389 PolarHBondContact O-N 3.18Å; D386-A389 PolarHBondContact O-N 3.18Å |
| 390 | H | 35.4 | Very low | 37.3 | Very low | 149 Ų | 149 | 92.2 Ų | 92.2 | 69% | 0.69 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -78.5 | -24.4 | -175.2 | -82.5 | -78.3 | 0 | 0 | 0 | 114.9 | D386 T394 | D386-H390 PolarHBondContact O-N 3.37Å; H390-T394 PolarHBondContact O-OG1 3.45Å |
| 391 | T | 35.5 | Very low | 36.1 | Very low | 75 Ų | 75 | 95.6 Ų | 95.6 | 46% | 0.46 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -103.3 | -17 | -179.7 | -13.4 | 0 | 0 | 0 | 0 | 113.6 | H387 | H387-T391 PolarHBondContact ND1-OG1 3.45Å; H387-T391 WeakPolarHBondContact O-CB 3.09Å; H387-T391 PolarHBondContact O-N 2.95Å; H387-T391 PolarHBondContact O-OG1 3.24Å |
| 392 | G | 31.8 | Very low | 35.2 | Very low | 52 Ų | 52 | 98 Ų | 98 | 54% | 0.536 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -100.7 | -18.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | I388 | I388-G392 WeakPolarHBondContact O-CA 3.47Å; I388-G392 PolarHBondContact O-N 3.04Å |
| 393 | S | 29.9 | Very low | 34.1 | Very low | 83 Ų | 83 | 97.6 Ų | 97.6 | 58% | 0.58 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -120.1 | -21.3 | -167.1 | -153.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 394 | T | 29.9 | Very low | 33.2 | Very low | 88 Ų | 88 | 103 Ų | 103 | 54% | 0.54 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -101.1 | -27.6 | -174.7 | 49.5 | 0 | 0 | 0 | 0 | 114 | H390 F396 | H390-T394 PolarHBondContact O-OG1 3.45Å; T394-F396 VanDerWaalsContact C-N 3.31Å; T394-F396 PolarHBondContact O-N 2.89Å |
| 395 | A | 30.4 | Very low | 32.4 | Very low | 72 Ų | 72 | 109.5 Ų | 109.5 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -17.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 396 | F | 28.7 | Very low | 31.4 | Very low | 175 Ų | 175 | 112 Ų | 112 | 77% | 0.768 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -4.5 | -172.4 | -121.5 | -87.3 | 0 | 0 | 0 | 114.8 | T394 | T394-F396 VanDerWaalsContact C-N 3.31Å; T394-F396 PolarHBondContact O-N 2.89Å |
| 397 | I | 31.2 | Very low | 30.8 | Very low | 132 Ų | 132 | 113.4 Ų | 113.4 | 68% | 0.677 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -27.1 | -173.9 | -63.6 | -179.3 | 0 | 0 | 0 | 113.1 | ||
| 398 | N | 28.8 | Very low | 30 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 27.5 | -170.1 | -72.8 | -1.6 | 0 | 0 | 0 | 115.8 | ||
| 399 | S | 31.1 | Very low | 29.7 | Very low | 100 Ų | 100 | 114 Ų | 114 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 1.9 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 400 | Q | 26.9 | Very low | 29.4 | Very low | 191 Ų | 191 | 118.7 Ų | 118.7 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -141.2 | 47.9 | 176.2 | -70.9 | -165.5 | -35.4 | 0 | 0 | 114.2 | ||
| 401 | A | 27.4 | Very low | 29.2 | Very low | 83 Ų | 83 | 119.9 Ų | 119.9 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | trans | -173 | 140 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 402 | S | 27.9 | Very low | 28.8 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | cis | -141.9 | 147 | 17.8 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 403 | V | 26.1 | Very low | 28.8 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | -86.7 | 120.5 | 162 | 174.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 404 | E | 29.6 | Very low | 28.7 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | trans | 157.5 | 133.2 | 140.3 | -85.4 | -170.8 | 128.4 | 0 | 0 | 115.6 | ||||
| 405 | Q | 30.1 | Very low | 28.5 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 64.8 | 97 | 141.9 | -58.6 | 176.8 | 31.2 | 0 | 0 | 121.7 | ||||
| 406 | T | 24.2 | Very low | 28.4 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -53.8 | 157.4 | 142.2 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 407 | P | 29.9 | Very low | 28.2 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | -160.4 | 168.4 | 54.2 | 43.5 | -21.4 | 0 | 0 | 0 | 122.1 | |||||
| 408 | S | 25 | Very low | 28.1 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 77.7 | 139 | 143.1 | 73.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 409 | G | 29.4 | Very low | 27.9 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 139.2 | 75.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 410 | N | 28.7 | Very low | 27.7 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | 53.4 | 123.9 | 102.4 | -80.1 | -20.9 | 0 | 0 | 0 | 114.9 | |||||
| 411 | K | 30.7 | Very low | 27.7 | Very low | 173 Ų | 173 | 126.7 Ų | 126.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -163.8 | 164.5 | 16.7 | -94.8 | 160.3 | 177.3 | 179.7 | 0 | 110.2 | ||||
| 412 | S | 28.1 | Very low | 27.7 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 47.1 | 138.1 | 148.1 | 60.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 413 | T | 30.3 | Very low | 27.6 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | cis | -170.6 | 162.9 | 4.2 | 11.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 414 | T | 29.5 | Very low | 27.7 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | cis | -137.2 | -172.5 | 11.1 | -34.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 415 | A | 24.6 | Very low | 27.7 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | -119.9 | 141.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 416 | T | 29.1 | Very low | 27.7 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -139.6 | 138.8 | 150.4 | -36.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 417 | T | 24.7 | Very low | 28 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 129 | -157.4 | -36.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 418 | A | 27.7 | Very low | 28 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -155.8 | 134.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 419 | A | 25 | Very low | 28.2 | Very low | 97 Ų | 97 | 138 Ų | 138 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -82.2 | 141.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 420 | Q | 27.8 | Very low | 28.5 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -128.7 | 105.8 | 161.2 | -78.1 | -165.4 | -3.7 | 0 | 0 | 111.4 | K422 | Q420-K422 PolarHBondContact O-N 2.96Š| ||
| 421 | T | 25.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -76 | 88.9 | 175.9 | -38.1 | 0 | 0 | 0 | 0 | 110.6 | T423 | T421-T423 PolarHBondContact O-N 3.36Š| ||
| 422 | K | 28.2 | Very low | 29.2 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -78.4 | 93.1 | 173.6 | -88.5 | -178.3 | 175 | 173.2 | 0 | 111.6 | Q420 K424 | Q420-K422 PolarHBondContact O-N 2.96Å; K422-K424 PolarHBondContact O-N 3.44Å | ||
| 423 | T | 26.8 | Very low | 29.2 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -67.7 | 109.5 | 162.4 | 43.1 | 0 | 0 | 0 | 0 | 110.2 | T421 T425 | T421-T423 PolarHBondContact O-N 3.36Å; T423-T425 PolarHBondContact O-N 3.31Å | ||
| 424 | K | 26.6 | Very low | 29.2 | Very low | 206 Ų | 206 | 126.5 Ų | 126.5 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | trans | -71 | 108.5 | 169.2 | -79.9 | -179.6 | 172.8 | 178.5 | 0 | 110 | K422 | K422-K424 PolarHBondContact O-N 3.44Š| ||
| 425 | T | 29.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 123 Ų | 123 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | trans | -80.7 | 123.7 | 161.5 | 21.4 | 0 | 0 | 0 | 0 | 109.8 | T423 T427 | T423-T425 PolarHBondContact O-N 3.31Å; T425-T427 PolarHBondContact O-N 2.96Å | ||
| 426 | T | 30 | Very low | 29.6 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 85% | 0.847 | 70% | 0.695 | S | S | * | * | trans | -71.6 | 113.3 | 174.6 | 47.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 427 | T | 30.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 116.7 Ų | 116.7 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | trans | -73.6 | 132.9 | 174 | 36.8 | 0 | 0 | 0 | 0 | 111 | T425 | T425-T427 PolarHBondContact O-N 2.96Š| ||
| 428 | F | 30.2 | Very low | 30.1 | Very low | 169 Ų | 169 | 112 Ų | 112 | 74% | 0.741 | 63% | 0.634 | S | S | * | * | trans | -78.5 | 148.7 | 179.8 | -140.8 | -102.8 | 0 | 0 | 0 | 109.9 | G430 D431 | F428-G430 PolarHBondContact O-N 2.95Å; F428-D431 PolarHBondContact O-N 3.2Å | ||
| 429 | F | 29.5 | Very low | 30.5 | Very low | 189 Ų | 189 | 111.1 Ų | 111.1 | 83% | 0.829 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.4 | -28.5 | -170.3 | -164.6 | -99.1 | 0 | 0 | 0 | 114.1 | ||
| 430 | G | 36.1 | Very low | 30.7 | Very low | 35 Ų | 35 | 109.1 Ų | 109.1 | 36% | 0.361 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.6 | -29.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | F428 S432 I434 | F428-G430 PolarHBondContact O-N 2.95Å; G430-S432 PolarHBondContact O-N 3.28Å; G430-I434 WeakPolarHBondContact O-CB 3.44Å; G430-I434 VanDerWaalsContact O-CG1 3.28Å; G430-I434 WeakPolarHBondContact O-CG1 3.42Å; G430-I434 PolarHBondContact O-N 3.32Å; G430-I434 VanDerWaalsContact O-N 3.12Å |
| 431 | D | 35.5 | Very low | 31.2 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.1 | -37.5 | -174.7 | -69.2 | -43 | 0 | 0 | 0 | 111.8 | F428 S435 | F428-D431 PolarHBondContact O-N 3.2Å; D431-S435 WeakPolarHBondContact O-CA 3.28Å; D431-S435 WeakPolarHBondContact O-CB 3.33Å; D431-S435 PolarHBondContact O-N 3.16Å |
| 432 | S | 37.5 | Very low | 32.2 | Very low | 79 Ų | 79 | 103.7 Ų | 103.7 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.2 | -49 | 178.4 | 173.4 | 0 | 0 | 0 | 0 | 112.5 | G430 S435 S436 | G430-S432 PolarHBondContact O-N 3.28Å; S432-S435 PolarHBondContact O-N 3.39Å; S432-S436 WeakPolarHBondContact O-CB 3.34Å; S432-S436 PolarHBondContact O-N 2.8Å; S432-S436 PolarHBondContact O-OG 2.95Å |
| 433 | L | 29 | Very low | 33.1 | Very low | 106 Ų | 106 | 96.5 Ų | 96.5 | 56% | 0.555 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.1 | -36.3 | -175.1 | -150.4 | 154.7 | 0 | 0 | 0 | 111.2 | S436 V437 | L433-S436 WeakPolarHBondContact CA-OG 3.42Å; L433-S436 PolarHBondContact O-OG 3.4Å; L433-S436 VanDerWaalsContact O-OG 3.13Å; L433-V437 HydrophobicContact CD2-CG2 4.26Å; L433-V437 WeakPolarHBondContact O-CB 3.45Å; L433-V437 VanDerWaalsContact O-CG2 3.26Å; L433-V437 WeakPolarHBondContact O-CG2 2.97Å; L433-V437 PolarHBondContact O-N 3.47Å |
| 434 | I | 30.3 | Very low | 34.1 | Very low | 70 Ų | 70 | 96.8 Ų | 96.8 | 36% | 0.359 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.9 | -40.6 | 173.4 | -66 | 171.5 | 0 | 0 | 0 | 110.9 | G430 I438 | G430-I434 WeakPolarHBondContact O-CB 3.44Å; G430-I434 VanDerWaalsContact O-CG1 3.28Å; G430-I434 WeakPolarHBondContact O-CG1 3.42Å; G430-I434 PolarHBondContact O-N 3.32Å; G430-I434 VanDerWaalsContact O-N 3.12Å; I434-I438 HydrophobicContact CG2-CD1 3.55Å; I434-I438 HydrophobicContact CG2-CG1 4.42Å; I434-I438 VanDerWaalsContact O-CB 3.31Å; I434-I438 WeakPolarHBondContact O-CB 3.15Å; I434-I438 VanDerWaalsContact O-CG1 3.22Å; I434-I438 WeakPolarHBondContact O-CG1 3.29Å; I434-I438 PolarHBondContact O-N 2.84Å |
| 435 | S | 32.7 | Very low | 35.1 | Very low | 66 Ų | 66 | 92.8 Ų | 92.8 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 177.7 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | D431 S432 V437 I438 Q439 | D431-S435 WeakPolarHBondContact O-CA 3.28Å; D431-S435 WeakPolarHBondContact O-CB 3.33Å; D431-S435 PolarHBondContact O-N 3.16Å; S432-S435 PolarHBondContact O-N 3.39Å; S435-V437 PolarHBondContact O-N 3.32Å; S435-I438 PolarHBondContact O-N 3.34Å; S435-Q439 WeakPolarHBondContact O-CB 3.47Å; S435-Q439 PolarHBondContact O-N 3.03Å |
| 436 | S | 30.5 | Very low | 36.1 | Very low | 57 Ų | 57 | 88.9 Ų | 88.9 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 179.4 | 51 | 0 | 0 | 0 | 0 | 113.1 | S432 L433 A440 | S432-S436 WeakPolarHBondContact O-CB 3.34Å; S432-S436 PolarHBondContact O-N 2.8Å; S432-S436 PolarHBondContact O-OG 2.95Å; L433-S436 WeakPolarHBondContact CA-OG 3.42Å; L433-S436 PolarHBondContact O-OG 3.4Å; L433-S436 VanDerWaalsContact O-OG 3.13Å; S436-A440 VanDerWaalsContact O-CB 3.28Å; S436-A440 WeakPolarHBondContact O-CB 3.35Å; S436-A440 PolarHBondContact O-N 2.98Å |
| 437 | V | 29.9 | Very low | 37.2 | Very low | 46 Ų | 46 | 84 Ų | 84 | 28% | 0.279 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | L433 S435 A440 H441 | L433-V437 HydrophobicContact CD2-CG2 4.26Å; L433-V437 WeakPolarHBondContact O-CB 3.45Å; L433-V437 VanDerWaalsContact O-CG2 3.26Å; L433-V437 WeakPolarHBondContact O-CG2 2.97Å; L433-V437 PolarHBondContact O-N 3.47Å; S435-V437 PolarHBondContact O-N 3.32Å; V437-A440 PolarHBondContact O-N 3.41Å; V437-H441 PolarHBondContact O-N 2.88Å; V437-H441 VanDerWaalsContact O-N 3.09Å |
| 438 | I | 33.7 | Very low | 38.3 | Very low | 41 Ų | 41 | 82 Ų | 82 | 21% | 0.21 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73.3 | -43.8 | 179 | -71.3 | 173.6 | 0 | 0 | 0 | 110.7 | I434 S435 A440 H441 D442 R781 | I434-I438 HydrophobicContact CG2-CD1 3.55Å; I434-I438 HydrophobicContact CG2-CG1 4.42Å; I434-I438 VanDerWaalsContact O-CB 3.31Å; I434-I438 WeakPolarHBondContact O-CB 3.15Å; I434-I438 VanDerWaalsContact O-CG1 3.22Å; I434-I438 WeakPolarHBondContact O-CG1 3.29Å; I434-I438 PolarHBondContact O-N 2.84Å; S435-I438 PolarHBondContact O-N 3.34Å; I438-A440 VanDerWaalsContact C-N 3.25Å; I438-A440 PolarHBondContact O-N 3.24Å; I438-H441 PolarHBondContact O-N 3.45Å; I438-D442 WeakPolarHBondContact CG2-OD2 3.47Å; I438-D442 WeakPolarHBondContact O-CB 3.26Å; I438-D442 PolarHBondContact O-N 3.04Å; I438-R781 HydrophobicContact CD1-CG 4.25Å |
| 439 | Q | 35.4 | Very low | 39.4 | Very low | 79 Ų | 79 | 74.5 Ų | 74.5 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.5 | -41.4 | 172.7 | -169.7 | 173.6 | 8.5 | 0 | 0 | 110.9 | S435 H441 T443 | S435-Q439 WeakPolarHBondContact O-CB 3.47Å; S435-Q439 PolarHBondContact O-N 3.03Å; Q439-H441 PolarHBondContact O-N 3.44Å; Q439-T443 WeakPolarHBondContact O-CB 3.48Å; Q439-T443 WeakPolarHBondContact O-CG2 3.33Å; Q439-T443 PolarHBondContact O-N 3.42Å; Q439-T443 PolarHBondContact O-OG1 2.63Å |
| 440 | A | 30 | Very low | 40.7 | Very low | 55 Ų | 55 | 66.7 Ų | 66.7 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.1 | -23 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | S436 V437 I438 T443 K444 | S436-A440 VanDerWaalsContact O-CB 3.28Å; S436-A440 WeakPolarHBondContact O-CB 3.35Å; S436-A440 PolarHBondContact O-N 2.98Å; V437-A440 PolarHBondContact O-N 3.41Å; I438-A440 VanDerWaalsContact C-N 3.25Å; I438-A440 PolarHBondContact O-N 3.24Å; A440-T443 PolarHBondContact O-OG1 3.22Å; A440-K444 WeakPolarHBondContact O-CB 3.42Å |
| 441 | H | 37.2 | Very low | 41.9 | Very low | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -83.4 | -47.1 | 173.7 | -179.6 | -85.6 | 0 | 0 | 0 | 111 | V437 I438 Q439 K444 Y445 | V437-H441 PolarHBondContact O-N 2.88Å; V437-H441 VanDerWaalsContact O-N 3.09Å; I438-H441 PolarHBondContact O-N 3.45Å; Q439-H441 PolarHBondContact O-N 3.44Å; H441-K444 PolarHBondContact O-N 2.9Å; H441-Y445 PolarHBondContact O-N 3.32Å |
| 442 | D | 46.7 | Very low | 43 | Very low | 87 Ų | 87 | 65.1 Ų | 65.1 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | -178.8 | -68.1 | -10.4 | 0 | 0 | 0 | 111 | I438 T446 | I438-D442 WeakPolarHBondContact CG2-OD2 3.47Å; I438-D442 WeakPolarHBondContact O-CB 3.26Å; I438-D442 PolarHBondContact O-N 3.04Å; D442-T446 WeakPolarHBondContact O-CB 3.33Å; D442-T446 PolarHBondContact O-N 3.14Å; D442-T446 PolarHBondContact O-OG1 3.24Å |
| 443 | T | 46.9 | Very low | 43.9 | Very low | 33 Ų | 33 | 61.6 Ų | 61.6 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 171.1 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | Q439 A440 T446 E447 | Q439-T443 WeakPolarHBondContact O-CB 3.48Å; Q439-T443 WeakPolarHBondContact O-CG2 3.33Å; Q439-T443 PolarHBondContact O-N 3.42Å; Q439-T443 PolarHBondContact O-OG1 2.63Å; A440-T443 PolarHBondContact O-OG1 3.22Å; T443-T446 PolarHBondContact O-N 2.79Å; T443-E447 WeakPolarHBondContact O-CB 3.46Å; T443-E447 PolarHBondContact O-N 2.99Å |
| 444 | K | 48.6 | Very low | 45.6 | Very low | 132 Ų | 132 | 57 Ų | 57 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -68.7 | -35.9 | -178 | -170.6 | 174.7 | -177.1 | -179.8 | 0 | 113.2 | A440 H441 N448 | A440-K444 WeakPolarHBondContact O-CB 3.42Å; H441-K444 PolarHBondContact O-N 2.9Å; K444-N448 PolarHBondContact O-N 2.9Å; K444-N448 PolarHBondContact O-ND2 3.02Å |
| 445 | Y | 47.8 | Very low | 47.3 | Very low | 122 Ų | 122 | 60.8 Ų | 60.8 | 48% | 0.478 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 172.6 | 177.1 | -96.7 | 0 | 0 | 0 | 110.6 | H441 N448 L449 | H441-Y445 PolarHBondContact O-N 3.32Å; Y445-N448 PolarHBondContact O-N 3.34Å; Y445-L449 HydrophobicContact CE1-CD2 4.28Å; Y445-L449 WeakPolarHBondContact O-CB 3.38Å; Y445-L449 PolarHBondContact O-N 3.39Å |
| 446 | T | 49.5 | Very low | 48.8 | Very low | 47 Ų | 47 | 61.5 Ų | 61.5 | 29% | 0.288 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 112 | I283 D442 T443 N448 L449 I450 | I283-T446 HydrophobicContact CD1-CG2 4.26Å; D442-T446 WeakPolarHBondContact O-CB 3.33Å; D442-T446 PolarHBondContact O-N 3.14Å; D442-T446 PolarHBondContact O-OG1 3.24Å; T443-T446 PolarHBondContact O-N 2.79Å; T446-N448 PolarHBondContact O-N 3Å; T446-L449 PolarHBondContact O-N 3.02Å; T446-I450 HydrophobicContact CG2-CD1 3.74Å; T446-I450 HydrophobicContact CG2-CG1 4.3Å; T446-I450 WeakPolarHBondContact O-CB 3.17Å; T446-I450 VanDerWaalsContact O-CG1 3.27Å; T446-I450 WeakPolarHBondContact O-CG1 3.44Å; T446-I450 PolarHBondContact O-N 3.38Å |
| 447 | E | 53.3 | Low | 50.4 | Low | 35 Ų | 35 | 58.8 Ų | 58.8 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.9 | -46.9 | 173 | 176.4 | -166 | 175.2 | 0 | 0 | 111.3 | F384 T443 R451 | F384-E447 HydrophobicContact CD1-CB 4.44Å; F384-E447 HydrophobicContact CD2-CB 4.05Å; F384-E447 HydrophobicContact CD2-CG 3.76Å; F384-E447 HydrophobicContact CE1-CB 4.14Å; F384-E447 HydrophobicContact CE2-CB 3.72Å; F384-E447 HydrophobicContact CE2-CG 3.78Å; F384-E447 HydrophobicContact CG-CB 4.41Å; F384-E447 HydrophobicContact CG-CG 4.32Å; F384-E447 HydrophobicContact CZ-CB 3.78Å; F384-E447 HydrophobicContact CZ-CG 4.36Å; T443-E447 WeakPolarHBondContact O-CB 3.46Å; T443-E447 PolarHBondContact O-N 2.99Å; E447-R451 WeakPolarHBondContact O-CB 3.49Å; E447-R451 VanDerWaalsContact O-CG 3.32Å; E447-R451 WeakPolarHBondContact O-CG 3.48Å; E447-R451 PolarHBondContact O-N 3.35Å; E447-R451 IonicContact OE1-CZ 3.6Å; E447-R451 IonicContact OE1-NH1 2.76Å; E447-R451 PolarHBondContact OE1-NH1 3.48Å; E447-R451 IonicContact OE1-NH2 2.75Å; E447-R451 PolarHBondContact OE1-NH2 3.41Å |
| 448 | N | 53.6 | Low | 52.4 | Low | 81 Ų | 81 | 58.8 Ų | 58.8 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 178.4 | -74.2 | -53.6 | 0 | 0 | 0 | 112.4 | K444 Y445 T446 A452 | K444-N448 PolarHBondContact O-N 2.9Å; K444-N448 PolarHBondContact O-ND2 3.02Å; Y445-N448 PolarHBondContact O-N 3.34Å; T446-N448 PolarHBondContact O-N 3Å; N448-A452 WeakPolarHBondContact O-CB 3.48Å; N448-A452 PolarHBondContact O-N 3.29Å |
| 449 | L | 53.3 | Low | 54.2 | Low | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 175.5 | -176.7 | 62.3 | 0 | 0 | 0 | 111.2 | I219 G280 I283 Y445 T446 R451 A452 V453 | I219-L449 HydrophobicContact CD1-CD1 3.74Å; I219-L449 HydrophobicContact CG1-CD1 3.79Å; I219-L449 HydrophobicContact CG2-CD1 3.95Å; G280-L449 VanDerWaalsContact O-CD2 3.25Å; G280-L449 WeakPolarHBondContact O-CD2 3.37Å; I283-L449 HydrophobicContact CB-CD2 4.4Å; I283-L449 HydrophobicContact CD1-CB 4.42Å; I283-L449 HydrophobicContact CD1-CD2 3.62Å; I283-L449 HydrophobicContact CD1-CG 3.93Å; I283-L449 HydrophobicContact CG1-CD2 3.87Å; I283-L449 HydrophobicContact CG1-CG 4.4Å; Y445-L449 HydrophobicContact CE1-CD2 4.28Å; Y445-L449 WeakPolarHBondContact O-CB 3.38Å; Y445-L449 PolarHBondContact O-N 3.39Å; T446-L449 PolarHBondContact O-N 3.02Å; L449-R451 PolarHBondContact O-N 3.2Å; L449-A452 WeakPolarHBondContact O-CB 3.45Å; L449-A452 PolarHBondContact O-N 3.34Å; L449-A452 VanDerWaalsContact O-N 3.09Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 2.9Å |
| 450 | I | 56.8 | Low | 55.7 | Low | 24 Ų | 24 | 59 Ų | 59 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 174.9 | -72.5 | 172.3 | 0 | 0 | 0 | 110.5 | I283 L354 F384 T446 A452 V453 I454 | I283-I450 HydrophobicContact CD1-CD1 4.32Å; I283-I450 HydrophobicContact CD1-CG1 3.61Å; L354-I450 HydrophobicContact CD1-CG2 4.42Å; F384-I450 HydrophobicContact CZ-CD1 4.27Å; T446-I450 HydrophobicContact CG2-CD1 3.74Å; T446-I450 HydrophobicContact CG2-CG1 4.3Å; T446-I450 WeakPolarHBondContact O-CB 3.17Å; T446-I450 VanDerWaalsContact O-CG1 3.27Å; T446-I450 WeakPolarHBondContact O-CG1 3.44Å; T446-I450 PolarHBondContact O-N 3.38Å; I450-A452 VanDerWaalsContact C-N 3.26Å; I450-A452 PolarHBondContact O-N 3.26Å; I450-V453 PolarHBondContact O-N 3.21Å; I450-I454 HydrophobicContact CG2-CD1 3.48Å; I450-I454 VanDerWaalsContact CG2-CD1 3.48Å; I450-I454 HydrophobicContact CG2-CG1 4.24Å; I450-I454 WeakPolarHBondContact O-CB 3.4Å; I450-I454 VanDerWaalsContact O-CG1 3.31Å; I450-I454 WeakPolarHBondContact O-CG1 3.19Å; I450-I454 PolarHBondContact O-N 3.24Å |
| 451 | R | 61.4 | Low | 57.7 | Low | 65 Ų | 65 | 56.7 Ų | 56.7 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -36.6 | 175.3 | -79 | -179.7 | 177.7 | 142.2 | 3.1 | 112.6 | L377 D381 E447 L449 K455 | L377-R451 HydrophobicContact CD2-CG 4.45Å; D381-R451 IonicContact OD1-CZ 3.28Å; D381-R451 IonicContact OD1-NH2 3.62Å; D381-R451 PolarHBondContact OD1-NH2 3.46Å; E447-R451 WeakPolarHBondContact O-CB 3.49Å; E447-R451 VanDerWaalsContact O-CG 3.32Å; E447-R451 WeakPolarHBondContact O-CG 3.48Å; E447-R451 PolarHBondContact O-N 3.35Å; E447-R451 IonicContact OE1-CZ 3.6Å; E447-R451 IonicContact OE1-NH1 2.76Å; E447-R451 PolarHBondContact OE1-NH1 3.48Å; E447-R451 IonicContact OE1-NH2 2.75Å; E447-R451 PolarHBondContact OE1-NH2 3.41Å; L449-R451 PolarHBondContact O-N 3.2Å; R451-K455 WeakPolarHBondContact O-CB 3.25Å; R451-K455 PolarHBondContact O-N 3.47Å |
| 452 | A | 58 | Low | 59.7 | Low | 30 Ų | 30 | 57.1 Ų | 57.1 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.9 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I219 N448 L449 I450 R456 | I219-A452 HydrophobicContact CD1-CB 3.75Å; N448-A452 WeakPolarHBondContact O-CB 3.48Å; N448-A452 PolarHBondContact O-N 3.29Å; L449-A452 WeakPolarHBondContact O-CB 3.45Å; L449-A452 PolarHBondContact O-N 3.34Å; L449-A452 VanDerWaalsContact O-N 3.09Å; I450-A452 VanDerWaalsContact C-N 3.26Å; I450-A452 PolarHBondContact O-N 3.26Å; A452-R456 WeakPolarHBondContact O-CG 3.43Å; A452-R456 PolarHBondContact O-N 2.91Å; A452-R456 VanDerWaalsContact O-N 3.15Å |
| 453 | V | 58.3 | Low | 61 | Low | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 176.2 | 174 | 0 | 0 | 0 | 0 | 110.7 | I219 I283 L354 L449 I450 K455 R456 A457 | I219-V453 HydrophobicContact CG2-CG2 4.14Å; I283-V453 HydrophobicContact CG2-CB 4.5Å; I283-V453 HydrophobicContact CG2-CG1 4.44Å; I283-V453 HydrophobicContact CG2-CG2 4.18Å; L354-V453 HydrophobicContact CD2-CG1 3.89Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 2.9Å; I450-V453 PolarHBondContact O-N 3.21Å; V453-K455 VanDerWaalsContact C-N 3.33Å; V453-K455 PolarHBondContact O-N 3.45Å; V453-R456 PolarHBondContact O-N 3.3Å; V453-R456 VanDerWaalsContact O-N 3.13Å; V453-A457 PolarHBondContact O-N 3.31Å |
| 454 | I | 63.8 | Low | 62.1 | Low | 9 Ų | 9 | 55.8 Ų | 55.8 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 177.4 | -68.3 | 169.8 | 0 | 0 | 0 | 110.8 | L354 I380 I450 R456 A457 L458 T481 | L354-I454 HydrophobicContact CD1-CD1 3.57Å; L354-I454 HydrophobicContact CD1-CG1 3.61Å; L354-I454 HydrophobicContact CD2-CG1 3.85Å; L354-I454 HydrophobicContact CG-CG1 4.3Å; I380-I454 HydrophobicContact CD1-CD1 3.43Å; I380-I454 VanDerWaalsContact CD1-CD1 3.43Å; I380-I454 HydrophobicContact CG1-CD1 4.24Å; I450-I454 HydrophobicContact CG2-CD1 3.48Å; I450-I454 VanDerWaalsContact CG2-CD1 3.48Å; I450-I454 HydrophobicContact CG2-CG1 4.24Å; I450-I454 WeakPolarHBondContact O-CB 3.4Å; I450-I454 VanDerWaalsContact O-CG1 3.31Å; I450-I454 WeakPolarHBondContact O-CG1 3.19Å; I450-I454 PolarHBondContact O-N 3.24Å; I454-R456 VanDerWaalsContact C-N 3.27Å; I454-R456 PolarHBondContact O-N 3.48Å; I454-A457 PolarHBondContact O-N 2.99Å; I454-L458 HydrophobicContact CG2-CD1 3.82Å; I454-L458 HydrophobicContact CG2-CG 4.15Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 VanDerWaalsContact O-CG 3.32Å; I454-L458 WeakPolarHBondContact O-CG 3.4Å; I454-L458 PolarHBondContact O-N 3.44Å; I454-T481 HydrophobicContact CD1-CG2 4.46Å |
| 455 | K | 66.9 | Low | 63.4 | Low | 149 Ų | 149 | 50.5 Ų | 50.5 | 65% | 0.648 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.1 | -36.1 | 179.7 | -173.3 | 179.6 | 178.8 | -170.6 | 0 | 112.2 | R451 V453 V459 | R451-K455 WeakPolarHBondContact O-CB 3.25Å; R451-K455 PolarHBondContact O-N 3.47Å; V453-K455 VanDerWaalsContact C-N 3.33Å; V453-K455 PolarHBondContact O-N 3.45Å; K455-V459 WeakPolarHBondContact O-CG2 3.3Å; K455-V459 PolarHBondContact O-N 3.06Å |
| 456 | R | 63.3 | Low | 64.9 | Low | 81 Ų | 81 | 50.6 Ų | 50.6 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.9 | -43.5 | 174.2 | -72 | 172.6 | 171.5 | -165.7 | -5.9 | 111.9 | I219 S220 P222 A452 V453 I454 L458 V459 K460 | I219-R456 VanDerWaalsContact C-NH1 3.35Å; I219-R456 PolarHBondContact O-NH1 3.39Å; S220-R456 PolarHBondContact O-NH1 3.47Å; P222-R456 HydrophobicContact CG-CB 4.09Å; A452-R456 WeakPolarHBondContact O-CG 3.43Å; A452-R456 PolarHBondContact O-N 2.91Å; A452-R456 VanDerWaalsContact O-N 3.15Å; V453-R456 PolarHBondContact O-N 3.3Å; V453-R456 VanDerWaalsContact O-N 3.13Å; I454-R456 VanDerWaalsContact C-N 3.27Å; I454-R456 PolarHBondContact O-N 3.48Å; R456-L458 VanDerWaalsContact C-N 3.34Å; R456-L458 PolarHBondContact O-N 3.03Å; R456-V459 PolarHBondContact O-N 3.03Å; R456-K460 PolarHBondContact O-N 3.45Å |
| 457 | A | 63.5 | Low | 66 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P222 V287 I352 V453 I454 V459 K460 V461 | P222-A457 HydrophobicContact CB-CB 4.22Å; P222-A457 HydrophobicContact CG-CB 4.38Å; V287-A457 HydrophobicContact CG2-CB 4.06Å; I352-A457 HydrophobicContact CD1-CB 4.02Å; I352-A457 HydrophobicContact CG1-CB 4.35Å; I352-A457 HydrophobicContact CG2-CB 3.8Å; V453-A457 PolarHBondContact O-N 3.31Å; I454-A457 PolarHBondContact O-N 2.99Å; A457-V459 PolarHBondContact O-N 2.81Å; A457-K460 PolarHBondContact O-N 3.33Å; A457-V461 WeakPolarHBondContact O-CG2 3.37Å; A457-V461 PolarHBondContact O-N 3.49Å |
| 458 | L | 71.5 | Confident | 66.9 | Low | 46 Ų | 46 | 48.2 Ų | 48.2 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 175.3 | -72.4 | 172.1 | 0 | 0 | 0 | 112.8 | I352 I454 R456 K460 V461 E462 P479 | I352-L458 HydrophobicContact CD1-CD2 3.79Å; I352-L458 HydrophobicContact CD1-CG 4.18Å; I454-L458 HydrophobicContact CG2-CD1 3.82Å; I454-L458 HydrophobicContact CG2-CG 4.15Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 VanDerWaalsContact O-CG 3.32Å; I454-L458 WeakPolarHBondContact O-CG 3.4Å; I454-L458 PolarHBondContact O-N 3.44Å; R456-L458 VanDerWaalsContact C-N 3.34Å; R456-L458 PolarHBondContact O-N 3.03Å; L458-K460 VanDerWaalsContact C-N 3.35Å; L458-V461 PolarHBondContact O-N 3.14Å; L458-E462 PolarHBondContact O-N 2.99Å; L458-P479 HydrophobicContact CD2-CG 3.44Å; L458-P479 VanDerWaalsContact CD2-CG 3.44Å |
| 459 | V | 72.4 | Confident | 68.1 | Low | 73 Ų | 73 | 48.4 Ų | 48.4 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | K455 R456 A457 E462 E463 | K455-V459 WeakPolarHBondContact O-CG2 3.3Å; K455-V459 PolarHBondContact O-N 3.06Å; R456-V459 PolarHBondContact O-N 3.03Å; A457-V459 PolarHBondContact O-N 2.81Å; V459-E462 PolarHBondContact O-N 2.95Å; V459-E463 PolarHBondContact O-N 2.9Å |
| 460 | K | 66.5 | Low | 69.2 | Low | 53 Ų | 53 | 51.7 Ų | 51.7 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 178.6 | -158.4 | 72.8 | -164.2 | 161.7 | 0 | 112.7 | I224 R456 A457 L458 E463 I464 | I224-K460 HydrophobicContact CD1-CD 4.34Å; I224-K460 HydrophobicContact CD1-CG 3.85Å; I224-K460 HydrophobicContact CG1-CG 4.18Å; R456-K460 PolarHBondContact O-N 3.45Å; A457-K460 PolarHBondContact O-N 3.33Å; L458-K460 VanDerWaalsContact C-N 3.35Å; K460-E463 WeakPolarHBondContact CD-OE2 3.21Å; K460-E463 IonicContact NZ-OE2 3.79Å; K460-E463 PolarHBondContact NZ-OE2 3.07Å; K460-E463 PolarHBondContact O-N 3.02Å; K460-I464 HydrophobicContact CG-CD1 4.29Å; K460-I464 WeakPolarHBondContact O-CD1 3.38Å; K460-I464 WeakPolarHBondContact O-CG1 3.3Å; K460-I464 PolarHBondContact O-N 3.24Å; K460-I464 VanDerWaalsContact O-N 3.14Å |
| 461 | V | 72.4 | Confident | 69.9 | Low | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 170.1 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | V287 F289 P350 I352 A457 L458 E463 I464 S465 P479 | V287-V461 HydrophobicContact CG1-CG2 3.54Å; V287-V461 HydrophobicContact CG2-CG2 4.26Å; F289-V461 HydrophobicContact CZ-CG1 4.3Å; P350-V461 HydrophobicContact CB-CG1 3.7Å; P350-V461 HydrophobicContact CB-CG2 4.22Å; P350-V461 HydrophobicContact CG-CG1 3.85Å; I352-V461 HydrophobicContact CD1-CG2 4.26Å; I352-V461 HydrophobicContact CG1-CG2 4.2Å; A457-V461 WeakPolarHBondContact O-CG2 3.37Å; A457-V461 PolarHBondContact O-N 3.49Å; L458-V461 PolarHBondContact O-N 3.14Å; V461-E463 VanDerWaalsContact C-N 3.33Å; V461-E463 PolarHBondContact O-N 2.97Å; V461-I464 PolarHBondContact O-N 2.86Å; V461-S465 VanDerWaalsContact O-CB 3.3Å; V461-S465 WeakPolarHBondContact O-CB 3.31Å; V461-S465 PolarHBondContact O-N 3.04Å; V461-S465 PolarHBondContact O-OG 3.31Å; V461-P479 HydrophobicContact CG1-CB 4.23Å; V461-P479 HydrophobicContact CG1-CG 4.41Å |
| 462 | E | 78.7 | Confident | 70.2 | Confident | 110 Ų | 110 | 56.3 Ų | 56.3 | 51% | 0.514 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | -179.9 | -161.3 | -169.3 | 144.2 | 0 | 0 | 112.6 | L458 V459 K466 | L458-E462 PolarHBondContact O-N 2.99Å; V459-E462 PolarHBondContact O-N 2.95Å; E462-K466 WeakPolarHBondContact O-CD 3.35Å; E462-K466 VanDerWaalsContact O-CG 3.31Å; E462-K466 WeakPolarHBondContact O-CG 3.44Å; E462-K466 PolarHBondContact O-N 3.47Å; E462-K466 WeakPolarHBondContact OE1-CE 3.31Å; E462-K466 IonicContact OE1-NZ 2.94Å; E462-K466 PolarHBondContact OE1-NZ 2.78Å |
| 463 | E | 74.9 | Confident | 70.7 | Confident | 87 Ų | 87 | 57 Ų | 57 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 172.4 | -72.4 | 173.4 | -173.3 | 0 | 0 | 111.9 | V459 K460 V461 K466 E467 | V459-E463 PolarHBondContact O-N 2.9Å; K460-E463 WeakPolarHBondContact CD-OE2 3.21Å; K460-E463 IonicContact NZ-OE2 3.79Å; K460-E463 PolarHBondContact NZ-OE2 3.07Å; K460-E463 PolarHBondContact O-N 3.02Å; V461-E463 VanDerWaalsContact C-N 3.33Å; V461-E463 PolarHBondContact O-N 2.97Å; E463-K466 PolarHBondContact O-N 3.45Å; E463-E467 PolarHBondContact O-N 3.44Å |
| 464 | I | 69.4 | Low | 71.5 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.7 | -41 | -177.4 | -61.9 | 162 | 0 | 0 | 0 | 111.5 | I224 F289 K460 V461 K466 E467 L468 P617 | I224-I464 HydrophobicContact CD1-CD1 3.68Å; I224-I464 HydrophobicContact CG1-CD1 4Å; F289-I464 HydrophobicContact CD2-CG2 4.26Å; F289-I464 HydrophobicContact CE1-CG2 4.06Å; F289-I464 HydrophobicContact CE2-CB 3.94Å; F289-I464 HydrophobicContact CE2-CD1 3.76Å; F289-I464 HydrophobicContact CE2-CG1 4.47Å; F289-I464 HydrophobicContact CE2-CG2 3.59Å; F289-I464 HydrophobicContact CZ-CB 3.67Å; F289-I464 HydrophobicContact CZ-CD1 4.31Å; F289-I464 HydrophobicContact CZ-CG2 3.47Å; F289-I464 VanDerWaalsContact CZ-CG2 3.47Å; K460-I464 HydrophobicContact CG-CD1 4.29Å; K460-I464 WeakPolarHBondContact O-CD1 3.38Å; K460-I464 WeakPolarHBondContact O-CG1 3.3Å; K460-I464 PolarHBondContact O-N 3.24Å; K460-I464 VanDerWaalsContact O-N 3.14Å; V461-I464 PolarHBondContact O-N 2.86Å; I464-K466 VanDerWaalsContact C-N 3.27Å; I464-K466 PolarHBondContact O-N 3.36Å; I464-E467 PolarHBondContact O-N 2.81Å; I464-E467 VanDerWaalsContact O-N 3.14Å; I464-L468 HydrophobicContact CG2-CD1 3.88Å; I464-L468 HydrophobicContact CG2-CG 4.18Å; I464-L468 WeakPolarHBondContact O-CG 3.18Å; I464-L468 PolarHBondContact O-N 3.13Å; I464-P617 HydrophobicContact CG1-CB 4.14Å |
| 465 | S | 76.9 | Confident | 72 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | 177.9 | -66 | 0 | 0 | 0 | 0 | 112.3 | V461 T469 V475 | V461-S465 VanDerWaalsContact O-CB 3.3Å; V461-S465 WeakPolarHBondContact O-CB 3.31Å; V461-S465 PolarHBondContact O-N 3.04Å; V461-S465 PolarHBondContact O-OG 3.31Å; S465-T469 WeakPolarHBondContact O-CB 3.36Å; S465-T469 PolarHBondContact O-N 2.95Å; S465-T469 PolarHBondContact O-OG1 3.19Å; S465-V475 WeakPolarHBondContact OG-CG1 3.43Å |
| 466 | K | 79 | Confident | 72.5 | Confident | 124 Ų | 124 | 53 Ų | 53 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 174.8 | -75.9 | 168.5 | -174.2 | 164.3 | 0 | 112.3 | E462 E463 I464 S470 | E462-K466 WeakPolarHBondContact O-CD 3.35Å; E462-K466 VanDerWaalsContact O-CG 3.31Å; E462-K466 WeakPolarHBondContact O-CG 3.44Å; E462-K466 PolarHBondContact O-N 3.47Å; E462-K466 WeakPolarHBondContact OE1-CE 3.31Å; E462-K466 IonicContact OE1-NZ 2.94Å; E462-K466 PolarHBondContact OE1-NZ 2.78Å; E463-K466 PolarHBondContact O-N 3.45Å; I464-K466 VanDerWaalsContact C-N 3.27Å; I464-K466 PolarHBondContact O-N 3.36Å; K466-S470 WeakPolarHBondContact O-CB 3.44Å; K466-S470 PolarHBondContact O-N 3.04Å |
| 467 | E | 72.5 | Confident | 73 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 15% | 0.15 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.5 | -45.3 | 176.7 | -171 | 106.5 | -114.5 | 0 | 0 | 112.2 | E463 I464 T469 S470 K471 P617 K618 V621 | E463-E467 PolarHBondContact O-N 3.44Å; I464-E467 PolarHBondContact O-N 2.81Å; I464-E467 VanDerWaalsContact O-N 3.14Å; E467-T469 VanDerWaalsContact C-N 3.3Å; E467-T469 PolarHBondContact O-N 3.09Å; E467-S470 WeakPolarHBondContact O-CA 3.32Å; E467-S470 WeakPolarHBondContact O-CB 3.33Å; E467-S470 PolarHBondContact O-N 2.75Å; E467-S470 PolarHBondContact O-OG 3.13Å; E467-K471 PolarHBondContact O-N 3.46Å; E467-K471 VanDerWaalsContact O-N 3.07Å; E467-P617 HydrophobicContact CB-CB 3.61Å; E467-P617 HydrophobicContact CB-CG 4.31Å; E467-P617 HydrophobicContact CG-CB 3.82Å; E467-P617 VanDerWaalsContact OE2-C 3.31Å; E467-P617 WeakPolarHBondContact OE2-CA 3.32Å; E467-P617 WeakPolarHBondContact OE2-CB 3.29Å; E467-P617 VanDerWaalsContact OE2-CD 3.23Å; E467-P617 WeakPolarHBondContact OE2-CD 3.32Å; E467-P617 VanDerWaalsContact OE2-CG 3.3Å; E467-P617 WeakPolarHBondContact OE2-CG 3.37Å; E467-K618 HydrophobicContact CG-CG 4.22Å; E467-K618 WeakPolarHBondContact OE1-CE 3.29Å; E467-K618 WeakPolarHBondContact OE1-CG 3.48Å; E467-K618 WeakPolarHBondContact OE2-CG 3.38Å; E467-K618 PolarHBondContact OE2-N 2.97Å; E467-V621 HydrophobicContact CG-CG2 4.38Å |
| 468 | L | 71.6 | Confident | 73.5 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 172.9 | -76.2 | 169 | 0 | 0 | 0 | 111.5 | F289 I464 S470 K471 M473 V475 V621 | F289-L468 HydrophobicContact CD1-CD1 3.55Å; F289-L468 HydrophobicContact CE1-CD1 3.53Å; F289-L468 HydrophobicContact CG-CD1 4.36Å; F289-L468 HydrophobicContact CZ-CD1 4.35Å; I464-L468 HydrophobicContact CG2-CD1 3.88Å; I464-L468 HydrophobicContact CG2-CG 4.18Å; I464-L468 WeakPolarHBondContact O-CG 3.18Å; I464-L468 PolarHBondContact O-N 3.13Å; L468-S470 VanDerWaalsContact C-N 3.31Å; L468-S470 PolarHBondContact O-N 3.07Å; L468-K471 CarbonylContact O-C 3.54Å; L468-K471 PolarHBondContact O-N 3.24Å; L468-M473 HydrophobicContact CB-CE 4.49Å; L468-M473 HydrophobicContact CD2-CE 3.47Å; L468-M473 VanDerWaalsContact CD2-CE 3.47Å; L468-M473 HydrophobicContact CD2-SD 4.31Å; L468-M473 PolarHBondContact O-N 3.26Å; L468-M473 VanDerWaalsContact O-N 3.16Å; L468-V475 HydrophobicContact CB-CG2 3.39Å; L468-V475 HydrophobicContact CD1-CG1 4.42Å; L468-V475 HydrophobicContact CD1-CG2 3.71Å; L468-V475 HydrophobicContact CG-CG2 4.17Å; L468-V621 HydrophobicContact CD2-CB 4.45Å; L468-V621 HydrophobicContact CD2-CG1 4.4Å; L468-V621 HydrophobicContact CD2-CG2 3.55Å; L468-V621 HydrophobicContact CG-CG2 4.04Å |
| 469 | T | 78.6 | Confident | 73.7 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 52% | 0.521 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 176 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | S465 E467 K471 S472 | S465-T469 WeakPolarHBondContact O-CB 3.36Å; S465-T469 PolarHBondContact O-N 2.95Å; S465-T469 PolarHBondContact O-OG1 3.19Å; E467-T469 VanDerWaalsContact C-N 3.3Å; E467-T469 PolarHBondContact O-N 3.09Å; T469-K471 VanDerWaalsContact C-N 3.27Å; T469-K471 PolarHBondContact O-N 2.93Å; T469-S472 PolarHBondContact O-N 2.93Å; T469-S472 VanDerWaalsContact O-N 3.1Å |
| 470 | S | 76.6 | Confident | 73.8 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.2 | -25.3 | 176.4 | 81.9 | 0 | 0 | 0 | 0 | 113.8 | K466 E467 L468 S472 | K466-S470 WeakPolarHBondContact O-CB 3.44Å; K466-S470 PolarHBondContact O-N 3.04Å; E467-S470 WeakPolarHBondContact O-CA 3.32Å; E467-S470 WeakPolarHBondContact O-CB 3.33Å; E467-S470 PolarHBondContact O-N 2.75Å; E467-S470 PolarHBondContact O-OG 3.13Å; L468-S470 VanDerWaalsContact C-N 3.31Å; L468-S470 PolarHBondContact O-N 3.07Å; S470-S472 VanDerWaalsContact C-N 3.27Å |
| 471 | K | 70.9 | Confident | 73.9 | Confident | 71 Ų | 71 | 52.5 Ų | 52.5 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 23.5 | 171.7 | -73.8 | -179.2 | 169.2 | -176.2 | 0 | 112.4 | E467 L468 T469 M473 K618 V621 D622 | E467-K471 PolarHBondContact O-N 3.46Å; E467-K471 VanDerWaalsContact O-N 3.07Å; L468-K471 CarbonylContact O-C 3.54Å; L468-K471 PolarHBondContact O-N 3.24Å; T469-K471 VanDerWaalsContact C-N 3.27Å; T469-K471 PolarHBondContact O-N 2.93Å; K471-M473 VanDerWaalsContact C-N 3.28Å; K471-M473 HydrophobicContact CB-CE 3.9Å; K471-M473 PolarHBondContact O-N 3.21Å; K471-K618 PolarHBondContact NZ-O 3.46Å; K471-K618 VanDerWaalsContact NZ-O 3.11Å; K471-V621 HydrophobicContact CD-CB 3.9Å; K471-V621 HydrophobicContact CD-CG1 3.45Å; K471-V621 VanDerWaalsContact CD-CG1 3.45Å; K471-V621 HydrophobicContact CD-CG2 4.18Å; K471-D622 IonicContact NZ-OD1 2.66Å; K471-D622 PolarHBondContact NZ-OD1 2.98Å; K471-D622 IonicContact NZ-OD2 2.79Å; K471-D622 PolarHBondContact NZ-OD2 2.98Å |
| 472 | S | 67.8 | Low | 73.7 | Confident | 114 Ų | 114 | 52.7 Ų | 52.7 | 80% | 0.797 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 24.9 | 176.2 | -55 | 0 | 0 | 0 | 0 | 115.8 | T469 S470 | T469-S472 PolarHBondContact O-N 2.93Å; T469-S472 VanDerWaalsContact O-N 3.1Å; S470-S472 VanDerWaalsContact C-N 3.27Å |
| 473 | M | 68.6 | Low | 72.8 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | trans | -99.1 | 142.8 | 174.2 | -67 | 177 | -75.3 | 0 | 0 | 111.7 | F348 L468 K471 V621 | F348-M473 HydrophobicContact CD2-CB 4.21Å; F348-M473 HydrophobicContact CD2-SD 4.33Å; F348-M473 HydrophobicContact CE2-CB 4.16Å; F348-M473 HydrophobicContact CE2-CG 4.18Å; F348-M473 HydrophobicContact CE2-SD 3.5Å; F348-M473 WeakPolarHBondContact CE2-SD 3.39Å; F348-M473 HydrophobicContact CZ-SD 4Å; L468-M473 HydrophobicContact CB-CE 4.49Å; L468-M473 HydrophobicContact CD2-CE 3.47Å; L468-M473 VanDerWaalsContact CD2-CE 3.47Å; L468-M473 HydrophobicContact CD2-SD 4.31Å; L468-M473 PolarHBondContact O-N 3.26Å; L468-M473 VanDerWaalsContact O-N 3.16Å; K471-M473 VanDerWaalsContact C-N 3.28Å; K471-M473 HydrophobicContact CB-CE 3.9Å; K471-M473 PolarHBondContact O-N 3.21Å; M473-V621 HydrophobicContact CE-CB 4.5Å; M473-V621 HydrophobicContact CE-CG1 3.36Å; M473-V621 HydrophobicContact CE-CG2 4.42Å | ||
| 474 | V | 74.8 | Confident | 71.9 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123 | 177.8 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | Y328 L347 F348 | Y328-V474 HydrophobicContact CE1-CG1 4.08Å; Y328-V474 WeakPolarHBondContact OH-CG1 3.28Å; L347-V474 WeakPolarHBondContact CA-O 3.32Å; L347-V474 HydrophobicContact CD1-CB 4.31Å; L347-V474 HydrophobicContact CD1-CG1 3.71Å; F348-V474 PolarHBondContact N-O 3.15Å |
| 475 | V | 74.5 | Confident | 71.1 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 11% | 0.109 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.7 | 176 | -168.9 | 0 | 0 | 0 | 0 | 109.5 | F289 F348 P350 S465 L468 | F289-V475 HydrophobicContact CE1-CG1 4.22Å; F348-V475 HydrophobicContact CB-CG1 4.44Å; F348-V475 HydrophobicContact CB-CG2 4.43Å; F348-V475 WeakPolarHBondContact O-CA 3.45Å; F348-V475 WeakPolarHBondContact O-CG1 3.49Å; P350-V475 HydrophobicContact CG-CG1 4.4Å; S465-V475 WeakPolarHBondContact OG-CG1 3.43Å; L468-V475 HydrophobicContact CB-CG2 3.39Å; L468-V475 HydrophobicContact CD1-CG1 4.42Å; L468-V475 HydrophobicContact CD1-CG2 3.71Å; L468-V475 HydrophobicContact CG-CG2 4.17Å |
| 476 | H | 78.2 | Confident | 69.6 | Low | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.06 | 26% | 0.264 | C | S | . | . | trans | -67.5 | 128 | 178 | -170.3 | -104.3 | 0 | 0 | 0 | 110.6 | I324 Y328 L347 F348 L349 K478 | I324-H476 WeakPolarHBondContact CG2-CE1 3.43Å; Y328-H476 AromaticContact CD2-CD2 3.49Å; Y328-H476 VanDerWaalsContact CD2-CD2 3.49Å; Y328-H476 WeakPolarHBondContact CD2-CD2 3.26Å; Y328-H476 AromaticContact CD2-NE2 3.92Å; Y328-H476 AromaticContact CG-CD2 3.93Å; L347-H476 HydrophobicContact CD1-CB 4.06Å; L347-H476 HydrophobicContact CD2-CB 4.44Å; L347-H476 HydrophobicContact CG-CB 4.39Å; F348-H476 PolarHBondContact O-N 2.99Å; L349-H476 HydrophobicContact CD1-CB 3.75Å; H476-K478 PolarHBondContact ND1-N 2.9Å; H476-K478 PolarHBondContact ND1-O 3.27Å; H476-K478 PolarHBondContact O-N 2.91Å | ||
| 477 | P | 73.7 | Confident | 67.8 | Low | 101 Ų | 101 | 47.3 Ų | 47.3 | 66% | 0.656 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -72.1 | -12.6 | -171.4 | 27.6 | -36.2 | 0 | 0 | 0 | 114.6 | ||
| 478 | K | 74.7 | Confident | 66.2 | Low | 114 Ų | 114 | 47.8 Ų | 47.8 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -115.6 | 116.5 | 178.3 | -56.6 | 168.4 | -174.9 | 162.9 | 0 | 109.7 | H476 | H476-K478 PolarHBondContact ND1-N 2.9Å; H476-K478 PolarHBondContact ND1-O 3.27Å; H476-K478 PolarHBondContact O-N 2.91Å |
| 479 | P | 75 | Confident | 64.9 | Low | 15 Ų | 15 | 51.8 Ų | 51.8 | 10% | 0.097 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 139.7 | 173.9 | 28 | -31.2 | 0 | 0 | 0 | 111.9 | P350 I352 S375 L458 V461 | P350-P479 HydrophobicContact CB-CB 4.04Å; P350-P479 HydrophobicContact CG-CB 3.94Å; P350-P479 CarbonylContact O-C 3.55Å; P350-P479 WeakPolarHBondContact O-CA 3.4Å; I352-P479 HydrophobicContact CD1-CB 4.1Å; I352-P479 HydrophobicContact CD1-CG 4.27Å; I352-P479 HydrophobicContact CG1-CB 4.35Å; S375-P479 WeakPolarHBondContact CB-O 3.42Å; L458-P479 HydrophobicContact CD2-CG 3.44Å; L458-P479 VanDerWaalsContact CD2-CG 3.44Å; V461-P479 HydrophobicContact CG1-CB 4.23Å; V461-P479 HydrophobicContact CG1-CG 4.41Å |
| 480 | L | 75.5 | Confident | 62.6 | Low | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.9 | 176.9 | -168.2 | 60.6 | 0 | 0 | 0 | 109.8 | L317 R320 I321 I324 P350 I351 I352 L372 V482 | L317-L480 HydrophobicContact CD1-CD2 3.63Å; R320-L480 HydrophobicContact CG-CD1 4.45Å; I321-L480 HydrophobicContact CG1-CD2 3.88Å; I324-L480 HydrophobicContact CD1-CD1 3.78Å; P350-L480 PolarHBondContact O-N 3.36Å; I351-L480 CarbonylContact C-O 3.55Å; I351-L480 WeakPolarHBondContact CA-O 3.34Å; I351-L480 HydrophobicContact CG1-CB 4.33Å; I351-L480 HydrophobicContact CG2-CB 4.38Å; I352-L480 PolarHBondContact N-O 3.04Å; L372-L480 HydrophobicContact CD2-CD1 3.86Å; L372-L480 HydrophobicContact CD2-CD2 4.01Å; L372-L480 HydrophobicContact CD2-CG 4.07Å; L480-V482 HydrophobicContact CD2-CG2 4.31Å; L480-V482 HydrophobicContact CG-CG2 4.16Å |
| 481 | T | 67.9 | Low | 60.4 | Low | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | I352 L354 V373 I454 | I352-T481 WeakPolarHBondContact O-CA 3.47Å; L354-T481 HydrophobicContact CD1-CG2 3.52Å; L354-T481 HydrophobicContact CG-CG2 4.17Å; V373-T481 PolarHBondContact N-O 2.97Å; I454-T481 HydrophobicContact CD1-CG2 4.46Å |
| 482 | V | 67.1 | Low | 58.3 | Low | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.7 | -176.6 | -178 | 0 | 0 | 0 | 0 | 108.6 | L317 I351 I352 F353 L354 L372 L480 V484 | L317-V482 HydrophobicContact CD1-CG2 3.62Å; L317-V482 HydrophobicContact CD2-CG1 4.34Å; L317-V482 HydrophobicContact CD2-CG2 4.38Å; I351-V482 HydrophobicContact CG2-CB 4.42Å; I351-V482 HydrophobicContact CG2-CG2 3.71Å; I352-V482 PolarHBondContact O-N 3.21Å; F353-V482 CarbonylContact C-O 3.59Å; F353-V482 WeakPolarHBondContact CA-O 3.22Å; F353-V482 HydrophobicContact CD1-CB 3.67Å; F353-V482 HydrophobicContact CD1-CG1 3.89Å; F353-V482 HydrophobicContact CD1-CG2 4.35Å; F353-V482 HydrophobicContact CE1-CB 3.87Å; F353-V482 HydrophobicContact CE1-CG1 3.96Å; F353-V482 HydrophobicContact CE1-CG2 4.09Å; L354-V482 PolarHBondContact N-O 3.47Å; L372-V482 HydrophobicContact CD2-CG2 4.37Å; L480-V482 HydrophobicContact CD2-CG2 4.31Å; L480-V482 HydrophobicContact CG-CG2 4.16Å; V482-V484 HydrophobicContact CG1-CG2 4.05Å |
| 483 | I | 61.6 | Low | 56.5 | Low | 20 Ų | 20 | 46.7 Ų | 46.7 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.1 | 178.7 | -61.2 | 177.5 | 0 | 0 | 0 | 108.7 | L354 L359 F371 V373 L383 | L354-I483 HydrophobicContact CD1-CG1 4.25Å; L359-I483 HydrophobicContact CD1-CG2 3.46Å; L359-I483 VanDerWaalsContact CD1-CG2 3.46Å; L359-I483 HydrophobicContact CD2-CG2 3.7Å; L359-I483 HydrophobicContact CG-CG2 4.19Å; F371-I483 WeakPolarHBondContact CD1-O 3.26Å; F371-I483 VanDerWaalsContact CE1-O 3.28Å; F371-I483 WeakPolarHBondContact CE1-O 3.48Å; F371-I483 PolarHBondContact O-N 3.17Å; V373-I483 HydrophobicContact CG2-CD1 3.85Å; V373-I483 HydrophobicContact CG2-CG1 4.37Å; L383-I483 HydrophobicContact CD1-CD1 3.89Å |
| 484 | V | 55.8 | Low | 54.5 | Low | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 118.1 | -177.5 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | F309 V310 F353 L354 V355 C356 V482 C488 I489 | F309-V484 HydrophobicContact CD1-CG2 4.42Å; F309-V484 HydrophobicContact CE1-CB 4.24Å; F309-V484 HydrophobicContact CE1-CG1 4.24Å; F309-V484 HydrophobicContact CE1-CG2 4.15Å; V310-V484 HydrophobicContact CG2-CG2 4.22Å; F353-V484 HydrophobicContact CB-CG2 4.16Å; F353-V484 HydrophobicContact CD1-CG2 3.56Å; F353-V484 HydrophobicContact CE1-CG2 4.43Å; F353-V484 HydrophobicContact CG-CG2 4.29Å; L354-V484 PolarHBondContact O-N 3.45Å; V355-V484 WeakPolarHBondContact CA-O 3.47Å; C356-V484 PolarHBondContact N-O 3.46Å; V482-V484 HydrophobicContact CG1-CG2 4.05Å; V484-C488 HydrophobicContact CG1-CB 4.08Å; V484-I489 HydrophobicContact CG1-CG1 4.31Å |
| 485 | A | 50.9 | Low | 52.4 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L359 T360 K487 C488 | L359-A485 HydrophobicContact CB-CB 4.4Å; T360-A485 HydrophobicContact CG2-CB 4.12Å; A485-K487 PolarHBondContact O-N 3.26Å; A485-C488 WeakPolarHBondContact O-CB 3.46Å; A485-C488 PolarHBondContact O-N 2.73Å |
| 486 | E | 47.2 | Very low | 50.3 | Low | 93 Ų | 93 | 57.4 Ų | 57.4 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -54.9 | -28.3 | 179.9 | -170.9 | -176.6 | 140.2 | 0 | 0 | 112.5 | C356 D357 C488 I489 | C356-E486 PolarHBondContact O-N 2.93Å; D357-E486 VanDerWaalsContact CB-OE2 3.31Å; D357-E486 WeakPolarHBondContact CB-OE2 3.35Å; E486-C488 PolarHBondContact O-N 3.44Å; E486-I489 HydrophobicContact CG-CD1 4.47Å; E486-I489 WeakPolarHBondContact O-CB 3.47Å; E486-I489 PolarHBondContact O-N 3.32Å; E486-I489 VanDerWaalsContact O-N 3.15Å |
| 487 | K | 41.1 | Very low | 47.9 | Very low | 110 Ų | 110 | 60 Ų | 60 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -70.1 | -9 | 174.4 | -59.4 | -172.4 | -167 | 149 | 0 | 115.2 | T360 A485 | T360-K487 VanDerWaalsContact CB-NZ 3.32Å; T360-K487 HydrophobicContact CG2-CB 4.25Å; T360-K487 HydrophobicContact CG2-CD 3.52Å; T360-K487 HydrophobicContact CG2-CG 3.95Å; T360-K487 PolarHBondContact OG1-NZ 2.85Å; A485-K487 PolarHBondContact O-N 3.26Å |
| 488 | C | 38.2 | Very low | 45.8 | Very low | 42 Ų | 42 | 58.8 Ų | 58.8 | 28% | 0.284 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -91.2 | -4.2 | 171.9 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | V484 A485 E486 D490 | V484-C488 HydrophobicContact CG1-CB 4.08Å; A485-C488 WeakPolarHBondContact O-CB 3.46Å; A485-C488 PolarHBondContact O-N 2.73Å; E486-C488 PolarHBondContact O-N 3.44Å; C488-D490 PolarHBondContact O-N 2.83Å |
| 489 | I | 43.8 | Very low | 43.7 | Very low | 86 Ų | 86 | 59 Ų | 59 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -82.8 | 51.5 | 168.3 | -45.2 | 176.1 | 0 | 0 | 0 | 107.8 | F309 V355 V484 E486 | F309-I489 HydrophobicContact CZ-CD1 4Å; V355-I489 HydrophobicContact CG1-CD1 3.96Å; V484-I489 HydrophobicContact CG1-CG1 4.31Å; E486-I489 HydrophobicContact CG-CD1 4.47Å; E486-I489 WeakPolarHBondContact O-CB 3.47Å; E486-I489 PolarHBondContact O-N 3.32Å; E486-I489 VanDerWaalsContact O-N 3.15Å |
| 490 | D | 31.4 | Very low | 41.5 | Very low | 110 Ų | 110 | 65.1 Ų | 65.1 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | trans | -79.3 | 133.7 | -170.8 | -103.2 | -20.8 | 0 | 0 | 0 | 111.1 | C488 T492 | C488-D490 PolarHBondContact O-N 2.83Å; D490-T492 PolarHBondContact O-N 2.89Å; D490-T492 VanDerWaalsContact O-N 3.11Å | ||
| 491 | S | 30.6 | Very low | 39.2 | Very low | 50 Ų | 50 | 72.9 Ų | 72.9 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | trans | -68.8 | 93.8 | -175 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | E634 | S491-E634 VanDerWaalsContact C-CD 3.5Å; S491-E634 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 492 | T | 26.7 | Very low | 37.3 | Very low | 73 Ų | 73 | 75.5 Ų | 75.5 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | trans | -142.8 | 37.4 | 165.5 | 49.7 | 0 | 0 | 0 | 0 | 115 | D490 E634 | D490-T492 PolarHBondContact O-N 2.89Å; D490-T492 VanDerWaalsContact O-N 3.11Å; T492-E634 VanDerWaalsContact C-CB 3.45Å; T492-E634 VanDerWaalsContact CA-OE2 3.29Å; T492-E634 WeakPolarHBondContact CA-OE2 3.5Å; T492-E634 PolarHBondContact N-OE2 3.3Å | ||
| 493 | G | 29.3 | Very low | 35.3 | Very low | 11 Ų | 11 | 78.8 Ų | 78.8 | 11% | 0.113 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -123.9 | 135.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N495 F496 V633 E634 | G493-N495 PolarHBondContact O-N 3.4Å; G493-F496 PolarHBondContact O-N 3.36Å; G493-F496 VanDerWaalsContact O-N 3.16Å; G493-V633 CarbonylContact C-O 3.46Å; G493-V633 WeakPolarHBondContact CA-O 3.43Å; G493-E634 PolarHBondContact N-OE2 3.41Å; G493-E634 VanDerWaalsContact O-CG 3.23Å; G493-E634 WeakPolarHBondContact O-CG 3.31Å |
| 494 | P | 27.3 | Very low | 33.7 | Very low | 50 Ų | 50 | 79.7 Ų | 79.7 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.4 | -146.1 | 35.6 | -37 | 0 | 0 | 0 | 114.5 | N632 V633 | P494-N632 WeakPolarHBondContact CG-O 3.27Å; P494-V633 VanDerWaalsContact CA-O 3.3Å; P494-V633 WeakPolarHBondContact CA-O 3.48Å; P494-V633 VanDerWaalsContact CB-C 3.43Å; P494-V633 HydrophobicContact CB-CB 3.97Å; P494-V633 HydrophobicContact CB-CG1 4.43Å; P494-V633 WeakPolarHBondContact CB-O 3.45Å; P494-V633 WeakPolarHBondContact CD-O 3.3Å; P494-V633 HydrophobicContact CG-CB 4.35Å |
| 495 | N | 30.6 | Very low | 32.4 | Very low | 136 Ų | 136 | 86.1 Ų | 86.1 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 0 | -173.1 | -59 | -39.1 | 0 | 0 | 0 | 110.9 | G493 | G493-N495 PolarHBondContact O-N 3.4Š|
| 496 | F | 29.8 | Very low | 31.3 | Very low | 148 Ų | 148 | 89.5 Ų | 89.5 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | trans | -106.4 | 65.1 | 175 | -86.7 | -84.8 | 0 | 0 | 0 | 112.7 | G493 | G493-F496 PolarHBondContact O-N 3.36Å; G493-F496 VanDerWaalsContact O-N 3.16Å | ||
| 497 | S | 27.1 | Very low | 30.4 | Very low | 67 Ų | 67 | 89 Ų | 89 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | trans | -60.6 | 148.6 | 173.8 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | D499 Y500 | S497-D499 PolarHBondContact O-N 3.46Å; S497-Y500 PolarHBondContact O-N 3.46Å | ||
| 498 | S | 29.6 | Very low | 29.8 | Very low | 76 Ų | 76 | 90.4 Ų | 90.4 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.5 | -165.1 | 71.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 499 | D | 30.9 | Very low | 29.2 | Very low | 119 Ų | 119 | 93.9 Ų | 93.9 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -32.5 | -180 | -71.9 | -54 | 0 | 0 | 0 | 113.9 | S497 R501 S502 | S497-D499 PolarHBondContact O-N 3.46Å; D499-R501 PolarHBondContact O-N 3.28Å; D499-S502 PolarHBondContact O-N 3.37Å; D499-S502 VanDerWaalsContact O-N 3.15Å; D499-S502 PolarHBondContact O-OG 3.18Å |
| 500 | Y | 29.3 | Very low | 28.3 | Very low | 143 Ų | 143 | 95.7 Ų | 95.7 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -61.6 | -28.2 | -176.8 | -90.5 | -93 | 0 | 0 | 0 | 113.2 | S497 S502 Y503 | S497-Y500 PolarHBondContact O-N 3.46Å; Y500-S502 PolarHBondContact O-N 2.78Å; Y500-Y503 PolarHBondContact O-N 3.45Å; Y500-Y503 VanDerWaalsContact O-N 3.13Å |
| 501 | R | 26.4 | Very low | 28.3 | Very low | 170 Ų | 170 | 96.2 Ų | 96.2 | 64% | 0.642 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -60.5 | -18 | 178.8 | -153.4 | 176.4 | -163.4 | 156.5 | 12.7 | 113.5 | D499 | D499-R501 PolarHBondContact O-N 3.28Š|
| 502 | S | 28.8 | Very low | 28.1 | Very low | 61 Ų | 61 | 99.1 Ų | 99.1 | 43% | 0.427 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -91.2 | -15 | -179 | 75 | 0 | 0 | 0 | 0 | 114.7 | D499 Y500 | D499-S502 PolarHBondContact O-N 3.37Å; D499-S502 VanDerWaalsContact O-N 3.15Å; D499-S502 PolarHBondContact O-OG 3.18Å; Y500-S502 PolarHBondContact O-N 2.78Å |
| 503 | Y | 25.8 | Very low | 28.1 | Very low | 81 Ų | 81 | 100.2 Ų | 100.2 | 32% | 0.318 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -32.9 | -165.2 | -94.9 | -157.8 | 0 | 0 | 0 | 114.8 | Y500 L505 P603 G604 R605 T606 | Y500-Y503 PolarHBondContact O-N 3.45Å; Y500-Y503 VanDerWaalsContact O-N 3.13Å; Y503-L505 VanDerWaalsContact C-N 3.3Å; Y503-L505 PolarHBondContact O-N 3.43Å; Y503-P603 PolarHBondContact OH-O 3.18Å; Y503-P603 VanDerWaalsContact OH-O 3.08Å; Y503-G604 VanDerWaalsContact CD1-C 3.47Å; Y503-G604 WeakPolarHBondContact CD1-O 3.26Å; Y503-G604 WeakPolarHBondContact CE1-O 3.37Å; Y503-R605 HydrophobicContact CD1-CB 4.23Å; Y503-R605 HydrophobicContact CD2-CB 4.13Å; Y503-R605 HydrophobicContact CD2-CG 4Å; Y503-R605 VanDerWaalsContact CE1-CA 3.48Å; Y503-R605 HydrophobicContact CE1-CB 4.05Å; Y503-R605 HydrophobicContact CE2-CB 3.93Å; Y503-R605 HydrophobicContact CE2-CG 4.09Å; Y503-R605 HydrophobicContact CG-CB 4.22Å; Y503-R605 HydrophobicContact CG-CG 4.32Å; Y503-T606 CarbonylContact O-C 3.52Å |
| 504 | A | 28.1 | Very low | 28 | Very low | 38 Ų | 38 | 106.6 Ų | 106.6 | 31% | 0.314 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -36 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T606 L608 | A504-T606 WeakPolarHBondContact CA-O 3.45Å; A504-L608 HydrophobicContact CB-CB 4.28Å; A504-L608 HydrophobicContact CB-CD1 4.11Å |
| 505 | L | 27.1 | Very low | 27.9 | Very low | 144 Ų | 144 | 109 Ų | 109 | 75% | 0.754 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 3.7 | -167.7 | -78.1 | 160 | 0 | 0 | 0 | 115.8 | Y503 | Y503-L505 VanDerWaalsContact C-N 3.3Å; Y503-L505 PolarHBondContact O-N 3.43Å |
| 506 | K | 27.6 | Very low | 27.8 | Very low | 72 Ų | 72 | 112.9 Ų | 112.9 | 31% | 0.313 | 58% | 0.58 | S | S | . | * | trans | -117.6 | 23.3 | -165.4 | -94.6 | -168.4 | 174.6 | -170.4 | 0 | 117.2 | T273 R605 | T273-K506 HydrophobicContact CG2-CD 4.18Å; T273-K506 HydrophobicContact CG2-CG 4.3Å; T273-K506 WeakPolarHBondContact OG1-CE 3.08Å; K506-R605 HydrophobicContact CB-CG 4.43Å; K506-R605 WeakPolarHBondContact O-CD 3.45Å; K506-R605 PolarHBondContact O-NH1 2.89Å; K506-R605 VanDerWaalsContact O-NH1 3.13Å | ||
| 507 | H | 29.2 | Very low | 27.6 | Very low | 82 Ų | 82 | 114 Ų | 114 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | trans | -130.5 | 42.9 | -168.5 | -110.6 | -28 | 0 | 0 | 0 | 118.9 | R605 R607 | H507-R605 WeakPolarHBondContact CD2-CD 3.35Å; H507-R605 VanDerWaalsContact CD2-CG 3.42Å; H507-R605 WeakPolarHBondContact CD2-CG 3.42Å; H507-R605 PolarHBondContact CD2-O 2.73Å; H507-R605 VanDerWaalsContact CG-CD 3.49Å; H507-R605 WeakPolarHBondContact ND1-CD 3.35Å; H507-R607 HydrophobicContact CB-CG 3.9Å | ||
| 508 | V | 27.8 | Very low | 27.4 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 84% | 0.842 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -136.4 | 87.6 | 156.6 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 509 | K | 26 | Very low | 27.3 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 50% | 0.5 | 62% | 0.622 | S | S | . | * | trans | -177.1 | 125.8 | 155.7 | -106.4 | 164 | -175.4 | 172.7 | 0 | 109 | T274 T511 | T274-K509 PolarHBondContact OG1-NZ 3.25Å; K509-T511 PolarHBondContact O-N 3.35Å | ||
| 510 | P | 25.6 | Very low | 26.9 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 63% | 0.632 | S | S | * | * | trans | -73.1 | 122.8 | 168.4 | 30.1 | -31 | 0 | 0 | 0 | 108.8 | ||||
| 511 | T | 29.8 | Very low | 26.8 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 65% | 0.645 | S | S | * | * | trans | -89.3 | 113.2 | 167.5 | 27.4 | 0 | 0 | 0 | 0 | 108.6 | K509 | K509-T511 PolarHBondContact O-N 3.35Š| ||
| 512 | E | 27.1 | Very low | 26.6 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 51% | 0.514 | 65% | 0.647 | S | S | . | * | trans | -82.9 | 124 | 170.6 | -51.8 | 173.9 | 106.9 | 0 | 0 | 108.7 | R717 | E512-R717 VanDerWaalsContact CD-CZ 3.42Å; E512-R717 VanDerWaalsContact CD-NE 3.3Å; E512-R717 IonicContact OE1-CZ 2.78Å; E512-R717 IonicContact OE1-NE 3.59Å; E512-R717 IonicContact OE1-NH2 3.77Å; E512-R717 PolarHBondContact OE1-NH2 3.15Å; E512-R717 IonicContact OE2-CZ 3.79Å; E512-R717 IonicContact OE2-NE 3.33Å; E512-R717 PolarHBondContact OE2-NE 3.03Å; E512-R717 IonicContact OE2-NH2 2.75Å; E512-R717 PolarHBondContact OE2-NH2 2.92Å | ||
| 513 | D | 26.5 | Very low | 26.4 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | trans | 170.8 | 100.9 | 145 | -92.6 | -2.7 | 0 | 0 | 0 | 112.1 | R717 | D513-R717 IonicContact OD1-CZ 3.99Å; D513-R717 IonicContact OD1-NH1 3.63Å; D513-R717 PolarHBondContact OD1-NH1 2.92Å | ||
| 514 | T | 28.3 | Very low | 26.3 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 68% | 0.682 | S | S | * | * | trans | -146.4 | 120.7 | 143.2 | 36.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 515 | I | 24.3 | Very low | 26.2 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 52% | 0.518 | 70% | 0.701 | S | S | . | * | trans | -93.6 | 134.9 | 176.4 | -63 | 159.5 | 0 | 0 | 0 | 107.9 | ||||
| 516 | Y | 28.3 | Very low | 26.3 | Very low | 217 Ų | 217 | 137.8 Ų | 137.8 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | -161.7 | 103.2 | 141.1 | -76.2 | -61.9 | 0 | 0 | 0 | 104.6 | ||||
| 517 | E | 26.7 | Very low | 26.3 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | 67.5 | 133.7 | 87.6 | -85.9 | -178 | 175.1 | 0 | 0 | 114.1 | |||||
| 518 | E | 22.3 | Very low | 26.2 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -75.9 | 158.2 | -164.2 | -64.4 | 157.7 | 141.5 | 0 | 0 | 112.7 | ||||
| 519 | N | 26.5 | Very low | 26.3 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | -164.5 | 127.6 | 120.7 | -89.4 | -44.7 | 0 | 0 | 0 | 109.9 | |||||
| 520 | E | 23.2 | Very low | 26.4 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -70.3 | 151.2 | 165.1 | -59.6 | 172.6 | 128.5 | 0 | 0 | 110 | ||||
| 521 | V | 27.4 | Very low | 26.5 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -171.4 | 95.5 | 132.4 | 172 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 522 | D | 22.3 | Very low | 26.4 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | 52 | 142.6 | 121 | -97 | -14.6 | 0 | 0 | 0 | 126.3 | |||||
| 523 | Y | 23.9 | Very low | 26.5 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | 77.7 | 104.7 | 145.2 | -75.3 | -58.2 | 0 | 0 | 0 | 125 | ||||
| 524 | Q | 25.3 | Very low | 26.6 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | 88 | 157 | 121 | -103.7 | 165.5 | -8.1 | 0 | 0 | 123.1 | |||||
| 525 | T | 25.6 | Very low | 26.9 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -96.9 | 167.3 | -163.3 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 526 | D | 28.9 | Very low | 27.1 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | 160.1 | 112.6 | 124.2 | -74.4 | -5.3 | 0 | 0 | 0 | 108 | |||||
| 527 | E | 26.8 | Very low | 27 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | 91.5 | 137.6 | 75.9 | -130.7 | -165.7 | -133.6 | 0 | 0 | 115.2 | |||||
| 528 | N | 28.7 | Very low | 27.2 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | 77.5 | 138.5 | 164.6 | -58 | -54.6 | 0 | 0 | 0 | 120.9 | ||||
| 529 | G | 28.3 | Very low | 27.4 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | -178.6 | -11.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 530 | N | 28.5 | Very low | 27.5 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 63.2 | 152.9 | 158.6 | -124.3 | 9.7 | 0 | 0 | 0 | 123 | ||||
| 531 | S | 27.9 | Very low | 27.6 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | 63.3 | 147 | 149.8 | 64.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 532 | D | 26.9 | Very low | 27.6 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -165.6 | -178.7 | -13.8 | -109.4 | -38.2 | 0 | 0 | 0 | 110.2 | ||||
| 533 | N | 30.9 | Very low | 27.8 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | 98.3 | 84.4 | 162.3 | -55.3 | -45.6 | 0 | 0 | 0 | 118.8 | ||||
| 534 | T | 27.7 | Very low | 27.8 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -63.6 | -160 | 155.6 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 535 | P | 33.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | -136 | -174.9 | -63.7 | 38.9 | -23 | 0 | 0 | 0 | 112.8 | |||||
| 536 | S | 28.2 | Very low | 27.7 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | -170.2 | 122.1 | 135.7 | 58 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 537 | T | 28.1 | Very low | 27.5 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | 61.9 | 139.1 | 138.7 | 57.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 538 | K | 29.3 | Very low | 27.4 | Very low | 149 Ų | 149 | 131 Ų | 131 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | cis | -165.3 | 151.1 | 11.8 | -120.3 | 164.6 | 167.5 | -103.4 | 0 | 112.8 | ||||
| 539 | E | 27.2 | Very low | 27 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 47.2 | 142.5 | 143.2 | -67.9 | 149.6 | -176.4 | 0 | 0 | 120.7 | ||||
| 540 | S | 28 | Very low | 26.8 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -168.5 | 129.6 | -2.9 | 49 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 541 | A | 26.3 | Very low | 26.5 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | 87.5 | 145.6 | 58.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 542 | Y | 26.7 | Very low | 26.3 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | 89 | 136.6 | 174.8 | -72 | -103.5 | 0 | 0 | 0 | 118.6 | ||||
| 543 | N | 27 | Very low | 26.1 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | cis | -174.4 | 123.8 | -21.8 | -110 | 7.2 | 0 | 0 | 0 | 104.8 | ||||
| 544 | T | 23.9 | Very low | 25.8 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | 51.5 | 102.4 | 100.1 | -49.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 545 | S | 24.5 | Very low | 25.6 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | 176.3 | 142.8 | 121.6 | 46.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 546 | Q | 24.4 | Very low | 25.1 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | trans | 64.8 | 124.1 | 140.3 | -73.7 | -179.9 | 9.7 | 0 | 0 | 122.9 | ||||
| 547 | N | 24.5 | Very low | 24.9 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | trans | 89 | 122.3 | 134.6 | -65.4 | -25.4 | 0 | 0 | 0 | 121.9 | ||||
| 548 | K | 24.1 | Very low | 24.7 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | trans | 64 | 101.4 | 138.9 | -71.5 | 178 | 171.9 | 177.9 | 0 | 119.7 | ||||
| 549 | M | 21.4 | Very low | 24.4 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | 43.2 | 106.6 | 101.3 | -150.3 | -177 | -155.1 | 0 | 0 | 117.1 | |||||
| 550 | I | 23.4 | Very low | 24.5 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 80% | 0.795 | 74% | 0.736 | S | S | * | * | 167.6 | 152.6 | 124.7 | -84.7 | 156.7 | 0 | 0 | 0 | 110.5 | |||||
| 551 | S | 22.5 | Very low | 24.3 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -29.2 | 154.3 | 174.2 | 61.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 552 | S | 23.4 | Very low | 24.2 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | cis | -170.5 | 150 | 33 | 28.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 553 | G | 22.7 | Very low | 24.1 | Very low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 73% | 0.731 | S | S | * | * | 94.1 | 130.9 | 82.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 554 | H | 24.5 | Very low | 24.2 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | 67.4 | 152.1 | -177.1 | -50.4 | -78 | 0 | 0 | 0 | 115.6 | ||||
| 555 | H | 23.3 | Very low | 24.3 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | cis | -159.7 | 150.2 | -27.5 | -116.3 | -44.7 | 0 | 0 | 0 | 108.4 | ||||
| 556 | L | 23.4 | Very low | 24.6 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | trans | 64.4 | 144.5 | 151 | -97.2 | 69.8 | 0 | 0 | 0 | 121.7 | ||||
| 557 | E | 23.5 | Very low | 24.9 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 84.2 | 107.7 | 141.7 | -74.4 | 173.5 | 161 | 0 | 0 | 122.2 | ||||
| 558 | N | 25.4 | Very low | 25 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 84.5 | 92.9 | 129.1 | -56.8 | -15.5 | 0 | 0 | 0 | 119.8 | |||||
| 559 | S | 23.4 | Very low | 25.2 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | 41.8 | 124.7 | 126.5 | 58.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 560 | H | 28 | Very low | 25.6 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 85% | 0.847 | 74% | 0.735 | S | S | * | * | -174.1 | 151.9 | 107.3 | -88.2 | -64.7 | 0 | 0 | 0 | 110.9 | |||||
| 561 | L | 23.6 | Very low | 25.7 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | trans | -70.3 | 157.5 | 178.9 | -82.4 | 83.7 | 0 | 0 | 0 | 111.6 | ||||
| 562 | N | 25.5 | Very low | 26 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | -170.4 | 172.8 | 69.2 | -146.7 | -5.2 | 0 | 0 | 0 | 114.9 | |||||
| 563 | L | 24.5 | Very low | 26.2 | Very low | 119 Ų | 119 | 138 Ų | 138 | 62% | 0.623 | 71% | 0.709 | S | S | * | * | trans | -96.6 | 156.2 | -172.8 | -68.9 | 104.6 | 0 | 0 | 0 | 116.3 | Y587 | L563-Y587 HydrophobicContact CD2-CG 4.5Š| ||
| 564 | D | 27.8 | Very low | 26.5 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | -170.1 | 164.7 | 153.9 | -97.8 | -34.9 | 0 | 0 | 0 | 108.4 | ||||
| 565 | H | 26.9 | Very low | 26.6 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | cis | -147.1 | 169.9 | -9.5 | -128.4 | -80.9 | 0 | 0 | 0 | 106.6 | ||||
| 566 | P | 30.7 | Very low | 26.9 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | trans | -124.2 | -167.8 | -154.4 | 43.2 | -31.9 | 0 | 0 | 0 | 116.8 | ||||
| 567 | K | 30.2 | Very low | 27.2 | Very low | 216 Ų | 216 | 135 Ų | 135 | 94% | 0.939 | 69% | 0.694 | S | S | * | * | trans | -144.7 | 148.7 | 158.3 | -92.9 | -172.9 | 177.3 | -178.4 | 0 | 112 | ||||
| 568 | L | 27.3 | Very low | 27.4 | Very low | 156 Ų | 156 | 134 Ų | 134 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | trans | -153.4 | 176.8 | -161.7 | -159.9 | 117.8 | 0 | 0 | 0 | 113.2 | ||||
| 569 | S | 28.7 | Very low | 27.4 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | 89.9 | 153.2 | 166.1 | 88.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 570 | Y | 28.1 | Very low | 27.7 | Very low | 170 Ų | 170 | 133 Ų | 133 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | cis | -158.7 | -172.9 | -1.4 | -146.7 | -149.8 | 0 | 0 | 0 | 112.3 | R573 | Y570-R573 HydrophobicContact CE1-CG 4.44Å; Y570-R573 HydrophobicContact CE2-CG 4.42Å | ||
| 571 | E | 26.2 | Very low | 27.8 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 61% | 0.612 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 84 | 55.6 | 169.4 | -55.7 | -95.4 | 93.9 | 0 | 0 | 119 | R573 | E571-R573 WeakPolarHBondContact OE1-CD 3.37Å; E571-R573 IonicContact OE1-CZ 2.63Å; E571-R573 IonicContact OE1-NE 3.92Å; E571-R573 IonicContact OE1-NH1 2.82Å; E571-R573 PolarHBondContact OE1-NH1 3.39Å |
| 572 | S | 28.2 | Very low | 28 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 53% | 0.531 | 66% | 0.655 | S | S | . | * | trans | -174.6 | 38.8 | 144.4 | 31.3 | 0 | 0 | 0 | 0 | 110.3 | I576 | S572-I576 WeakPolarHBondContact O-CB 3.47Å; S572-I576 WeakPolarHBondContact O-CD1 3.45Å; S572-I576 VanDerWaalsContact O-CG1 3.32Å; S572-I576 WeakPolarHBondContact O-CG1 3.38Å | ||
| 573 | R | 27.5 | Very low | 28 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 60% | 0.604 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | 40.9 | 93.9 | 88.6 | -86.4 | -178.8 | 154 | 179.1 | -11.6 | 111.6 | Y570 E571 | Y570-R573 HydrophobicContact CE1-CG 4.44Å; Y570-R573 HydrophobicContact CE2-CG 4.42Å; E571-R573 WeakPolarHBondContact OE1-CD 3.37Å; E571-R573 IonicContact OE1-CZ 2.63Å; E571-R573 IonicContact OE1-NE 3.92Å; E571-R573 IonicContact OE1-NH1 2.82Å; E571-R573 PolarHBondContact OE1-NH1 3.39Å | |
| 574 | G | 30.5 | Very low | 27.9 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.9 | -74.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 575 | Y | 26.1 | Very low | 27.8 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -24.9 | -178.4 | -118.6 | -100.1 | 0 | 0 | 0 | 113.5 | D577 Q578 M579 | Y575-D577 PolarHBondContact O-N 2.88Å; Y575-Q578 PolarHBondContact O-N 3.32Å; Y575-Q578 VanDerWaalsContact O-N 3.15Å; Y575-M579 HydrophobicContact CD1-CE 3.81Å; Y575-M579 PolarHBondContact O-N 3.38Å |
| 576 | I | 29.3 | Very low | 27.6 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 36% | 0.364 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -73.5 | -26.5 | -174.5 | -67.5 | -177.9 | 0 | 0 | 0 | 112.2 | S572 Q578 M579 I580 | S572-I576 WeakPolarHBondContact O-CB 3.47Å; S572-I576 WeakPolarHBondContact O-CD1 3.45Å; S572-I576 VanDerWaalsContact O-CG1 3.32Å; S572-I576 WeakPolarHBondContact O-CG1 3.38Å; I576-Q578 PolarHBondContact O-N 2.75Å; I576-M579 CarbonylContact O-C 3.52Å; I576-M579 PolarHBondContact O-N 3.4Å; I576-M579 VanDerWaalsContact O-N 3.12Å; I576-I580 HydrophobicContact CG2-CD1 3.47Å; I576-I580 VanDerWaalsContact CG2-CD1 3.47Å; I576-I580 HydrophobicContact CG2-CG1 3.74Å; I576-I580 WeakPolarHBondContact O-CB 3.12Å; I576-I580 VanDerWaalsContact O-CG1 3.26Å; I576-I580 WeakPolarHBondContact O-CG1 3.4Å; I576-I580 PolarHBondContact O-N 3.26Å |
| 577 | D | 29.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.3 | -19.5 | 172.3 | -153.7 | 41.7 | 0 | 0 | 0 | 112.4 | Y575 | Y575-D577 PolarHBondContact O-N 2.88Å |
| 578 | Q | 28.1 | Very low | 27 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 60% | 0.603 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -92.4 | -17.5 | 172.4 | -158.3 | 164.4 | -17.9 | 0 | 0 | 112.7 | Y575 I576 | Y575-Q578 PolarHBondContact O-N 3.32Å; Y575-Q578 VanDerWaalsContact O-N 3.15Å; I576-Q578 PolarHBondContact O-N 2.75Å |
| 579 | M | 25.8 | Very low | 26.9 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 49% | 0.488 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -100 | 0.2 | 169.3 | -70.9 | -160.6 | -113.3 | 0 | 0 | 114.6 | Y575 I576 S582 | Y575-M579 HydrophobicContact CD1-CE 3.81Å; Y575-M579 PolarHBondContact O-N 3.38Å; I576-M579 CarbonylContact O-C 3.52Å; I576-M579 PolarHBondContact O-N 3.4Å; I576-M579 VanDerWaalsContact O-N 3.12Å; M579-S582 WeakPolarHBondContact CA-OG 3.41Å; M579-S582 WeakPolarHBondContact O-CB 3.48Å; M579-S582 PolarHBondContact O-N 3.45Å; M579-S582 PolarHBondContact O-OG 3.21Å |
| 580 | I | 29.2 | Very low | 26.6 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 53% | 0.533 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -92.3 | -14.9 | 177.8 | -86.6 | 178 | 0 | 0 | 0 | 113.4 | I576 S582 G583 | I576-I580 HydrophobicContact CG2-CD1 3.47Å; I576-I580 VanDerWaalsContact CG2-CD1 3.47Å; I576-I580 HydrophobicContact CG2-CG1 3.74Å; I576-I580 WeakPolarHBondContact O-CB 3.12Å; I576-I580 VanDerWaalsContact O-CG1 3.26Å; I576-I580 WeakPolarHBondContact O-CG1 3.4Å; I576-I580 PolarHBondContact O-N 3.26Å; I580-S582 PolarHBondContact O-N 3.05Å; I580-S582 VanDerWaalsContact O-N 3.17Å; I580-G583 PolarHBondContact O-N 3.2Å |
| 581 | R | 29.5 | Very low | 26.6 | Very low | 250 Ų | 250 | 123.6 Ų | 123.6 | 94% | 0.943 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -8 | 157.4 | -74.4 | -162.8 | -179.6 | -152.2 | 0.2 | 112.8 | ||
| 582 | S | 27.8 | Very low | 26.5 | Very low | 33 Ų | 33 | 123.7 Ų | 123.7 | 23% | 0.231 | 67% | 0.666 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | 23 | 176.2 | -24.2 | 0 | 0 | 0 | 0 | 113.4 | M579 I580 T584 Y597 | M579-S582 WeakPolarHBondContact CA-OG 3.41Å; M579-S582 WeakPolarHBondContact O-CB 3.48Å; M579-S582 PolarHBondContact O-N 3.45Å; M579-S582 PolarHBondContact O-OG 3.21Å; I580-S582 PolarHBondContact O-N 3.05Å; I580-S582 VanDerWaalsContact O-N 3.17Å; S582-T584 PolarHBondContact O-N 2.79Å; S582-T584 VanDerWaalsContact O-N 3.09Å; S582-Y597 WeakPolarHBondContact CB-OH 3.33Å; S582-Y597 WeakPolarHBondContact OG-CE1 3.3Å; S582-Y597 PolarHBondContact OG-OH 3.48Å |
| 583 | G | 25.4 | Very low | 26.3 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | trans | -59.2 | 108.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I580 | I580-G583 PolarHBondContact O-N 3.2Š| ||
| 584 | T | 23.6 | Very low | 26.2 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -67.7 | 125.9 | 153.4 | 48.2 | 0 | 0 | 0 | 0 | 110 | S582 | S582-T584 PolarHBondContact O-N 2.79Å; S582-T584 VanDerWaalsContact O-N 3.09Å | ||
| 585 | T | 24.9 | Very low | 26 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | 177 | 127.4 | 125.5 | 30.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 586 | I | 23.2 | Very low | 25.9 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | trans | 26.4 | 116.9 | 134.4 | -49.5 | 166.6 | 0 | 0 | 0 | 117.2 | ||||
| 587 | Y | 24.3 | Very low | 25.7 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 69% | 0.69 | 71% | 0.708 | S | S | * | * | -167.2 | 164.6 | 120 | -111.5 | -82 | 0 | 0 | 0 | 112.1 | L563 | L563-Y587 HydrophobicContact CD2-CG 4.5Š| |||
| 588 | Q | 24 | Very low | 25.4 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -60.3 | 139.9 | -162.1 | -63.1 | 154 | -39 | 0 | 0 | 116.7 | ||||
| 589 | G | 24.2 | Very low | 25.2 | Very low | 63 Ų | 63 | 132.5 Ų | 132.5 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 115.8 | 104.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | A591 | G589-A591 PolarHBondContact O-N 3.4Š|
| 590 | Q | 23.6 | Very low | 25.1 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 97% | 0.972 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 43 | 65.6 | 157.9 | -63.5 | -179.1 | -50.9 | 0 | 0 | 118.4 | ||
| 591 | A | 27.5 | Very low | 24.9 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -159.5 | 146.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G589 | G589-A591 PolarHBondContact O-N 3.4Š| ||
| 592 | V | 24.2 | Very low | 24.7 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | trans | -103.1 | 115 | 168 | 174.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 593 | M | 23.4 | Very low | 24.5 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 84% | 0.837 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 126.7 | 178.7 | -92.3 | -82.4 | -78.5 | 0 | 0 | 111.6 | ||
| 594 | V | 26 | Very low | 24.6 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 126.6 | 165.4 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | ||
| 595 | P | 25.2 | Very low | 24.7 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -76 | 132.3 | -178.3 | 29.5 | -33.4 | 0 | 0 | 0 | 112.1 | ||
| 596 | L | 24.9 | Very low | 24.8 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 142 | 172.2 | -93.6 | 159.8 | 0 | 0 | 0 | 111 | ||
| 597 | Y | 25 | Very low | 24.9 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 63% | 0.627 | 70% | 0.703 | S | S | * | * | trans | -131.3 | 153.6 | 164.6 | -94.2 | -87.4 | 0 | 0 | 0 | 110.8 | S582 | S582-Y597 WeakPolarHBondContact CB-OH 3.33Å; S582-Y597 WeakPolarHBondContact OG-CE1 3.3Å; S582-Y597 PolarHBondContact OG-OH 3.48Å | ||
| 598 | K | 22.6 | Very low | 24.9 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -79.3 | 139.5 | -163 | -150 | 176.5 | -171 | 178.5 | 0 | 112.2 | ||||
| 599 | C | 24.6 | Very low | 24.9 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 64% | 0.635 | 70% | 0.699 | S | S | * | * | trans | -135.8 | 122.9 | 174 | -133.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 600 | K | 23.3 | Very low | 24.9 | Very low | 182 Ų | 182 | 127.9 Ų | 127.9 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -97.9 | 140 | 157.2 | -84.1 | -173 | 169.5 | -170.8 | 0 | 106.9 | ||
| 601 | D | 24.7 | Very low | 24.9 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 59.9 | 53.1 | 164 | -45 | -34.8 | 0 | 0 | 0 | 117 | ||
| 602 | L | 25.4 | Very low | 24.9 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | trans | -133.5 | 131.7 | 168.8 | -90.2 | 92.3 | 0 | 0 | 0 | 112.9 | G604 | L602-G604 PolarHBondContact O-N 2.9Š| ||
| 603 | P | 25 | Very low | 25.5 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | trans | -66.4 | 117.4 | 177.7 | -19.4 | 32.4 | 0 | 0 | 0 | 112.1 | Y503 R605 | Y503-P603 PolarHBondContact OH-O 3.18Å; Y503-P603 VanDerWaalsContact OH-O 3.08Å; P603-R605 PolarHBondContact O-N 3.33Å; P603-R605 VanDerWaalsContact O-N 3.14Å | ||
| 604 | G | 27.1 | Very low | 26.4 | Very low | 52 Ų | 52 | 110.5 Ų | 110.5 | 54% | 0.536 | 59% | 0.594 | S | S | . | * | trans | -82.9 | 87.3 | -161.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y503 L602 T606 | Y503-G604 VanDerWaalsContact CD1-C 3.47Å; Y503-G604 WeakPolarHBondContact CD1-O 3.26Å; Y503-G604 WeakPolarHBondContact CE1-O 3.37Å; L602-G604 PolarHBondContact O-N 2.9Å; G604-T606 PolarHBondContact O-N 3.41Å; G604-T606 PolarHBondContact O-OG1 3.31Å | ||
| 605 | R | 25.3 | Very low | 27.2 | Very low | 84 Ų | 84 | 112.2 Ų | 112.2 | 32% | 0.317 | 60% | 0.6 | S | S | . | * | trans | -59.5 | 123.3 | 166.7 | -168.4 | -154.3 | -103.3 | -176.7 | 4.2 | 107.4 | Y503 K506 H507 P603 | Y503-R605 HydrophobicContact CD1-CB 4.23Å; Y503-R605 HydrophobicContact CD2-CB 4.13Å; Y503-R605 HydrophobicContact CD2-CG 4Å; Y503-R605 VanDerWaalsContact CE1-CA 3.48Å; Y503-R605 HydrophobicContact CE1-CB 4.05Å; Y503-R605 HydrophobicContact CE2-CB 3.93Å; Y503-R605 HydrophobicContact CE2-CG 4.09Å; Y503-R605 HydrophobicContact CG-CB 4.22Å; Y503-R605 HydrophobicContact CG-CG 4.32Å; K506-R605 HydrophobicContact CB-CG 4.43Å; K506-R605 WeakPolarHBondContact O-CD 3.45Å; K506-R605 PolarHBondContact O-NH1 2.89Å; K506-R605 VanDerWaalsContact O-NH1 3.13Å; H507-R605 WeakPolarHBondContact CD2-CD 3.35Å; H507-R605 VanDerWaalsContact CD2-CG 3.42Å; H507-R605 WeakPolarHBondContact CD2-CG 3.42Å; H507-R605 PolarHBondContact CD2-O 2.73Å; H507-R605 VanDerWaalsContact CG-CD 3.49Å; H507-R605 WeakPolarHBondContact ND1-CD 3.35Å; P603-R605 PolarHBondContact O-N 3.33Å; P603-R605 VanDerWaalsContact O-N 3.14Å | ||
| 606 | T | 27.4 | Very low | 28.3 | Very low | 87 Ų | 87 | 108.1 Ų | 108.1 | 53% | 0.534 | 58% | 0.578 | S | S | . | * | trans | -152.1 | 102.4 | -172.8 | -40 | 0 | 0 | 0 | 0 | 109.4 | Y503 A504 G604 | Y503-T606 CarbonylContact O-C 3.52Å; A504-T606 WeakPolarHBondContact CA-O 3.45Å; G604-T606 PolarHBondContact O-N 3.41Å; G604-T606 PolarHBondContact O-OG1 3.31Å | ||
| 607 | R | 24.5 | Very low | 29.3 | Very low | 145 Ų | 145 | 101.9 Ų | 101.9 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | 37.3 | 95.4 | 105.5 | -74 | -171.9 | 177.5 | 173.9 | -1 | 113.9 | H507 L609 | H507-R607 HydrophobicContact CB-CG 3.9Å; R607-L609 HydrophobicContact CB-CD1 3.95Å; R607-L609 HydrophobicContact CG-CD1 4.28Å; R607-L609 PolarHBondContact O-N 3.24Å | |||
| 608 | L | 24.1 | Very low | 30.6 | Very low | 151 Ų | 151 | 100.3 Ų | 100.3 | 79% | 0.791 | 54% | 0.543 | S | S | * | . | trans | -78.4 | 65.6 | 162.9 | -137.4 | 159.3 | 0 | 0 | 0 | 109.1 | A504 | A504-L608 HydrophobicContact CB-CB 4.28Å; A504-L608 HydrophobicContact CB-CD1 4.11Å | ||
| 609 | L | 24.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 97 Ų | 97 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | trans | -69.9 | 139.6 | 155 | -94.1 | 89.3 | 0 | 0 | 0 | 106.9 | R607 V611 | R607-L609 HydrophobicContact CB-CD1 3.95Å; R607-L609 HydrophobicContact CG-CD1 4.28Å; R607-L609 PolarHBondContact O-N 3.24Å; L609-V611 HydrophobicContact CB-CG2 4.47Å; L609-V611 PolarHBondContact O-N 3.01Å | ||
| 610 | S | 25 | Very low | 33.2 | Very low | 47 Ų | 47 | 92.6 Ų | 92.6 | 33% | 0.329 | 50% | 0.501 | S | S | . | . | trans | -67.3 | 84.5 | 165.1 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | T612 | S610-T612 PolarHBondContact O-N 2.7Š| ||
| 611 | V | 24 | Very low | 34.6 | Very low | 112 Ų | 112 | 84.1 Ų | 84.1 | 68% | 0.679 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 111.2 | 168.1 | 178.8 | 0 | 0 | 0 | 0 | 106.3 | L609 | L609-V611 HydrophobicContact CB-CG2 4.47Å; L609-V611 PolarHBondContact O-N 3.01Å |
| 612 | T | 26.7 | Very low | 36 | Very low | 47 Ų | 47 | 81.5 Ų | 81.5 | 29% | 0.288 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 43 | -171.9 | 80.8 | 0 | 0 | 0 | 0 | 118.2 | D229 S610 V614 | D229-T612 VanDerWaalsContact CG-OG1 3.27Å; D229-T612 WeakPolarHBondContact OD2-CB 3.47Å; D229-T612 VanDerWaalsContact OD2-CG2 3.28Å; D229-T612 WeakPolarHBondContact OD2-CG2 3.39Å; D229-T612 PolarHBondContact OD2-OG1 3.38Å; S610-T612 PolarHBondContact O-N 2.7Å; T612-V614 PolarHBondContact O-N 3.36Å |
| 613 | S | 36.9 | Very low | 36.9 | Very low | 60 Ų | 60 | 77.5 Ų | 77.5 | 42% | 0.42 | 43% | 0.43 | S | S | . | . | trans | -62.4 | 116 | 142.1 | 57.8 | 0 | 0 | 0 | 0 | 108.2 | D615 | S613-D615 PolarHBondContact O-N 2.93Š| ||
| 614 | V | 42.7 | Very low | 37.6 | Very low | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | trans | -74.7 | 126.1 | 179.8 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | L226 T612 G616 E619 A620 | L226-V614 HydrophobicContact CD1-CG2 3.35Å; L226-V614 HydrophobicContact CG-CG2 4.32Å; T612-V614 PolarHBondContact O-N 3.36Å; V614-G616 WeakPolarHBondContact CG1-O 3.34Å; V614-E619 HydrophobicContact CG1-CB 3.28Å; V614-E619 HydrophobicContact CG1-CG 4.37Å; V614-E619 WeakPolarHBondContact CG1-OE2 3.39Å; V614-A620 HydrophobicContact CB-CB 4.17Å; V614-A620 HydrophobicContact CG1-CB 4.21Å; V614-A620 HydrophobicContact CG2-CB 4.27Å | ||
| 615 | D | 42.7 | Very low | 38.7 | Very low | 150 Ų | 150 | 76 Ų | 76 | 80% | 0.802 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -70.2 | -32.2 | -173.8 | -72.1 | -36.6 | 0 | 0 | 0 | 112.5 | S613 | S613-D615 PolarHBondContact O-N 2.93Š|
| 616 | G | 46.8 | Very low | 39.6 | Very low | 25 Ų | 25 | 75.6 Ų | 75.6 | 26% | 0.258 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -126.1 | 139.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V614 K618 E619 | V614-G616 WeakPolarHBondContact CG1-O 3.34Å; G616-K618 PolarHBondContact O-N 3.25Å; G616-K618 VanDerWaalsContact O-N 3.09Å; G616-E619 PolarHBondContact O-N 3.31Å |
| 617 | P | 47.7 | Very low | 40.1 | Very low | 30 Ų | 30 | 73.5 Ų | 73.5 | 20% | 0.195 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.8 | -21.5 | -174 | -7.1 | 17.7 | 0 | 0 | 0 | 114.1 | I464 E467 E619 A620 V621 | I464-P617 HydrophobicContact CG1-CB 4.14Å; E467-P617 HydrophobicContact CB-CB 3.61Å; E467-P617 HydrophobicContact CB-CG 4.31Å; E467-P617 HydrophobicContact CG-CB 3.82Å; E467-P617 VanDerWaalsContact OE2-C 3.31Å; E467-P617 WeakPolarHBondContact OE2-CA 3.32Å; E467-P617 WeakPolarHBondContact OE2-CB 3.29Å; E467-P617 VanDerWaalsContact OE2-CD 3.23Å; E467-P617 WeakPolarHBondContact OE2-CD 3.32Å; E467-P617 VanDerWaalsContact OE2-CG 3.3Å; E467-P617 WeakPolarHBondContact OE2-CG 3.37Å; P617-E619 PolarHBondContact O-N 3.38Å; P617-A620 WeakPolarHBondContact O-CB 3.36Å; P617-A620 PolarHBondContact O-N 3.47Å; P617-V621 PolarHBondContact O-N 3.09Å |
| 618 | K | 50.8 | Low | 40.9 | Very low | 127 Ų | 127 | 71.7 Ų | 71.7 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -51.5 | -52.7 | 172.6 | -69.9 | -170.9 | 178.3 | 178.7 | 0 | 113.6 | E467 K471 G616 A620 V621 D622 | E467-K618 HydrophobicContact CG-CG 4.22Å; E467-K618 WeakPolarHBondContact OE1-CE 3.29Å; E467-K618 WeakPolarHBondContact OE1-CG 3.48Å; E467-K618 WeakPolarHBondContact OE2-CG 3.38Å; E467-K618 PolarHBondContact OE2-N 2.97Å; K471-K618 PolarHBondContact NZ-O 3.46Å; K471-K618 VanDerWaalsContact NZ-O 3.11Å; G616-K618 PolarHBondContact O-N 3.25Å; G616-K618 VanDerWaalsContact O-N 3.09Å; K618-A620 PolarHBondContact O-N 3.26Å; K618-V621 WeakPolarHBondContact O-CB 3.34Å; K618-V621 PolarHBondContact O-N 2.73Å; K618-D622 PolarHBondContact O-N 3.39Å; K618-D622 VanDerWaalsContact O-N 3.17Å; K618-D622 VanDerWaalsContact O-OD2 3.11Å |
| 619 | E | 56.9 | Low | 41.4 | Very low | 116 Ų | 116 | 71.1 Ų | 71.1 | 54% | 0.542 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.1 | -32.7 | -178.4 | -76 | 171.3 | 169 | 0 | 0 | 110.9 | V614 G616 P617 V621 D622 L623 | V614-E619 HydrophobicContact CG1-CB 3.28Å; V614-E619 HydrophobicContact CG1-CG 4.37Å; V614-E619 WeakPolarHBondContact CG1-OE2 3.39Å; G616-E619 PolarHBondContact O-N 3.31Å; P617-E619 PolarHBondContact O-N 3.38Å; E619-V621 VanDerWaalsContact C-N 3.34Å; E619-V621 PolarHBondContact O-N 3.27Å; E619-D622 PolarHBondContact O-N 3.22Å; E619-L623 PolarHBondContact O-N 3.34Å; E619-L623 VanDerWaalsContact O-N 3.08Å |
| 620 | A | 46.2 | Very low | 41.7 | Very low | 2 Ų | 2 | 73.2 Ų | 73.2 | 2% | 0.017 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L226 V614 P617 K618 L624 | L226-A620 HydrophobicContact CD1-CB 4.08Å; L226-A620 HydrophobicContact CD2-CB 4.19Å; V614-A620 HydrophobicContact CB-CB 4.17Å; V614-A620 HydrophobicContact CG1-CB 4.21Å; V614-A620 HydrophobicContact CG2-CB 4.27Å; P617-A620 WeakPolarHBondContact O-CB 3.36Å; P617-A620 PolarHBondContact O-N 3.47Å; K618-A620 PolarHBondContact O-N 3.26Å; A620-L624 WeakPolarHBondContact O-CD1 3.22Å; A620-L624 WeakPolarHBondContact O-CG 3.4Å; A620-L624 PolarHBondContact O-N 3.47Å |
| 621 | V | 52.9 | Low | 42 | Very low | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.03 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 173.1 | 176 | 0 | 0 | 0 | 0 | 112 | E467 L468 K471 M473 P617 K618 E619 L623 L624 | E467-V621 HydrophobicContact CG-CG2 4.38Å; L468-V621 HydrophobicContact CD2-CB 4.45Å; L468-V621 HydrophobicContact CD2-CG1 4.4Å; L468-V621 HydrophobicContact CD2-CG2 3.55Å; L468-V621 HydrophobicContact CG-CG2 4.04Å; K471-V621 HydrophobicContact CD-CB 3.9Å; K471-V621 HydrophobicContact CD-CG1 3.45Å; K471-V621 VanDerWaalsContact CD-CG1 3.45Å; K471-V621 HydrophobicContact CD-CG2 4.18Å; M473-V621 HydrophobicContact CE-CB 4.5Å; M473-V621 HydrophobicContact CE-CG1 3.36Å; M473-V621 HydrophobicContact CE-CG2 4.42Å; P617-V621 PolarHBondContact O-N 3.09Å; K618-V621 WeakPolarHBondContact O-CB 3.34Å; K618-V621 PolarHBondContact O-N 2.73Å; E619-V621 VanDerWaalsContact C-N 3.34Å; E619-V621 PolarHBondContact O-N 3.27Å; V621-L623 VanDerWaalsContact C-N 3.27Å; V621-L623 PolarHBondContact O-N 3.07Å; V621-L624 PolarHBondContact O-N 3.27Å |
| 622 | D | 53 | Low | 42.2 | Very low | 99 Ų | 99 | 77 Ų | 77 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.7 | -28.4 | -172.6 | -63 | -35.4 | 0 | 0 | 0 | 111.7 | K471 K618 E619 | K471-D622 IonicContact NZ-OD1 2.66Å; K471-D622 PolarHBondContact NZ-OD1 2.98Å; K471-D622 IonicContact NZ-OD2 2.79Å; K471-D622 PolarHBondContact NZ-OD2 2.98Å; K618-D622 PolarHBondContact O-N 3.39Å; K618-D622 VanDerWaalsContact O-N 3.17Å; K618-D622 VanDerWaalsContact O-OD2 3.11Å; E619-D622 PolarHBondContact O-N 3.22Å |
| 623 | L | 44.4 | Very low | 42.5 | Very low | 45 Ų | 45 | 79.9 Ų | 79.9 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69 | -41.7 | 171.1 | -124 | 80.5 | 0 | 0 | 0 | 113.2 | L226 D229 E619 V621 V625 S626 | L226-L623 HydrophobicContact CB-CD2 4.41Å; L226-L623 HydrophobicContact CD1-CB 4Å; L226-L623 HydrophobicContact CD1-CD2 3.85Å; D229-L623 HydrophobicContact CB-CD2 4.48Å; D229-L623 VanDerWaalsContact OD2-CD2 3.24Å; D229-L623 WeakPolarHBondContact OD2-CD2 3.14Å; E619-L623 PolarHBondContact O-N 3.34Å; E619-L623 VanDerWaalsContact O-N 3.08Å; V621-L623 VanDerWaalsContact C-N 3.27Å; V621-L623 PolarHBondContact O-N 3.07Å; L623-V625 VanDerWaalsContact C-N 3.28Å; L623-V625 PolarHBondContact O-N 3.38Å; L623-S626 PolarHBondContact O-N 2.95Å; L623-S626 PolarHBondContact O-OG 3.05Å |
| 624 | L | 40.6 | Very low | 42.2 | Very low | 27 Ų | 27 | 78.8 Ų | 78.8 | 14% | 0.141 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.9 | -32.3 | -175.4 | -83.8 | 163.6 | 0 | 0 | 0 | 113.4 | L226 P227 F289 A620 V621 S626 | L226-L624 HydrophobicContact CD2-CD1 4.36Å; L226-L624 HydrophobicContact CD2-CD2 4.49Å; L226-L624 HydrophobicContact CD2-CG 4.2Å; P227-L624 HydrophobicContact CG-CD2 3.83Å; F289-L624 HydrophobicContact CB-CD1 4.46Å; A620-L624 WeakPolarHBondContact O-CD1 3.22Å; A620-L624 WeakPolarHBondContact O-CG 3.4Å; A620-L624 PolarHBondContact O-N 3.47Å; V621-L624 PolarHBondContact O-N 3.27Å; L624-S626 VanDerWaalsContact C-N 3.27Å; L624-S626 PolarHBondContact O-N 3.37Å |
| 625 | V | 49.3 | Very low | 41.7 | Very low | 101 Ų | 101 | 83.2 Ų | 83.2 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.9 | -178.9 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | L623 | L623-V625 VanDerWaalsContact C-N 3.28Å; L623-V625 PolarHBondContact O-N 3.38Å |
| 626 | S | 43.9 | Very low | 41.3 | Very low | 77 Ų | 77 | 83 Ų | 83 | 54% | 0.538 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -12.6 | -161.9 | 66.2 | 0 | 0 | 0 | 0 | 117.4 | L623 L624 | L623-S626 PolarHBondContact O-N 2.95Å; L623-S626 PolarHBondContact O-OG 3.05Å; L624-S626 VanDerWaalsContact C-N 3.27Å; L624-S626 PolarHBondContact O-N 3.37Å |
| 627 | K | 38.9 | Very low | 40.4 | Very low | 42 Ų | 42 | 86.5 Ų | 86.5 | 18% | 0.183 | 46% | 0.461 | C | S | . | . | trans | -129.9 | 41.8 | -162 | -64.3 | 137.3 | -179.6 | -165.6 | 0 | 115.3 | P227 N228 D229 N629 | P227-K627 VanDerWaalsContact O-CD 3.3Å; P227-K627 WeakPolarHBondContact O-CD 3.37Å; P227-K627 PolarHBondContact O-NZ 3.01Å; N228-K627 VanDerWaalsContact C-NZ 3.27Å; N228-K627 HydrophobicContact CB-CB 4.09Å; N228-K627 HydrophobicContact CB-CD 3.97Å; N228-K627 HydrophobicContact CB-CG 4.19Å; N228-K627 WeakPolarHBondContact O-CD 3.25Å; N228-K627 WeakPolarHBondContact O-CE 3.36Å; N228-K627 PolarHBondContact O-NZ 2.88Å; D229-K627 VanDerWaalsContact CA-NZ 3.34Å; K627-N629 VanDerWaalsContact C-N 3.3Å; K627-N629 PolarHBondContact O-N 2.89Å | ||
| 628 | I | 39.9 | Very low | 39.8 | Very low | 108 Ų | 108 | 86.9 Ų | 86.9 | 55% | 0.554 | 47% | 0.471 | S | S | * | . | trans | -80.4 | -3.7 | -173.3 | -71.8 | 172.7 | 0 | 0 | 0 | 113.7 | K291 | K291-I628 HydrophobicContact CD-CD1 4.43Š| ||
| 629 | N | 35.2 | Very low | 39 | Very low | 139 Ų | 139 | 89.7 Ų | 89.7 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -125.1 | 137.4 | -174.1 | -61.9 | -13.9 | 0 | 0 | 0 | 114 | K627 | K627-N629 VanDerWaalsContact C-N 3.3Å; K627-N629 PolarHBondContact O-N 2.89Å |
| 630 | D | 31.9 | Very low | 38.2 | Very low | 160 Ų | 160 | 89.9 Ų | 89.9 | 86% | 0.856 | 48% | 0.48 | S | S | * | . | trans | 83.7 | 128.9 | 168.2 | -60.8 | -26.5 | 0 | 0 | 0 | 121.2 | ||||
| 631 | E | 30.1 | Very low | 38 | Very low | 125 Ų | 125 | 96.4 Ų | 96.4 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | trans | -147.7 | 170.7 | -176.4 | -67.9 | -173.3 | 147.1 | 0 | 0 | 113.9 | P306 | P306-E631 WeakPolarHBondContact CB-OE1 3.5Å; P306-E631 VanDerWaalsContact CG-OE1 3.3Å; P306-E631 WeakPolarHBondContact CG-OE1 3.31Å | ||
| 632 | N | 29.2 | Very low | 37.4 | Very low | 113 Ų | 113 | 103.1 Ų | 103.1 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | trans | 104.3 | 150.7 | 140.9 | -67.7 | -44.6 | 0 | 0 | 0 | 126.3 | P494 | P494-N632 WeakPolarHBondContact CG-O 3.27Š| ||
| 633 | V | 31.7 | Very low | 36.7 | Very low | 109 Ų | 109 | 105.4 Ų | 105.4 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | trans | 116.4 | 178.9 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 115.6 | G493 P494 | G493-V633 CarbonylContact C-O 3.46Å; G493-V633 WeakPolarHBondContact CA-O 3.43Å; P494-V633 VanDerWaalsContact CA-O 3.3Å; P494-V633 WeakPolarHBondContact CA-O 3.48Å; P494-V633 VanDerWaalsContact CB-C 3.43Å; P494-V633 HydrophobicContact CB-CB 3.97Å; P494-V633 HydrophobicContact CB-CG1 4.43Å; P494-V633 WeakPolarHBondContact CB-O 3.45Å; P494-V633 WeakPolarHBondContact CD-O 3.3Å; P494-V633 HydrophobicContact CG-CB 4.35Å | ||
| 634 | E | 31 | Very low | 36.6 | Very low | 36 Ų | 36 | 109.5 Ų | 109.5 | 17% | 0.168 | 57% | 0.567 | C | S | . | * | trans | 176.9 | 178.3 | 156 | -152.7 | -159.5 | 98 | 0 | 0 | 113.7 | S491 T492 G493 Q636 | S491-E634 VanDerWaalsContact C-CD 3.5Å; S491-E634 WeakPolarHBondContact CA-OE2 3.44Å; T492-E634 VanDerWaalsContact C-CB 3.45Å; T492-E634 VanDerWaalsContact CA-OE2 3.29Å; T492-E634 WeakPolarHBondContact CA-OE2 3.5Å; T492-E634 PolarHBondContact N-OE2 3.3Å; G493-E634 PolarHBondContact N-OE2 3.41Å; G493-E634 VanDerWaalsContact O-CG 3.23Å; G493-E634 WeakPolarHBondContact O-CG 3.31Å; E634-Q636 PolarHBondContact OE1-N 3.04Å; E634-Q636 VanDerWaalsContact OE1-N 3.14Å | ||
| 635 | D | 32.6 | Very low | 36.5 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 60% | 0.599 | 60% | 0.595 | S | S | * | * | -169.5 | 142.6 | 123.6 | -106.6 | -33.8 | 0 | 0 | 0 | 120.3 | |||||
| 636 | Q | 33.4 | Very low | 36.1 | Very low | 144 Ų | 144 | 118 Ų | 118 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | trans | 40.5 | 122.4 | 132 | -69.6 | 171.2 | 47.7 | 0 | 0 | 125.6 | E634 | E634-Q636 PolarHBondContact OE1-N 3.04Å; E634-Q636 VanDerWaalsContact OE1-N 3.14Å | ||
| 637 | C | 28.4 | Very low | 36 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 67% | 0.669 | 60% | 0.596 | S | S | * | * | trans | -156 | 43.4 | 155 | -164.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 638 | G | 35.1 | Very low | 36.3 | Very low | 39 Ų | 39 | 120 Ų | 120 | 40% | 0.402 | 60% | 0.604 | S | S | . | * | trans | -98.1 | -9.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 639 | Y | 34.7 | Very low | 36.7 | Very low | 186 Ų | 186 | 119.8 Ų | 119.8 | 73% | 0.729 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -84.5 | -50 | -154.9 | -161.9 | -101 | 0 | 0 | 0 | 115.9 | I641 K642 | Y639-I641 PolarHBondContact O-N 3.31Å; Y639-K642 VanDerWaalsContact O-CB 3.22Å; Y639-K642 WeakPolarHBondContact O-CB 3.49Å; Y639-K642 PolarHBondContact O-N 3.49Å |
| 640 | E | 39.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 119 Ų | 119 | 56% | 0.561 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.4 | -31.4 | -168 | -79.2 | -59.9 | 120.4 | 0 | 0 | 114.7 | K642 K643 | E640-K642 PolarHBondContact O-N 2.99Å; E640-K643 PolarHBondContact O-N 2.82Å |
| 641 | I | 42.2 | Very low | 38.7 | Very low | 139 Ų | 139 | 113 Ų | 113 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.5 | -30.9 | 176.6 | -60.8 | 176.7 | 0 | 0 | 0 | 111.1 | Y639 K643 R645 | Y639-I641 PolarHBondContact O-N 3.31Å; I641-K643 VanDerWaalsContact C-N 3.34Å; I641-K643 PolarHBondContact O-N 3.04Å; I641-R645 PolarHBondContact O-N 3.29Å |
| 642 | K | 40.1 | Very low | 40.4 | Very low | 146 Ų | 146 | 108.6 Ų | 108.6 | 64% | 0.635 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.4 | -35.5 | -177.9 | -148.9 | 168.9 | -175.4 | 173.8 | 0 | 111.7 | Y639 E640 | Y639-K642 VanDerWaalsContact O-CB 3.22Å; Y639-K642 WeakPolarHBondContact O-CB 3.49Å; Y639-K642 PolarHBondContact O-N 3.49Å; E640-K642 PolarHBondContact O-N 2.99Å |
| 643 | K | 38.6 | Very low | 42.5 | Very low | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.635 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.7 | -39.5 | -178.4 | -165.8 | 172.9 | -177.7 | 177.3 | 0 | 112.6 | E640 I641 | E640-K643 PolarHBondContact O-N 2.82Å; I641-K643 VanDerWaalsContact C-N 3.34Å; I641-K643 PolarHBondContact O-N 3.04Å |
| 644 | M | 41.6 | Very low | 44.8 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.2 | -28.5 | -179.8 | -150.4 | 175.9 | -66.3 | 0 | 0 | 112.7 | I646 S647 | M644-I646 VanDerWaalsContact C-N 3.32Å; M644-I646 PolarHBondContact O-N 3.09Å; M644-S647 PolarHBondContact O-OG 3.43Å |
| 645 | R | 39.7 | Very low | 47.2 | Very low | 191 Ų | 191 | 107.8 Ų | 107.8 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.4 | -30.2 | -179.4 | -145.6 | 177.2 | -162.4 | -170.4 | 4.9 | 113.3 | I641 | I641-R645 PolarHBondContact O-N 3.29Å |
| 646 | I | 40.9 | Very low | 49.7 | Very low | 117 Ų | 117 | 103.1 Ų | 103.1 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.5 | -39.8 | -173.1 | -64.1 | 169 | 0 | 0 | 0 | 112.2 | M644 F648 I649 | M644-I646 VanDerWaalsContact C-N 3.32Å; M644-I646 PolarHBondContact O-N 3.09Å; I646-F648 VanDerWaalsContact C-N 3.3Å; I646-F648 PolarHBondContact O-N 2.93Å; I646-I649 PolarHBondContact O-N 3.33Å |
| 647 | S | 41.9 | Very low | 52.2 | Low | 84 Ų | 84 | 100.5 Ų | 100.5 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.7 | -33.2 | 178.5 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | M644 I649 S651 | M644-S647 PolarHBondContact O-OG 3.43Å; S647-I649 PolarHBondContact O-N 2.94Å; S647-S651 PolarHBondContact O-N 3.37Å |
| 648 | F | 44.2 | Very low | 55.2 | Low | 77 Ų | 77 | 97.3 Ų | 97.3 | 34% | 0.338 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -32.9 | -177.8 | -163.9 | -100.9 | 0 | 0 | 0 | 113 | H275 I646 N650 S651 K652 L839 | H275-F648 AromaticContact CE1-CE1 3.64Å; H275-F648 AromaticContact NE2-CE1 3.6Å; I646-F648 VanDerWaalsContact C-N 3.3Å; I646-F648 PolarHBondContact O-N 2.93Å; F648-N650 PolarHBondContact O-N 3.5Å; F648-S651 PolarHBondContact O-N 3.03Å; F648-S651 VanDerWaalsContact O-N 3.16Å; F648-S651 PolarHBondContact O-OG 2.75Å; F648-K652 HydrophobicContact CE1-CG 4.36Å; F648-K652 PolarHBondContact O-N 3.4Å; F648-L839 HydrophobicContact CE2-CD1 4.12Å; F648-L839 HydrophobicContact CE2-CD2 4.42Å |
| 649 | I | 47.9 | Very low | 57.8 | Low | 102 Ų | 102 | 95.4 Ų | 95.4 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | -179.5 | -67.9 | 167.4 | 0 | 0 | 0 | 111.1 | I646 S647 S651 K652 | I646-I649 PolarHBondContact O-N 3.33Å; S647-I649 PolarHBondContact O-N 2.94Å; I649-S651 VanDerWaalsContact C-N 3.3Å; I649-S651 PolarHBondContact O-N 3.03Å; I649-K652 PolarHBondContact O-N 2.92Å |
| 650 | N | 52.8 | Low | 60.5 | Low | 122 Ų | 122 | 86.9 Ų | 86.9 | 65% | 0.652 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.7 | -33.5 | 174.9 | -78.2 | -9.8 | 0 | 0 | 0 | 112.4 | F648 K652 N653 | F648-N650 PolarHBondContact O-N 3.5Å; N650-K652 VanDerWaalsContact C-N 3.33Å; N650-K652 PolarHBondContact O-N 2.63Å; N650-N653 PolarHBondContact O-N 3.5Å |
| 651 | S | 58 | Low | 63 | Low | 35 Ų | 35 | 84.8 Ų | 84.8 | 25% | 0.245 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.1 | -28.8 | 178.6 | 79.3 | 0 | 0 | 0 | 0 | 114 | S647 F648 I649 I654 L655 | S647-S651 PolarHBondContact O-N 3.37Å; F648-S651 PolarHBondContact O-N 3.03Å; F648-S651 VanDerWaalsContact O-N 3.16Å; F648-S651 PolarHBondContact O-OG 2.75Å; I649-S651 VanDerWaalsContact C-N 3.3Å; I649-S651 PolarHBondContact O-N 3.03Å; S651-I654 WeakPolarHBondContact O-CG2 3.46Å; S651-L655 WeakPolarHBondContact O-CB 3.23Å; S651-L655 VanDerWaalsContact O-CG 3.31Å; S651-L655 WeakPolarHBondContact O-CG 3.41Å; S651-L655 PolarHBondContact O-N 3.28Å; S651-L655 VanDerWaalsContact O-N 3.11Å |
| 652 | K | 65.7 | Low | 65.4 | Low | 32 Ų | 32 | 78.4 Ų | 78.4 | 14% | 0.139 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.2 | -79.6 | -180 | 165.8 | -88.7 | 0 | 112.5 | H275 F648 I649 N650 L655 F656 I773 M774 | H275-K652 PolarHBondContact CD2-NZ 3.47Å; H275-K652 WeakPolarHBondContact CE1-CE 3.09Å; H275-K652 WeakPolarHBondContact NE2-CE 3.19Å; H275-K652 PolarHBondContact NE2-NZ 2.83Å; F648-K652 HydrophobicContact CE1-CG 4.36Å; F648-K652 PolarHBondContact O-N 3.4Å; I649-K652 PolarHBondContact O-N 2.92Å; N650-K652 VanDerWaalsContact C-N 3.33Å; N650-K652 PolarHBondContact O-N 2.63Å; K652-L655 PolarHBondContact O-N 3.13Å; K652-F656 WeakPolarHBondContact O-CB 3.31Å; K652-F656 PolarHBondContact O-N 3.25Å; K652-I773 PolarHBondContact NZ-O 3.15Å; K652-M774 PolarHBondContact NZ-O 3.17Å |
| 653 | N | 71.6 | Confident | 67.9 | Low | 101 Ų | 101 | 71.6 Ų | 71.6 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | -176.3 | -67.9 | -16.3 | 0 | 0 | 0 | 111.6 | N650 F656 L657 | N650-N653 PolarHBondContact O-N 3.5Å; N653-F656 PolarHBondContact O-N 2.85Å; N653-L657 WeakPolarHBondContact O-CB 3.38Å; N653-L657 PolarHBondContact O-N 3.18Å |
| 654 | I | 80.2 | Confident | 70.5 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 61% | 0.605 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -73.9 | -33.9 | 178.4 | -159.9 | 168.2 | 0 | 0 | 0 | 112.6 | S651 S658 | S651-I654 WeakPolarHBondContact O-CG2 3.46Å; I654-S658 WeakPolarHBondContact O-CB 3.23Å; I654-S658 PolarHBondContact O-N 3.13Å; I654-S658 PolarHBondContact O-OG 3.47Å |
| 655 | L | 82.3 | Confident | 73 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 169.5 | -75.4 | 170.7 | 0 | 0 | 0 | 110.8 | S651 K652 L657 S658 F659 I773 H832 I835 | S651-L655 WeakPolarHBondContact O-CB 3.23Å; S651-L655 VanDerWaalsContact O-CG 3.31Å; S651-L655 WeakPolarHBondContact O-CG 3.41Å; S651-L655 PolarHBondContact O-N 3.28Å; S651-L655 VanDerWaalsContact O-N 3.11Å; K652-L655 PolarHBondContact O-N 3.13Å; L655-L657 PolarHBondContact O-N 2.91Å; L655-S658 WeakPolarHBondContact CA-OG 3.47Å; L655-S658 PolarHBondContact O-N 3.04Å; L655-S658 PolarHBondContact O-OG 3.4Å; L655-F659 PolarHBondContact O-N 2.91Å; L655-I773 HydrophobicContact CB-CG2 4.13Å; L655-H832 PolarHBondContact O-CE1 3.11Å; L655-H832 PolarHBondContact O-NE2 3.09Å; L655-I835 HydrophobicContact CD1-CG2 4.43Å; L655-I835 HydrophobicContact CD2-CD1 3.87Å; L655-I835 HydrophobicContact CD2-CG2 4.4Å |
| 656 | F | 85.1 | Confident | 75.6 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 178.2 | -174.8 | -116.9 | 0 | 0 | 0 | 112.4 | K652 N653 S658 F659 L660 V770 I773 M774 M785 | K652-F656 WeakPolarHBondContact O-CB 3.31Å; K652-F656 PolarHBondContact O-N 3.25Å; N653-F656 PolarHBondContact O-N 2.85Å; F656-S658 PolarHBondContact O-N 3.08Å; F656-F659 WeakPolarHBondContact O-CB 3.39Å; F656-F659 PolarHBondContact O-N 3.14Å; F656-L660 HydrophobicContact CD1-CD1 4.02Å; F656-L660 HydrophobicContact CD1-CG 4.5Å; F656-L660 HydrophobicContact CE1-CD1 3.6Å; F656-L660 HydrophobicContact CE1-CD2 4.44Å; F656-L660 HydrophobicContact CE1-CG 4.14Å; F656-L660 HydrophobicContact CE2-CD2 4.24Å; F656-L660 HydrophobicContact CE2-CG 4.33Å; F656-L660 HydrophobicContact CZ-CD1 3.94Å; F656-L660 HydrophobicContact CZ-CD2 3.91Å; F656-L660 HydrophobicContact CZ-CG 4.04Å; F656-L660 WeakPolarHBondContact O-CG 3.31Å; F656-L660 PolarHBondContact O-N 3.2Å; F656-V770 HydrophobicContact CD2-CG1 4.47Å; F656-V770 HydrophobicContact CD2-CG2 4.39Å; F656-V770 HydrophobicContact CE2-CG1 3.82Å; F656-V770 HydrophobicContact CE2-CG2 3.97Å; F656-I773 HydrophobicContact CB-CG2 3.99Å; F656-I773 HydrophobicContact CD2-CG2 4.47Å; F656-M774 HydrophobicContact CB-CG 4.42Å; F656-M774 HydrophobicContact CB-SD 3.61Å; F656-M774 HydrophobicContact CD1-CE 4.39Å; F656-M774 HydrophobicContact CD1-SD 3.84Å; F656-M774 HydrophobicContact CD2-CG 3.59Å; F656-M774 HydrophobicContact CD2-SD 3.81Å; F656-M774 HydrophobicContact CE1-SD 4.49Å; F656-M774 HydrophobicContact CE2-CG 3.96Å; F656-M774 HydrophobicContact CE2-SD 4.49Å; F656-M774 HydrophobicContact CG-CG 3.92Å; F656-M774 HydrophobicContact CG-SD 3.46Å; F656-M774 WeakPolarHBondContact CG-SD 3.28Å; F656-M785 HydrophobicContact CE1-CB 4.32Å; F656-M785 HydrophobicContact CE1-SD 3.84Å; F656-M785 HydrophobicContact CZ-CB 4.07Å; F656-M785 HydrophobicContact CZ-SD 4.39Å |
| 657 | L | 86.8 | Confident | 78.1 | Confident | 88 Ų | 88 | 46.2 Ų | 46.2 | 46% | 0.461 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.6 | -178.9 | 61.5 | 0 | 0 | 0 | 112.5 | N653 L655 F659 L660 I661 | N653-L657 WeakPolarHBondContact O-CB 3.38Å; N653-L657 PolarHBondContact O-N 3.18Å; L655-L657 PolarHBondContact O-N 2.91Å; L657-F659 VanDerWaalsContact C-N 3.33Å; L657-F659 PolarHBondContact O-N 3.4Å; L657-L660 WeakPolarHBondContact O-CB 3.47Å; L657-L660 PolarHBondContact O-N 3.39Å; L657-I661 HydrophobicContact CG-CD1 4.27Å; L657-I661 WeakPolarHBondContact O-CG1 3.43Å; L657-I661 PolarHBondContact O-N 2.91Å |
| 658 | S | 89.9 | Confident | 80.5 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | 175.6 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | I654 L655 F656 I661 N662 I828 H832 | I654-S658 WeakPolarHBondContact O-CB 3.23Å; I654-S658 PolarHBondContact O-N 3.13Å; I654-S658 PolarHBondContact O-OG 3.47Å; L655-S658 WeakPolarHBondContact CA-OG 3.47Å; L655-S658 PolarHBondContact O-N 3.04Å; L655-S658 PolarHBondContact O-OG 3.4Å; F656-S658 PolarHBondContact O-N 3.08Å; S658-I661 PolarHBondContact O-N 3.46Å; S658-N662 WeakPolarHBondContact O-CB 3.34Å; S658-N662 PolarHBondContact O-N 2.8Å; S658-I828 WeakPolarHBondContact O-CG2 3.39Å; S658-H832 PolarHBondContact OG-NE2 2.88Å |
| 659 | F | 90.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 170.4 | -172.5 | -94.1 | 0 | 0 | 0 | 112.4 | L655 F656 L657 N662 R663 M769 V770 I773 I786 I829 | L655-F659 PolarHBondContact O-N 2.91Å; F656-F659 WeakPolarHBondContact O-CB 3.39Å; F656-F659 PolarHBondContact O-N 3.14Å; L657-F659 VanDerWaalsContact C-N 3.33Å; L657-F659 PolarHBondContact O-N 3.4Å; F659-N662 WeakPolarHBondContact O-CB 3.01Å; F659-N662 PolarHBondContact O-N 3.42Å; F659-R663 HydrophobicContact CD1-CG 4.11Å; F659-R663 HydrophobicContact CE1-CG 3.65Å; F659-R663 HydrophobicContact CZ-CG 4.16Å; F659-R663 PolarHBondContact O-N 3.07Å; F659-M769 HydrophobicContact CE2-CB 3.84Å; F659-M769 HydrophobicContact CE2-CE 3.85Å; F659-M769 HydrophobicContact CE2-SD 4.04Å; F659-M769 HydrophobicContact CZ-CB 4.11Å; F659-M769 HydrophobicContact CZ-CE 4.16Å; F659-V770 HydrophobicContact CD1-CG2 3.45Å; F659-V770 VanDerWaalsContact CD1-CG2 3.45Å; F659-V770 HydrophobicContact CE1-CG2 3.32Å; F659-V770 HydrophobicContact CG-CG2 4.31Å; F659-V770 HydrophobicContact CZ-CG2 4.08Å; F659-I773 HydrophobicContact CB-CD1 4Å; F659-I773 HydrophobicContact CD2-CD1 3.89Å; F659-I773 HydrophobicContact CG-CD1 3.97Å; F659-I786 HydrophobicContact CE1-CD1 4.44Å; F659-I786 HydrophobicContact CE1-CG1 4.3Å; F659-I829 HydrophobicContact CD2-CD1 3.85Å; F659-I829 HydrophobicContact CE2-CD1 3.99Å |
| 660 | L | 91.1 | Very high | 85 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.5 | -68.7 | 176.5 | 0 | 0 | 0 | 112 | F656 L657 N662 R663 S664 M785 I786 F789 | F656-L660 HydrophobicContact CD1-CD1 4.02Å; F656-L660 HydrophobicContact CD1-CG 4.5Å; F656-L660 HydrophobicContact CE1-CD1 3.6Å; F656-L660 HydrophobicContact CE1-CD2 4.44Å; F656-L660 HydrophobicContact CE1-CG 4.14Å; F656-L660 HydrophobicContact CE2-CD2 4.24Å; F656-L660 HydrophobicContact CE2-CG 4.33Å; F656-L660 HydrophobicContact CZ-CD1 3.94Å; F656-L660 HydrophobicContact CZ-CD2 3.91Å; F656-L660 HydrophobicContact CZ-CG 4.04Å; F656-L660 WeakPolarHBondContact O-CG 3.31Å; F656-L660 PolarHBondContact O-N 3.2Å; L657-L660 WeakPolarHBondContact O-CB 3.47Å; L657-L660 PolarHBondContact O-N 3.39Å; L660-N662 VanDerWaalsContact C-N 3.3Å; L660-N662 PolarHBondContact O-N 2.86Å; L660-R663 PolarHBondContact O-N 3.46Å; L660-S664 PolarHBondContact O-N 3.14Å; L660-M785 HydrophobicContact CD1-CB 4.33Å; L660-M785 HydrophobicContact CD2-CB 4.18Å; L660-I786 HydrophobicContact CD2-CG1 4.27Å; L660-F789 HydrophobicContact CB-CB 4.18Å; L660-F789 HydrophobicContact CB-CD1 3.75Å; L660-F789 HydrophobicContact CB-CD2 4.08Å; L660-F789 HydrophobicContact CB-CE1 4.12Å; L660-F789 HydrophobicContact CB-CE2 4.43Å; L660-F789 HydrophobicContact CB-CG 3.73Å; L660-F789 HydrophobicContact CB-CZ 4.45Å; L660-F789 HydrophobicContact CD1-CD2 3.93Å; L660-F789 HydrophobicContact CD1-CE2 3.86Å; L660-F789 HydrophobicContact CD1-CG 4.44Å; L660-F789 HydrophobicContact CD1-CZ 4.3Å; L660-F789 HydrophobicContact CD2-CB 4.22Å; L660-F789 HydrophobicContact CD2-CD2 4.11Å; L660-F789 HydrophobicContact CD2-CG 4.23Å; L660-F789 HydrophobicContact CG-CD2 4.27Å; L660-F789 HydrophobicContact CG-CG 4.36Å |
| 661 | I | 92.4 | Very high | 87 | Confident | 75 Ų | 75 | 29.2 Ų | 29.2 | 39% | 0.385 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 174.6 | -67.4 | 165.3 | 0 | 0 | 0 | 110.9 | L657 S658 R663 S664 L665 I828 | L657-I661 HydrophobicContact CG-CD1 4.27Å; L657-I661 WeakPolarHBondContact O-CG1 3.43Å; L657-I661 PolarHBondContact O-N 2.91Å; S658-I661 PolarHBondContact O-N 3.46Å; I661-R663 VanDerWaalsContact C-N 3.33Å; I661-R663 PolarHBondContact O-N 3.13Å; I661-S664 PolarHBondContact O-N 3.29Å; I661-L665 HydrophobicContact CG2-CD1 4Å; I661-L665 HydrophobicContact CG2-CG 4.48Å; I661-L665 WeakPolarHBondContact O-CG 3.17Å; I661-L665 PolarHBondContact O-N 3.21Å; I661-I828 HydrophobicContact CG2-CD1 4.15Å |
| 662 | N | 92.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -41.6 | 173.6 | 155.5 | 85.7 | 0 | 0 | 0 | 112.6 | S658 F659 L660 L665 S666 S825 I828 I829 | S658-N662 WeakPolarHBondContact O-CB 3.34Å; S658-N662 PolarHBondContact O-N 2.8Å; F659-N662 WeakPolarHBondContact O-CB 3.01Å; F659-N662 PolarHBondContact O-N 3.42Å; L660-N662 VanDerWaalsContact C-N 3.3Å; L660-N662 PolarHBondContact O-N 2.86Å; N662-L665 PolarHBondContact O-N 3.31Å; N662-S666 WeakPolarHBondContact O-CB 3.44Å; N662-S666 PolarHBondContact O-N 2.81Å; N662-S825 WeakPolarHBondContact OD1-CB 3.31Å; N662-S825 PolarHBondContact OD1-O 2.9Å; N662-S825 PolarHBondContact OD1-OG 3.12Å; N662-I828 HydrophobicContact CB-CB 4.26Å; N662-I828 HydrophobicContact CB-CD1 4.3Å; N662-I828 HydrophobicContact CB-CG2 3.9Å; N662-I829 HydrophobicContact CB-CD1 4.42Å; N662-I829 WeakPolarHBondContact OD1-CG1 3.48Å |
| 663 | R | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 177.3 | -67.5 | -57.3 | -66.1 | 150.3 | -17.3 | 112 | F659 L660 I661 Y667 S762 S766 I786 E790 | F659-R663 HydrophobicContact CD1-CG 4.11Å; F659-R663 HydrophobicContact CE1-CG 3.65Å; F659-R663 HydrophobicContact CZ-CG 4.16Å; F659-R663 PolarHBondContact O-N 3.07Å; L660-R663 PolarHBondContact O-N 3.46Å; I661-R663 VanDerWaalsContact C-N 3.33Å; I661-R663 PolarHBondContact O-N 3.13Å; R663-Y667 PolarHBondContact NH2-OH 2.97Å; R663-Y667 WeakPolarHBondContact O-CB 3.31Å; R663-Y667 PolarHBondContact O-N 3.07Å; R663-S762 PolarHBondContact NH1-O 3.38Å; R663-S762 PolarHBondContact NH2-O 2.78Å; R663-S766 WeakPolarHBondContact CD-OG 3.26Å; R663-S766 PolarHBondContact NE-OG 3.3Å; R663-I786 HydrophobicContact CG-CG2 4.33Å; R663-E790 HydrophobicContact CB-CG 3.98Å; R663-E790 IonicContact CZ-OE1 3.13Å; R663-E790 IonicContact NE-OE1 2.8Å; R663-E790 PolarHBondContact NE-OE1 3.01Å; R663-E790 IonicContact NH2-OE1 2.67Å; R663-E790 PolarHBondContact NH2-OE1 3.46Å; R663-E790 IonicContact NH2-OE2 3.96Å |
| 664 | S | 93.2 | Very high | 90.8 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 12% | 0.119 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.1 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | L660 I661 S666 Y667 M668 F789 G793 | L660-S664 PolarHBondContact O-N 3.14Å; I661-S664 PolarHBondContact O-N 3.29Å; S664-S666 PolarHBondContact O-N 2.99Å; S664-Y667 PolarHBondContact O-N 3.06Å; S664-M668 WeakPolarHBondContact O-CG 3.45Å; S664-M668 PolarHBondContact O-N 3.12Å; S664-F789 WeakPolarHBondContact CA-O 3.33Å; S664-F789 WeakPolarHBondContact CB-O 3.2Å; S664-F789 WeakPolarHBondContact OG-CB 3.43Å; S664-F789 WeakPolarHBondContact OG-CD1 3.46Å; S664-F789 PolarHBondContact OG-O 3.41Å; S664-G793 WeakPolarHBondContact O-CA 3.34Å |
| 665 | L | 94.1 | Very high | 91.1 | Very high | 30 Ų | 30 | 16.3 Ų | 16.3 | 16% | 0.157 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | -179 | -73.2 | 170.2 | 0 | 0 | 0 | 112.6 | I661 N662 M668 A669 C821 I824 I828 | I661-L665 HydrophobicContact CG2-CD1 4Å; I661-L665 HydrophobicContact CG2-CG 4.48Å; I661-L665 WeakPolarHBondContact O-CG 3.17Å; I661-L665 PolarHBondContact O-N 3.21Å; N662-L665 PolarHBondContact O-N 3.31Å; L665-M668 HydrophobicContact CD2-SD 4.34Å; L665-M668 PolarHBondContact O-N 3.05Å; L665-A669 PolarHBondContact O-N 3.29Å; L665-C821 HydrophobicContact CD2-CB 4.39Å; L665-I824 HydrophobicContact CD1-CB 4.08Å; L665-I824 HydrophobicContact CD1-CG2 3.56Å; L665-I828 HydrophobicContact CD1-CD1 4.07Å |
| 666 | S | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 172.7 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | N662 S664 M668 A669 D670 | N662-S666 WeakPolarHBondContact O-CB 3.44Å; N662-S666 PolarHBondContact O-N 2.81Å; S664-S666 PolarHBondContact O-N 2.99Å; S666-M668 VanDerWaalsContact C-N 3.3Å; S666-M668 PolarHBondContact O-N 3.12Å; S666-A669 WeakPolarHBondContact O-CA 3.4Å; S666-A669 WeakPolarHBondContact O-CB 3.19Å; S666-A669 PolarHBondContact O-N 3.24Å; S666-D670 PolarHBondContact O-N 2.69Å |
| 667 | Y | 93.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.02 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.5 | -20.2 | -177.7 | -87.2 | -141.1 | 0 | 0 | 0 | 114.4 | F82 R663 S664 A669 S671 F763 E790 Y794 | F82-Y667 HydrophobicContact CE1-CD1 4.16Å; F82-Y667 HydrophobicContact CE1-CE1 4.11Å; F82-Y667 HydrophobicContact CZ-CD1 4.18Å; F82-Y667 AromaticContact CZ-CE1 3.79Å; F82-Y667 HydrophobicContact CZ-CE1 3.79Å; R663-Y667 PolarHBondContact NH2-OH 2.97Å; R663-Y667 WeakPolarHBondContact O-CB 3.31Å; R663-Y667 PolarHBondContact O-N 3.07Å; S664-Y667 PolarHBondContact O-N 3.06Å; Y667-A669 VanDerWaalsContact C-N 3.34Å; Y667-S671 WeakPolarHBondContact O-CB 3.29Å; Y667-S671 PolarHBondContact O-N 3.1Å; Y667-F763 AromaticContact CE2-CE1 3.93Å; Y667-F763 HydrophobicContact CE2-CE1 3.93Å; Y667-F763 HydrophobicContact CE2-CE2 4.43Å; Y667-F763 AromaticContact CE2-CZ 3.71Å; Y667-F763 HydrophobicContact CE2-CZ 3.71Å; Y667-F763 AromaticContact CZ-CE1 3.69Å; Y667-F763 AromaticContact CZ-CZ 3.89Å; Y667-F763 WeakPolarHBondContact OH-CE1 3.43Å; Y667-E790 WeakPolarHBondContact CB-O 3.48Å; Y667-E790 HydrophobicContact CD1-CB 3.41Å; Y667-E790 VanDerWaalsContact CD1-CB 3.41Å; Y667-E790 HydrophobicContact CD1-CG 3.78Å; Y667-E790 WeakPolarHBondContact CD1-O 3.45Å; Y667-E790 HydrophobicContact CD2-CG 4.23Å; Y667-E790 HydrophobicContact CE1-CB 3.38Å; Y667-E790 HydrophobicContact CE1-CG 3.5Å; Y667-E790 VanDerWaalsContact CE1-OE2 3.24Å; Y667-E790 WeakPolarHBondContact CE1-OE2 3.26Å; Y667-E790 HydrophobicContact CE2-CG 4.06Å; Y667-E790 HydrophobicContact CG-CB 4.06Å; Y667-E790 HydrophobicContact CG-CG 4.08Å; Y667-E790 PolarHBondContact OH-OE1 2.81Å; Y667-E790 PolarHBondContact OH-OE2 3.47Å; Y667-Y794 HydrophobicContact CD1-CD2 4.32Å |
| 668 | M | 94.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 10.7 Ų | 10.7 | 11% | 0.113 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 165.5 | -71.6 | 171.1 | 64.9 | 0 | 0 | 110.9 | S664 L665 S666 I672 G793 I796 L800 F817 | S664-M668 WeakPolarHBondContact O-CG 3.45Å; S664-M668 PolarHBondContact O-N 3.12Å; L665-M668 HydrophobicContact CD2-SD 4.34Å; L665-M668 PolarHBondContact O-N 3.05Å; S666-M668 VanDerWaalsContact C-N 3.3Å; S666-M668 PolarHBondContact O-N 3.12Å; M668-I672 WeakPolarHBondContact O-CG1 3.34Å; M668-I672 PolarHBondContact O-N 3.14Å; M668-I672 VanDerWaalsContact O-N 3.1Å; M668-G793 WeakPolarHBondContact CA-O 3.37Å; M668-G793 WeakPolarHBondContact CG-O 3.37Å; M668-I796 HydrophobicContact CE-CG2 3.97Å; M668-L800 HydrophobicContact CE-CD2 4.07Å; M668-F817 HydrophobicContact CE-CE1 3.83Å; M668-F817 HydrophobicContact CE-CZ 3.62Å |
| 669 | A | 93.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 2% | 0.017 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -70.8 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L665 S666 Y667 I672 L673 A818 N822 | L665-A669 PolarHBondContact O-N 3.29Å; S666-A669 WeakPolarHBondContact O-CA 3.4Å; S666-A669 WeakPolarHBondContact O-CB 3.19Å; S666-A669 PolarHBondContact O-N 3.24Å; Y667-A669 VanDerWaalsContact C-N 3.34Å; A669-I672 PolarHBondContact O-N 3.03Å; A669-L673 PolarHBondContact O-N 2.97Å; A669-A818 HydrophobicContact CB-CB 3.97Å; A669-A818 WeakPolarHBondContact CB-O 3.48Å; A669-N822 WeakPolarHBondContact CB-ND2 3.18Å; A669-N822 WeakPolarHBondContact CB-OD1 3.49Å |
| 670 | D | 92.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 173.2 | -68.7 | 36.4 | 0 | 0 | 0 | 111 | S666 I672 L673 Y674 Y755 F763 | S666-D670 PolarHBondContact O-N 2.69Å; D670-I672 VanDerWaalsContact C-N 3.3Å; D670-I672 PolarHBondContact O-N 2.66Å; D670-L673 WeakPolarHBondContact O-CB 3.39Å; D670-L673 PolarHBondContact O-N 3.07Å; D670-L673 VanDerWaalsContact O-N 3.13Å; D670-Y674 VanDerWaalsContact O-CD2 3.28Å; D670-Y674 WeakPolarHBondContact O-CD2 3.34Å; D670-Y674 PolarHBondContact O-N 2.91Å; D670-Y755 WeakPolarHBondContact CA-OH 3.27Å; D670-Y755 PolarHBondContact N-OH 2.93Å; D670-Y755 PolarHBondContact OD1-OH 2.97Å; D670-Y755 VanDerWaalsContact OD1-OH 3.05Å; D670-F763 VanDerWaalsContact OD2-CE2 3.29Å; D670-F763 WeakPolarHBondContact OD2-CE2 3.39Å; D670-F763 WeakPolarHBondContact OD2-CZ 3.04Å |
| 671 | S | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | T79 Y667 G675 Y794 G798 | T79-S671 WeakPolarHBondContact CG2-OG 3.42Å; Y667-S671 WeakPolarHBondContact O-CB 3.29Å; Y667-S671 PolarHBondContact O-N 3.1Å; S671-G675 PolarHBondContact O-N 2.93Å; S671-Y794 WeakPolarHBondContact CB-O 3.23Å; S671-Y794 PolarHBondContact OG-O 3.37Å; S671-G798 PolarHBondContact OG-N 2.82Å |
| 672 | I | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 173.3 | -72 | 165.9 | 0 | 0 | 0 | 111.5 | M668 A669 D670 H676 G797 T814 F815 F817 A818 | M668-I672 WeakPolarHBondContact O-CG1 3.34Å; M668-I672 PolarHBondContact O-N 3.14Å; M668-I672 VanDerWaalsContact O-N 3.1Å; A669-I672 PolarHBondContact O-N 3.03Å; D670-I672 VanDerWaalsContact C-N 3.3Å; D670-I672 PolarHBondContact O-N 2.66Å; I672-H676 WeakPolarHBondContact O-CB 3.41Å; I672-H676 PolarHBondContact O-N 3.31Å; I672-G797 VanDerWaalsContact CG1-O 3.31Å; I672-G797 WeakPolarHBondContact CG1-O 3.31Å; I672-T814 HydrophobicContact CG1-CG2 4.45Å; I672-T814 HydrophobicContact CG2-CG2 3.62Å; I672-F815 HydrophobicContact CG2-CD1 4.45Å; I672-F815 HydrophobicContact CG2-CE1 4.42Å; I672-F817 HydrophobicContact CD1-CD1 3.65Å; I672-F817 HydrophobicContact CD1-CE1 4.06Å; I672-A818 HydrophobicContact CB-CB 4.1Å; I672-A818 HydrophobicContact CD1-CB 3.92Å; I672-A818 HydrophobicContact CG2-CB 3.9Å |
| 673 | L | 92.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.4 | -62 | 174.5 | -179.7 | 77.6 | 0 | 0 | 0 | 110.9 | A669 D670 G675 H676 F677 V698 Y751 Y755 | A669-L673 PolarHBondContact O-N 2.97Å; D670-L673 WeakPolarHBondContact O-CB 3.39Å; D670-L673 PolarHBondContact O-N 3.07Å; D670-L673 VanDerWaalsContact O-N 3.13Å; L673-G675 PolarHBondContact O-N 3.09Å; L673-H676 PolarHBondContact O-N 3.34Å; L673-F677 HydrophobicContact CD1-CB 3.91Å; L673-F677 HydrophobicContact CD1-CD1 3.97Å; L673-F677 HydrophobicContact CD1-CD2 4.18Å; L673-F677 HydrophobicContact CD1-CG 3.78Å; L673-F677 HydrophobicContact CG-CB 4.38Å; L673-F677 WeakPolarHBondContact O-CB 3.3Å; L673-F677 PolarHBondContact O-N 3.42Å; L673-V698 HydrophobicContact CD2-CG1 4.38Å; L673-Y751 HydrophobicContact CD1-CD1 4.37Å; L673-Y751 HydrophobicContact CD1-CE1 3.46Å; L673-Y751 VanDerWaalsContact CD1-CE1 3.46Å; L673-Y755 HydrophobicContact CB-CE2 4.45Å; L673-Y755 HydrophobicContact CD2-CD1 3.44Å; L673-Y755 VanDerWaalsContact CD2-CD1 3.44Å; L673-Y755 HydrophobicContact CD2-CD2 4.28Å; L673-Y755 HydrophobicContact CD2-CE1 3.42Å; L673-Y755 VanDerWaalsContact CD2-CE1 3.42Å; L673-Y755 HydrophobicContact CD2-CE2 4.24Å; L673-Y755 HydrophobicContact CD2-CG 3.9Å |
| 674 | Y | 90.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 13.6 Ų | 13.6 | 5% | 0.047 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.9 | -32.2 | -175.1 | -77 | -70.5 | 0 | 0 | 0 | 112.3 | N54 A57 T174 D670 L695 V698 N702 Y794 | N54-Y674 HydrophobicContact CB-CD1 3.83Å; N54-Y674 HydrophobicContact CB-CE1 3.91Å; A57-Y674 WeakPolarHBondContact CB-O 3.4Å; T174-Y674 HydrophobicContact CG2-CE1 4.12Å; D670-Y674 VanDerWaalsContact O-CD2 3.28Å; D670-Y674 WeakPolarHBondContact O-CD2 3.34Å; D670-Y674 PolarHBondContact O-N 2.91Å; Y674-L695 HydrophobicContact CD1-CD1 3.62Å; Y674-L695 HydrophobicContact CE1-CD1 3.72Å; Y674-V698 HydrophobicContact CE1-CG1 3.95Å; Y674-N702 PolarHBondContact OH-ND2 2.76Å; Y674-Y794 HydrophobicContact CD2-CE2 4.47Å |
| 675 | G | 87.5 | Confident | 91 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -78.4 | -49.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F75 S671 L673 | F75-G675 VanDerWaalsContact CE1-C 3.46Å; F75-G675 VanDerWaalsContact CE1-CA 3.41Å; F75-G675 VanDerWaalsContact CE1-O 3.31Å; F75-G675 WeakPolarHBondContact CE1-O 3.39Å; S671-G675 PolarHBondContact O-N 2.93Å; L673-G675 PolarHBondContact O-N 3.09Å |
| 676 | H | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -104.9 | -12.2 | -165 | -65.4 | -88.8 | 0 | 0 | 0 | 114.5 | F75 I672 L673 I678 N679 F680 G798 G802 Y811 | F75-H676 AromaticContact CD2-CE1 3.86Å; F75-H676 AromaticContact CE1-CE1 3.99Å; F75-H676 AromaticContact CE1-NE2 3.78Å; F75-H676 AromaticContact CE2-CE1 3.06Å; F75-H676 WeakPolarHBondContact CE2-CE1 3.29Å; F75-H676 AromaticContact CE2-ND1 3.73Å; F75-H676 AromaticContact CE2-NE2 3.55Å; F75-H676 AromaticContact CZ-CD2 3.87Å; F75-H676 AromaticContact CZ-CE1 3.16Å; F75-H676 WeakPolarHBondContact CZ-CE1 3.14Å; F75-H676 AromaticContact CZ-CG 3.89Å; F75-H676 AromaticContact CZ-ND1 3.46Å; F75-H676 WeakPolarHBondContact CZ-ND1 3.48Å; F75-H676 AromaticContact CZ-NE2 3.43Å; F75-H676 WeakPolarHBondContact CZ-NE2 3.46Å; I672-H676 WeakPolarHBondContact O-CB 3.41Å; I672-H676 PolarHBondContact O-N 3.31Å; L673-H676 PolarHBondContact O-N 3.34Å; H676-I678 PolarHBondContact O-N 3.39Å; H676-N679 PolarHBondContact O-N 3.4Å; H676-F680 WeakPolarHBondContact O-CB 3.43Å; H676-F680 PolarHBondContact O-N 3.04Å; H676-G798 PolarHBondContact NE2-O 2.87Å; H676-G802 PolarHBondContact CE1-N 2.85Å; H676-G802 VanDerWaalsContact CE1-N 3.31Å; H676-G802 PolarHBondContact NE2-N 3.18Å; H676-Y811 HydrophobicContact CB-CD1 4.24Å; H676-Y811 HydrophobicContact CB-CE1 4.08Å; H676-Y811 AromaticContact ND1-CE1 3.55Å |
| 677 | F | 91.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | -171.6 | -177.3 | -136.8 | 0 | 0 | 0 | 114.4 | L673 G681 L694 V698 L748 Y751 | L673-F677 HydrophobicContact CD1-CB 3.91Å; L673-F677 HydrophobicContact CD1-CD1 3.97Å; L673-F677 HydrophobicContact CD1-CD2 4.18Å; L673-F677 HydrophobicContact CD1-CG 3.78Å; L673-F677 HydrophobicContact CG-CB 4.38Å; L673-F677 WeakPolarHBondContact O-CB 3.3Å; L673-F677 PolarHBondContact O-N 3.42Å; F677-G681 PolarHBondContact O-N 2.91Å; F677-G681 VanDerWaalsContact O-N 3.15Å; F677-L694 HydrophobicContact CD1-CB 4.15Å; F677-L694 HydrophobicContact CE1-CB 3.61Å; F677-L694 HydrophobicContact CE1-CD1 4.43Å; F677-L694 HydrophobicContact CE1-CG 4.5Å; F677-L694 HydrophobicContact CE2-CD1 4.3Å; F677-L694 HydrophobicContact CZ-CB 4Å; F677-L694 HydrophobicContact CZ-CD1 4.15Å; F677-L694 HydrophobicContact CZ-CD2 4.43Å; F677-L694 HydrophobicContact CZ-CG 4.43Å; F677-V698 HydrophobicContact CD1-CG2 4.16Å; F677-V698 HydrophobicContact CE1-CG2 3.67Å; F677-L748 HydrophobicContact CD2-CD2 4.38Å; F677-L748 HydrophobicContact CE2-CB 4.3Å; F677-L748 HydrophobicContact CE2-CD2 3.73Å; F677-L748 WeakPolarHBondContact CZ-O 3.41Å; F677-Y751 HydrophobicContact CD2-CD1 4.25Å; F677-Y751 HydrophobicContact CD2-CE1 4.31Å; F677-Y751 AromaticContact CE2-CD1 3.65Å; F677-Y751 HydrophobicContact CE2-CD1 3.65Å; F677-Y751 HydrophobicContact CE2-CE1 4.16Å; F677-Y751 HydrophobicContact CZ-CD1 4.09Å |
| 678 | I | 89.8 | Confident | 90.3 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -51.2 | 174.8 | -61.6 | 176 | 0 | 0 | 0 | 109.8 | L58 H676 F680 G681 I682 A691 N692 L695 | L58-I678 HydrophobicContact CD1-CD1 3.44Å; L58-I678 VanDerWaalsContact CD1-CD1 3.44Å; L58-I678 HydrophobicContact CG-CD1 4.05Å; H676-I678 PolarHBondContact O-N 3.39Å; I678-F680 VanDerWaalsContact C-N 3.26Å; I678-F680 PolarHBondContact O-N 3.41Å; I678-G681 WeakPolarHBondContact O-CA 3.2Å; I678-G681 PolarHBondContact O-N 2.87Å; I678-I682 HydrophobicContact CG2-CD1 4.05Å; I678-I682 PolarHBondContact O-N 3.41Å; I678-A691 HydrophobicContact CG2-CB 3.99Å; I678-N692 WeakPolarHBondContact CG2-OD1 3.39Å; I678-L695 HydrophobicContact CD1-CB 4.08Å; I678-L695 HydrophobicContact CD1-CD2 4.21Å; I678-L695 HydrophobicContact CG1-CB 4.42Å |
| 679 | N | 86.8 | Confident | 89.8 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -34.1 | 179.9 | -69.5 | -41.3 | 0 | 0 | 0 | 112.6 | H676 I682 S683 Y811 | H676-N679 PolarHBondContact O-N 3.4Å; N679-I682 PolarHBondContact O-N 2.94Å; N679-S683 WeakPolarHBondContact O-CB 3.36Å; N679-S683 PolarHBondContact O-N 2.88Å; N679-S683 PolarHBondContact O-OG 3.49Å; N679-Y811 HydrophobicContact CB-CE1 4.44Å; N679-Y811 WeakPolarHBondContact CB-OH 3.34Å |
| 680 | F | 90.7 | Very high | 89.6 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 172.6 | -179.4 | -121.1 | 0 | 0 | 0 | 111.9 | H676 I678 I682 S683 S684 M739 P740 P743 L748 Y811 F815 | H676-F680 WeakPolarHBondContact O-CB 3.43Å; H676-F680 PolarHBondContact O-N 3.04Å; I678-F680 VanDerWaalsContact C-N 3.26Å; I678-F680 PolarHBondContact O-N 3.41Å; F680-I682 VanDerWaalsContact C-N 3.35Å; F680-I682 PolarHBondContact O-N 3.48Å; F680-S683 WeakPolarHBondContact CA-OG 3.47Å; F680-S683 PolarHBondContact O-N 3.21Å; F680-S683 PolarHBondContact O-OG 3.38Å; F680-S684 WeakPolarHBondContact O-CB 3.47Å; F680-S684 PolarHBondContact O-N 2.94Å; F680-S684 PolarHBondContact O-OG 3.09Å; F680-M739 HydrophobicContact CD1-CE 4.28Å; F680-M739 HydrophobicContact CD1-SD 3.9Å; F680-M739 HydrophobicContact CE1-CE 4.2Å; F680-M739 HydrophobicContact CE1-SD 3.38Å; F680-M739 WeakPolarHBondContact CE1-SD 3.34Å; F680-M739 HydrophobicContact CZ-SD 4.36Å; F680-P740 HydrophobicContact CZ-CB 4.22Å; F680-P743 HydrophobicContact CE1-CB 3.85Å; F680-P743 HydrophobicContact CZ-CB 3.71Å; F680-P743 HydrophobicContact CZ-CG 4.44Å; F680-L748 HydrophobicContact CD1-CD2 3.78Å; F680-L748 HydrophobicContact CE1-CD2 3.86Å; F680-Y811 HydrophobicContact CB-CD1 4.43Å; F680-Y811 HydrophobicContact CB-CG 4.28Å; F680-Y811 AromaticContact CD2-CD2 3.98Å; F680-Y811 HydrophobicContact CD2-CD2 3.98Å; F680-Y811 AromaticContact CD2-CG 3.75Å; F680-Y811 HydrophobicContact CD2-CG 3.75Å; F680-Y811 HydrophobicContact CG-CG 4.45Å; F680-F815 HydrophobicContact CB-CE2 3.71Å; F680-F815 HydrophobicContact CB-CZ 4.14Å; F680-F815 HydrophobicContact CD1-CD2 4.48Å; F680-F815 AromaticContact CD1-CE2 3.81Å; F680-F815 HydrophobicContact CD1-CE2 3.81Å; F680-F815 HydrophobicContact CD1-CZ 4.38Å; F680-F815 HydrophobicContact CD2-CE2 4.18Å; F680-F815 HydrophobicContact CG-CD2 4.42Å; F680-F815 AromaticContact CG-CE2 3.6Å; F680-F815 HydrophobicContact CG-CE2 3.6Å; F680-F815 HydrophobicContact CG-CZ 4.36Å |
| 681 | G | 91 | Very high | 89.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.8 | -47.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F677 I678 S684 G685 L686 | F677-G681 PolarHBondContact O-N 2.91Å; F677-G681 VanDerWaalsContact O-N 3.15Å; I678-G681 WeakPolarHBondContact O-CA 3.2Å; I678-G681 PolarHBondContact O-N 2.87Å; G681-S684 PolarHBondContact O-N 3.19Å; G681-G685 PolarHBondContact O-N 3.22Å; G681-L686 VanDerWaalsContact O-CB 3.25Å; G681-L686 WeakPolarHBondContact O-CB 3.39Å; G681-L686 WeakPolarHBondContact O-CG 3.42Å; G681-L686 PolarHBondContact O-N 3.31Å |
| 682 | I | 89.4 | Confident | 89 | Confident | 49 Ų | 49 | 38.2 Ų | 38.2 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.8 | -49.4 | 176.1 | -61.8 | 169 | 0 | 0 | 0 | 110.6 | I678 N679 F680 S684 G685 E688 A691 | I678-I682 HydrophobicContact CG2-CD1 4.05Å; I678-I682 PolarHBondContact O-N 3.41Å; N679-I682 PolarHBondContact O-N 2.94Å; F680-I682 VanDerWaalsContact C-N 3.35Å; F680-I682 PolarHBondContact O-N 3.48Å; I682-S684 PolarHBondContact O-N 2.87Å; I682-S684 VanDerWaalsContact O-N 3.16Å; I682-G685 PolarHBondContact O-N 2.93Å; I682-E688 HydrophobicContact CD1-CG 4.09Å; I682-E688 HydrophobicContact CG1-CG 4.34Å; I682-A691 HydrophobicContact CD1-CB 4.31Å; I682-A691 HydrophobicContact CG1-CB 3.56Å |
| 683 | S | 87.7 | Confident | 88.9 | Confident | 72 Ų | 72 | 39.2 Ų | 39.2 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.8 | -21.2 | 179.1 | 72.7 | 0 | 0 | 0 | 0 | 114.1 | N679 F680 G685 Y811 | N679-S683 WeakPolarHBondContact O-CB 3.36Å; N679-S683 PolarHBondContact O-N 2.88Å; N679-S683 PolarHBondContact O-OG 3.49Å; F680-S683 WeakPolarHBondContact CA-OG 3.47Å; F680-S683 PolarHBondContact O-N 3.21Å; F680-S683 PolarHBondContact O-OG 3.38Å; S683-G685 VanDerWaalsContact C-N 3.29Å; S683-Y811 VanDerWaalsContact OG-CD2 3.29Å; S683-Y811 WeakPolarHBondContact OG-CD2 3.39Å; S683-Y811 WeakPolarHBondContact OG-CE2 3.17Å |
| 684 | S | 88.5 | Confident | 88.9 | Confident | 41 Ų | 41 | 39.1 Ų | 39.1 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.7 | 174.8 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | F680 G681 I682 P743 | F680-S684 WeakPolarHBondContact O-CB 3.47Å; F680-S684 PolarHBondContact O-N 2.94Å; F680-S684 PolarHBondContact O-OG 3.09Å; G681-S684 PolarHBondContact O-N 3.19Å; I682-S684 PolarHBondContact O-N 2.87Å; I682-S684 VanDerWaalsContact O-N 3.16Å; S684-P743 WeakPolarHBondContact OG-CB 3.32Å |
| 685 | G | 88.2 | Confident | 89 | Confident | 69 Ų | 69 | 38.7 Ų | 38.7 | 71% | 0.711 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | 12.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | G681 I682 S683 | G681-G685 PolarHBondContact O-N 3.22Å; I682-G685 PolarHBondContact O-N 2.93Å; S683-G685 VanDerWaalsContact C-N 3.29Å |
| 686 | L | 90 | Very high | 89.3 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | trans | -73.9 | 142.2 | 168 | -60.6 | -178.4 | 0 | 0 | 0 | 110.7 | G681 A691 L694 Y745 L748 | G681-L686 VanDerWaalsContact O-CB 3.25Å; G681-L686 WeakPolarHBondContact O-CB 3.39Å; G681-L686 WeakPolarHBondContact O-CG 3.42Å; G681-L686 PolarHBondContact O-N 3.31Å; L686-A691 HydrophobicContact CB-CB 4.47Å; L686-L694 HydrophobicContact CD1-CD1 4.14Å; L686-Y745 HydrophobicContact CD1-CD2 3.85Å; L686-Y745 HydrophobicContact CD2-CD2 3.97Å; L686-Y745 HydrophobicContact CD2-CG 4.29Å; L686-L748 HydrophobicContact CD1-CD1 3.63Å; L686-L748 HydrophobicContact CG-CD1 4.44Å | ||
| 687 | K | 89.6 | Confident | 89.4 | Confident | 137 Ų | 137 | 43.8 Ų | 43.8 | 60% | 0.596 | 24% | 0.239 | S | C | * | . | trans | -59.1 | 145.1 | 163.2 | -67.8 | -169.7 | 171.5 | -163.5 | 0 | 110.5 | E689 K690 A691 | K687-E689 VanDerWaalsContact C-N 3.31Å; K687-E689 PolarHBondContact O-N 3.29Å; K687-K690 WeakPolarHBondContact O-CB 3.45Å; K687-K690 PolarHBondContact O-N 3.17Å; K687-A691 PolarHBondContact O-N 3.14Å | ||
| 688 | E | 85.4 | Confident | 89.5 | Confident | 113 Ų | 113 | 43.7 Ų | 43.7 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.5 | -43.8 | -180 | -60.2 | -174 | 171.9 | 0 | 0 | 112.7 | I682 K690 A691 N692 | I682-E688 HydrophobicContact CD1-CG 4.09Å; I682-E688 HydrophobicContact CG1-CG 4.34Å; E688-K690 VanDerWaalsContact C-N 3.28Å; E688-K690 PolarHBondContact O-N 3.03Å; E688-A691 PolarHBondContact O-N 3.3Å; E688-A691 VanDerWaalsContact O-N 3.09Å; E688-N692 WeakPolarHBondContact O-CB 3.48Å; E688-N692 VanDerWaalsContact O-CG 3.24Å; E688-N692 PolarHBondContact O-N 2.94Å; E688-N692 PolarHBondContact O-ND2 3.38Å |
| 689 | E | 84.2 | Confident | 89.7 | Confident | 124 Ų | 124 | 43.4 Ų | 43.4 | 58% | 0.579 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -47 | -48.9 | 171.9 | -64 | 158.7 | -142.8 | 0 | 0 | 112.5 | K687 G693 | K687-E689 VanDerWaalsContact C-N 3.31Å; K687-E689 PolarHBondContact O-N 3.29Å; E689-G693 PolarHBondContact O-N 2.81Å |
| 690 | K | 89.2 | Confident | 90.1 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 44% | 0.443 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.6 | -37 | -179.2 | -72 | -170.1 | 177.2 | -175.6 | 0 | 111.8 | K687 E688 G693 Y745 | K687-K690 WeakPolarHBondContact O-CB 3.45Å; K687-K690 PolarHBondContact O-N 3.17Å; E688-K690 VanDerWaalsContact C-N 3.28Å; E688-K690 PolarHBondContact O-N 3.03Å; K690-G693 PolarHBondContact O-N 3.08Å; K690-Y745 HydrophobicContact CB-CD2 4.22Å; K690-Y745 HydrophobicContact CB-CE2 3.73Å; K690-Y745 HydrophobicContact CD-CD2 4.48Å; K690-Y745 HydrophobicContact CD-CE2 4.36Å; K690-Y745 HydrophobicContact CG-CE2 4.28Å |
| 691 | A | 89.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I678 I682 L686 K687 E688 G693 L694 | I678-A691 HydrophobicContact CG2-CB 3.99Å; I682-A691 HydrophobicContact CD1-CB 4.31Å; I682-A691 HydrophobicContact CG1-CB 3.56Å; L686-A691 HydrophobicContact CB-CB 4.47Å; K687-A691 PolarHBondContact O-N 3.14Å; E688-A691 PolarHBondContact O-N 3.3Å; E688-A691 VanDerWaalsContact O-N 3.09Å; A691-G693 VanDerWaalsContact C-N 3.29Å; A691-G693 PolarHBondContact O-N 3.42Å; A691-L694 WeakPolarHBondContact O-CB 3.38Å; A691-L694 WeakPolarHBondContact O-CG 3.43Å; A691-L694 PolarHBondContact O-N 3.35Å; A691-L694 VanDerWaalsContact O-N 3.08Å |
| 692 | N | 85.8 | Confident | 90.4 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 175.6 | -68.6 | -19.8 | 0 | 0 | 0 | 111.5 | T178 I678 E688 L694 L695 | T178-N692 WeakPolarHBondContact CG2-O 3.36Å; I678-N692 WeakPolarHBondContact CG2-OD1 3.39Å; E688-N692 WeakPolarHBondContact O-CB 3.48Å; E688-N692 VanDerWaalsContact O-CG 3.24Å; E688-N692 PolarHBondContact O-N 2.94Å; E688-N692 PolarHBondContact O-ND2 3.38Å; N692-L694 PolarHBondContact O-N 3.16Å; N692-L695 PolarHBondContact O-N 2.95Å |
| 693 | G | 89.2 | Confident | 90.6 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -25.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E689 K690 A691 L695 A696 Y697 | E689-G693 PolarHBondContact O-N 2.81Å; K690-G693 PolarHBondContact O-N 3.08Å; A691-G693 VanDerWaalsContact C-N 3.29Å; A691-G693 PolarHBondContact O-N 3.42Å; G693-L695 VanDerWaalsContact C-N 3.3Å; G693-L695 PolarHBondContact O-N 3.1Å; G693-A696 WeakPolarHBondContact O-CB 3.41Å; G693-A696 PolarHBondContact O-N 3.37Å; G693-A696 VanDerWaalsContact O-N 3.14Å; G693-Y697 WeakPolarHBondContact O-CD2 3.43Å; G693-Y697 PolarHBondContact O-N 3.23Å |
| 694 | L | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 178.4 | -62.4 | 175.1 | 0 | 0 | 0 | 112.2 | F677 L686 A691 N692 A696 Y697 V698 Y745 L748 I749 | F677-L694 HydrophobicContact CD1-CB 4.15Å; F677-L694 HydrophobicContact CE1-CB 3.61Å; F677-L694 HydrophobicContact CE1-CD1 4.43Å; F677-L694 HydrophobicContact CE1-CG 4.5Å; F677-L694 HydrophobicContact CE2-CD1 4.3Å; F677-L694 HydrophobicContact CZ-CB 4Å; F677-L694 HydrophobicContact CZ-CD1 4.15Å; F677-L694 HydrophobicContact CZ-CD2 4.43Å; F677-L694 HydrophobicContact CZ-CG 4.43Å; L686-L694 HydrophobicContact CD1-CD1 4.14Å; A691-L694 WeakPolarHBondContact O-CB 3.38Å; A691-L694 WeakPolarHBondContact O-CG 3.43Å; A691-L694 PolarHBondContact O-N 3.35Å; A691-L694 VanDerWaalsContact O-N 3.08Å; N692-L694 PolarHBondContact O-N 3.16Å; L694-A696 VanDerWaalsContact C-N 3.31Å; L694-A696 PolarHBondContact O-N 3.26Å; L694-Y697 PolarHBondContact O-N 3.37Å; L694-V698 PolarHBondContact O-N 3.41Å; L694-V698 VanDerWaalsContact O-N 3.1Å; L694-Y745 HydrophobicContact CD2-CD2 4.35Å; L694-Y745 HydrophobicContact CD2-CE2 4.1Å; L694-L748 HydrophobicContact CD1-CB 4.18Å; L694-L748 HydrophobicContact CD1-CD1 4.34Å; L694-L748 HydrophobicContact CD2-CB 3.9Å; L694-I749 HydrophobicContact CD2-CG1 3.83Å |
| 695 | L | 91.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.7 | -27 | 179.4 | -174.6 | 63.4 | 0 | 0 | 0 | 112.3 | V55 L58 T174 T178 Y674 I678 N692 G693 V698 G699 | V55-L695 HydrophobicContact CG1-CD2 4.25Å; L58-L695 HydrophobicContact CD1-CD2 3.58Å; T174-L695 HydrophobicContact CG2-CD1 3.8Å; T174-L695 HydrophobicContact CG2-CD2 4.38Å; T174-L695 HydrophobicContact CG2-CG 3.86Å; T178-L695 HydrophobicContact CG2-CB 3.95Å; T178-L695 HydrophobicContact CG2-CD2 4.43Å; T178-L695 HydrophobicContact CG2-CG 4.31Å; T178-L695 WeakPolarHBondContact OG1-CD2 3.42Å; T178-L695 WeakPolarHBondContact OG1-CG 3.34Å; Y674-L695 HydrophobicContact CD1-CD1 3.62Å; Y674-L695 HydrophobicContact CE1-CD1 3.72Å; I678-L695 HydrophobicContact CD1-CB 4.08Å; I678-L695 HydrophobicContact CD1-CD2 4.21Å; I678-L695 HydrophobicContact CG1-CB 4.42Å; N692-L695 PolarHBondContact O-N 2.95Å; G693-L695 VanDerWaalsContact C-N 3.3Å; G693-L695 PolarHBondContact O-N 3.1Å; L695-V698 HydrophobicContact CD1-CB 4.28Å; L695-V698 HydrophobicContact CD1-CG1 4.14Å; L695-V698 WeakPolarHBondContact O-CB 3.33Å; L695-V698 PolarHBondContact O-N 3.28Å; L695-G699 PolarHBondContact O-N 3.46Å |
| 696 | A | 93.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L175 T178 L179 G693 L694 V698 G699 L700 | L175-A696 HydrophobicContact CD1-CB 3.94Å; T178-A696 HydrophobicContact CG2-CB 4.09Å; L179-A696 HydrophobicContact CD2-CB 4.17Å; L179-A696 HydrophobicContact CG-CB 4.48Å; G693-A696 WeakPolarHBondContact O-CB 3.41Å; G693-A696 PolarHBondContact O-N 3.37Å; G693-A696 VanDerWaalsContact O-N 3.14Å; L694-A696 VanDerWaalsContact C-N 3.31Å; L694-A696 PolarHBondContact O-N 3.26Å; A696-V698 VanDerWaalsContact C-N 3.35Å; A696-V698 PolarHBondContact O-N 3.48Å; A696-G699 PolarHBondContact O-N 2.87Å; A696-L700 WeakPolarHBondContact O-CB 2.92Å; A696-L700 PolarHBondContact O-N 3.05Å |
| 697 | Y | 93.7 | Very high | 91.3 | Very high | 94 Ų | 94 | 43 Ų | 43 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.8 | -41 | 172.8 | -69.2 | -69 | 0 | 0 | 0 | 112.2 | G693 L694 S701 I749 | G693-Y697 WeakPolarHBondContact O-CD2 3.43Å; G693-Y697 PolarHBondContact O-N 3.23Å; L694-Y697 PolarHBondContact O-N 3.37Å; Y697-S701 WeakPolarHBondContact O-CB 3.29Å; Y697-S701 PolarHBondContact O-N 3.27Å; Y697-S701 PolarHBondContact O-OG 3.32Å; Y697-I749 HydrophobicContact CD1-CG2 4.44Å; Y697-I749 HydrophobicContact CD2-CD1 4.12Å; Y697-I749 HydrophobicContact CD2-CG1 3.88Å; Y697-I749 HydrophobicContact CD2-CG2 4.49Å; Y697-I749 HydrophobicContact CE2-CD1 3.69Å; Y697-I749 HydrophobicContact CE2-CG1 3.99Å; Y697-I749 HydrophobicContact CG-CG2 4.32Å |
| 698 | V | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -49.7 | 171.8 | 165 | 0 | 0 | 0 | 0 | 110.9 | L673 Y674 F677 L694 L695 A696 L700 S701 N702 S756 | L673-V698 HydrophobicContact CD2-CG1 4.38Å; Y674-V698 HydrophobicContact CE1-CG1 3.95Å; F677-V698 HydrophobicContact CD1-CG2 4.16Å; F677-V698 HydrophobicContact CE1-CG2 3.67Å; L694-V698 PolarHBondContact O-N 3.41Å; L694-V698 VanDerWaalsContact O-N 3.1Å; L695-V698 HydrophobicContact CD1-CB 4.28Å; L695-V698 HydrophobicContact CD1-CG1 4.14Å; L695-V698 WeakPolarHBondContact O-CB 3.33Å; L695-V698 PolarHBondContact O-N 3.28Å; A696-V698 VanDerWaalsContact C-N 3.35Å; A696-V698 PolarHBondContact O-N 3.48Å; V698-L700 PolarHBondContact O-N 3.36Å; V698-S701 PolarHBondContact O-OG 3.1Å; V698-N702 WeakPolarHBondContact O-CB 3.23Å; V698-N702 PolarHBondContact O-N 3.03Å; V698-S756 WeakPolarHBondContact CA-OG 3.18Å; V698-S756 WeakPolarHBondContact CG1-OG 3.38Å; V698-S756 PolarHBondContact O-OG 3.42Å |
| 699 | G | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G171 L695 A696 N702 M703 | G171-G699 CarbonylContact C-O 3.57Å; G171-G699 VanDerWaalsContact C-O 3.28Å; G171-G699 WeakPolarHBondContact CA-O 3.3Å; G171-G699 CarbonylContact O-C 3.46Å; G171-G699 WeakPolarHBondContact O-CA 3.45Å; L695-G699 PolarHBondContact O-N 3.46Å; A696-G699 PolarHBondContact O-N 2.87Å; G699-N702 PolarHBondContact O-N 2.59Å; G699-M703 PolarHBondContact O-N 2.91Å |
| 700 | L | 94.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 27.9 Ų | 27.9 | 36% | 0.361 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62 | -49.5 | 180 | 177.8 | 60.1 | 0 | 0 | 0 | 112.3 | L175 A696 V698 N702 M703 L704 | L175-L700 HydrophobicContact CD1-CB 4.34Å; L175-L700 HydrophobicContact CD2-CB 4.09Å; L175-L700 HydrophobicContact CD2-CD1 4.03Å; A696-L700 WeakPolarHBondContact O-CB 2.92Å; A696-L700 PolarHBondContact O-N 3.05Å; V698-L700 PolarHBondContact O-N 3.36Å; L700-N702 VanDerWaalsContact C-N 3.34Å; L700-N702 PolarHBondContact O-N 2.89Å; L700-M703 HydrophobicContact CD1-CE 4.06Å; L700-M703 WeakPolarHBondContact O-CB 3.41Å; L700-M703 PolarHBondContact O-N 2.96Å; L700-L704 HydrophobicContact CD1-CD1 4.02Å; L700-L704 HydrophobicContact CD1-CG 4.37Å; L700-L704 HydrophobicContact CG-CD1 4.26Å; L700-L704 WeakPolarHBondContact O-CG 2.99Å; L700-L704 PolarHBondContact O-N 3.48Å |
| 701 | S | 94.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.7 | -31.5 | 179.9 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | Y697 V698 G705 I753 S756 | Y697-S701 WeakPolarHBondContact O-CB 3.29Å; Y697-S701 PolarHBondContact O-N 3.27Å; Y697-S701 PolarHBondContact O-OG 3.32Å; V698-S701 PolarHBondContact O-OG 3.1Å; S701-G705 WeakPolarHBondContact O-CA 3.33Å; S701-G705 PolarHBondContact O-N 3.2Å; S701-I753 WeakPolarHBondContact OG-CA 3.27Å; S701-S756 WeakPolarHBondContact OG-CB 3.4Å; S701-S756 PolarHBondContact OG-OG 3.11Å |
| 702 | N | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 174.9 | -169.5 | 24.2 | 0 | 0 | 0 | 111.2 | Y674 V698 G699 L700 R706 | Y674-N702 PolarHBondContact OH-ND2 2.76Å; V698-N702 WeakPolarHBondContact O-CB 3.23Å; V698-N702 PolarHBondContact O-N 3.03Å; G699-N702 PolarHBondContact O-N 2.59Å; L700-N702 VanDerWaalsContact C-N 3.34Å; L700-N702 PolarHBondContact O-N 2.89Å; N702-R706 PolarHBondContact ND2-NH2 3.15Å; N702-R706 WeakPolarHBondContact O-CB 3.33Å; N702-R706 VanDerWaalsContact O-CG 3.25Å; N702-R706 WeakPolarHBondContact O-CG 3.38Å; N702-R706 PolarHBondContact O-N 3.39Å; N702-R706 VanDerWaalsContact O-N 3.13Å; N702-R706 VanDerWaalsContact OD1-CZ 3.28Å; N702-R706 PolarHBondContact OD1-NE 3.21Å; N702-R706 PolarHBondContact OD1-NH2 3.37Å; N702-R706 VanDerWaalsContact OD1-NH2 3.14Å |
| 703 | M | 94.2 | Very high | 91.1 | Very high | 31 Ų | 31 | 29 Ų | 29 | 15% | 0.153 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -54.3 | 173.5 | -176.4 | -170.3 | 73.5 | 0 | 0 | 111.2 | F43 S168 F172 G699 L700 I707 | F43-M703 HydrophobicContact CZ-SD 4.41Å; S168-M703 WeakPolarHBondContact CB-O 3.46Å; F172-M703 HydrophobicContact CB-CG 4.23Å; F172-M703 HydrophobicContact CB-SD 3.75Å; F172-M703 HydrophobicContact CD2-SD 3.98Å; F172-M703 HydrophobicContact CG-SD 4.34Å; G699-M703 PolarHBondContact O-N 2.91Å; L700-M703 HydrophobicContact CD1-CE 4.06Å; L700-M703 WeakPolarHBondContact O-CB 3.41Å; L700-M703 PolarHBondContact O-N 2.96Å; M703-I707 HydrophobicContact CG-CD1 4.32Å; M703-I707 WeakPolarHBondContact O-CG1 3.44Å; M703-I707 PolarHBondContact O-N 3.29Å |
| 704 | L | 94.4 | Very high | 90.6 | Very high | 96 Ų | 96 | 30 Ų | 30 | 50% | 0.503 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.4 | -43.4 | -177.6 | -65.4 | 175.3 | 0 | 0 | 0 | 112 | L700 I707 A708 | L700-L704 HydrophobicContact CD1-CD1 4.02Å; L700-L704 HydrophobicContact CD1-CG 4.37Å; L700-L704 HydrophobicContact CG-CD1 4.26Å; L700-L704 WeakPolarHBondContact O-CG 2.99Å; L700-L704 PolarHBondContact O-N 3.48Å; L704-I707 PolarHBondContact O-N 3.04Å; L704-A708 WeakPolarHBondContact O-CB 3.44Å; L704-A708 PolarHBondContact O-N 3.41Å |
| 705 | G | 91.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S701 I707 A708 I709 | S701-G705 WeakPolarHBondContact O-CA 3.33Å; S701-G705 PolarHBondContact O-N 3.2Å; G705-I707 VanDerWaalsContact C-N 3.34Å; G705-I707 PolarHBondContact O-N 2.9Å; G705-A708 PolarHBondContact O-N 3.2Å; G705-I709 VanDerWaalsContact O-CB 3.32Å; G705-I709 WeakPolarHBondContact O-CB 3.49Å; G705-I709 WeakPolarHBondContact O-CD1 3.25Å; G705-I709 WeakPolarHBondContact O-CG1 3.44Å; G705-I709 PolarHBondContact O-N 3.39Å |
| 706 | R | 91.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.3 | -73.7 | 176.5 | -165.9 | -158.1 | -0.5 | 112.7 | S167 N702 G710 F763 | S167-R706 PolarHBondContact O-NH1 3.29Å; N702-R706 PolarHBondContact ND2-NH2 3.15Å; N702-R706 WeakPolarHBondContact O-CB 3.33Å; N702-R706 VanDerWaalsContact O-CG 3.25Å; N702-R706 WeakPolarHBondContact O-CG 3.38Å; N702-R706 PolarHBondContact O-N 3.39Å; N702-R706 VanDerWaalsContact O-N 3.13Å; N702-R706 VanDerWaalsContact OD1-CZ 3.28Å; N702-R706 PolarHBondContact OD1-NE 3.21Å; N702-R706 PolarHBondContact OD1-NH2 3.37Å; N702-R706 VanDerWaalsContact OD1-NH2 3.14Å; R706-G710 PolarHBondContact O-N 3.08Å; R706-F763 VanDerWaalsContact NH2-CD1 3.28Å; R706-F763 VanDerWaalsContact NH2-CZ 3.33Å |
| 707 | I | 91 | Very high | 87.9 | Confident | 50 Ų | 50 | 45 Ų | 45 | 26% | 0.256 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.4 | -48.4 | 177 | -65.9 | 167.5 | 0 | 0 | 0 | 110.4 | F161 S168 M703 L704 G705 I709 G710 L711 | F161-I707 HydrophobicContact CE2-CG2 4.32Å; S168-I707 WeakPolarHBondContact OG-CG1 3.38Å; M703-I707 HydrophobicContact CG-CD1 4.32Å; M703-I707 WeakPolarHBondContact O-CG1 3.44Å; M703-I707 PolarHBondContact O-N 3.29Å; L704-I707 PolarHBondContact O-N 3.04Å; G705-I707 VanDerWaalsContact C-N 3.34Å; G705-I707 PolarHBondContact O-N 2.9Å; I707-I709 PolarHBondContact O-N 3.41Å; I707-G710 PolarHBondContact O-N 3.47Å; I707-L711 HydrophobicContact CG2-CD1 4.45Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 2.67Å |
| 708 | A | 91.7 | Very high | 86.9 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L704 G705 L711 I712 | L704-A708 WeakPolarHBondContact O-CB 3.44Å; L704-A708 PolarHBondContact O-N 3.41Å; G705-A708 PolarHBondContact O-N 3.2Å; A708-L711 WeakPolarHBondContact O-CB 3.36Å; A708-L711 PolarHBondContact O-N 2.8Å; A708-I712 VanDerWaalsContact O-CG1 3.31Å; A708-I712 WeakPolarHBondContact O-CG1 3.49Å; A708-I712 PolarHBondContact O-N 3.24Å |
| 709 | I | 89.7 | Confident | 86 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.5 | -34.2 | 178 | -73.4 | 159.6 | 0 | 0 | 0 | 111.8 | G705 I707 L711 I712 G713 F724 I757 P761 A764 F765 | G705-I709 VanDerWaalsContact O-CB 3.32Å; G705-I709 WeakPolarHBondContact O-CB 3.49Å; G705-I709 WeakPolarHBondContact O-CD1 3.25Å; G705-I709 WeakPolarHBondContact O-CG1 3.44Å; G705-I709 PolarHBondContact O-N 3.39Å; I707-I709 PolarHBondContact O-N 3.41Å; I709-L711 VanDerWaalsContact C-N 3.35Å; I709-I712 PolarHBondContact O-N 3.45Å; I709-G713 PolarHBondContact O-N 2.94Å; I709-F724 HydrophobicContact CG1-CE1 4.46Å; I709-F724 HydrophobicContact CG2-CE1 4.13Å; I709-I757 WeakPolarHBondContact CD1-O 3.33Å; I709-P761 HydrophobicContact CD1-CG 3.98Å; I709-P761 HydrophobicContact CG2-CB 4.21Å; I709-P761 HydrophobicContact CG2-CG 4.05Å; I709-A764 HydrophobicContact CG2-CB 4.41Å; I709-F765 HydrophobicContact CG2-CD2 4.49Å; I709-F765 HydrophobicContact CG2-CE2 3.56Å; I709-F765 HydrophobicContact CG2-CZ 3.58Å; I709-F765 WeakPolarHBondContact O-CZ 3.16Å |
| 710 | G | 84.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | A164 R706 I707 Q714 | A164-G710 VanDerWaalsContact CB-CA 3.4Å; R706-G710 PolarHBondContact O-N 3.08Å; I707-G710 PolarHBondContact O-N 3.47Å; G710-Q714 WeakPolarHBondContact O-CB 3.28Å; G710-Q714 PolarHBondContact O-N 3.26Å |
| 711 | L | 87.4 | Confident | 85.1 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.7 | -50.1 | 173.7 | -68.7 | 166 | 0 | 0 | 0 | 111.2 | F161 I707 A708 I709 G713 Q714 F715 | F161-L711 HydrophobicContact CD1-CD2 4.46Å; F161-L711 HydrophobicContact CD2-CD2 3.79Å; F161-L711 HydrophobicContact CD2-CG 3.97Å; F161-L711 HydrophobicContact CE1-CD2 4.11Å; F161-L711 HydrophobicContact CE2-CD1 4.38Å; F161-L711 HydrophobicContact CE2-CD2 3.38Å; F161-L711 HydrophobicContact CE2-CG 3.54Å; F161-L711 HydrophobicContact CG-CD2 4.33Å; F161-L711 HydrophobicContact CZ-CD2 3.55Å; F161-L711 HydrophobicContact CZ-CG 4.15Å; I707-L711 HydrophobicContact CG2-CD1 4.45Å; I707-L711 WeakPolarHBondContact O-CG 3.43Å; I707-L711 PolarHBondContact O-N 2.67Å; A708-L711 WeakPolarHBondContact O-CB 3.36Å; A708-L711 PolarHBondContact O-N 2.8Å; I709-L711 VanDerWaalsContact C-N 3.35Å; L711-G713 VanDerWaalsContact C-N 3.33Å; L711-G713 PolarHBondContact O-N 2.93Å; L711-Q714 PolarHBondContact O-N 3.09Å; L711-Q714 VanDerWaalsContact O-N 3.13Å; L711-F715 HydrophobicContact CD2-CE2 3.87Å; L711-F715 VanDerWaalsContact O-CD2 3.26Å; L711-F715 WeakPolarHBondContact O-CD2 3.12Å; L711-F715 PolarHBondContact O-N 3.3Å |
| 712 | I | 87.5 | Confident | 84.7 | Confident | 73 Ų | 73 | 53 Ų | 53 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.5 | -48.7 | 178.6 | -69 | 162.5 | 0 | 0 | 0 | 110.5 | A708 I709 Q714 S716 L719 | A708-I712 VanDerWaalsContact O-CG1 3.31Å; A708-I712 WeakPolarHBondContact O-CG1 3.49Å; A708-I712 PolarHBondContact O-N 3.24Å; I709-I712 PolarHBondContact O-N 3.45Å; I712-Q714 VanDerWaalsContact C-N 3.33Å; I712-Q714 PolarHBondContact O-N 3.31Å; I712-S716 WeakPolarHBondContact O-CB 3.27Å; I712-S716 PolarHBondContact O-N 3.43Å; I712-S716 PolarHBondContact O-OG 2.99Å; I712-L719 HydrophobicContact CG2-CD2 3.94Å |
| 713 | G | 79.1 | Confident | 84.5 | Confident | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.8 | -22.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | I709 L711 | I709-G713 PolarHBondContact O-N 2.94Å; L711-G713 VanDerWaalsContact C-N 3.33Å; L711-G713 PolarHBondContact O-N 2.93Å |
| 714 | Q | 77.6 | Confident | 84.3 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -80.7 | -35.4 | 176.7 | -179.2 | 69.6 | 61.4 | 0 | 0 | 112.6 | R157 Y158 F161 G710 L711 I712 | R157-Q714 PolarHBondContact O-NE2 2.75Å; Y158-Q714 VanDerWaalsContact C-OE1 3.31Å; Y158-Q714 PolarHBondContact O-OE1 3.18Å; F161-Q714 HydrophobicContact CB-CB 4Å; F161-Q714 HydrophobicContact CB-CG 3.95Å; F161-Q714 VanDerWaalsContact N-OE1 3.16Å; G710-Q714 WeakPolarHBondContact O-CB 3.28Å; G710-Q714 PolarHBondContact O-N 3.26Å; L711-Q714 PolarHBondContact O-N 3.09Å; L711-Q714 VanDerWaalsContact O-N 3.13Å; I712-Q714 VanDerWaalsContact C-N 3.33Å; I712-Q714 PolarHBondContact O-N 3.31Å |
| 715 | F | 77.8 | Confident | 84.2 | Confident | 145 Ų | 145 | 54.1 Ų | 54.1 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -98.7 | -25 | -177.1 | -65.6 | -65.7 | 0 | 0 | 0 | 113.9 | L711 R717 | L711-F715 HydrophobicContact CD2-CE2 3.87Å; L711-F715 VanDerWaalsContact O-CD2 3.26Å; L711-F715 WeakPolarHBondContact O-CD2 3.12Å; L711-F715 PolarHBondContact O-N 3.3Å; F715-R717 PolarHBondContact O-N 3.18Å; F715-R717 VanDerWaalsContact O-N 3.09Å |
| 716 | S | 78.9 | Confident | 84.2 | Confident | 49 Ų | 49 | 54 Ų | 54 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | trans | -87.3 | 67.8 | -177.1 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | I712 K718 L719 | I712-S716 WeakPolarHBondContact O-CB 3.27Å; I712-S716 PolarHBondContact O-N 3.43Å; I712-S716 PolarHBondContact O-OG 2.99Å; S716-K718 PolarHBondContact O-N 3.22Å; S716-L719 VanDerWaalsContact O-CB 3.3Å; S716-L719 WeakPolarHBondContact O-CB 3.35Å; S716-L719 PolarHBondContact O-N 3.5Å | ||
| 717 | R | 65.7 | Low | 84.3 | Confident | 137 Ų | 137 | 55.7 Ų | 55.7 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -32.5 | -179 | -64.7 | -166.1 | -164 | 110.9 | 10.1 | 114.6 | E512 D513 F715 L719 | E512-R717 VanDerWaalsContact CD-CZ 3.42Å; E512-R717 VanDerWaalsContact CD-NE 3.3Å; E512-R717 IonicContact OE1-CZ 2.78Å; E512-R717 IonicContact OE1-NE 3.59Å; E512-R717 IonicContact OE1-NH2 3.77Å; E512-R717 PolarHBondContact OE1-NH2 3.15Å; E512-R717 IonicContact OE2-CZ 3.79Å; E512-R717 IonicContact OE2-NE 3.33Å; E512-R717 PolarHBondContact OE2-NE 3.03Å; E512-R717 IonicContact OE2-NH2 2.75Å; E512-R717 PolarHBondContact OE2-NH2 2.92Å; D513-R717 IonicContact OD1-CZ 3.99Å; D513-R717 IonicContact OD1-NH1 3.63Å; D513-R717 PolarHBondContact OD1-NH1 2.92Å; F715-R717 PolarHBondContact O-N 3.18Å; F715-R717 VanDerWaalsContact O-N 3.09Å; R717-L719 VanDerWaalsContact C-N 3.31Å; R717-L719 PolarHBondContact O-N 2.99Å |
| 718 | K | 71.8 | Confident | 84.5 | Confident | 172 Ų | 172 | 53.7 Ų | 53.7 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.3 | -179.5 | -65 | 179.3 | -179.7 | 173.1 | 0 | 114.2 | S716 | S716-K718 PolarHBondContact O-N 3.22Š|
| 719 | L | 75.7 | Confident | 84.6 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -82.9 | 116.5 | -176.6 | -174.5 | 66.9 | 0 | 0 | 0 | 110.1 | I712 S716 R717 I721 F724 | I712-L719 HydrophobicContact CG2-CD2 3.94Å; S716-L719 VanDerWaalsContact O-CB 3.3Å; S716-L719 WeakPolarHBondContact O-CB 3.35Å; S716-L719 PolarHBondContact O-N 3.5Å; R717-L719 VanDerWaalsContact C-N 3.31Å; R717-L719 PolarHBondContact O-N 2.99Å; L719-I721 PolarHBondContact O-N 2.74Å; L719-F724 HydrophobicContact CD1-CB 4.06Å; L719-F724 HydrophobicContact CD1-CD2 4.16Å; L719-F724 HydrophobicContact CD1-CG 4.35Å; L719-F724 HydrophobicContact CD2-CB 4.06Å; L719-F724 HydrophobicContact CD2-CD1 4.21Å; L719-F724 HydrophobicContact CD2-CD2 3.94Å; L719-F724 HydrophobicContact CD2-CE2 4.43Å; L719-F724 HydrophobicContact CD2-CG 3.81Å; L719-F724 HydrophobicContact CG-CB 4.03Å; L719-F724 HydrophobicContact CG-CD2 4.5Å; L719-F724 HydrophobicContact CG-CG 4.3Å |
| 720 | D | 83.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -70.5 | 104.2 | 168.7 | -161.6 | -44.9 | 0 | 0 | 0 | 109.4 | R722 L723 F724 K836 | D720-R722 PolarHBondContact O-N 3.19Å; D720-R722 WeakPolarHBondContact OD1-CB 3.18Å; D720-R722 WeakPolarHBondContact OD1-CG 3.46Å; D720-R722 PolarHBondContact OD1-N 2.94Å; D720-L723 HydrophobicContact CB-CB 4.34Å; D720-L723 PolarHBondContact O-N 3.36Å; D720-F724 PolarHBondContact O-N 3.16Å; D720-K836 IonicContact OD1-NZ 3.66Å; D720-K836 IonicContact OD2-NZ 2.8Å; D720-K836 PolarHBondContact OD2-NZ 2.97Å | ||
| 721 | I | 84.7 | Confident | 85.3 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -43.8 | -35.8 | 177.1 | -63.7 | 177.4 | 0 | 0 | 0 | 112.4 | L719 S725 F765 M769 | L719-I721 PolarHBondContact O-N 2.74Å; I721-S725 WeakPolarHBondContact O-CB 3.35Å; I721-S725 PolarHBondContact O-N 3.49Å; I721-S725 PolarHBondContact O-OG 2.75Å; I721-F765 HydrophobicContact CG2-CB 3.43Å; I721-F765 VanDerWaalsContact CG2-CB 3.43Å; I721-F765 HydrophobicContact CG2-CD1 4.03Å; I721-F765 HydrophobicContact CG2-CD2 3.6Å; I721-F765 HydrophobicContact CG2-CE2 4.34Å; I721-F765 HydrophobicContact CG2-CG 3.42Å; I721-F765 VanDerWaalsContact CG2-CG 3.42Å; I721-M769 HydrophobicContact CG2-CG 4.3Å |
| 722 | R | 87.4 | Confident | 85.6 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.7 | -48.2 | -179.1 | -55.6 | 175.7 | -166.2 | -158.2 | 3.4 | 111.1 | D720 F724 S725 A726 M769 D772 I829 A833 | D720-R722 PolarHBondContact O-N 3.19Å; D720-R722 WeakPolarHBondContact OD1-CB 3.18Å; D720-R722 WeakPolarHBondContact OD1-CG 3.46Å; D720-R722 PolarHBondContact OD1-N 2.94Å; R722-F724 VanDerWaalsContact C-N 3.34Å; R722-F724 PolarHBondContact O-N 3.31Å; R722-S725 PolarHBondContact O-N 3.25Å; R722-A726 PolarHBondContact O-N 3.27Å; R722-M769 HydrophobicContact CG-CG 4.5Å; R722-M769 HydrophobicContact CG-SD 4.11Å; R722-D772 IonicContact CZ-OD2 3.78Å; R722-D772 IonicContact NE-OD2 3.89Å; R722-D772 IonicContact NH2-OD2 2.81Å; R722-D772 PolarHBondContact NH2-OD2 3.14Å; R722-I829 HydrophobicContact CB-CG2 4.2Å; R722-I829 WeakPolarHBondContact O-CG2 3.21Å; R722-A833 HydrophobicContact CB-CB 4.09Å |
| 723 | L | 88 | Confident | 86 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 54% | 0.539 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 179.2 | -175.7 | 62.6 | 0 | 0 | 0 | 111.3 | D720 A726 A727 A833 | D720-L723 HydrophobicContact CB-CB 4.34Å; D720-L723 PolarHBondContact O-N 3.36Å; L723-A726 PolarHBondContact O-N 3.11Å; L723-A727 WeakPolarHBondContact O-CB 3.32Å; L723-A727 PolarHBondContact O-N 2.94Å; L723-A833 HydrophobicContact CB-CB 4.43Å |
| 724 | F | 91 | Very high | 86.7 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 21% | 0.211 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 173.6 | -177.6 | -108.1 | 0 | 0 | 0 | 111.9 | I709 L719 D720 R722 A726 A727 C728 P761 F765 | I709-F724 HydrophobicContact CG1-CE1 4.46Å; I709-F724 HydrophobicContact CG2-CE1 4.13Å; L719-F724 HydrophobicContact CD1-CB 4.06Å; L719-F724 HydrophobicContact CD1-CD2 4.16Å; L719-F724 HydrophobicContact CD1-CG 4.35Å; L719-F724 HydrophobicContact CD2-CB 4.06Å; L719-F724 HydrophobicContact CD2-CD1 4.21Å; L719-F724 HydrophobicContact CD2-CD2 3.94Å; L719-F724 HydrophobicContact CD2-CE2 4.43Å; L719-F724 HydrophobicContact CD2-CG 3.81Å; L719-F724 HydrophobicContact CG-CB 4.03Å; L719-F724 HydrophobicContact CG-CD2 4.5Å; L719-F724 HydrophobicContact CG-CG 4.3Å; D720-F724 PolarHBondContact O-N 3.16Å; R722-F724 VanDerWaalsContact C-N 3.34Å; R722-F724 PolarHBondContact O-N 3.31Å; F724-A726 PolarHBondContact O-N 3.01Å; F724-A727 PolarHBondContact O-N 3.37Å; F724-C728 PolarHBondContact O-N 2.84Å; F724-C728 PolarHBondContact O-SG 3.28Å; F724-C728 VanDerWaalsContact O-SG 3.32Å; F724-P761 HydrophobicContact CD1-CB 4.13Å; F724-P761 HydrophobicContact CD1-CG 4.1Å; F724-P761 HydrophobicContact CE1-CB 4.17Å; F724-P761 HydrophobicContact CE1-CG 3.74Å; F724-F765 AromaticContact CD1-CE2 3.92Å; F724-F765 HydrophobicContact CD1-CE2 3.92Å; F724-F765 HydrophobicContact CE1-CE2 4.13Å |
| 725 | S | 91.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | I721 R722 L729 | I721-S725 WeakPolarHBondContact O-CB 3.35Å; I721-S725 PolarHBondContact O-N 3.49Å; I721-S725 PolarHBondContact O-OG 2.75Å; R722-S725 PolarHBondContact O-N 3.25Å; S725-L729 WeakPolarHBondContact O-CG 3.31Å; S725-L729 PolarHBondContact O-N 2.89Å |
| 726 | A | 92.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R722 L723 F724 C728 L729 F730 I829 T830 | R722-A726 PolarHBondContact O-N 3.27Å; L723-A726 PolarHBondContact O-N 3.11Å; F724-A726 PolarHBondContact O-N 3.01Å; A726-C728 PolarHBondContact O-N 2.88Å; A726-L729 PolarHBondContact O-N 2.61Å; A726-F730 WeakPolarHBondContact O-CD2 3.32Å; A726-F730 PolarHBondContact O-N 3.25Å; A726-I829 HydrophobicContact CB-CB 4.23Å; A726-I829 HydrophobicContact CB-CG2 4Å; A726-T830 WeakPolarHBondContact CB-OG1 3.17Å |
| 727 | A | 93.7 | Very high | 89.1 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L723 F724 F730 I731 | L723-A727 WeakPolarHBondContact O-CB 3.32Å; L723-A727 PolarHBondContact O-N 2.94Å; F724-A727 PolarHBondContact O-N 3.37Å; A727-F730 PolarHBondContact O-N 2.94Å; A727-I731 WeakPolarHBondContact O-CG1 3.39Å; A727-I731 PolarHBondContact O-N 3.25Å; A727-I731 VanDerWaalsContact O-N 3.13Å |
| 728 | C | 94.3 | Very high | 90.4 | Very high | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 175.5 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | F724 A726 F730 I731 I732 F758 P761 | F724-C728 PolarHBondContact O-N 2.84Å; F724-C728 PolarHBondContact O-SG 3.28Å; F724-C728 VanDerWaalsContact O-SG 3.32Å; A726-C728 PolarHBondContact O-N 2.88Å; C728-F730 VanDerWaalsContact C-N 3.33Å; C728-F730 PolarHBondContact O-N 2.89Å; C728-I731 PolarHBondContact O-N 2.93Å; C728-I731 VanDerWaalsContact O-N 3.16Å; C728-I732 WeakPolarHBondContact O-CG1 3.36Å; C728-I732 PolarHBondContact O-N 3.21Å; C728-F758 HydrophobicContact CB-CB 4.05Å; C728-F758 HydrophobicContact CB-CD1 4.11Å; C728-F758 VanDerWaalsContact CB-O 3.22Å; C728-F758 WeakPolarHBondContact CB-O 3.34Å; C728-P761 HydrophobicContact CB-CG 3.96Å |
| 729 | L | 93.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -38.7 | 175.2 | -76 | 166.3 | 0 | 0 | 0 | 112.9 | S725 A726 I732 S733 I759 A826 | S725-L729 WeakPolarHBondContact O-CG 3.31Å; S725-L729 PolarHBondContact O-N 2.89Å; A726-L729 PolarHBondContact O-N 2.61Å; L729-I732 HydrophobicContact CD2-CD1 4.29Å; L729-I732 PolarHBondContact O-N 3.46Å; L729-S733 WeakPolarHBondContact O-CB 3.48Å; L729-S733 PolarHBondContact O-N 2.87Å; L729-S733 PolarHBondContact O-OG 3.16Å; L729-I759 HydrophobicContact CD2-CD1 3.91Å; L729-A826 HydrophobicContact CB-CB 3.77Å |
| 730 | F | 94.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 36.9 Ų | 36.9 | 30% | 0.303 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 173.3 | -82.1 | -63.1 | 0 | 0 | 0 | 112.3 | A726 A727 C728 S733 I734 I823 A826 I827 | A726-F730 WeakPolarHBondContact O-CD2 3.32Å; A726-F730 PolarHBondContact O-N 3.25Å; A727-F730 PolarHBondContact O-N 2.94Å; C728-F730 VanDerWaalsContact C-N 3.33Å; C728-F730 PolarHBondContact O-N 2.89Å; F730-S733 WeakPolarHBondContact O-CB 3.26Å; F730-S733 PolarHBondContact O-N 2.9Å; F730-I734 WeakPolarHBondContact O-CG1 3.36Å; F730-I734 PolarHBondContact O-N 2.83Å; F730-I823 HydrophobicContact CE1-CG2 4.43Å; F730-A826 HydrophobicContact CD1-CB 3.87Å; F730-A826 HydrophobicContact CD2-CB 3.72Å; F730-A826 HydrophobicContact CE1-CB 3.82Å; F730-A826 HydrophobicContact CE2-CB 3.67Å; F730-A826 HydrophobicContact CG-CB 3.82Å; F730-A826 HydrophobicContact CZ-CB 3.72Å; F730-I827 HydrophobicContact CE1-CG1 4.3Å; F730-I827 HydrophobicContact CZ-CG1 3.95Å |
| 731 | I | 95.1 | Very high | 92.4 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 42% | 0.415 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.7 | -66.1 | 164.4 | 0 | 0 | 0 | 110.8 | A727 C728 S733 H735 F758 | A727-I731 WeakPolarHBondContact O-CG1 3.39Å; A727-I731 PolarHBondContact O-N 3.25Å; A727-I731 VanDerWaalsContact O-N 3.13Å; C728-I731 PolarHBondContact O-N 2.93Å; C728-I731 VanDerWaalsContact O-N 3.16Å; I731-S733 VanDerWaalsContact C-N 3.35Å; I731-S733 PolarHBondContact O-N 3.44Å; I731-H735 PolarHBondContact O-N 3.06Å; I731-H735 VanDerWaalsContact O-N 3.12Å; I731-F758 HydrophobicContact CB-CD2 4.48Å; I731-F758 HydrophobicContact CD1-CE1 4.21Å; I731-F758 HydrophobicContact CD1-CZ 4.48Å; I731-F758 HydrophobicContact CG2-CD2 3.69Å; I731-F758 HydrophobicContact CG2-CE1 4.49Å; I731-F758 HydrophobicContact CG2-CE2 3.58Å; I731-F758 HydrophobicContact CG2-CG 4.24Å; I731-F758 HydrophobicContact CG2-CZ 4.01Å |
| 732 | I | 94.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -50.4 | 173.8 | -59.5 | 164.3 | 0 | 0 | 0 | 110.1 | C728 L729 I734 H735 T736 Y755 F758 I759 | C728-I732 WeakPolarHBondContact O-CG1 3.36Å; C728-I732 PolarHBondContact O-N 3.21Å; L729-I732 HydrophobicContact CD2-CD1 4.29Å; L729-I732 PolarHBondContact O-N 3.46Å; I732-I734 VanDerWaalsContact C-N 3.3Å; I732-I734 PolarHBondContact O-N 2.87Å; I732-H735 CarbonylContact O-C 3.58Å; I732-H735 PolarHBondContact O-N 2.89Å; I732-T736 PolarHBondContact O-N 2.91Å; I732-T736 PolarHBondContact O-OG1 3.48Å; I732-T736 VanDerWaalsContact O-OG1 3.13Å; I732-Y755 HydrophobicContact CG2-CD2 3.38Å; I732-Y755 HydrophobicContact CG2-CE2 3.64Å; I732-Y755 HydrophobicContact CG2-CG 4.11Å; I732-F758 HydrophobicContact CD1-CB 3.86Å; I732-F758 HydrophobicContact CG1-CB 3.4Å; I732-F758 VanDerWaalsContact CG1-CB 3.4Å; I732-I759 HydrophobicContact CD1-CB 3.88Å; I732-I759 HydrophobicContact CD1-CD1 3.79Å; I732-I759 HydrophobicContact CD1-CG1 4.44Å; I732-I759 VanDerWaalsContact CD1-N 3.34Å |
| 733 | S | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.4 | -45.8 | -174.8 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | L729 F730 I731 H735 T736 I737 N822 I823 | L729-S733 WeakPolarHBondContact O-CB 3.48Å; L729-S733 PolarHBondContact O-N 2.87Å; L729-S733 PolarHBondContact O-OG 3.16Å; F730-S733 WeakPolarHBondContact O-CB 3.26Å; F730-S733 PolarHBondContact O-N 2.9Å; I731-S733 VanDerWaalsContact C-N 3.35Å; I731-S733 PolarHBondContact O-N 3.44Å; S733-H735 VanDerWaalsContact C-N 3.35Å; S733-T736 PolarHBondContact O-N 3.09Å; S733-I737 WeakPolarHBondContact O-CB 3.44Å; S733-I737 VanDerWaalsContact O-CG1 3.3Å; S733-I737 WeakPolarHBondContact O-CG1 3.39Å; S733-I737 PolarHBondContact O-N 3.27Å; S733-N822 WeakPolarHBondContact OG-CB 3.45Å; S733-I823 PolarHBondContact OG-N 2.79Å |
| 734 | I | 95.1 | Very high | 92.9 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 51% | 0.508 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -44.4 | 176.6 | -67.3 | 165.8 | 0 | 0 | 0 | 110 | F730 I732 I737 I738 | F730-I734 WeakPolarHBondContact O-CG1 3.36Å; F730-I734 PolarHBondContact O-N 2.83Å; I732-I734 VanDerWaalsContact C-N 3.3Å; I732-I734 PolarHBondContact O-N 2.87Å; I734-I737 PolarHBondContact O-N 2.78Å; I734-I738 HydrophobicContact CG2-CD1 3.63Å; I734-I738 HydrophobicContact CG2-CG1 4.46Å; I734-I738 VanDerWaalsContact O-CG1 3.32Å; I734-I738 WeakPolarHBondContact O-CG1 3.36Å; I734-I738 PolarHBondContact O-N 2.86Å |
| 735 | H | 94.7 | Very high | 92.9 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 179.5 | -159.5 | 178.5 | 0 | 0 | 0 | 112.8 | I731 I732 S733 I737 I738 M739 Y751 S754 | I731-H735 PolarHBondContact O-N 3.06Å; I731-H735 VanDerWaalsContact O-N 3.12Å; I732-H735 CarbonylContact O-C 3.58Å; I732-H735 PolarHBondContact O-N 2.89Å; S733-H735 VanDerWaalsContact C-N 3.35Å; H735-I737 PolarHBondContact O-N 3.42Å; H735-I738 PolarHBondContact O-N 2.81Å; H735-M739 WeakPolarHBondContact O-CB 3.44Å; H735-M739 PolarHBondContact O-N 2.91Å; H735-Y751 HydrophobicContact CB-CD2 4.34Å; H735-Y751 VanDerWaalsContact CE1-CA 3.43Å; H735-Y751 WeakPolarHBondContact CE1-CA 3.48Å; H735-Y751 AromaticContact CG-CD2 3.87Å; H735-S754 PolarHBondContact CE1-OG 2.84Å; H735-S754 PolarHBondContact ND1-OG 2.88Å |
| 736 | T | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.2 | -34.5 | 173.5 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | I732 S733 P740 Y751 F815 A818 | I732-T736 PolarHBondContact O-N 2.91Å; I732-T736 PolarHBondContact O-OG1 3.48Å; I732-T736 VanDerWaalsContact O-OG1 3.13Å; S733-T736 PolarHBondContact O-N 3.09Å; T736-P740 VanDerWaalsContact O-CD 3.28Å; T736-P740 WeakPolarHBondContact O-CD 3.37Å; T736-Y751 WeakPolarHBondContact CG2-OH 3.39Å; T736-Y751 WeakPolarHBondContact OG1-CE2 3.38Å; T736-Y751 PolarHBondContact OG1-OH 3Å; T736-F815 HydrophobicContact CG2-CB 4.34Å; T736-F815 HydrophobicContact CG2-CD1 4.28Å; T736-F815 WeakPolarHBondContact CG2-O 3.41Å; T736-A818 HydrophobicContact CG2-CB 4.12Å |
| 737 | I | 94.4 | Very high | 93 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.4 | -39.4 | 175.5 | -72.9 | 167.2 | 0 | 0 | 0 | 112 | S733 I734 H735 F741 L816 I823 | S733-I737 WeakPolarHBondContact O-CB 3.44Å; S733-I737 VanDerWaalsContact O-CG1 3.3Å; S733-I737 WeakPolarHBondContact O-CG1 3.39Å; S733-I737 PolarHBondContact O-N 3.27Å; I734-I737 PolarHBondContact O-N 2.78Å; H735-I737 PolarHBondContact O-N 3.42Å; I737-F741 WeakPolarHBondContact O-CD2 3.38Å; I737-F741 VanDerWaalsContact O-CE2 3.24Å; I737-F741 WeakPolarHBondContact O-CE2 3.3Å; I737-L816 HydrophobicContact CB-CD2 4.25Å; I737-L816 HydrophobicContact CG1-CD2 4.16Å; I737-L816 HydrophobicContact CG2-CD2 3.8Å; I737-I823 HydrophobicContact CD1-CD1 3.74Å |
| 738 | I | 93.7 | Very high | 93 | Very high | 87 Ų | 87 | 51 Ų | 51 | 45% | 0.446 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.7 | -37.1 | -176.8 | -68.7 | 171 | 0 | 0 | 0 | 112.5 | I734 H735 P740 F741 | I734-I738 HydrophobicContact CG2-CD1 3.63Å; I734-I738 HydrophobicContact CG2-CG1 4.46Å; I734-I738 VanDerWaalsContact O-CG1 3.32Å; I734-I738 WeakPolarHBondContact O-CG1 3.36Å; I734-I738 PolarHBondContact O-N 2.86Å; H735-I738 PolarHBondContact O-N 2.81Å; I738-P740 VanDerWaalsContact C-CD 3.48Å; I738-F741 PolarHBondContact O-N 3.05Å; I738-F741 VanDerWaalsContact O-N 3.13Å |
| 739 | M | 92.5 | Very high | 93 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -52.1 | -44 | -171.8 | 173.9 | -79 | -66.4 | 0 | 0 | 114.5 | F680 H735 F741 Y742 L748 Y751 F815 | F680-M739 HydrophobicContact CD1-CE 4.28Å; F680-M739 HydrophobicContact CD1-SD 3.9Å; F680-M739 HydrophobicContact CE1-CE 4.2Å; F680-M739 HydrophobicContact CE1-SD 3.38Å; F680-M739 WeakPolarHBondContact CE1-SD 3.34Å; F680-M739 HydrophobicContact CZ-SD 4.36Å; H735-M739 WeakPolarHBondContact O-CB 3.44Å; H735-M739 PolarHBondContact O-N 2.91Å; M739-F741 PolarHBondContact O-N 3.45Å; M739-F741 VanDerWaalsContact O-N 3.14Å; M739-Y742 CarbonylContact O-C 3.53Å; M739-Y742 PolarHBondContact O-N 2.92Å; M739-L748 HydrophobicContact CG-CD2 4.31Å; M739-L748 HydrophobicContact SD-CD2 3.66Å; M739-Y751 HydrophobicContact CB-CD2 3.98Å; M739-Y751 HydrophobicContact CB-CG 4.01Å; M739-Y751 HydrophobicContact CE-CD1 3.86Å; M739-Y751 HydrophobicContact CE-CE1 3.69Å; M739-Y751 HydrophobicContact CE-CG 4.41Å; M739-Y751 HydrophobicContact CG-CD1 3.9Å; M739-Y751 HydrophobicContact CG-CD2 4.12Å; M739-Y751 HydrophobicContact CG-CG 3.62Å; M739-Y751 HydrophobicContact SD-CD1 4.44Å; M739-F815 HydrophobicContact CE-CB 4.42Å; M739-F815 HydrophobicContact CE-CD1 3.61Å; M739-F815 HydrophobicContact CE-CD2 3.86Å; M739-F815 HydrophobicContact CE-CE1 3.75Å; M739-F815 HydrophobicContact CE-CE2 4Å; M739-F815 HydrophobicContact CE-CG 3.68Å; M739-F815 HydrophobicContact CE-CZ 3.95Å |
| 740 | P | 90.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -63.9 | -19.7 | -178 | -23.7 | 34.4 | 0 | 0 | 0 | 115.3 | F680 T736 I738 Y742 A812 F815 | F680-P740 HydrophobicContact CZ-CB 4.22Å; T736-P740 VanDerWaalsContact O-CD 3.28Å; T736-P740 WeakPolarHBondContact O-CD 3.37Å; I738-P740 VanDerWaalsContact C-CD 3.48Å; P740-Y742 VanDerWaalsContact C-N 3.33Å; P740-A812 HydrophobicContact CB-CB 3.78Å; P740-F815 HydrophobicContact CG-CB 3.52Å; P740-F815 HydrophobicContact CG-CD2 4.16Å; P740-F815 HydrophobicContact CG-CG 4.08Å |
| 741 | F | 89.7 | Confident | 93.1 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -77.9 | -17.7 | 179.7 | -65.3 | -78.7 | 0 | 0 | 0 | 113.3 | I737 I738 M739 | I737-F741 WeakPolarHBondContact O-CD2 3.38Å; I737-F741 VanDerWaalsContact O-CE2 3.24Å; I737-F741 WeakPolarHBondContact O-CE2 3.3Å; I738-F741 PolarHBondContact O-N 3.05Å; I738-F741 VanDerWaalsContact O-N 3.13Å; M739-F741 PolarHBondContact O-N 3.45Å; M739-F741 VanDerWaalsContact O-N 3.14Å |
| 742 | Y | 90 | Very high | 93 | Very high | 167 Ų | 167 | 47.3 Ų | 47.3 | 66% | 0.655 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -138 | 68.3 | -178.9 | -59.4 | -80.7 | 0 | 0 | 0 | 111 | M739 P740 T744 S747 | M739-Y742 CarbonylContact O-C 3.53Å; M739-Y742 PolarHBondContact O-N 2.92Å; P740-Y742 VanDerWaalsContact C-N 3.33Å; Y742-T744 VanDerWaalsContact C-N 3.26Å; Y742-T744 PolarHBondContact O-N 2.98Å; Y742-S747 WeakPolarHBondContact O-CB 3.49Å; Y742-S747 PolarHBondContact O-OG 3.4Å |
| 743 | P | 87.4 | Confident | 93 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 31% | 0.312 | 26% | 0.263 | S | S | . | . | trans | -82.1 | 61.1 | -170.6 | 35.4 | -37.9 | 0 | 0 | 0 | 113.4 | F680 S684 | F680-P743 HydrophobicContact CE1-CB 3.85Å; F680-P743 HydrophobicContact CZ-CB 3.71Å; F680-P743 HydrophobicContact CZ-CG 4.44Å; S684-P743 WeakPolarHBondContact OG-CB 3.32Å | ||
| 744 | T | 92.2 | Very high | 93 | Very high | 79 Ų | 79 | 51 Ų | 51 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | trans | -84.5 | 158.5 | 171.1 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | Y742 S746 S747 L748 | Y742-T744 VanDerWaalsContact C-N 3.26Å; Y742-T744 PolarHBondContact O-N 2.98Å; T744-S746 VanDerWaalsContact C-N 3.27Å; T744-S746 PolarHBondContact O-N 3.39Å; T744-S747 PolarHBondContact N-OG 3.22Å; T744-S747 PolarHBondContact O-N 3.26Å; T744-S747 PolarHBondContact O-OG 2.69Å; T744-S747 WeakPolarHBondContact OG1-CB 3.5Å; T744-S747 PolarHBondContact OG1-N 3.22Å; T744-S747 VanDerWaalsContact OG1-N 3.11Å; T744-S747 PolarHBondContact OG1-OG 3.46Å; T744-L748 WeakPolarHBondContact O-CB 3.34Å; T744-L748 VanDerWaalsContact O-CG 3.29Å; T744-L748 WeakPolarHBondContact O-CG 3.27Å; T744-L748 PolarHBondContact O-N 3.12Å | ||
| 745 | Y | 92.6 | Very high | 93 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.5 | -42.8 | 175.2 | -173.5 | -121.9 | 0 | 0 | 0 | 112.6 | L686 K690 L694 L748 I749 | L686-Y745 HydrophobicContact CD1-CD2 3.85Å; L686-Y745 HydrophobicContact CD2-CD2 3.97Å; L686-Y745 HydrophobicContact CD2-CG 4.29Å; K690-Y745 HydrophobicContact CB-CD2 4.22Å; K690-Y745 HydrophobicContact CB-CE2 3.73Å; K690-Y745 HydrophobicContact CD-CD2 4.48Å; K690-Y745 HydrophobicContact CD-CE2 4.36Å; K690-Y745 HydrophobicContact CG-CE2 4.28Å; L694-Y745 HydrophobicContact CD2-CD2 4.35Å; L694-Y745 HydrophobicContact CD2-CE2 4.1Å; Y745-L748 PolarHBondContact O-N 3.29Å; Y745-I749 HydrophobicContact CD1-CD1 3.96Å; Y745-I749 HydrophobicContact CD2-CD1 4.44Å; Y745-I749 HydrophobicContact CE1-CD1 3.5Å; Y745-I749 HydrophobicContact CE2-CD1 4.02Å; Y745-I749 HydrophobicContact CE2-CG1 4.43Å; Y745-I749 HydrophobicContact CG-CD1 4.42Å; Y745-I749 WeakPolarHBondContact O-CG1 3.44Å; Y745-I749 PolarHBondContact O-N 3.11Å |
| 746 | S | 92.9 | Very high | 92.9 | Very high | 90 Ų | 90 | 44 Ų | 44 | 63% | 0.629 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -69 | -39.7 | -178.8 | -54.2 | 0 | 0 | 0 | 0 | 113 | T744 I749 A750 | T744-S746 VanDerWaalsContact C-N 3.27Å; T744-S746 PolarHBondContact O-N 3.39Å; S746-I749 PolarHBondContact O-N 2.97Å; S746-A750 WeakPolarHBondContact O-CB 3.49Å; S746-A750 PolarHBondContact O-N 3Å |
| 747 | S | 92.7 | Very high | 92.8 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | Y742 T744 A750 Y751 | Y742-S747 WeakPolarHBondContact O-CB 3.49Å; Y742-S747 PolarHBondContact O-OG 3.4Å; T744-S747 PolarHBondContact N-OG 3.22Å; T744-S747 PolarHBondContact O-N 3.26Å; T744-S747 PolarHBondContact O-OG 2.69Å; T744-S747 WeakPolarHBondContact OG1-CB 3.5Å; T744-S747 PolarHBondContact OG1-N 3.22Å; T744-S747 VanDerWaalsContact OG1-N 3.11Å; T744-S747 PolarHBondContact OG1-OG 3.46Å; S747-A750 PolarHBondContact O-N 2.72Å; S747-Y751 VanDerWaalsContact O-CB 3.3Å; S747-Y751 WeakPolarHBondContact O-CB 3.43Å; S747-Y751 PolarHBondContact O-N 2.67Å |
| 748 | L | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 171.9 | -70.7 | 166.1 | 0 | 0 | 0 | 111.3 | F677 F680 L686 L694 M739 T744 Y745 Y751 G752 | F677-L748 HydrophobicContact CD2-CD2 4.38Å; F677-L748 HydrophobicContact CE2-CB 4.3Å; F677-L748 HydrophobicContact CE2-CD2 3.73Å; F677-L748 WeakPolarHBondContact CZ-O 3.41Å; F680-L748 HydrophobicContact CD1-CD2 3.78Å; F680-L748 HydrophobicContact CE1-CD2 3.86Å; L686-L748 HydrophobicContact CD1-CD1 3.63Å; L686-L748 HydrophobicContact CG-CD1 4.44Å; L694-L748 HydrophobicContact CD1-CB 4.18Å; L694-L748 HydrophobicContact CD1-CD1 4.34Å; L694-L748 HydrophobicContact CD2-CB 3.9Å; M739-L748 HydrophobicContact CG-CD2 4.31Å; M739-L748 HydrophobicContact SD-CD2 3.66Å; T744-L748 WeakPolarHBondContact O-CB 3.34Å; T744-L748 VanDerWaalsContact O-CG 3.29Å; T744-L748 WeakPolarHBondContact O-CG 3.27Å; T744-L748 PolarHBondContact O-N 3.12Å; Y745-L748 PolarHBondContact O-N 3.29Å; L748-Y751 PolarHBondContact O-N 2.86Å; L748-G752 PolarHBondContact O-N 2.86Å |
| 749 | I | 94.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 15% | 0.154 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 172.5 | -70.4 | 171.7 | 0 | 0 | 0 | 111.3 | L694 Y697 Y745 S746 Y751 G752 I753 | L694-I749 HydrophobicContact CD2-CG1 3.83Å; Y697-I749 HydrophobicContact CD1-CG2 4.44Å; Y697-I749 HydrophobicContact CD2-CD1 4.12Å; Y697-I749 HydrophobicContact CD2-CG1 3.88Å; Y697-I749 HydrophobicContact CD2-CG2 4.49Å; Y697-I749 HydrophobicContact CE2-CD1 3.69Å; Y697-I749 HydrophobicContact CE2-CG1 3.99Å; Y697-I749 HydrophobicContact CG-CG2 4.32Å; Y745-I749 HydrophobicContact CD1-CD1 3.96Å; Y745-I749 HydrophobicContact CD2-CD1 4.44Å; Y745-I749 HydrophobicContact CE1-CD1 3.5Å; Y745-I749 HydrophobicContact CE2-CD1 4.02Å; Y745-I749 HydrophobicContact CE2-CG1 4.43Å; Y745-I749 HydrophobicContact CG-CD1 4.42Å; Y745-I749 WeakPolarHBondContact O-CG1 3.44Å; Y745-I749 PolarHBondContact O-N 3.11Å; S746-I749 PolarHBondContact O-N 2.97Å; I749-Y751 VanDerWaalsContact C-N 3.28Å; I749-Y751 PolarHBondContact O-N 3.15Å; I749-G752 PolarHBondContact O-N 3.42Å; I749-I753 HydrophobicContact CG2-CD1 3.6Å; I749-I753 HydrophobicContact CG2-CG1 4.26Å; I749-I753 WeakPolarHBondContact O-CB 3Å; I749-I753 WeakPolarHBondContact O-CG1 3.1Å; I749-I753 PolarHBondContact O-N 3.05Å |
| 750 | A | 94.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 44 Ų | 44 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60 | -39.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | S746 S747 S754 | S746-A750 WeakPolarHBondContact O-CB 3.49Å; S746-A750 PolarHBondContact O-N 3Å; S747-A750 PolarHBondContact O-N 2.72Å; A750-S754 VanDerWaalsContact O-CB 3.28Å; A750-S754 WeakPolarHBondContact O-CB 3.36Å; A750-S754 PolarHBondContact O-N 2.79Å; A750-S754 PolarHBondContact O-OG 3.06Å |
| 751 | Y | 94.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -53 | 172.3 | 174.6 | -111.4 | 0 | 0 | 0 | 112 | L673 F677 H735 T736 M739 S747 L748 I749 I753 S754 Y755 F815 | L673-Y751 HydrophobicContact CD1-CD1 4.37Å; L673-Y751 HydrophobicContact CD1-CE1 3.46Å; L673-Y751 VanDerWaalsContact CD1-CE1 3.46Å; F677-Y751 HydrophobicContact CD2-CD1 4.25Å; F677-Y751 HydrophobicContact CD2-CE1 4.31Å; F677-Y751 AromaticContact CE2-CD1 3.65Å; F677-Y751 HydrophobicContact CE2-CD1 3.65Å; F677-Y751 HydrophobicContact CE2-CE1 4.16Å; F677-Y751 HydrophobicContact CZ-CD1 4.09Å; H735-Y751 HydrophobicContact CB-CD2 4.34Å; H735-Y751 VanDerWaalsContact CE1-CA 3.43Å; H735-Y751 WeakPolarHBondContact CE1-CA 3.48Å; H735-Y751 AromaticContact CG-CD2 3.87Å; T736-Y751 WeakPolarHBondContact CG2-OH 3.39Å; T736-Y751 WeakPolarHBondContact OG1-CE2 3.38Å; T736-Y751 PolarHBondContact OG1-OH 3Å; M739-Y751 HydrophobicContact CB-CD2 3.98Å; M739-Y751 HydrophobicContact CB-CG 4.01Å; M739-Y751 HydrophobicContact CE-CD1 3.86Å; M739-Y751 HydrophobicContact CE-CE1 3.69Å; M739-Y751 HydrophobicContact CE-CG 4.41Å; M739-Y751 HydrophobicContact CG-CD1 3.9Å; M739-Y751 HydrophobicContact CG-CD2 4.12Å; M739-Y751 HydrophobicContact CG-CG 3.62Å; M739-Y751 HydrophobicContact SD-CD1 4.44Å; S747-Y751 VanDerWaalsContact O-CB 3.3Å; S747-Y751 WeakPolarHBondContact O-CB 3.43Å; S747-Y751 PolarHBondContact O-N 2.67Å; L748-Y751 PolarHBondContact O-N 2.86Å; I749-Y751 VanDerWaalsContact C-N 3.28Å; I749-Y751 PolarHBondContact O-N 3.15Å; Y751-I753 VanDerWaalsContact C-N 3.31Å; Y751-I753 PolarHBondContact O-N 3.11Å; Y751-S754 PolarHBondContact O-N 3.45Å; Y751-S754 PolarHBondContact O-OG 3.28Å; Y751-S754 VanDerWaalsContact O-OG 3.08Å; Y751-Y755 HydrophobicContact CE2-CD2 4.01Å; Y751-Y755 AromaticContact CZ-CD2 3.77Å; Y751-Y755 WeakPolarHBondContact O-CB 3.18Å; Y751-Y755 PolarHBondContact O-N 3.47Å; Y751-Y755 WeakPolarHBondContact OH-CD2 3.48Å; Y751-F815 HydrophobicContact CE1-CE1 4.49Å |
| 752 | G | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.3 | -41.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L748 I749 S756 | L748-G752 PolarHBondContact O-N 2.86Å; I749-G752 PolarHBondContact O-N 3.42Å; G752-S756 VanDerWaalsContact O-CB 3.28Å; G752-S756 WeakPolarHBondContact O-CB 3.3Å; G752-S756 PolarHBondContact O-N 3.37Å; G752-S756 PolarHBondContact O-OG 2.92Å |
| 753 | I | 95 | Very high | 91.9 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.3 | -52.1 | 177.1 | -68.3 | 173.4 | 0 | 0 | 0 | 111.5 | S701 I749 Y751 S756 I757 | S701-I753 WeakPolarHBondContact OG-CA 3.27Å; I749-I753 HydrophobicContact CG2-CD1 3.6Å; I749-I753 HydrophobicContact CG2-CG1 4.26Å; I749-I753 WeakPolarHBondContact O-CB 3Å; I749-I753 WeakPolarHBondContact O-CG1 3.1Å; I749-I753 PolarHBondContact O-N 3.05Å; Y751-I753 VanDerWaalsContact C-N 3.31Å; Y751-I753 PolarHBondContact O-N 3.11Å; I753-S756 PolarHBondContact O-N 2.83Å; I753-I757 HydrophobicContact CG2-CD1 3.78Å; I753-I757 WeakPolarHBondContact O-CG1 3.44Å; I753-I757 PolarHBondContact O-N 2.89Å |
| 754 | S | 94.5 | Very high | 91.7 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | -176.9 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | H735 A750 Y751 S756 I757 F758 | H735-S754 PolarHBondContact CE1-OG 2.84Å; H735-S754 PolarHBondContact ND1-OG 2.88Å; A750-S754 VanDerWaalsContact O-CB 3.28Å; A750-S754 WeakPolarHBondContact O-CB 3.36Å; A750-S754 PolarHBondContact O-N 2.79Å; A750-S754 PolarHBondContact O-OG 3.06Å; Y751-S754 PolarHBondContact O-N 3.45Å; Y751-S754 PolarHBondContact O-OG 3.28Å; Y751-S754 VanDerWaalsContact O-OG 3.08Å; S754-S756 VanDerWaalsContact C-N 3.3Å; S754-S756 PolarHBondContact O-N 2.88Å; S754-I757 PolarHBondContact O-N 2.72Å; S754-F758 WeakPolarHBondContact O-CB 3.38Å; S754-F758 WeakPolarHBondContact O-CD2 3.43Å; S754-F758 PolarHBondContact O-N 3.47Å |
| 755 | Y | 93.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53 | -51.4 | 173.7 | -175.4 | -72.9 | 0 | 0 | 0 | 110.4 | D670 L673 I732 Y751 I757 F758 I759 | D670-Y755 WeakPolarHBondContact CA-OH 3.27Å; D670-Y755 PolarHBondContact N-OH 2.93Å; D670-Y755 PolarHBondContact OD1-OH 2.97Å; D670-Y755 VanDerWaalsContact OD1-OH 3.05Å; L673-Y755 HydrophobicContact CB-CE2 4.45Å; L673-Y755 HydrophobicContact CD2-CD1 3.44Å; L673-Y755 VanDerWaalsContact CD2-CD1 3.44Å; L673-Y755 HydrophobicContact CD2-CD2 4.28Å; L673-Y755 HydrophobicContact CD2-CE1 3.42Å; L673-Y755 VanDerWaalsContact CD2-CE1 3.42Å; L673-Y755 HydrophobicContact CD2-CE2 4.24Å; L673-Y755 HydrophobicContact CD2-CG 3.9Å; I732-Y755 HydrophobicContact CG2-CD2 3.38Å; I732-Y755 HydrophobicContact CG2-CE2 3.64Å; I732-Y755 HydrophobicContact CG2-CG 4.11Å; Y751-Y755 HydrophobicContact CE2-CD2 4.01Å; Y751-Y755 AromaticContact CZ-CD2 3.77Å; Y751-Y755 WeakPolarHBondContact O-CB 3.18Å; Y751-Y755 PolarHBondContact O-N 3.47Å; Y751-Y755 WeakPolarHBondContact OH-CD2 3.48Å; Y755-I757 PolarHBondContact O-N 2.6Å; Y755-F758 PolarHBondContact O-N 3.12Å; Y755-I759 HydrophobicContact CD1-CB 4.32Å; Y755-I759 HydrophobicContact CD1-CG2 4.19Å; Y755-I759 HydrophobicContact CE1-CB 4.16Å; Y755-I759 HydrophobicContact CE1-CG1 4.27Å; Y755-I759 HydrophobicContact CE1-CG2 4.17Å; Y755-I759 VanDerWaalsContact O-CB 3.28Å; Y755-I759 WeakPolarHBondContact O-CB 3.45Å; Y755-I759 VanDerWaalsContact O-CG2 3.31Å; Y755-I759 WeakPolarHBondContact O-CG2 3.31Å; Y755-I759 PolarHBondContact O-N 3.47Å |
| 756 | S | 92.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.1 | -34.1 | -176.1 | -63.5 | 0 | 0 | 0 | 0 | 114.2 | V698 S701 G752 I753 S754 | V698-S756 WeakPolarHBondContact CA-OG 3.18Å; V698-S756 WeakPolarHBondContact CG1-OG 3.38Å; V698-S756 PolarHBondContact O-OG 3.42Å; S701-S756 WeakPolarHBondContact OG-CB 3.4Å; S701-S756 PolarHBondContact OG-OG 3.11Å; G752-S756 VanDerWaalsContact O-CB 3.28Å; G752-S756 WeakPolarHBondContact O-CB 3.3Å; G752-S756 PolarHBondContact O-N 3.37Å; G752-S756 PolarHBondContact O-OG 2.92Å; I753-S756 PolarHBondContact O-N 2.83Å; S754-S756 VanDerWaalsContact C-N 3.3Å; S754-S756 PolarHBondContact O-N 2.88Å |
| 757 | I | 93.3 | Very high | 90.1 | Very high | 64 Ų | 64 | 18.4 Ų | 18.4 | 33% | 0.328 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -69.5 | -54.6 | 172.6 | -68.4 | 168.6 | 0 | 0 | 0 | 109.4 | I709 I753 S754 Y755 I759 G760 | I709-I757 WeakPolarHBondContact CD1-O 3.33Å; I753-I757 HydrophobicContact CG2-CD1 3.78Å; I753-I757 WeakPolarHBondContact O-CG1 3.44Å; I753-I757 PolarHBondContact O-N 2.89Å; S754-I757 PolarHBondContact O-N 2.72Å; Y755-I757 PolarHBondContact O-N 2.6Å; I757-I759 PolarHBondContact O-N 3.3Å; I757-G760 PolarHBondContact O-N 3.21Å |
| 758 | F | 93.4 | Very high | 89.4 | Confident | 66 Ų | 66 | 18 Ų | 18 | 29% | 0.289 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -74.3 | -19.9 | -172.6 | -67.2 | -58.5 | 0 | 0 | 0 | 114 | C728 I731 I732 S754 Y755 G760 P761 | C728-F758 HydrophobicContact CB-CB 4.05Å; C728-F758 HydrophobicContact CB-CD1 4.11Å; C728-F758 VanDerWaalsContact CB-O 3.22Å; C728-F758 WeakPolarHBondContact CB-O 3.34Å; I731-F758 HydrophobicContact CB-CD2 4.48Å; I731-F758 HydrophobicContact CD1-CE1 4.21Å; I731-F758 HydrophobicContact CD1-CZ 4.48Å; I731-F758 HydrophobicContact CG2-CD2 3.69Å; I731-F758 HydrophobicContact CG2-CE1 4.49Å; I731-F758 HydrophobicContact CG2-CE2 3.58Å; I731-F758 HydrophobicContact CG2-CG 4.24Å; I731-F758 HydrophobicContact CG2-CZ 4.01Å; I732-F758 HydrophobicContact CD1-CB 3.86Å; I732-F758 HydrophobicContact CG1-CB 3.4Å; I732-F758 VanDerWaalsContact CG1-CB 3.4Å; S754-F758 WeakPolarHBondContact O-CB 3.38Å; S754-F758 WeakPolarHBondContact O-CD2 3.43Å; S754-F758 PolarHBondContact O-N 3.47Å; Y755-F758 PolarHBondContact O-N 3.12Å; F758-G760 VanDerWaalsContact C-N 3.26Å; F758-P761 WeakPolarHBondContact O-CD 3.24Å |
| 759 | I | 91.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.015 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.3 | 170.2 | -156.9 | 65.3 | 0 | 0 | 0 | 111.8 | L729 I732 Y755 I757 S762 F763 | L729-I759 HydrophobicContact CD2-CD1 3.91Å; I732-I759 HydrophobicContact CD1-CB 3.88Å; I732-I759 HydrophobicContact CD1-CD1 3.79Å; I732-I759 HydrophobicContact CD1-CG1 4.44Å; I732-I759 VanDerWaalsContact CD1-N 3.34Å; Y755-I759 HydrophobicContact CD1-CB 4.32Å; Y755-I759 HydrophobicContact CD1-CG2 4.19Å; Y755-I759 HydrophobicContact CE1-CB 4.16Å; Y755-I759 HydrophobicContact CE1-CG1 4.27Å; Y755-I759 HydrophobicContact CE1-CG2 4.17Å; Y755-I759 VanDerWaalsContact O-CB 3.28Å; Y755-I759 WeakPolarHBondContact O-CB 3.45Å; Y755-I759 VanDerWaalsContact O-CG2 3.31Å; Y755-I759 WeakPolarHBondContact O-CG2 3.31Å; Y755-I759 PolarHBondContact O-N 3.47Å; I757-I759 PolarHBondContact O-N 3.3Å; I759-S762 WeakPolarHBondContact O-CB 3.47Å; I759-S762 PolarHBondContact O-N 2.83Å; I759-F763 HydrophobicContact CG1-CD2 4.06Å; I759-F763 HydrophobicContact CG1-CE2 3.73Å; I759-F763 HydrophobicContact CG2-CD2 4.3Å; I759-F763 HydrophobicContact CG2-CE2 4.21Å; I759-F763 PolarHBondContact O-N 2.9Å |
| 760 | G | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -46.8 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | I757 F758 S762 F763 A764 | I757-G760 PolarHBondContact O-N 3.21Å; F758-G760 VanDerWaalsContact C-N 3.26Å; G760-S762 PolarHBondContact O-N 2.79Å; G760-F763 PolarHBondContact O-N 3.38Å; G760-A764 WeakPolarHBondContact O-CB 3.42Å; G760-A764 PolarHBondContact O-N 2.82Å |
| 761 | P | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 179 | -16.3 | 32.5 | 0 | 0 | 0 | 111.5 | I709 F724 C728 F758 F763 A764 F765 | I709-P761 HydrophobicContact CD1-CG 3.98Å; I709-P761 HydrophobicContact CG2-CB 4.21Å; I709-P761 HydrophobicContact CG2-CG 4.05Å; F724-P761 HydrophobicContact CD1-CB 4.13Å; F724-P761 HydrophobicContact CD1-CG 4.1Å; F724-P761 HydrophobicContact CE1-CB 4.17Å; F724-P761 HydrophobicContact CE1-CG 3.74Å; C728-P761 HydrophobicContact CB-CG 3.96Å; F758-P761 WeakPolarHBondContact O-CD 3.24Å; P761-F763 PolarHBondContact O-N 3.01Å; P761-A764 PolarHBondContact O-N 3.39Å; P761-F765 HydrophobicContact CB-CD2 3.63Å; P761-F765 HydrophobicContact CB-CE2 3.79Å; P761-F765 VanDerWaalsContact O-CB 3.3Å; P761-F765 WeakPolarHBondContact O-CB 3.49Å; P761-F765 WeakPolarHBondContact O-CD2 3.21Å; P761-F765 PolarHBondContact O-N 2.82Å |
| 762 | S | 86.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 19.7 Ų | 19.7 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -24.5 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | R663 I759 G760 S766 | R663-S762 PolarHBondContact NH1-O 3.38Å; R663-S762 PolarHBondContact NH2-O 2.78Å; I759-S762 WeakPolarHBondContact O-CB 3.47Å; I759-S762 PolarHBondContact O-N 2.83Å; G760-S762 PolarHBondContact O-N 2.79Å; S762-S766 VanDerWaalsContact O-CB 3.28Å; S762-S766 WeakPolarHBondContact O-CB 3.47Å; S762-S766 PolarHBondContact O-OG 3.15Å |
| 763 | F | 84.7 | Confident | 85.3 | Confident | 19 Ų | 19 | 20.2 Ų | 20.2 | 8% | 0.083 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -90.8 | -52.2 | 171.8 | -76.9 | -89.7 | 0 | 0 | 0 | 112.9 | Y667 D670 R706 I759 G760 P761 F765 | Y667-F763 AromaticContact CE2-CE1 3.93Å; Y667-F763 HydrophobicContact CE2-CE1 3.93Å; Y667-F763 HydrophobicContact CE2-CE2 4.43Å; Y667-F763 AromaticContact CE2-CZ 3.71Å; Y667-F763 HydrophobicContact CE2-CZ 3.71Å; Y667-F763 AromaticContact CZ-CE1 3.69Å; Y667-F763 AromaticContact CZ-CZ 3.89Å; Y667-F763 WeakPolarHBondContact OH-CE1 3.43Å; D670-F763 VanDerWaalsContact OD2-CE2 3.29Å; D670-F763 WeakPolarHBondContact OD2-CE2 3.39Å; D670-F763 WeakPolarHBondContact OD2-CZ 3.04Å; R706-F763 VanDerWaalsContact NH2-CD1 3.28Å; R706-F763 VanDerWaalsContact NH2-CZ 3.33Å; I759-F763 HydrophobicContact CG1-CD2 4.06Å; I759-F763 HydrophobicContact CG1-CE2 3.73Å; I759-F763 HydrophobicContact CG2-CD2 4.3Å; I759-F763 HydrophobicContact CG2-CE2 4.21Å; I759-F763 PolarHBondContact O-N 2.9Å; G760-F763 PolarHBondContact O-N 3.38Å; P761-F763 PolarHBondContact O-N 3.01Å; F763-F765 VanDerWaalsContact C-N 3.31Å; F763-F765 PolarHBondContact O-N 2.86Å |
| 764 | A | 83.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A164 I709 G760 P761 | A164-A764 HydrophobicContact CB-CB 4.1Å; I709-A764 HydrophobicContact CG2-CB 4.41Å; G760-A764 WeakPolarHBondContact O-CB 3.42Å; G760-A764 PolarHBondContact O-N 2.82Å; P761-A764 PolarHBondContact O-N 3.39Å |
| 765 | F | 83.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -13.1 | -171.5 | -53.9 | -44.6 | 0 | 0 | 0 | 115.2 | I160 I709 I721 F724 P761 F763 H767 A768 M769 | I160-F765 HydrophobicContact CG2-CD1 4.04Å; I160-F765 HydrophobicContact CG2-CE1 3.73Å; I709-F765 HydrophobicContact CG2-CD2 4.49Å; I709-F765 HydrophobicContact CG2-CE2 3.56Å; I709-F765 HydrophobicContact CG2-CZ 3.58Å; I709-F765 WeakPolarHBondContact O-CZ 3.16Å; I721-F765 HydrophobicContact CG2-CB 3.43Å; I721-F765 VanDerWaalsContact CG2-CB 3.43Å; I721-F765 HydrophobicContact CG2-CD1 4.03Å; I721-F765 HydrophobicContact CG2-CD2 3.6Å; I721-F765 HydrophobicContact CG2-CE2 4.34Å; I721-F765 HydrophobicContact CG2-CG 3.42Å; I721-F765 VanDerWaalsContact CG2-CG 3.42Å; F724-F765 AromaticContact CD1-CE2 3.92Å; F724-F765 HydrophobicContact CD1-CE2 3.92Å; F724-F765 HydrophobicContact CE1-CE2 4.13Å; P761-F765 HydrophobicContact CB-CD2 3.63Å; P761-F765 HydrophobicContact CB-CE2 3.79Å; P761-F765 VanDerWaalsContact O-CB 3.3Å; P761-F765 WeakPolarHBondContact O-CB 3.49Å; P761-F765 WeakPolarHBondContact O-CD2 3.21Å; P761-F765 PolarHBondContact O-N 2.82Å; F763-F765 VanDerWaalsContact C-N 3.31Å; F763-F765 PolarHBondContact O-N 2.86Å; F765-H767 PolarHBondContact O-N 2.9Å; F765-A768 CarbonylContact O-C 3.28Å; F765-A768 WeakPolarHBondContact O-CA 3.32Å; F765-A768 WeakPolarHBondContact O-CB 3.38Å; F765-A768 PolarHBondContact O-N 3.13Å; F765-M769 HydrophobicContact CB-CE 4.17Å; F765-M769 WeakPolarHBondContact O-CG 3.11Å; F765-M769 PolarHBondContact O-N 3.26Å |
| 766 | S | 83.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.5 | -38.6 | -178.4 | -82.4 | 0 | 0 | 0 | 0 | 113.5 | R663 S762 M769 V770 | R663-S766 WeakPolarHBondContact CD-OG 3.26Å; R663-S766 PolarHBondContact NE-OG 3.3Å; S762-S766 VanDerWaalsContact O-CB 3.28Å; S762-S766 WeakPolarHBondContact O-CB 3.47Å; S762-S766 PolarHBondContact O-OG 3.15Å; S766-M769 PolarHBondContact O-N 2.89Å; S766-V770 PolarHBondContact O-N 2.93Å; S766-V770 VanDerWaalsContact O-N 3.16Å |
| 767 | H | 77.8 | Confident | 78.5 | Confident | 31 Ų | 31 | 24.5 Ų | 24.5 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 175 | -62.1 | 82.3 | 0 | 0 | 0 | 111.8 | L163 F765 I771 L783 | L163-H767 HydrophobicContact CD1-CB 4.39Å; F765-H767 PolarHBondContact O-N 2.9Å; H767-I771 WeakPolarHBondContact O-CD1 3.35Å; H767-I771 VanDerWaalsContact O-CG1 3.28Å; H767-I771 WeakPolarHBondContact O-CG1 3.5Å; H767-I771 PolarHBondContact O-N 3.47Å; H767-L783 WeakPolarHBondContact CD2-CD1 3.41Å; H767-L783 WeakPolarHBondContact NE2-CD1 3.39Å |
| 768 | A | 76.4 | Confident | 76.8 | Confident | 19 Ų | 19 | 26.9 Ų | 26.9 | 16% | 0.157 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F765 V770 I771 D772 | F765-A768 CarbonylContact O-C 3.28Å; F765-A768 WeakPolarHBondContact O-CA 3.32Å; F765-A768 WeakPolarHBondContact O-CB 3.38Å; F765-A768 PolarHBondContact O-N 3.13Å; A768-V770 VanDerWaalsContact C-N 3.29Å; A768-V770 PolarHBondContact O-N 3.42Å; A768-I771 WeakPolarHBondContact O-CB 3.49Å; A768-I771 PolarHBondContact O-N 2.92Å; A768-D772 WeakPolarHBondContact O-CB 3.48Å; A768-D772 PolarHBondContact O-N 2.78Å |
| 769 | M | 82.4 | Confident | 75.4 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 178.2 | -72.9 | -169.1 | -77.9 | 0 | 0 | 112.6 | F659 I721 R722 F765 S766 D772 I773 | F659-M769 HydrophobicContact CE2-CB 3.84Å; F659-M769 HydrophobicContact CE2-CE 3.85Å; F659-M769 HydrophobicContact CE2-SD 4.04Å; F659-M769 HydrophobicContact CZ-CB 4.11Å; F659-M769 HydrophobicContact CZ-CE 4.16Å; I721-M769 HydrophobicContact CG2-CG 4.3Å; R722-M769 HydrophobicContact CG-CG 4.5Å; R722-M769 HydrophobicContact CG-SD 4.11Å; F765-M769 HydrophobicContact CB-CE 4.17Å; F765-M769 WeakPolarHBondContact O-CG 3.11Å; F765-M769 PolarHBondContact O-N 3.26Å; S766-M769 PolarHBondContact O-N 2.89Å; M769-D772 WeakPolarHBondContact O-CB 3.28Å; M769-D772 PolarHBondContact O-N 3.21Å; M769-I773 WeakPolarHBondContact O-CD1 3.21Å; M769-I773 WeakPolarHBondContact O-CG1 2.94Å; M769-I773 PolarHBondContact O-N 3.4Å |
| 770 | V | 80.9 | Confident | 73.9 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.3 | -35.8 | 176.4 | 165.4 | 0 | 0 | 0 | 0 | 113.1 | F656 F659 S766 A768 D772 I773 M774 I786 | F656-V770 HydrophobicContact CD2-CG1 4.47Å; F656-V770 HydrophobicContact CD2-CG2 4.39Å; F656-V770 HydrophobicContact CE2-CG1 3.82Å; F656-V770 HydrophobicContact CE2-CG2 3.97Å; F659-V770 HydrophobicContact CD1-CG2 3.45Å; F659-V770 VanDerWaalsContact CD1-CG2 3.45Å; F659-V770 HydrophobicContact CE1-CG2 3.32Å; F659-V770 HydrophobicContact CG-CG2 4.31Å; F659-V770 HydrophobicContact CZ-CG2 4.08Å; S766-V770 PolarHBondContact O-N 2.93Å; S766-V770 VanDerWaalsContact O-N 3.16Å; A768-V770 VanDerWaalsContact C-N 3.29Å; A768-V770 PolarHBondContact O-N 3.42Å; V770-D772 VanDerWaalsContact C-N 3.25Å; V770-D772 PolarHBondContact O-N 3.04Å; V770-I773 PolarHBondContact O-N 3.48Å; V770-M774 HydrophobicContact CG1-CG 4.31Å; V770-M774 WeakPolarHBondContact O-CB 3.32Å; V770-M774 PolarHBondContact O-N 3.07Å; V770-I786 HydrophobicContact CB-CD1 3.72Å; V770-I786 HydrophobicContact CG1-CD1 4Å; V770-I786 HydrophobicContact CG2-CD1 3.38Å; V770-I786 HydrophobicContact CG2-CG1 3.83Å |
| 771 | I | 72.3 | Confident | 72.5 | Confident | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.138 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.3 | -44.9 | 169.8 | -65.9 | 164.9 | 0 | 0 | 0 | 109.5 | H767 A768 G775 D776 V779 | H767-I771 WeakPolarHBondContact O-CD1 3.35Å; H767-I771 VanDerWaalsContact O-CG1 3.28Å; H767-I771 WeakPolarHBondContact O-CG1 3.5Å; H767-I771 PolarHBondContact O-N 3.47Å; A768-I771 WeakPolarHBondContact O-CB 3.49Å; A768-I771 PolarHBondContact O-N 2.92Å; I771-G775 CarbonylContact O-C 3.38Å; I771-G775 WeakPolarHBondContact O-CA 3.12Å; I771-G775 PolarHBondContact O-N 2.76Å; I771-D776 WeakPolarHBondContact CG2-OD1 3.43Å; I771-V779 HydrophobicContact CB-CG2 4.45Å; I771-V779 HydrophobicContact CD1-CG1 4.38Å; I771-V779 HydrophobicContact CG1-CG1 3.87Å; I771-V779 HydrophobicContact CG1-CG2 3.77Å |
| 772 | D | 74.2 | Confident | 71.8 | Confident | 78 Ų | 78 | 34.1 Ų | 34.1 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59 | -46.7 | 174.5 | -112.4 | 30.6 | 0 | 0 | 0 | 114 | R722 A768 M769 V770 | R722-D772 IonicContact CZ-OD2 3.78Å; R722-D772 IonicContact NE-OD2 3.89Å; R722-D772 IonicContact NH2-OD2 2.81Å; R722-D772 PolarHBondContact NH2-OD2 3.14Å; A768-D772 WeakPolarHBondContact O-CB 3.48Å; A768-D772 PolarHBondContact O-N 2.78Å; M769-D772 WeakPolarHBondContact O-CB 3.28Å; M769-D772 PolarHBondContact O-N 3.21Å; V770-D772 VanDerWaalsContact C-N 3.25Å; V770-D772 PolarHBondContact O-N 3.04Å |
| 773 | I | 75 | Confident | 71.2 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.5 | -57.2 | -174.6 | -70.4 | 161.9 | 0 | 0 | 0 | 111.2 | K652 L655 F656 F659 M769 V770 G775 | K652-I773 PolarHBondContact NZ-O 3.15Å; L655-I773 HydrophobicContact CB-CG2 4.13Å; F656-I773 HydrophobicContact CB-CG2 3.99Å; F656-I773 HydrophobicContact CD2-CG2 4.47Å; F659-I773 HydrophobicContact CB-CD1 4Å; F659-I773 HydrophobicContact CD2-CD1 3.89Å; F659-I773 HydrophobicContact CG-CD1 3.97Å; M769-I773 WeakPolarHBondContact O-CD1 3.21Å; M769-I773 WeakPolarHBondContact O-CG1 2.94Å; M769-I773 PolarHBondContact O-N 3.4Å; V770-I773 PolarHBondContact O-N 3.48Å; I773-G775 PolarHBondContact O-N 2.77Å |
| 774 | M | 71 | Confident | 70.7 | Confident | 34 Ų | 34 | 34.5 Ų | 34.5 | 17% | 0.167 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.5 | -24.5 | -175.9 | -69.8 | -63.8 | -72.8 | 0 | 0 | 110.9 | K652 F656 V770 K778 S782 | K652-M774 PolarHBondContact NZ-O 3.17Å; F656-M774 HydrophobicContact CB-CG 4.42Å; F656-M774 HydrophobicContact CB-SD 3.61Å; F656-M774 HydrophobicContact CD1-CE 4.39Å; F656-M774 HydrophobicContact CD1-SD 3.84Å; F656-M774 HydrophobicContact CD2-CG 3.59Å; F656-M774 HydrophobicContact CD2-SD 3.81Å; F656-M774 HydrophobicContact CE1-SD 4.49Å; F656-M774 HydrophobicContact CE2-CG 3.96Å; F656-M774 HydrophobicContact CE2-SD 4.49Å; F656-M774 HydrophobicContact CG-CG 3.92Å; F656-M774 HydrophobicContact CG-SD 3.46Å; F656-M774 WeakPolarHBondContact CG-SD 3.28Å; V770-M774 HydrophobicContact CG1-CG 4.31Å; V770-M774 WeakPolarHBondContact O-CB 3.32Å; V770-M774 PolarHBondContact O-N 3.07Å; M774-K778 HydrophobicContact CE-CB 4.26Å; M774-K778 HydrophobicContact CE-CD 4.14Å; M774-S782 WeakPolarHBondContact CG-OG 3.3Å |
| 775 | G | 60.8 | Low | 70.5 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | 68.5 | 178.7 | -156.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | I771 I773 K777 | I771-G775 CarbonylContact O-C 3.38Å; I771-G775 WeakPolarHBondContact O-CA 3.12Å; I771-G775 PolarHBondContact O-N 2.76Å; I773-G775 PolarHBondContact O-N 2.77Å; G775-K777 PolarHBondContact O-N 2.91Å | ||
| 776 | D | 55.9 | Low | 70.6 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -84 | -16.2 | -154.9 | -72.1 | -26.7 | 0 | 0 | 0 | 115.8 | R277 I771 K778 V779 | R277-D776 HydrophobicContact CB-CB 4.28Å; R277-D776 HydrophobicContact CG-CB 3.06Å; R277-D776 WeakPolarHBondContact CG-OD2 3.47Å; R277-D776 IonicContact CZ-OD1 2.67Å; R277-D776 IonicContact CZ-OD2 2.97Å; R277-D776 IonicContact NE-OD1 2.6Å; R277-D776 IonicContact NE-OD2 2.72Å; R277-D776 PolarHBondContact NE-OD2 2.91Å; R277-D776 IonicContact NH2-OD1 2.69Å; R277-D776 PolarHBondContact NH2-OD1 3.38Å; R277-D776 IonicContact NH2-OD2 3.71Å; I771-D776 WeakPolarHBondContact CG2-OD1 3.43Å; D776-K778 PolarHBondContact O-N 3.2Å; D776-V779 WeakPolarHBondContact O-CG2 3.36Å |
| 777 | K | 47 | Very low | 70.6 | Confident | 109 Ų | 109 | 37.4 Ų | 37.4 | 47% | 0.474 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -73 | -14 | -169.7 | -47.7 | -177.2 | 171.5 | -169.8 | 0 | 113.8 | S276 I278 G775 | S276-K777 WeakPolarHBondContact O-CE 3.47Å; I278-K777 HydrophobicContact CB-CD 3.77Å; I278-K777 VanDerWaalsContact CB-CE 3.47Å; I278-K777 HydrophobicContact CB-CG 4.28Å; I278-K777 HydrophobicContact CG1-CD 4.39Å; I278-K777 WeakPolarHBondContact O-CG 3.27Å; G775-K777 PolarHBondContact O-N 2.91Å |
| 778 | K | 57.4 | Low | 71 | Confident | 114 Ų | 114 | 39.9 Ų | 39.9 | 50% | 0.496 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -132.5 | 20.5 | -170.8 | -64.3 | -175.2 | 177.8 | 179.4 | 0 | 112.7 | M774 D776 D780 R781 S782 | M774-K778 HydrophobicContact CE-CB 4.26Å; M774-K778 HydrophobicContact CE-CD 4.14Å; D776-K778 PolarHBondContact O-N 3.2Å; K778-D780 PolarHBondContact O-N 3.15Å; K778-R781 PolarHBondContact O-N 3.29Å; K778-S782 VanDerWaalsContact O-CB 3.29Å; K778-S782 WeakPolarHBondContact O-CB 3.34Å; K778-S782 PolarHBondContact O-N 3.34Å; K778-S782 PolarHBondContact O-OG 3.09Å |
| 779 | V | 64.1 | Low | 71.6 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | -171.4 | 174.4 | 0 | 0 | 0 | 0 | 112 | I771 D776 R781 S782 L783 | I771-V779 HydrophobicContact CB-CG2 4.45Å; I771-V779 HydrophobicContact CD1-CG1 4.38Å; I771-V779 HydrophobicContact CG1-CG1 3.87Å; I771-V779 HydrophobicContact CG1-CG2 3.77Å; D776-V779 WeakPolarHBondContact O-CG2 3.36Å; V779-R781 PolarHBondContact O-N 3.4Å; V779-S782 PolarHBondContact O-N 3.05Å; V779-L783 VanDerWaalsContact O-CB 3.26Å; V779-L783 WeakPolarHBondContact O-CB 3.47Å; V779-L783 PolarHBondContact O-N 3.12Å |
| 780 | D | 59.3 | Low | 72 | Confident | 107 Ų | 107 | 41.4 Ų | 41.4 | 57% | 0.572 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -67.6 | -38.6 | -176.5 | -55.4 | -38.2 | 0 | 0 | 0 | 112.9 | K778 S784 | K778-D780 PolarHBondContact O-N 3.15Å; D780-S784 WeakPolarHBondContact O-CB 3.39Å; D780-S784 PolarHBondContact O-N 3.23Å; D780-S784 PolarHBondContact O-OG 2.92Å |
| 781 | R | 58.5 | Low | 72.4 | Confident | 91 Ų | 91 | 41.3 Ų | 41.3 | 34% | 0.343 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 171.2 | -179 | -173.3 | 179.8 | 160.1 | -1.8 | 110.8 | I438 K778 V779 S784 M785 | I438-R781 HydrophobicContact CD1-CG 4.25Å; K778-R781 PolarHBondContact O-N 3.29Å; V779-R781 PolarHBondContact O-N 3.4Å; R781-S784 PolarHBondContact O-N 3.49Å; R781-M785 HydrophobicContact CG-SD 4.35Å; R781-M785 WeakPolarHBondContact O-CG 3.32Å; R781-M785 PolarHBondContact O-N 2.96Å |
| 782 | S | 72.6 | Confident | 73.3 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.8 | -38.9 | -174.9 | -50.4 | 0 | 0 | 0 | 0 | 111 | M774 K778 V779 M785 I786 | M774-S782 WeakPolarHBondContact CG-OG 3.3Å; K778-S782 VanDerWaalsContact O-CB 3.29Å; K778-S782 WeakPolarHBondContact O-CB 3.34Å; K778-S782 PolarHBondContact O-N 3.34Å; K778-S782 PolarHBondContact O-OG 3.09Å; V779-S782 PolarHBondContact O-N 3.05Å; S782-M785 WeakPolarHBondContact O-CB 3.38Å; S782-M785 PolarHBondContact O-N 3.17Å; S782-I786 WeakPolarHBondContact O-CG1 3.39Å; S782-I786 PolarHBondContact O-N 3.41Å |
| 783 | L | 74.6 | Confident | 74.1 | Confident | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.12 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 172.6 | 178.5 | 53.3 | 0 | 0 | 0 | 112.1 | I148 H767 V779 M785 I786 L787 | I148-L783 HydrophobicContact CG2-CD2 4.48Å; H767-L783 WeakPolarHBondContact CD2-CD1 3.41Å; H767-L783 WeakPolarHBondContact NE2-CD1 3.39Å; V779-L783 VanDerWaalsContact O-CB 3.26Å; V779-L783 WeakPolarHBondContact O-CB 3.47Å; V779-L783 PolarHBondContact O-N 3.12Å; L783-M785 VanDerWaalsContact C-N 3.27Å; L783-M785 PolarHBondContact O-N 3.12Å; L783-I786 HydrophobicContact CD1-CD1 4.14Å; L783-I786 WeakPolarHBondContact O-CB 3.48Å; L783-I786 PolarHBondContact O-N 3.16Å; L783-L787 WeakPolarHBondContact O-CG 3.47Å; L783-L787 PolarHBondContact O-N 3.2Å |
| 784 | S | 73.4 | Confident | 74.9 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -35.8 | 173.4 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | N93 D780 R781 F788 | N93-S784 PolarHBondContact ND2-OG 2.68Å; N93-S784 VanDerWaalsContact ND2-OG 3.14Å; D780-S784 WeakPolarHBondContact O-CB 3.39Å; D780-S784 PolarHBondContact O-N 3.23Å; D780-S784 PolarHBondContact O-OG 2.92Å; R781-S784 PolarHBondContact O-N 3.49Å; S784-F788 PolarHBondContact O-N 3.43Å; S784-F788 VanDerWaalsContact O-N 3.1Å |
| 785 | M | 78.9 | Confident | 75.9 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.8 | -38.1 | 173.7 | -74.5 | 173.4 | 157.9 | 0 | 0 | 112.7 | F656 L660 R781 S782 L783 F788 F789 | F656-M785 HydrophobicContact CE1-CB 4.32Å; F656-M785 HydrophobicContact CE1-SD 3.84Å; F656-M785 HydrophobicContact CZ-CB 4.07Å; F656-M785 HydrophobicContact CZ-SD 4.39Å; L660-M785 HydrophobicContact CD1-CB 4.33Å; L660-M785 HydrophobicContact CD2-CB 4.18Å; R781-M785 HydrophobicContact CG-SD 4.35Å; R781-M785 WeakPolarHBondContact O-CG 3.32Å; R781-M785 PolarHBondContact O-N 2.96Å; S782-M785 WeakPolarHBondContact O-CB 3.38Å; S782-M785 PolarHBondContact O-N 3.17Å; L783-M785 VanDerWaalsContact C-N 3.27Å; L783-M785 PolarHBondContact O-N 3.12Å; M785-F788 PolarHBondContact O-N 2.8Å; M785-F789 WeakPolarHBondContact O-CD2 3.34Å; M785-F789 PolarHBondContact O-N 3.25Å |
| 786 | I | 86.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.8 | -55.1 | 170.6 | -67.3 | 166 | 0 | 0 | 0 | 109.5 | F659 L660 R663 V770 S782 L783 F788 F789 E790 | F659-I786 HydrophobicContact CE1-CD1 4.44Å; F659-I786 HydrophobicContact CE1-CG1 4.3Å; L660-I786 HydrophobicContact CD2-CG1 4.27Å; R663-I786 HydrophobicContact CG-CG2 4.33Å; V770-I786 HydrophobicContact CB-CD1 3.72Å; V770-I786 HydrophobicContact CG1-CD1 4Å; V770-I786 HydrophobicContact CG2-CD1 3.38Å; V770-I786 HydrophobicContact CG2-CG1 3.83Å; S782-I786 WeakPolarHBondContact O-CG1 3.39Å; S782-I786 PolarHBondContact O-N 3.41Å; L783-I786 HydrophobicContact CD1-CD1 4.14Å; L783-I786 WeakPolarHBondContact O-CB 3.48Å; L783-I786 PolarHBondContact O-N 3.16Å; I786-F788 VanDerWaalsContact C-N 3.26Å; I786-F788 PolarHBondContact O-N 3.17Å; I786-F789 PolarHBondContact O-N 2.64Å; I786-F789 VanDerWaalsContact O-N 3.1Å; I786-E790 HydrophobicContact CG2-CG 4.05Å; I786-E790 WeakPolarHBondContact CG2-OE1 3.15Å; I786-E790 VanDerWaalsContact O-CB 3.31Å; I786-E790 WeakPolarHBondContact O-CB 3.4Å; I786-E790 WeakPolarHBondContact O-CG 3.22Å; I786-E790 PolarHBondContact O-N 3.23Å |
| 787 | L | 83.9 | Confident | 79 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -36.8 | -178.2 | -68.7 | 172.9 | 0 | 0 | 0 | 112.1 | C86 A89 L783 A791 | C86-L787 HydrophobicContact CB-CB 4.45Å; A89-L787 HydrophobicContact CB-CD1 4.34Å; L783-L787 WeakPolarHBondContact O-CG 3.47Å; L783-L787 PolarHBondContact O-N 3.2Å; L787-A791 WeakPolarHBondContact O-CB 3.33Å; L787-A791 PolarHBondContact O-N 3.17Å |
| 788 | F | 86.1 | Confident | 80.9 | Confident | 83 Ų | 83 | 35.6 Ų | 35.6 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.2 | -47.7 | 173.6 | -178 | -85.7 | 0 | 0 | 0 | 112.7 | C87 S784 M785 I786 A791 T792 | C87-F788 HydrophobicContact CB-CD2 3.93Å; C87-F788 HydrophobicContact CB-CE2 4.08Å; C87-F788 WeakPolarHBondContact O-CD2 3.26Å; S784-F788 PolarHBondContact O-N 3.43Å; S784-F788 VanDerWaalsContact O-N 3.1Å; M785-F788 PolarHBondContact O-N 2.8Å; I786-F788 VanDerWaalsContact C-N 3.26Å; I786-F788 PolarHBondContact O-N 3.17Å; F788-A791 WeakPolarHBondContact O-CB 3.21Å; F788-A791 PolarHBondContact O-N 2.87Å; F788-T792 HydrophobicContact CD1-CG2 4.2Å; F788-T792 HydrophobicContact CE1-CG2 3.76Å; F788-T792 HydrophobicContact CZ-CG2 4.06Å; F788-T792 WeakPolarHBondContact O-CG2 3.2Å; F788-T792 PolarHBondContact O-N 2.81Å; F788-T792 PolarHBondContact O-OG1 2.97Å |
| 789 | F | 88.7 | Confident | 82.4 | Confident | 57 Ų | 57 | 30.4 Ų | 30.4 | 25% | 0.25 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.7 | -34.1 | -179.1 | -87.4 | -103.1 | 0 | 0 | 0 | 112.6 | L660 S664 M785 I786 T792 G793 | L660-F789 HydrophobicContact CB-CB 4.18Å; L660-F789 HydrophobicContact CB-CD1 3.75Å; L660-F789 HydrophobicContact CB-CD2 4.08Å; L660-F789 HydrophobicContact CB-CE1 4.12Å; L660-F789 HydrophobicContact CB-CE2 4.43Å; L660-F789 HydrophobicContact CB-CG 3.73Å; L660-F789 HydrophobicContact CB-CZ 4.45Å; L660-F789 HydrophobicContact CD1-CD2 3.93Å; L660-F789 HydrophobicContact CD1-CE2 3.86Å; L660-F789 HydrophobicContact CD1-CG 4.44Å; L660-F789 HydrophobicContact CD1-CZ 4.3Å; L660-F789 HydrophobicContact CD2-CB 4.22Å; L660-F789 HydrophobicContact CD2-CD2 4.11Å; L660-F789 HydrophobicContact CD2-CG 4.23Å; L660-F789 HydrophobicContact CG-CD2 4.27Å; L660-F789 HydrophobicContact CG-CG 4.36Å; S664-F789 WeakPolarHBondContact CA-O 3.33Å; S664-F789 WeakPolarHBondContact CB-O 3.2Å; S664-F789 WeakPolarHBondContact OG-CB 3.43Å; S664-F789 WeakPolarHBondContact OG-CD1 3.46Å; S664-F789 PolarHBondContact OG-O 3.41Å; M785-F789 WeakPolarHBondContact O-CD2 3.34Å; M785-F789 PolarHBondContact O-N 3.25Å; I786-F789 PolarHBondContact O-N 2.64Å; I786-F789 VanDerWaalsContact O-N 3.1Å; F789-T792 WeakPolarHBondContact CA-OG1 3.42Å; F789-T792 PolarHBondContact O-OG1 3.29Å; F789-G793 PolarHBondContact O-N 3.13Å; F789-G793 VanDerWaalsContact O-N 3.08Å |
| 790 | E | 90.8 | Very high | 83.7 | Confident | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 166.5 | -81.2 | -178.3 | -166.9 | 0 | 0 | 111.3 | R663 Y667 I786 G793 Y794 | R663-E790 HydrophobicContact CB-CG 3.98Å; R663-E790 IonicContact CZ-OE1 3.13Å; R663-E790 IonicContact NE-OE1 2.8Å; R663-E790 PolarHBondContact NE-OE1 3.01Å; R663-E790 IonicContact NH2-OE1 2.67Å; R663-E790 PolarHBondContact NH2-OE1 3.46Å; R663-E790 IonicContact NH2-OE2 3.96Å; Y667-E790 WeakPolarHBondContact CB-O 3.48Å; Y667-E790 HydrophobicContact CD1-CB 3.41Å; Y667-E790 VanDerWaalsContact CD1-CB 3.41Å; Y667-E790 HydrophobicContact CD1-CG 3.78Å; Y667-E790 WeakPolarHBondContact CD1-O 3.45Å; Y667-E790 HydrophobicContact CD2-CG 4.23Å; Y667-E790 HydrophobicContact CE1-CB 3.38Å; Y667-E790 HydrophobicContact CE1-CG 3.5Å; Y667-E790 VanDerWaalsContact CE1-OE2 3.24Å; Y667-E790 WeakPolarHBondContact CE1-OE2 3.26Å; Y667-E790 HydrophobicContact CE2-CG 4.06Å; Y667-E790 HydrophobicContact CG-CB 4.06Å; Y667-E790 HydrophobicContact CG-CG 4.08Å; Y667-E790 PolarHBondContact OH-OE1 2.81Å; Y667-E790 PolarHBondContact OH-OE2 3.47Å; I786-E790 HydrophobicContact CG2-CG 4.05Å; I786-E790 WeakPolarHBondContact CG2-OE1 3.15Å; I786-E790 VanDerWaalsContact O-CB 3.31Å; I786-E790 WeakPolarHBondContact O-CB 3.4Å; I786-E790 WeakPolarHBondContact O-CG 3.22Å; I786-E790 PolarHBondContact O-N 3.23Å; E790-G793 PolarHBondContact O-N 3.05Å; E790-Y794 WeakPolarHBondContact O-CB 3.4Å; E790-Y794 PolarHBondContact O-N 3.28Å |
| 791 | A | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C86 C87 L787 F788 Y794 L795 | C86-A791 HydrophobicContact CB-CB 3.57Å; C87-A791 HydrophobicContact CB-CB 4.41Å; C87-A791 WeakPolarHBondContact SG-CB 3.24Å; L787-A791 WeakPolarHBondContact O-CB 3.33Å; L787-A791 PolarHBondContact O-N 3.17Å; F788-A791 WeakPolarHBondContact O-CB 3.21Å; F788-A791 PolarHBondContact O-N 2.87Å; A791-Y794 PolarHBondContact O-N 3.01Å; A791-L795 VanDerWaalsContact O-CB 3.31Å; A791-L795 WeakPolarHBondContact O-CB 3.42Å; A791-L795 PolarHBondContact O-N 3.41Å |
| 792 | T | 90.7 | Very high | 86.4 | Confident | 37 Ų | 37 | 22.7 Ų | 22.7 | 23% | 0.227 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.6 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | F788 F789 L795 I796 | F788-T792 HydrophobicContact CD1-CG2 4.2Å; F788-T792 HydrophobicContact CE1-CG2 3.76Å; F788-T792 HydrophobicContact CZ-CG2 4.06Å; F788-T792 WeakPolarHBondContact O-CG2 3.2Å; F788-T792 PolarHBondContact O-N 2.81Å; F788-T792 PolarHBondContact O-OG1 2.97Å; F789-T792 WeakPolarHBondContact CA-OG1 3.42Å; F789-T792 PolarHBondContact O-OG1 3.29Å; T792-L795 PolarHBondContact O-N 3.19Å; T792-I796 WeakPolarHBondContact O-CD1 3.37Å; T792-I796 VanDerWaalsContact O-CG1 3.27Å; T792-I796 WeakPolarHBondContact O-CG1 3.48Å; T792-I796 PolarHBondContact O-N 3.26Å; T792-I796 VanDerWaalsContact O-N 3.1Å |
| 793 | G | 91 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S664 M668 F789 E790 L795 I796 G797 | S664-G793 WeakPolarHBondContact O-CA 3.34Å; M668-G793 WeakPolarHBondContact CA-O 3.37Å; M668-G793 WeakPolarHBondContact CG-O 3.37Å; F789-G793 PolarHBondContact O-N 3.13Å; F789-G793 VanDerWaalsContact O-N 3.08Å; E790-G793 PolarHBondContact O-N 3.05Å; G793-L795 VanDerWaalsContact C-N 3.34Å; G793-L795 PolarHBondContact O-N 3.17Å; G793-I796 PolarHBondContact O-N 3.09Å; G793-G797 PolarHBondContact O-N 2.95Å |
| 794 | Y | 92.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 179.5 | -157.2 | -89.1 | 0 | 0 | 0 | 112.8 | M78 T79 F82 Y667 S671 Y674 E790 A791 | M78-Y794 HydrophobicContact CE-CE1 4.39Å; T79-Y794 WeakPolarHBondContact CB-O 3.49Å; T79-Y794 HydrophobicContact CG2-CD1 4.17Å; T79-Y794 HydrophobicContact CG2-CE1 4.15Å; T79-Y794 WeakPolarHBondContact CG2-O 3.35Å; F82-Y794 HydrophobicContact CB-CD1 3.54Å; F82-Y794 HydrophobicContact CB-CE1 3.77Å; F82-Y794 HydrophobicContact CB-CG 4.38Å; F82-Y794 AromaticContact CD1-CD1 3.81Å; F82-Y794 HydrophobicContact CD1-CD1 3.81Å; F82-Y794 AromaticContact CD1-CG 3.77Å; F82-Y794 HydrophobicContact CD1-CG 3.77Å; F82-Y794 AromaticContact CD2-CD1 3.95Å; F82-Y794 HydrophobicContact CD2-CD1 3.95Å; F82-Y794 HydrophobicContact CD2-CD2 4.46Å; F82-Y794 AromaticContact CD2-CE1 3.87Å; F82-Y794 HydrophobicContact CD2-CE1 3.87Å; F82-Y794 HydrophobicContact CD2-CE2 4.4Å; F82-Y794 HydrophobicContact CD2-CG 4.24Å; F82-Y794 HydrophobicContact CE1-CG 4.14Å; F82-Y794 HydrophobicContact CE2-CD2 4.47Å; F82-Y794 HydrophobicContact CE2-CE2 4.49Å; F82-Y794 AromaticContact CG-CD1 3.48Å; F82-Y794 HydrophobicContact CG-CD1 3.48Å; F82-Y794 VanDerWaalsContact CG-CD1 3.48Å; F82-Y794 AromaticContact CG-CE1 3.81Å; F82-Y794 HydrophobicContact CG-CE1 3.81Å; F82-Y794 AromaticContact CG-CG 3.86Å; F82-Y794 HydrophobicContact CG-CG 3.86Å; Y667-Y794 HydrophobicContact CD1-CD2 4.32Å; S671-Y794 WeakPolarHBondContact CB-O 3.23Å; S671-Y794 PolarHBondContact OG-O 3.37Å; Y674-Y794 HydrophobicContact CD2-CE2 4.47Å; E790-Y794 WeakPolarHBondContact O-CB 3.4Å; E790-Y794 PolarHBondContact O-N 3.28Å; A791-Y794 PolarHBondContact O-N 3.01Å |
| 795 | L | 92 | Very high | 88.6 | Confident | 46 Ų | 46 | 28.7 Ų | 28.7 | 24% | 0.241 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.1 | -173.4 | 56.2 | 0 | 0 | 0 | 112.5 | W76 A83 A791 T792 G793 P799 | W76-L795 HydrophobicContact CE3-CD1 3.82Å; W76-L795 HydrophobicContact CZ3-CD1 3.64Å; W76-L795 HydrophobicContact CZ3-CG 3.98Å; A83-L795 HydrophobicContact CB-CB 3.85Å; A83-L795 HydrophobicContact CB-CD1 3.79Å; A83-L795 HydrophobicContact CB-CD2 3.93Å; A83-L795 HydrophobicContact CB-CG 4.06Å; A791-L795 VanDerWaalsContact O-CB 3.31Å; A791-L795 WeakPolarHBondContact O-CB 3.42Å; A791-L795 PolarHBondContact O-N 3.41Å; T792-L795 PolarHBondContact O-N 3.19Å; G793-L795 VanDerWaalsContact C-N 3.34Å; G793-L795 PolarHBondContact O-N 3.17Å; L795-P799 WeakPolarHBondContact O-CD 3.46Å; L795-P799 WeakPolarHBondContact O-CG 3.45Å |
| 796 | I | 91.7 | Very high | 89 | Confident | 85 Ų | 85 | 30.1 Ų | 30.1 | 44% | 0.436 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -78 | -42.7 | -176.9 | -64.7 | 165.2 | 0 | 0 | 0 | 110.9 | M668 T792 G793 G798 L800 | M668-I796 HydrophobicContact CE-CG2 3.97Å; T792-I796 WeakPolarHBondContact O-CD1 3.37Å; T792-I796 VanDerWaalsContact O-CG1 3.27Å; T792-I796 WeakPolarHBondContact O-CG1 3.48Å; T792-I796 PolarHBondContact O-N 3.26Å; T792-I796 VanDerWaalsContact O-N 3.1Å; G793-I796 PolarHBondContact O-N 3.09Å; I796-G798 PolarHBondContact O-N 2.96Å; I796-L800 HydrophobicContact CG2-CB 4.32Å; I796-L800 HydrophobicContact CG2-CD2 4.04Å; I796-L800 WeakPolarHBondContact O-CB 3.37Å; I796-L800 PolarHBondContact O-N 2.96Å |
| 797 | G | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.7 | -53.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I672 G793 L800 G801 | I672-G797 VanDerWaalsContact CG1-O 3.31Å; I672-G797 WeakPolarHBondContact CG1-O 3.31Å; G793-G797 PolarHBondContact O-N 2.95Å; G797-L800 PolarHBondContact O-N 3.46Å; G797-G801 PolarHBondContact O-N 2.87Å |
| 798 | G | 87.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -57 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S671 H676 I796 L800 G801 G802 | S671-G798 PolarHBondContact OG-N 2.82Å; H676-G798 PolarHBondContact NE2-O 2.87Å; I796-G798 PolarHBondContact O-N 2.96Å; G798-L800 PolarHBondContact O-N 2.81Å; G798-G801 PolarHBondContact O-N 3.46Å; G798-G802 PolarHBondContact O-N 3.06Å |
| 799 | P | 89.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 175.3 | -26.2 | 35.8 | 0 | 0 | 0 | 113.4 | F75 W76 L795 G802 I803 | F75-P799 HydrophobicContact CB-CG 4.27Å; W76-P799 HydrophobicContact CD2-CB 4.26Å; W76-P799 HydrophobicContact CD2-CG 3.72Å; W76-P799 HydrophobicContact CE3-CG 4.09Å; W76-P799 HydrophobicContact CG-CG 4.16Å; W76-P799 HydrophobicContact CH2-CB 4.41Å; W76-P799 HydrophobicContact CH2-CG 4.27Å; W76-P799 HydrophobicContact CZ2-CB 3.72Å; W76-P799 HydrophobicContact CZ2-CG 3.91Å; W76-P799 HydrophobicContact CZ3-CG 4.35Å; L795-P799 WeakPolarHBondContact O-CD 3.46Å; L795-P799 WeakPolarHBondContact O-CG 3.45Å; P799-G802 WeakPolarHBondContact O-CA 3.5Å; P799-G802 PolarHBondContact O-N 3.26Å; P799-G802 VanDerWaalsContact O-N 3.16Å; P799-I803 WeakPolarHBondContact O-CG1 3.3Å; P799-I803 PolarHBondContact O-N 3.35Å |
| 800 | L | 90.4 | Very high | 89.1 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 29% | 0.293 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 177.4 | -175.4 | 59.8 | 0 | 0 | 0 | 111.4 | M668 I796 G797 G798 G802 I803 I804 F817 | M668-L800 HydrophobicContact CE-CD2 4.07Å; I796-L800 HydrophobicContact CG2-CB 4.32Å; I796-L800 HydrophobicContact CG2-CD2 4.04Å; I796-L800 WeakPolarHBondContact O-CB 3.37Å; I796-L800 PolarHBondContact O-N 2.96Å; G797-L800 PolarHBondContact O-N 3.46Å; G798-L800 PolarHBondContact O-N 2.81Å; L800-G802 VanDerWaalsContact C-N 3.27Å; L800-G802 PolarHBondContact O-N 3.46Å; L800-I803 PolarHBondContact O-N 2.86Å; L800-I804 HydrophobicContact CG-CD1 4.16Å; L800-I804 VanDerWaalsContact O-CG1 3.27Å; L800-I804 WeakPolarHBondContact O-CG1 3.43Å; L800-I804 PolarHBondContact O-N 3.2Å; L800-F817 HydrophobicContact CD2-CE1 3.69Å; L800-F817 HydrophobicContact CD2-CE2 4.39Å; L800-F817 HydrophobicContact CD2-CZ 3.47Å; L800-F817 VanDerWaalsContact CD2-CZ 3.47Å; L800-F817 HydrophobicContact CG-CE1 4.27Å; L800-F817 HydrophobicContact CG-CZ 4.38Å |
| 801 | G | 88.4 | Confident | 89 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -32.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G797 G798 K805 T814 | G797-G801 PolarHBondContact O-N 2.87Å; G798-G801 PolarHBondContact O-N 3.46Å; G801-K805 WeakPolarHBondContact O-CB 3.34Å; G801-K805 PolarHBondContact O-N 2.91Å; G801-K805 VanDerWaalsContact O-N 3.11Å; G801-T814 WeakPolarHBondContact O-CG2 3.12Å; G801-T814 PolarHBondContact O-OG1 3.19Å |
| 802 | G | 86.2 | Confident | 89 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -50 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H676 G798 P799 L800 I804 K805 D806 | H676-G802 PolarHBondContact CE1-N 2.85Å; H676-G802 VanDerWaalsContact CE1-N 3.31Å; H676-G802 PolarHBondContact NE2-N 3.18Å; G798-G802 PolarHBondContact O-N 3.06Å; P799-G802 WeakPolarHBondContact O-CA 3.5Å; P799-G802 PolarHBondContact O-N 3.26Å; P799-G802 VanDerWaalsContact O-N 3.16Å; L800-G802 VanDerWaalsContact C-N 3.27Å; L800-G802 PolarHBondContact O-N 3.46Å; G802-I804 VanDerWaalsContact C-N 3.33Å; G802-I804 PolarHBondContact O-N 2.87Å; G802-K805 PolarHBondContact O-N 2.82Å; G802-K805 VanDerWaalsContact O-N 3.15Å; G802-D806 WeakPolarHBondContact O-CB 3.33Å; G802-D806 PolarHBondContact O-N 3.3Å |
| 803 | I | 88.6 | Confident | 89.1 | Confident | 82 Ų | 82 | 42.9 Ų | 42.9 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 176.8 | -66.6 | 164.4 | 0 | 0 | 0 | 111.1 | P799 L800 K805 D806 Q807 | P799-I803 WeakPolarHBondContact O-CG1 3.3Å; P799-I803 PolarHBondContact O-N 3.35Å; L800-I803 PolarHBondContact O-N 2.86Å; I803-K805 PolarHBondContact O-N 2.81Å; I803-D806 PolarHBondContact O-N 3.33Å; I803-Q807 HydrophobicContact CG2-CG 4.32Å; I803-Q807 WeakPolarHBondContact O-CB 3.43Å; I803-Q807 WeakPolarHBondContact O-CG 3.42Å; I803-Q807 PolarHBondContact O-N 2.98Å |
| 804 | I | 91.2 | Very high | 89.1 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.1 | -69.1 | 164.6 | 0 | 0 | 0 | 110.7 | L800 G802 Q807 T808 C813 F817 | L800-I804 HydrophobicContact CG-CD1 4.16Å; L800-I804 VanDerWaalsContact O-CG1 3.27Å; L800-I804 WeakPolarHBondContact O-CG1 3.43Å; L800-I804 PolarHBondContact O-N 3.2Å; G802-I804 VanDerWaalsContact C-N 3.33Å; G802-I804 PolarHBondContact O-N 2.87Å; I804-Q807 PolarHBondContact O-N 2.98Å; I804-T808 HydrophobicContact CG2-CG2 4.49Å; I804-T808 WeakPolarHBondContact O-CB 3.24Å; I804-T808 WeakPolarHBondContact O-CG2 3.43Å; I804-T808 PolarHBondContact O-N 3.48Å; I804-T808 PolarHBondContact O-OG1 3.21Å; I804-C813 HydrophobicContact CG2-CB 3.65Å; I804-F817 HydrophobicContact CD1-CB 3.96Å; I804-F817 HydrophobicContact CD1-CD1 3.84Å; I804-F817 HydrophobicContact CD1-CD2 4.19Å; I804-F817 HydrophobicContact CD1-CE1 4.41Å; I804-F817 HydrophobicContact CD1-CG 3.72Å |
| 805 | K | 87.5 | Confident | 89.2 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 177.2 | 167.9 | -96.5 | 161.3 | -169.9 | 0 | 112 | G801 G802 I803 G809 Y811 T814 | G801-K805 WeakPolarHBondContact O-CB 3.34Å; G801-K805 PolarHBondContact O-N 2.91Å; G801-K805 VanDerWaalsContact O-N 3.11Å; G802-K805 PolarHBondContact O-N 2.82Å; G802-K805 VanDerWaalsContact O-N 3.15Å; I803-K805 PolarHBondContact O-N 2.81Å; K805-G809 VanDerWaalsContact O-CA 3.27Å; K805-G809 WeakPolarHBondContact O-CA 3.49Å; K805-G809 PolarHBondContact O-N 3.14Å; K805-Y811 HydrophobicContact CB-CD1 4.34Å; K805-Y811 HydrophobicContact CB-CE1 4.35Å; K805-Y811 HydrophobicContact CD-CE1 4.28Å; K805-Y811 HydrophobicContact CG-CD1 3.97Å; K805-Y811 HydrophobicContact CG-CD2 4.26Å; K805-Y811 HydrophobicContact CG-CE1 3.75Å; K805-Y811 HydrophobicContact CG-CE2 4.07Å; K805-Y811 HydrophobicContact CG-CG 4.2Å; K805-T814 PolarHBondContact N-OG1 3.3Å |
| 806 | D | 86.8 | Confident | 89.3 | Confident | 80 Ų | 80 | 43.2 Ų | 43.2 | 43% | 0.428 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.9 | -32.1 | -179.8 | -71.8 | -22.6 | 0 | 0 | 0 | 112.2 | G802 I803 | G802-D806 WeakPolarHBondContact O-CB 3.33Å; G802-D806 PolarHBondContact O-N 3.3Å; I803-D806 PolarHBondContact O-N 3.33Å |
| 807 | Q | 88.2 | Confident | 89.4 | Confident | 159 Ų | 159 | 41.8 Ų | 41.8 | 74% | 0.743 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -79 | -37.4 | 175.2 | -73 | 179.5 | -6.5 | 0 | 0 | 113.8 | I803 I804 | I803-Q807 HydrophobicContact CG2-CG 4.32Å; I803-Q807 WeakPolarHBondContact O-CB 3.43Å; I803-Q807 WeakPolarHBondContact O-CG 3.42Å; I803-Q807 PolarHBondContact O-N 2.98Å; I804-Q807 PolarHBondContact O-N 2.98Å |
| 808 | T | 89.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 41.9 Ų | 41.9 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -95.8 | -14.9 | -175.1 | 62 | 0 | 0 | 0 | 0 | 113.8 | I804 N810 C813 | I804-T808 HydrophobicContact CG2-CG2 4.49Å; I804-T808 WeakPolarHBondContact O-CB 3.24Å; I804-T808 WeakPolarHBondContact O-CG2 3.43Å; I804-T808 PolarHBondContact O-N 3.48Å; I804-T808 PolarHBondContact O-OG1 3.21Å; T808-N810 PolarHBondContact O-N 2.64Å; T808-N810 PolarHBondContact OG1-N 3.26Å; T808-N810 PolarHBondContact OG1-O 2.74Å; T808-C813 HydrophobicContact CG2-CB 4Å |
| 809 | G | 83.6 | Confident | 90 | Very high | 68 Ų | 68 | 41.9 Ų | 41.9 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 68.9 | -0.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K805 | K805-G809 VanDerWaalsContact O-CA 3.27Å; K805-G809 WeakPolarHBondContact O-CA 3.49Å; K805-G809 PolarHBondContact O-N 3.14Å |
| 810 | N | 86.3 | Confident | 90.3 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | trans | -136.3 | 121.3 | -170.8 | -171.7 | -10.6 | 0 | 0 | 0 | 112.3 | T808 A812 C813 | T808-N810 PolarHBondContact O-N 2.64Å; T808-N810 PolarHBondContact OG1-N 3.26Å; T808-N810 PolarHBondContact OG1-O 2.74Å; N810-A812 PolarHBondContact O-N 3.44Å; N810-A812 VanDerWaalsContact O-N 3.15Å; N810-A812 VanDerWaalsContact OD1-CB 3.31Å; N810-A812 WeakPolarHBondContact OD1-CB 3.38Å; N810-A812 PolarHBondContact OD1-N 3.31Å; N810-C813 PolarHBondContact O-N 3.2Å | ||
| 811 | Y | 88.4 | Confident | 90.5 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -22.1 | 175 | -77.6 | -78.1 | 0 | 0 | 0 | 114.4 | H676 N679 F680 S683 K805 C813 T814 F815 | H676-Y811 HydrophobicContact CB-CD1 4.24Å; H676-Y811 HydrophobicContact CB-CE1 4.08Å; H676-Y811 AromaticContact ND1-CE1 3.55Å; N679-Y811 HydrophobicContact CB-CE1 4.44Å; N679-Y811 WeakPolarHBondContact CB-OH 3.34Å; F680-Y811 HydrophobicContact CB-CD1 4.43Å; F680-Y811 HydrophobicContact CB-CG 4.28Å; F680-Y811 AromaticContact CD2-CD2 3.98Å; F680-Y811 HydrophobicContact CD2-CD2 3.98Å; F680-Y811 AromaticContact CD2-CG 3.75Å; F680-Y811 HydrophobicContact CD2-CG 3.75Å; F680-Y811 HydrophobicContact CG-CG 4.45Å; S683-Y811 VanDerWaalsContact OG-CD2 3.29Å; S683-Y811 WeakPolarHBondContact OG-CD2 3.39Å; S683-Y811 WeakPolarHBondContact OG-CE2 3.17Å; K805-Y811 HydrophobicContact CB-CD1 4.34Å; K805-Y811 HydrophobicContact CB-CE1 4.35Å; K805-Y811 HydrophobicContact CD-CE1 4.28Å; K805-Y811 HydrophobicContact CG-CD1 3.97Å; K805-Y811 HydrophobicContact CG-CD2 4.26Å; K805-Y811 HydrophobicContact CG-CE1 3.75Å; K805-Y811 HydrophobicContact CG-CE2 4.07Å; K805-Y811 HydrophobicContact CG-CG 4.2Å; Y811-C813 PolarHBondContact O-N 3.32Å; Y811-T814 WeakPolarHBondContact O-CB 3.37Å; Y811-T814 PolarHBondContact O-N 2.71Å; Y811-F815 WeakPolarHBondContact O-CD2 3.41Å; Y811-F815 PolarHBondContact O-N 2.82Å |
| 812 | A | 90.7 | Very high | 90.8 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.7 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P740 N810 T814 F815 L816 | P740-A812 HydrophobicContact CB-CB 3.78Å; N810-A812 PolarHBondContact O-N 3.44Å; N810-A812 VanDerWaalsContact O-N 3.15Å; N810-A812 VanDerWaalsContact OD1-CB 3.31Å; N810-A812 WeakPolarHBondContact OD1-CB 3.38Å; N810-A812 PolarHBondContact OD1-N 3.31Å; A812-T814 VanDerWaalsContact C-N 3.32Å; A812-T814 PolarHBondContact O-N 3.39Å; A812-F815 PolarHBondContact O-N 3.14Å; A812-L816 WeakPolarHBondContact O-CB 3.44Å; A812-L816 WeakPolarHBondContact O-CG 3.4Å; A812-L816 PolarHBondContact O-N 2.84Å |
| 813 | C | 91.4 | Very high | 91.3 | Very high | 47 Ų | 47 | 46 Ų | 46 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 176.3 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | I804 T808 N810 Y811 F817 | I804-C813 HydrophobicContact CG2-CB 3.65Å; T808-C813 HydrophobicContact CG2-CB 4Å; N810-C813 PolarHBondContact O-N 3.2Å; Y811-C813 PolarHBondContact O-N 3.32Å; C813-F817 WeakPolarHBondContact O-CB 3.23Å; C813-F817 PolarHBondContact O-N 2.81Å |
| 814 | T | 92.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 112 | I672 G801 K805 Y811 A812 A818 | I672-T814 HydrophobicContact CG1-CG2 4.45Å; I672-T814 HydrophobicContact CG2-CG2 3.62Å; G801-T814 WeakPolarHBondContact O-CG2 3.12Å; G801-T814 PolarHBondContact O-OG1 3.19Å; K805-T814 PolarHBondContact N-OG1 3.3Å; Y811-T814 WeakPolarHBondContact O-CB 3.37Å; Y811-T814 PolarHBondContact O-N 2.71Å; A812-T814 VanDerWaalsContact C-N 3.32Å; A812-T814 PolarHBondContact O-N 3.39Å; T814-A818 PolarHBondContact O-N 2.95Å; T814-A818 VanDerWaalsContact O-N 3.15Å |
| 815 | F | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.7 | -38.1 | 174.5 | -73.9 | -71.8 | 0 | 0 | 0 | 113 | I672 F680 T736 M739 P740 Y751 Y811 A812 F817 A818 G819 | I672-F815 HydrophobicContact CG2-CD1 4.45Å; I672-F815 HydrophobicContact CG2-CE1 4.42Å; F680-F815 HydrophobicContact CB-CE2 3.71Å; F680-F815 HydrophobicContact CB-CZ 4.14Å; F680-F815 HydrophobicContact CD1-CD2 4.48Å; F680-F815 AromaticContact CD1-CE2 3.81Å; F680-F815 HydrophobicContact CD1-CE2 3.81Å; F680-F815 HydrophobicContact CD1-CZ 4.38Å; F680-F815 HydrophobicContact CD2-CE2 4.18Å; F680-F815 HydrophobicContact CG-CD2 4.42Å; F680-F815 AromaticContact CG-CE2 3.6Å; F680-F815 HydrophobicContact CG-CE2 3.6Å; F680-F815 HydrophobicContact CG-CZ 4.36Å; T736-F815 HydrophobicContact CG2-CB 4.34Å; T736-F815 HydrophobicContact CG2-CD1 4.28Å; T736-F815 WeakPolarHBondContact CG2-O 3.41Å; M739-F815 HydrophobicContact CE-CB 4.42Å; M739-F815 HydrophobicContact CE-CD1 3.61Å; M739-F815 HydrophobicContact CE-CD2 3.86Å; M739-F815 HydrophobicContact CE-CE1 3.75Å; M739-F815 HydrophobicContact CE-CE2 4Å; M739-F815 HydrophobicContact CE-CG 3.68Å; M739-F815 HydrophobicContact CE-CZ 3.95Å; P740-F815 HydrophobicContact CG-CB 3.52Å; P740-F815 HydrophobicContact CG-CD2 4.16Å; P740-F815 HydrophobicContact CG-CG 4.08Å; Y751-F815 HydrophobicContact CE1-CE1 4.49Å; Y811-F815 WeakPolarHBondContact O-CD2 3.41Å; Y811-F815 PolarHBondContact O-N 2.82Å; A812-F815 PolarHBondContact O-N 3.14Å; F815-F817 VanDerWaalsContact C-N 3.27Å; F815-F817 PolarHBondContact O-N 2.86Å; F815-A818 PolarHBondContact O-N 3.45Å; F815-A818 VanDerWaalsContact O-N 3.15Å; F815-G819 PolarHBondContact O-N 2.87Å |
| 816 | L | 93.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.8 | -42.7 | 172.3 | -73.4 | 171.5 | 0 | 0 | 0 | 111.2 | I737 A812 G819 L820 | I737-L816 HydrophobicContact CB-CD2 4.25Å; I737-L816 HydrophobicContact CG1-CD2 4.16Å; I737-L816 HydrophobicContact CG2-CD2 3.8Å; A812-L816 WeakPolarHBondContact O-CB 3.44Å; A812-L816 WeakPolarHBondContact O-CG 3.4Å; A812-L816 PolarHBondContact O-N 2.84Å; L816-G819 PolarHBondContact O-N 3.08Å; L816-L820 WeakPolarHBondContact O-CG 3.5Å; L816-L820 PolarHBondContact O-N 2.81Å |
| 817 | F | 94.3 | Very high | 92.5 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 173.9 | 177.4 | -101.9 | 0 | 0 | 0 | 112.5 | M668 I672 L800 I804 C813 F815 G819 L820 C821 | M668-F817 HydrophobicContact CE-CE1 3.83Å; M668-F817 HydrophobicContact CE-CZ 3.62Å; I672-F817 HydrophobicContact CD1-CD1 3.65Å; I672-F817 HydrophobicContact CD1-CE1 4.06Å; L800-F817 HydrophobicContact CD2-CE1 3.69Å; L800-F817 HydrophobicContact CD2-CE2 4.39Å; L800-F817 HydrophobicContact CD2-CZ 3.47Å; L800-F817 VanDerWaalsContact CD2-CZ 3.47Å; L800-F817 HydrophobicContact CG-CE1 4.27Å; L800-F817 HydrophobicContact CG-CZ 4.38Å; I804-F817 HydrophobicContact CD1-CB 3.96Å; I804-F817 HydrophobicContact CD1-CD1 3.84Å; I804-F817 HydrophobicContact CD1-CD2 4.19Å; I804-F817 HydrophobicContact CD1-CE1 4.41Å; I804-F817 HydrophobicContact CD1-CG 3.72Å; C813-F817 WeakPolarHBondContact O-CB 3.23Å; C813-F817 PolarHBondContact O-N 2.81Å; F815-F817 VanDerWaalsContact C-N 3.27Å; F815-F817 PolarHBondContact O-N 2.86Å; F817-G819 VanDerWaalsContact C-N 3.31Å; F817-G819 PolarHBondContact O-N 2.87Å; F817-L820 PolarHBondContact O-N 2.83Å; F817-C821 PolarHBondContact O-N 2.98Å; F817-C821 PolarHBondContact O-SG 3.2Å |
| 818 | A | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A669 I672 T736 T814 F815 C821 N822 | A669-A818 HydrophobicContact CB-CB 3.97Å; A669-A818 WeakPolarHBondContact CB-O 3.48Å; I672-A818 HydrophobicContact CB-CB 4.1Å; I672-A818 HydrophobicContact CD1-CB 3.92Å; I672-A818 HydrophobicContact CG2-CB 3.9Å; T736-A818 HydrophobicContact CG2-CB 4.12Å; T814-A818 PolarHBondContact O-N 2.95Å; T814-A818 VanDerWaalsContact O-N 3.15Å; F815-A818 PolarHBondContact O-N 3.45Å; F815-A818 VanDerWaalsContact O-N 3.15Å; A818-C821 PolarHBondContact O-N 3.41Å; A818-N822 PolarHBondContact O-N 3.05Å; A818-N822 VanDerWaalsContact O-N 3.1Å |
| 819 | G | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F815 L816 F817 N822 I823 | F815-G819 PolarHBondContact O-N 2.87Å; L816-G819 PolarHBondContact O-N 3.08Å; F817-G819 VanDerWaalsContact C-N 3.31Å; F817-G819 PolarHBondContact O-N 2.87Å; G819-N822 PolarHBondContact O-N 2.95Å; G819-I823 WeakPolarHBondContact O-CG1 3.49Å; G819-I823 PolarHBondContact O-N 3.36Å |
| 820 | L | 95.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 32 Ų | 32 | 50% | 0.503 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 176 | -71.3 | 169.7 | 0 | 0 | 0 | 112.5 | L816 F817 N822 I823 I824 | L816-L820 WeakPolarHBondContact O-CG 3.5Å; L816-L820 PolarHBondContact O-N 2.81Å; F817-L820 PolarHBondContact O-N 2.83Å; L820-N822 VanDerWaalsContact C-N 3.31Å; L820-N822 PolarHBondContact O-N 2.78Å; L820-I823 PolarHBondContact O-N 3.48Å; L820-I824 WeakPolarHBondContact O-CG1 3.34Å; L820-I824 PolarHBondContact O-N 3.14Å |
| 821 | C | 95.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.7 | -44 | 173.1 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | L665 F817 A818 I824 S825 | L665-C821 HydrophobicContact CD2-CB 4.39Å; F817-C821 PolarHBondContact O-N 2.98Å; F817-C821 PolarHBondContact O-SG 3.2Å; A818-C821 PolarHBondContact O-N 3.41Å; C821-I824 PolarHBondContact O-N 3.27Å; C821-S825 WeakPolarHBondContact O-CB 3.47Å; C821-S825 PolarHBondContact O-N 3.41Å |
| 822 | N | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.4 | -33 | 177.4 | -77.9 | -17.8 | 0 | 0 | 0 | 113.3 | A669 S733 A818 G819 L820 S825 A826 | A669-N822 WeakPolarHBondContact CB-ND2 3.18Å; A669-N822 WeakPolarHBondContact CB-OD1 3.49Å; S733-N822 WeakPolarHBondContact OG-CB 3.45Å; A818-N822 PolarHBondContact O-N 3.05Å; A818-N822 VanDerWaalsContact O-N 3.1Å; G819-N822 PolarHBondContact O-N 2.95Å; L820-N822 VanDerWaalsContact C-N 3.31Å; L820-N822 PolarHBondContact O-N 2.78Å; N822-S825 WeakPolarHBondContact O-CB 3.3Å; N822-S825 PolarHBondContact O-N 3.43Å; N822-A826 WeakPolarHBondContact O-CB 3.47Å; N822-A826 PolarHBondContact O-N 3.06Å |
| 823 | I | 95.8 | Very high | 93.3 | Very high | 47 Ų | 47 | 30.4 Ų | 30.4 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 171.7 | -69.7 | 174.4 | 0 | 0 | 0 | 110.5 | F730 S733 I737 G819 L820 S825 A826 I827 | F730-I823 HydrophobicContact CE1-CG2 4.43Å; S733-I823 PolarHBondContact OG-N 2.79Å; I737-I823 HydrophobicContact CD1-CD1 3.74Å; G819-I823 WeakPolarHBondContact O-CG1 3.49Å; G819-I823 PolarHBondContact O-N 3.36Å; L820-I823 PolarHBondContact O-N 3.48Å; I823-S825 VanDerWaalsContact C-N 3.33Å; I823-S825 PolarHBondContact O-N 2.89Å; I823-A826 PolarHBondContact O-N 2.84Å; I823-I827 HydrophobicContact CG2-CD1 3.78Å; I823-I827 HydrophobicContact CG2-CG1 4.44Å; I823-I827 VanDerWaalsContact O-CG1 3.29Å; I823-I827 WeakPolarHBondContact O-CG1 3.27Å; I823-I827 PolarHBondContact O-N 3.2Å |
| 824 | I | 95.6 | Very high | 93.1 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 45% | 0.446 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.6 | -42 | 179.8 | -62.2 | 165.4 | 0 | 0 | 0 | 110.2 | L665 L820 C821 I827 I828 | L665-I824 HydrophobicContact CD1-CB 4.08Å; L665-I824 HydrophobicContact CD1-CG2 3.56Å; L820-I824 WeakPolarHBondContact O-CG1 3.34Å; L820-I824 PolarHBondContact O-N 3.14Å; C821-I824 PolarHBondContact O-N 3.27Å; I824-I827 PolarHBondContact O-N 3.41Å; I824-I828 HydrophobicContact CG2-CD1 4.13Å; I824-I828 VanDerWaalsContact O-CG1 3.31Å; I824-I828 WeakPolarHBondContact O-CG1 3.45Å; I824-I828 PolarHBondContact O-N 3.3Å |
| 825 | S | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 171.6 | 162.1 | 0 | 0 | 0 | 0 | 112.2 | N662 C821 N822 I823 I827 I828 I829 | N662-S825 WeakPolarHBondContact OD1-CB 3.31Å; N662-S825 PolarHBondContact OD1-O 2.9Å; N662-S825 PolarHBondContact OD1-OG 3.12Å; C821-S825 WeakPolarHBondContact O-CB 3.47Å; C821-S825 PolarHBondContact O-N 3.41Å; N822-S825 WeakPolarHBondContact O-CB 3.3Å; N822-S825 PolarHBondContact O-N 3.43Å; I823-S825 VanDerWaalsContact C-N 3.33Å; I823-S825 PolarHBondContact O-N 2.89Å; S825-I827 PolarHBondContact O-N 2.84Å; S825-I828 PolarHBondContact O-N 3.1Å; S825-I829 PolarHBondContact O-N 2.9Å; S825-I829 VanDerWaalsContact O-N 3.11Å |
| 826 | A | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L729 F730 N822 I823 I829 T830 | L729-A826 HydrophobicContact CB-CB 3.77Å; F730-A826 HydrophobicContact CD1-CB 3.87Å; F730-A826 HydrophobicContact CD2-CB 3.72Å; F730-A826 HydrophobicContact CE1-CB 3.82Å; F730-A826 HydrophobicContact CE2-CB 3.67Å; F730-A826 HydrophobicContact CG-CB 3.82Å; F730-A826 HydrophobicContact CZ-CB 3.72Å; N822-A826 WeakPolarHBondContact O-CB 3.47Å; N822-A826 PolarHBondContact O-N 3.06Å; I823-A826 PolarHBondContact O-N 2.84Å; A826-I829 PolarHBondContact O-N 2.72Å; A826-T830 WeakPolarHBondContact O-CB 3.25Å; A826-T830 PolarHBondContact O-N 3.43Å; A826-T830 PolarHBondContact O-OG1 3.35Å |
| 827 | I | 95 | Very high | 91.2 | Very high | 86 Ų | 86 | 43 Ų | 43 | 44% | 0.441 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -45.1 | 174.7 | -69 | 165.9 | 0 | 0 | 0 | 110.7 | F730 I823 I824 S825 I829 T830 V831 | F730-I827 HydrophobicContact CE1-CG1 4.3Å; F730-I827 HydrophobicContact CZ-CG1 3.95Å; I823-I827 HydrophobicContact CG2-CD1 3.78Å; I823-I827 HydrophobicContact CG2-CG1 4.44Å; I823-I827 VanDerWaalsContact O-CG1 3.29Å; I823-I827 WeakPolarHBondContact O-CG1 3.27Å; I823-I827 PolarHBondContact O-N 3.2Å; I824-I827 PolarHBondContact O-N 3.41Å; S825-I827 PolarHBondContact O-N 2.84Å; I827-I829 PolarHBondContact O-N 3.26Å; I827-T830 WeakPolarHBondContact O-CB 3.16Å; I827-T830 PolarHBondContact O-N 3.36Å; I827-V831 WeakPolarHBondContact O-CG2 3.48Å; I827-V831 PolarHBondContact O-N 3.17Å |
| 828 | I | 93.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 178.5 | -68.5 | 162.9 | 0 | 0 | 0 | 111.1 | S658 I661 N662 L665 I824 S825 T830 V831 H832 | S658-I828 WeakPolarHBondContact O-CG2 3.39Å; I661-I828 HydrophobicContact CG2-CD1 4.15Å; N662-I828 HydrophobicContact CB-CB 4.26Å; N662-I828 HydrophobicContact CB-CD1 4.3Å; N662-I828 HydrophobicContact CB-CG2 3.9Å; L665-I828 HydrophobicContact CD1-CD1 4.07Å; I824-I828 HydrophobicContact CG2-CD1 4.13Å; I824-I828 VanDerWaalsContact O-CG1 3.31Å; I824-I828 WeakPolarHBondContact O-CG1 3.45Å; I824-I828 PolarHBondContact O-N 3.3Å; S825-I828 PolarHBondContact O-N 3.1Å; I828-T830 VanDerWaalsContact C-N 3.32Å; I828-T830 PolarHBondContact O-N 3.08Å; I828-V831 PolarHBondContact O-N 3.23Å; I828-H832 PolarHBondContact O-CD2 3.25Å; I828-H832 PolarHBondContact O-N 3.19Å |
| 829 | I | 92.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.6 | -32.1 | 178.6 | -61.6 | -61.6 | 0 | 0 | 0 | 111.9 | F659 N662 R722 A726 S825 A826 I827 H832 A833 | F659-I829 HydrophobicContact CD2-CD1 3.85Å; F659-I829 HydrophobicContact CE2-CD1 3.99Å; N662-I829 HydrophobicContact CB-CD1 4.42Å; N662-I829 WeakPolarHBondContact OD1-CG1 3.48Å; R722-I829 HydrophobicContact CB-CG2 4.2Å; R722-I829 WeakPolarHBondContact O-CG2 3.21Å; A726-I829 HydrophobicContact CB-CB 4.23Å; A726-I829 HydrophobicContact CB-CG2 4Å; S825-I829 PolarHBondContact O-N 2.9Å; S825-I829 VanDerWaalsContact O-N 3.11Å; A826-I829 PolarHBondContact O-N 2.72Å; I827-I829 PolarHBondContact O-N 3.26Å; I829-H832 WeakPolarHBondContact O-CB 3.28Å; I829-H832 PolarHBondContact O-N 3.45Å; I829-A833 PolarHBondContact O-N 2.9Å |
| 830 | T | 92.5 | Very high | 87.9 | Confident | 37 Ų | 37 | 51.4 Ų | 51.4 | 23% | 0.227 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 171.8 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | A726 A826 I827 I828 H832 A833 L834 | A726-T830 WeakPolarHBondContact CB-OG1 3.17Å; A826-T830 WeakPolarHBondContact O-CB 3.25Å; A826-T830 PolarHBondContact O-N 3.43Å; A826-T830 PolarHBondContact O-OG1 3.35Å; I827-T830 WeakPolarHBondContact O-CB 3.16Å; I827-T830 PolarHBondContact O-N 3.36Å; I828-T830 VanDerWaalsContact C-N 3.32Å; I828-T830 PolarHBondContact O-N 3.08Å; T830-H832 VanDerWaalsContact C-N 3.29Å; T830-H832 PolarHBondContact O-N 3.29Å; T830-A833 WeakPolarHBondContact O-CB 3.4Å; T830-A833 PolarHBondContact O-N 3.5Å; T830-A833 VanDerWaalsContact O-N 3.17Å; T830-L834 HydrophobicContact CG2-CD1 4.28Å; T830-L834 WeakPolarHBondContact O-CG 3.33Å; T830-L834 PolarHBondContact O-N 3.27Å |
| 831 | V | 91.4 | Very high | 86.6 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | I827 I828 A833 L834 I835 | I827-V831 WeakPolarHBondContact O-CG2 3.48Å; I827-V831 PolarHBondContact O-N 3.17Å; I828-V831 PolarHBondContact O-N 3.23Å; V831-A833 PolarHBondContact O-N 3.21Å; V831-L834 PolarHBondContact O-N 3.4Å; V831-I835 HydrophobicContact CG1-CD1 3.73Å; V831-I835 HydrophobicContact CG1-CG1 4.33Å; V831-I835 VanDerWaalsContact O-CG1 3.3Å; V831-I835 WeakPolarHBondContact O-CG1 3.09Å; V831-I835 PolarHBondContact O-N 3.4Å |
| 832 | H | 87.6 | Confident | 85.1 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.028 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 173.9 | -83.7 | -134.8 | 0 | 0 | 0 | 113.3 | L655 S658 I828 I829 T830 K836 | L655-H832 PolarHBondContact O-CE1 3.11Å; L655-H832 PolarHBondContact O-NE2 3.09Å; S658-H832 PolarHBondContact OG-NE2 2.88Å; I828-H832 PolarHBondContact O-CD2 3.25Å; I828-H832 PolarHBondContact O-N 3.19Å; I829-H832 WeakPolarHBondContact O-CB 3.28Å; I829-H832 PolarHBondContact O-N 3.45Å; T830-H832 VanDerWaalsContact C-N 3.29Å; T830-H832 PolarHBondContact O-N 3.29Å; H832-K836 PolarHBondContact O-N 3.45Å |
| 833 | A | 86.5 | Confident | 83.4 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R722 L723 I829 T830 V831 I835 K836 F837 | R722-A833 HydrophobicContact CB-CB 4.09Å; L723-A833 HydrophobicContact CB-CB 4.43Å; I829-A833 PolarHBondContact O-N 2.9Å; T830-A833 WeakPolarHBondContact O-CB 3.4Å; T830-A833 PolarHBondContact O-N 3.5Å; T830-A833 VanDerWaalsContact O-N 3.17Å; V831-A833 PolarHBondContact O-N 3.21Å; A833-I835 PolarHBondContact O-N 3.14Å; A833-K836 PolarHBondContact O-N 3.33Å; A833-F837 WeakPolarHBondContact O-CB 3.38Å; A833-F837 PolarHBondContact O-N 3.28Å |
| 834 | L | 86.8 | Confident | 81.7 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 178.1 | -68.1 | 173 | 0 | 0 | 0 | 113 | T830 V831 F837 N838 | T830-L834 HydrophobicContact CG2-CD1 4.28Å; T830-L834 WeakPolarHBondContact O-CG 3.33Å; T830-L834 PolarHBondContact O-N 3.27Å; V831-L834 PolarHBondContact O-N 3.4Å; L834-F837 PolarHBondContact O-N 2.63Å; L834-N838 WeakPolarHBondContact O-CB 3.01Å; L834-N838 PolarHBondContact O-N 2.79Å; L834-N838 PolarHBondContact O-ND2 2.61Å |
| 835 | I | 84.9 | Confident | 79.7 | Confident | 64 Ų | 64 | 68 Ų | 68 | 33% | 0.328 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.9 | -71.2 | 167.1 | 0 | 0 | 0 | 110.7 | L655 V831 A833 F837 N838 L839 | L655-I835 HydrophobicContact CD1-CG2 4.43Å; L655-I835 HydrophobicContact CD2-CD1 3.87Å; L655-I835 HydrophobicContact CD2-CG2 4.4Å; V831-I835 HydrophobicContact CG1-CD1 3.73Å; V831-I835 HydrophobicContact CG1-CG1 4.33Å; V831-I835 VanDerWaalsContact O-CG1 3.3Å; V831-I835 WeakPolarHBondContact O-CG1 3.09Å; V831-I835 PolarHBondContact O-N 3.4Å; A833-I835 PolarHBondContact O-N 3.14Å; I835-F837 PolarHBondContact O-N 2.64Å; I835-N838 PolarHBondContact O-N 2.96Å; I835-L839 HydrophobicContact CG2-CD1 3.84Å; I835-L839 WeakPolarHBondContact O-CB 3.44Å; I835-L839 WeakPolarHBondContact O-CG 3.49Å; I835-L839 PolarHBondContact O-N 3.2Å |
| 836 | K | 77.4 | Confident | 77.6 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 35% | 0.348 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.3 | -176.4 | -173.9 | 171.9 | -161.4 | 0 | 111.3 | D720 H832 A833 L839 F840 | D720-K836 IonicContact OD1-NZ 3.66Å; D720-K836 IonicContact OD2-NZ 2.8Å; D720-K836 PolarHBondContact OD2-NZ 2.97Å; H832-K836 PolarHBondContact O-N 3.45Å; A833-K836 PolarHBondContact O-N 3.33Å; K836-L839 PolarHBondContact O-N 3.46Å; K836-F840 PolarHBondContact O-N 2.67Å |
| 837 | F | 78.1 | Confident | 75.3 | Confident | 132 Ų | 132 | 73.4 Ų | 73.4 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62 | -45 | 178.1 | -174.3 | -98.4 | 0 | 0 | 0 | 112.7 | A833 L834 I835 F840 K841 | A833-F837 WeakPolarHBondContact O-CB 3.38Å; A833-F837 PolarHBondContact O-N 3.28Å; L834-F837 PolarHBondContact O-N 2.63Å; I835-F837 PolarHBondContact O-N 2.64Å; F837-F840 PolarHBondContact O-N 3.04Å; F837-K841 WeakPolarHBondContact O-CB 3.37Å; F837-K841 PolarHBondContact O-N 3.09Å |
| 838 | N | 77 | Confident | 73.1 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.8 | -37 | 179 | -77.8 | -32.1 | 0 | 0 | 0 | 113.1 | L834 I835 K841 R842 | L834-N838 WeakPolarHBondContact O-CB 3.01Å; L834-N838 PolarHBondContact O-N 2.79Å; L834-N838 PolarHBondContact O-ND2 2.61Å; I835-N838 PolarHBondContact O-N 2.96Å; N838-K841 PolarHBondContact O-N 2.94Å; N838-R842 WeakPolarHBondContact O-CG 3.35Å; N838-R842 PolarHBondContact O-N 2.66Å |
| 839 | L | 69.5 | Low | 70.8 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 34% | 0.34 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 172.7 | -79 | 163.5 | 0 | 0 | 0 | 111.3 | F648 I835 K836 K841 R842 L843 | F648-L839 HydrophobicContact CE2-CD1 4.12Å; F648-L839 HydrophobicContact CE2-CD2 4.42Å; I835-L839 HydrophobicContact CG2-CD1 3.84Å; I835-L839 WeakPolarHBondContact O-CB 3.44Å; I835-L839 WeakPolarHBondContact O-CG 3.49Å; I835-L839 PolarHBondContact O-N 3.2Å; K836-L839 PolarHBondContact O-N 3.46Å; L839-K841 VanDerWaalsContact C-N 3.35Å; L839-K841 PolarHBondContact O-N 3.4Å; L839-R842 PolarHBondContact O-N 2.79Å; L839-L843 WeakPolarHBondContact O-CG 3.38Å; L839-L843 PolarHBondContact O-N 3.07Å |
| 840 | F | 67.8 | Low | 68.6 | Low | 81 Ų | 81 | 86.1 Ų | 86.1 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.7 | -169.9 | -96.7 | 0 | 0 | 0 | 111.9 | E272 K836 F837 R842 L843 K844 | E272-F840 HydrophobicContact CG-CE2 3.83Å; K836-F840 PolarHBondContact O-N 2.67Å; F837-F840 PolarHBondContact O-N 3.04Å; F840-R842 PolarHBondContact O-N 3.27Å; F840-L843 PolarHBondContact O-N 3.38Å; F840-K844 PolarHBondContact O-N 3.19Å |
| 841 | K | 69.6 | Low | 66.3 | Low | 118 Ų | 118 | 89 Ų | 89 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.3 | -170 | 175.1 | -178.5 | 178.8 | 0 | 112.6 | F837 N838 L839 K844 Q845 | F837-K841 WeakPolarHBondContact O-CB 3.37Å; F837-K841 PolarHBondContact O-N 3.09Å; N838-K841 PolarHBondContact O-N 2.94Å; L839-K841 VanDerWaalsContact C-N 3.35Å; L839-K841 PolarHBondContact O-N 3.4Å; K841-K844 PolarHBondContact O-N 3.17Å; K841-Q845 WeakPolarHBondContact O-CG 3.48Å; K841-Q845 PolarHBondContact O-N 3.29Å |
| 842 | R | 62.6 | Low | 63.6 | Low | 181 Ų | 181 | 95.3 Ų | 95.3 | 68% | 0.683 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 176.2 | -76.1 | -176.7 | 178.6 | -167.6 | 0.2 | 112.4 | N838 L839 F840 K844 Q845 C846 | N838-R842 WeakPolarHBondContact O-CG 3.35Å; N838-R842 PolarHBondContact O-N 2.66Å; L839-R842 PolarHBondContact O-N 2.79Å; F840-R842 PolarHBondContact O-N 3.27Å; R842-K844 VanDerWaalsContact C-N 3.3Å; R842-K844 PolarHBondContact O-N 2.65Å; R842-Q845 PolarHBondContact O-N 3.39Å; R842-C846 PolarHBondContact O-N 3.1Å; R842-C846 PolarHBondContact O-SG 2.97Å; R842-C846 VanDerWaalsContact O-SG 3.41Å |
| 843 | L | 58.7 | Low | 62.4 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 45% | 0.45 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 176.1 | -73.1 | 169.4 | 0 | 0 | 0 | 111.2 | L839 F840 Q845 C846 C847 | L839-L843 WeakPolarHBondContact O-CG 3.38Å; L839-L843 PolarHBondContact O-N 3.07Å; F840-L843 PolarHBondContact O-N 3.38Å; L843-Q845 PolarHBondContact O-N 3.16Å; L843-C846 PolarHBondContact O-N 3.44Å; L843-C847 PolarHBondContact O-N 3.36Å; L843-C847 VanDerWaalsContact O-N 3.11Å |
| 844 | K | 61.1 | Low | 61.1 | Low | 83 Ų | 83 | 104.4 Ų | 104.4 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.4 | -166.6 | 175.9 | -178.4 | -175.5 | 0 | 112.1 | F840 K841 R842 C846 C847 C848 | F840-K844 PolarHBondContact O-N 3.19Å; K841-K844 PolarHBondContact O-N 3.17Å; R842-K844 VanDerWaalsContact C-N 3.3Å; R842-K844 PolarHBondContact O-N 2.65Å; K844-C846 PolarHBondContact O-N 3.06Å; K844-C847 PolarHBondContact O-N 3.17Å; K844-C848 PolarHBondContact O-N 3.01Å; K844-C848 PolarHBondContact O-SG 3.19Å |
| 845 | Q | 53.8 | Low | 59.7 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 176.6 | -75.8 | 179 | -36.1 | 0 | 0 | 113.5 | K841 R842 L843 C847 C848 K849 | K841-Q845 WeakPolarHBondContact O-CG 3.48Å; K841-Q845 PolarHBondContact O-N 3.29Å; R842-Q845 PolarHBondContact O-N 3.39Å; L843-Q845 PolarHBondContact O-N 3.16Å; Q845-C847 VanDerWaalsContact C-N 3.33Å; Q845-C848 PolarHBondContact O-N 3.14Å; Q845-K849 PolarHBondContact O-N 3.47Å |
| 846 | C | 48.1 | Very low | 58.2 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 52% | 0.52 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -33.2 | 175.5 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | R842 L843 K844 | R842-C846 PolarHBondContact O-N 3.1Å; R842-C846 PolarHBondContact O-SG 2.97Å; R842-C846 VanDerWaalsContact O-SG 3.41Å; L843-C846 PolarHBondContact O-N 3.44Å; K844-C846 PolarHBondContact O-N 3.06Å |
| 847 | C | 47.8 | Very low | 57 | Low | 38 Ų | 38 | 109.1 Ų | 109.1 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -50.5 | 170.6 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | Q267 L843 K844 Q845 K849 H850 | Q267-C847 PolarHBondContact NE2-O 3.24Å; L843-C847 PolarHBondContact O-N 3.36Å; L843-C847 VanDerWaalsContact O-N 3.11Å; K844-C847 PolarHBondContact O-N 3.17Å; Q845-C847 VanDerWaalsContact C-N 3.33Å; C847-K849 VanDerWaalsContact C-N 3.29Å; C847-K849 PolarHBondContact O-N 3.03Å; C847-H850 PolarHBondContact O-N 3.44Å |
| 848 | C | 47.9 | Very low | 55.6 | Low | 48 Ų | 48 | 107.5 Ų | 107.5 | 32% | 0.324 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.7 | -41.1 | -176.3 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | Q267 K844 Q845 H850 N851 | Q267-C848 VanDerWaalsContact OE1-CA 3.25Å; Q267-C848 PolarHBondContact OE1-SG 3.43Å; K844-C848 PolarHBondContact O-N 3.01Å; K844-C848 PolarHBondContact O-SG 3.19Å; Q845-C848 PolarHBondContact O-N 3.14Å; C848-H850 PolarHBondContact O-N 2.7Å; C848-N851 PolarHBondContact O-N 2.89Å |
| 849 | K | 45.2 | Very low | 54.1 | Low | 174 Ų | 174 | 109 Ų | 109 | 76% | 0.757 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -1.4 | 176.9 | -83.2 | -163.3 | 170 | -161.9 | 0 | 116.5 | Q845 C847 | Q845-K849 PolarHBondContact O-N 3.47Å; C847-K849 VanDerWaalsContact C-N 3.29Å; C847-K849 PolarHBondContact O-N 3.03Å |
| 850 | H | 46.6 | Very low | 52.9 | Low | 163 Ų | 163 | 112.4 Ų | 112.4 | 76% | 0.755 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 5.2 | 179.7 | -113.2 | -53.9 | 0 | 0 | 0 | 113.5 | C847 C848 | C847-H850 PolarHBondContact O-N 3.44Å; C848-H850 PolarHBondContact O-N 2.7Å |
| 851 | N | 43.9 | Very low | 51.6 | Low | 96 Ų | 96 | 115 Ų | 115 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | trans | -111.9 | -1.9 | 170.7 | -90.1 | 59.5 | 0 | 0 | 0 | 112.8 | Q267 C848 | Q267-N851 PolarHBondContact NE2-OD1 3.05Å; C848-N851 PolarHBondContact O-N 2.89Å | ||
| 852 | D | 34.4 | Very low | 50 | Low | 201 Ų | 201 | 114.7 Ų | 114.7 | 100% | 1.075 | 57% | 0.567 | S | S | * | * | trans | -96.1 | 0 | 162 | -60.7 | -37.4 | 0 | 0 | 0 | 108.5 |
Retrieved 852 of 852 residues in 321.6 ms
(Link to these results)