| 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 | 66.1 | Low | 75.7 | Confident | 242 Ų | 242 | 118 Ų | 118 | 100% | 1.192 | 62% | 0.617 | S | S | * | * | 0 | 123.4 | 0 | -71.7 | 172.9 | 173.7 | 0 | 0 | 106.6 | |||||
| 2 | L | 63.8 | Low | 75.9 | Confident | 113 Ų | 113 | 116.2 Ų | 116.2 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | trans | -65.7 | 142.8 | 175.9 | -88.2 | 115.1 | 0 | 0 | 0 | 109.7 | E6 I10 | L2-E6 HydrophobicContact CD2-CB 3.97Å; L2-I10 HydrophobicContact CD2-CD1 4.21Å | ||
| 3 | P | 82.4 | Confident | 76.4 | Confident | 69 Ų | 69 | 113.9 Ų | 113.9 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | trans | -53.7 | 139.3 | 168.4 | -18.8 | 28.8 | 0 | 0 | 0 | 110.5 | Q5 E6 A7 | P3-Q5 PolarHBondContact O-N 3.14Å; P3-Q5 VanDerWaalsContact O-N 3.1Å; P3-E6 HydrophobicContact CB-CG 4.37Å; P3-E6 WeakPolarHBondContact CD-OE2 3.34Å; P3-E6 HydrophobicContact CG-CG 4.26Å; P3-E6 PolarHBondContact O-N 3.35Å; P3-A7 PolarHBondContact O-N 3.36Å; P3-A7 VanDerWaalsContact O-N 3.14Å | ||
| 4 | A | 77.8 | Confident | 76.8 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -55.2 | -33.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A8 | A4-A8 WeakPolarHBondContact O-CB 3.31Å; A4-A8 PolarHBondContact O-N 3.01Å |
| 5 | Q | 78.2 | Confident | 77 | Confident | 171 Ų | 171 | 107.6 Ų | 107.6 | 80% | 0.799 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.8 | -39 | 176 | -83.4 | 178.1 | -46.7 | 0 | 0 | 113.6 | P3 A8 K9 | P3-Q5 PolarHBondContact O-N 3.14Å; P3-Q5 VanDerWaalsContact O-N 3.1Å; Q5-A8 PolarHBondContact O-N 3.1Å; Q5-K9 WeakPolarHBondContact O-CB 3.47Å; Q5-K9 PolarHBondContact O-N 3.05Å |
| 6 | E | 77.6 | Confident | 77.2 | Confident | 108 Ų | 108 | 102.9 Ų | 102.9 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.3 | -40.4 | 178.8 | -69.5 | -175.2 | 169.5 | 0 | 0 | 111.1 | L2 P3 K9 I10 | L2-E6 HydrophobicContact CD2-CB 3.97Å; P3-E6 HydrophobicContact CB-CG 4.37Å; P3-E6 WeakPolarHBondContact CD-OE2 3.34Å; P3-E6 HydrophobicContact CG-CG 4.26Å; P3-E6 PolarHBondContact O-N 3.35Å; E6-K9 PolarHBondContact O-N 3.01Å; E6-I10 VanDerWaalsContact O-CG1 3.31Å; E6-I10 WeakPolarHBondContact O-CG1 2.96Å; E6-I10 PolarHBondContact O-N 3.46Å |
| 7 | A | 75.4 | Confident | 77.6 | Confident | 28 Ų | 28 | 106.4 Ų | 106.4 | 23% | 0.231 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -57.6 | -50.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P3 K9 I10 Y11 | P3-A7 PolarHBondContact O-N 3.36Å; P3-A7 VanDerWaalsContact O-N 3.14Å; A7-K9 VanDerWaalsContact C-N 3.34Å; A7-K9 PolarHBondContact O-N 3Å; A7-I10 PolarHBondContact O-N 3.05Å; A7-Y11 HydrophobicContact CB-CD2 4.38Å; A7-Y11 HydrophobicContact CB-CE2 4.18Å; A7-Y11 WeakPolarHBondContact O-CD2 3.41Å; A7-Y11 PolarHBondContact O-N 3.1Å |
| 8 | A | 77.2 | Confident | 78.1 | Confident | 57 Ų | 57 | 105.6 Ų | 105.6 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A4 Q5 Y11 H12 | A4-A8 WeakPolarHBondContact O-CB 3.31Å; A4-A8 PolarHBondContact O-N 3.01Å; Q5-A8 PolarHBondContact O-N 3.1Å; A8-Y11 PolarHBondContact O-N 3Å; A8-H12 WeakPolarHBondContact O-CB 3.37Å; A8-H12 PolarHBondContact O-N 3.35Å |
| 9 | K | 78.8 | Confident | 78.4 | Confident | 158 Ų | 158 | 100.7 Ų | 100.7 | 69% | 0.687 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 177 | -170.2 | 176.3 | -177.9 | 178.9 | 0 | 112 | Q5 E6 A7 H12 T13 | Q5-K9 WeakPolarHBondContact O-CB 3.47Å; Q5-K9 PolarHBondContact O-N 3.05Å; E6-K9 PolarHBondContact O-N 3.01Å; A7-K9 VanDerWaalsContact C-N 3.34Å; A7-K9 PolarHBondContact O-N 3Å; K9-H12 PolarHBondContact O-N 3.31Å; K9-T13 PolarHBondContact O-N 3.42Å; K9-T13 PolarHBondContact O-OG1 2.93Å; K9-T13 VanDerWaalsContact O-OG1 3.1Å |
| 10 | I | 78.1 | Confident | 78.7 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 177.1 | -66.3 | 165.5 | 0 | 0 | 0 | 110.8 | L2 E6 A7 H12 T13 N14 | L2-I10 HydrophobicContact CD2-CD1 4.21Å; E6-I10 VanDerWaalsContact O-CG1 3.31Å; E6-I10 WeakPolarHBondContact O-CG1 2.96Å; E6-I10 PolarHBondContact O-N 3.46Å; A7-I10 PolarHBondContact O-N 3.05Å; I10-H12 VanDerWaalsContact C-N 3.35Å; I10-H12 PolarHBondContact O-N 3.44Å; I10-T13 PolarHBondContact O-N 3.48Å; I10-N14 WeakPolarHBondContact O-CB 3.5Å; I10-N14 PolarHBondContact O-N 3.22Å; I10-N14 PolarHBondContact O-ND2 2.94Å |
| 11 | Y | 77.5 | Confident | 79.2 | Confident | 175 Ų | 175 | 102.6 Ų | 102.6 | 69% | 0.686 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.1 | -45.8 | 174.9 | -77.3 | -66.4 | 0 | 0 | 0 | 111.3 | A7 A8 N14 Y15 | A7-Y11 HydrophobicContact CB-CD2 4.38Å; A7-Y11 HydrophobicContact CB-CE2 4.18Å; A7-Y11 WeakPolarHBondContact O-CD2 3.41Å; A7-Y11 PolarHBondContact O-N 3.1Å; A8-Y11 PolarHBondContact O-N 3Å; Y11-N14 PolarHBondContact O-N 3.38Å; Y11-Y15 WeakPolarHBondContact O-CB 3.36Å; Y11-Y15 PolarHBondContact O-N 3.49Å |
| 12 | H | 78.3 | Confident | 80.3 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 178.9 | -172.9 | -92.6 | 0 | 0 | 0 | 112.4 | A8 K9 I10 N14 Y15 V16 L203 | A8-H12 WeakPolarHBondContact O-CB 3.37Å; A8-H12 PolarHBondContact O-N 3.35Å; K9-H12 PolarHBondContact O-N 3.31Å; I10-H12 VanDerWaalsContact C-N 3.35Å; I10-H12 PolarHBondContact O-N 3.44Å; H12-N14 PolarHBondContact O-N 3.01Å; H12-Y15 PolarHBondContact O-N 3.28Å; H12-V16 WeakPolarHBondContact O-CG2 3.33Å; H12-V16 PolarHBondContact O-N 3.42Å; H12-L203 WeakPolarHBondContact NE2-CD2 3.17Å |
| 13 | T | 82 | Confident | 81.4 | Confident | 87 Ų | 87 | 88.2 Ų | 88.2 | 53% | 0.534 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | K9 I10 Y15 V16 R17 | K9-T13 PolarHBondContact O-N 3.42Å; K9-T13 PolarHBondContact O-OG1 2.93Å; K9-T13 VanDerWaalsContact O-OG1 3.1Å; I10-T13 PolarHBondContact O-N 3.48Å; T13-Y15 VanDerWaalsContact C-N 3.32Å; T13-Y15 PolarHBondContact O-N 2.87Å; T13-V16 PolarHBondContact O-N 2.98Å; T13-R17 PolarHBondContact O-N 2.91Å; T13-R17 VanDerWaalsContact O-N 3.1Å |
| 14 | N | 82.7 | Confident | 81.8 | Confident | 60 Ų | 60 | 89.2 Ų | 89.2 | 32% | 0.321 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.2 | -78 | -35.1 | 0 | 0 | 0 | 111.6 | I10 Y11 H12 R17 N18 | I10-N14 WeakPolarHBondContact O-CB 3.5Å; I10-N14 PolarHBondContact O-N 3.22Å; I10-N14 PolarHBondContact O-ND2 2.94Å; Y11-N14 PolarHBondContact O-N 3.38Å; H12-N14 PolarHBondContact O-N 3.01Å; N14-R17 PolarHBondContact O-N 3.43Å; N14-R17 PolarHBondContact OD1-NH2 3.01Å; N14-N18 WeakPolarHBondContact O-CB 3.35Å; N14-N18 PolarHBondContact O-N 3.49Å; N14-N18 PolarHBondContact O-ND2 3.4Å; N14-N18 PolarHBondContact O-OD1 2.86Å |
| 15 | Y | 79.6 | Confident | 82.4 | Confident | 73 Ų | 73 | 89.3 Ų | 89.3 | 29% | 0.286 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 178.3 | -176.4 | -91.1 | 0 | 0 | 0 | 112.1 | Y11 H12 T13 R17 N18 A19 R199 L203 | Y11-Y15 WeakPolarHBondContact O-CB 3.36Å; Y11-Y15 PolarHBondContact O-N 3.49Å; H12-Y15 PolarHBondContact O-N 3.28Å; T13-Y15 VanDerWaalsContact C-N 3.32Å; T13-Y15 PolarHBondContact O-N 2.87Å; Y15-R17 PolarHBondContact O-N 3.49Å; Y15-N18 PolarHBondContact O-N 3.4Å; Y15-A19 WeakPolarHBondContact O-CB 3.37Å; Y15-A19 PolarHBondContact O-N 2.97Å; Y15-R199 VanDerWaalsContact OH-CB 3.29Å; Y15-R199 WeakPolarHBondContact OH-CB 3.14Å; Y15-R199 WeakPolarHBondContact OH-CD 3.08Å; Y15-R199 WeakPolarHBondContact OH-CG 3.29Å; Y15-L203 HydrophobicContact CD1-CD1 3.77Å; Y15-L203 HydrophobicContact CD1-CD2 3.52Å; Y15-L203 HydrophobicContact CD1-CG 3.95Å; Y15-L203 HydrophobicContact CE1-CD1 3.54Å; Y15-L203 HydrophobicContact CE1-CD2 3.65Å; Y15-L203 HydrophobicContact CE1-CG 3.62Å |
| 16 | V | 80.3 | Confident | 83 | Confident | 33 Ų | 33 | 81.2 Ų | 81.2 | 20% | 0.2 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | H12 T13 A19 R20 L203 | H12-V16 WeakPolarHBondContact O-CG2 3.33Å; H12-V16 PolarHBondContact O-N 3.42Å; T13-V16 PolarHBondContact O-N 2.98Å; V16-A19 PolarHBondContact O-N 3.28Å; V16-R20 WeakPolarHBondContact O-CG 3.31Å; V16-R20 PolarHBondContact O-N 3.3Å; V16-L203 HydrophobicContact CG2-CD1 4.02Å; V16-L203 HydrophobicContact CG2-CD2 3.98Å |
| 17 | R | 84 | Confident | 83.6 | Confident | 161 Ų | 161 | 77.8 Ų | 77.8 | 61% | 0.608 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 177.3 | -175.5 | 179.1 | 64.4 | -164.9 | -5.6 | 111.5 | T13 N14 Y15 R20 A21 | T13-R17 PolarHBondContact O-N 2.91Å; T13-R17 VanDerWaalsContact O-N 3.1Å; N14-R17 PolarHBondContact O-N 3.43Å; N14-R17 PolarHBondContact OD1-NH2 3.01Å; Y15-R17 PolarHBondContact O-N 3.49Å; R17-R20 PolarHBondContact O-N 3.43Å; R17-A21 PolarHBondContact O-N 3.1Å |
| 18 | N | 86.8 | Confident | 84.5 | Confident | 93 Ų | 93 | 80.8 Ų | 80.8 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 178.9 | -67.2 | -7.8 | 0 | 0 | 0 | 111.3 | N14 Y15 R20 A21 V22 | N14-N18 WeakPolarHBondContact O-CB 3.35Å; N14-N18 PolarHBondContact O-N 3.49Å; N14-N18 PolarHBondContact O-ND2 3.4Å; N14-N18 PolarHBondContact O-OD1 2.86Å; Y15-N18 PolarHBondContact O-N 3.4Å; N18-R20 PolarHBondContact O-N 3.45Å; N18-A21 PolarHBondContact O-N 3.48Å; N18-V22 VanDerWaalsContact O-CG2 3.31Å; N18-V22 WeakPolarHBondContact O-CG2 3.49Å; N18-V22 PolarHBondContact O-N 3Å |
| 19 | A | 82.7 | Confident | 85.2 | Confident | 12 Ų | 12 | 82.7 Ų | 82.7 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y15 V16 V22 G23 | Y15-A19 WeakPolarHBondContact O-CB 3.37Å; Y15-A19 PolarHBondContact O-N 2.97Å; V16-A19 PolarHBondContact O-N 3.28Å; A19-V22 PolarHBondContact O-N 3.15Å; A19-G23 PolarHBondContact O-N 2.93Å |
| 20 | R | 84.6 | Confident | 86 | Confident | 179 Ų | 179 | 75.2 Ų | 75.2 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 174.9 | -71 | 177.7 | -177.8 | -171.2 | 0.4 | 112.3 | V16 R17 N18 G23 V24 | V16-R20 WeakPolarHBondContact O-CG 3.31Å; V16-R20 PolarHBondContact O-N 3.3Å; R17-R20 PolarHBondContact O-N 3.43Å; N18-R20 PolarHBondContact O-N 3.45Å; R20-G23 PolarHBondContact O-N 3.41Å; R20-V24 WeakPolarHBondContact O-CG2 3.16Å; R20-V24 PolarHBondContact O-N 3.49Å |
| 21 | A | 88.8 | Confident | 86.7 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 51% | 0.512 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R17 N18 G23 V24 L25 | R17-A21 PolarHBondContact O-N 3.1Å; N18-A21 PolarHBondContact O-N 3.48Å; A21-G23 VanDerWaalsContact C-N 3.33Å; A21-V24 PolarHBondContact O-N 2.97Å; A21-L25 PolarHBondContact O-N 3.2Å |
| 22 | V | 88.9 | Confident | 87.5 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | N18 A19 L25 W26 L196 | N18-V22 VanDerWaalsContact O-CG2 3.31Å; N18-V22 WeakPolarHBondContact O-CG2 3.49Å; N18-V22 PolarHBondContact O-N 3Å; A19-V22 PolarHBondContact O-N 3.15Å; V22-L25 PolarHBondContact O-N 3.16Å; V22-W26 WeakPolarHBondContact O-CB 3.37Å; V22-W26 PolarHBondContact O-N 2.74Å; V22-L196 HydrophobicContact CB-CD2 4.02Å; V22-L196 HydrophobicContact CG1-CD1 4.22Å; V22-L196 HydrophobicContact CG1-CD2 3.79Å; V22-L196 HydrophobicContact CG1-CG 4.27Å |
| 23 | G | 88.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | A19 R20 A21 L25 W26 T27 | A19-G23 PolarHBondContact O-N 2.93Å; R20-G23 PolarHBondContact O-N 3.41Å; A21-G23 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.32Å; G23-W26 PolarHBondContact O-N 3.34Å; G23-T27 PolarHBondContact O-N 3.04Å; G23-T27 PolarHBondContact O-OG1 3.33Å; G23-T27 VanDerWaalsContact O-OG1 3.06Å |
| 24 | V | 89.2 | Confident | 89 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.4 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | R20 A21 W26 T27 I28 | R20-V24 WeakPolarHBondContact O-CG2 3.16Å; R20-V24 PolarHBondContact O-N 3.49Å; A21-V24 PolarHBondContact O-N 2.97Å; V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 3.3Å; V24-T27 WeakPolarHBondContact O-CB 3.43Å; V24-T27 PolarHBondContact O-N 3.43Å; V24-I28 HydrophobicContact CG1-CD1 4.03Å; V24-I28 WeakPolarHBondContact O-CG1 3.44Å; V24-I28 PolarHBondContact O-N 3.5Å |
| 25 | L | 90.9 | Very high | 89.6 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 47% | 0.466 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 176.3 | -169.4 | 94.5 | 0 | 0 | 0 | 111.1 | A21 V22 G23 T27 I28 F29 | A21-L25 PolarHBondContact O-N 3.2Å; V22-L25 PolarHBondContact O-N 3.16Å; G23-L25 PolarHBondContact O-N 3.32Å; L25-T27 VanDerWaalsContact C-N 3.35Å; L25-T27 PolarHBondContact O-N 3.15Å; L25-I28 PolarHBondContact O-N 3.37Å; L25-F29 HydrophobicContact CD1-CE2 4.17Å; L25-F29 HydrophobicContact CD1-CZ 4.23Å; L25-F29 HydrophobicContact CD2-CD2 4.13Å; L25-F29 HydrophobicContact CD2-CE2 3.45Å; L25-F29 VanDerWaalsContact CD2-CE2 3.45Å; L25-F29 HydrophobicContact CD2-CZ 4.22Å; L25-F29 HydrophobicContact CG-CD2 4Å; L25-F29 HydrophobicContact CG-CE2 3.51Å; L25-F29 HydrophobicContact CG-CZ 4.06Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 3.27Å |
| 26 | W | 91.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 177.3 | 177.2 | 79.9 | 0 | 0 | 0 | 112.3 | V22 G23 V24 F29 T30 F112 Y124 C127 L189 A193 L196 | V22-W26 WeakPolarHBondContact O-CB 3.37Å; V22-W26 PolarHBondContact O-N 2.74Å; G23-W26 PolarHBondContact O-N 3.34Å; V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 3.3Å; W26-F29 PolarHBondContact O-N 2.98Å; W26-T30 WeakPolarHBondContact O-CB 3.46Å; W26-T30 PolarHBondContact O-N 2.91Å; W26-T30 PolarHBondContact O-OG1 3.14Å; W26-F112 HydrophobicContact CD2-CZ 4.22Å; W26-F112 AromaticContact CE3-CE1 3.54Å; W26-F112 HydrophobicContact CE3-CE1 3.54Å; W26-F112 HydrophobicContact CE3-CE2 4.37Å; W26-F112 AromaticContact CE3-CZ 3.24Å; W26-F112 HydrophobicContact CE3-CZ 3.24Å; W26-F112 HydrophobicContact CH2-CE1 4.17Å; W26-F112 AromaticContact CH2-CE2 3.88Å; W26-F112 HydrophobicContact CH2-CE2 3.88Å; W26-F112 AromaticContact CH2-CZ 3.46Å; W26-F112 HydrophobicContact CH2-CZ 3.46Å; W26-F112 VanDerWaalsContact CH2-CZ 3.46Å; W26-F112 HydrophobicContact CZ2-CZ 4.42Å; W26-F112 HydrophobicContact CZ3-CD1 4.36Å; W26-F112 AromaticContact CZ3-CE1 3.19Å; W26-F112 HydrophobicContact CZ3-CE1 3.19Å; W26-F112 AromaticContact CZ3-CE2 3.69Å; W26-F112 HydrophobicContact CZ3-CE2 3.69Å; W26-F112 AromaticContact CZ3-CZ 2.82Å; W26-F112 HydrophobicContact CZ3-CZ 2.82Å; W26-Y124 AromaticContact CE3-CD1 3.99Å; W26-Y124 HydrophobicContact CE3-CD1 3.99Å; W26-Y124 AromaticContact CE3-CE1 3.74Å; W26-Y124 HydrophobicContact CE3-CE1 3.74Å; W26-Y124 HydrophobicContact CH2-CD1 4.36Å; W26-Y124 AromaticContact CZ3-CD1 3.63Å; W26-Y124 HydrophobicContact CZ3-CD1 3.63Å; W26-Y124 AromaticContact CZ3-CE1 3.68Å; W26-Y124 HydrophobicContact CZ3-CE1 3.68Å; W26-C127 HydrophobicContact CH2-CB 3.53Å; W26-C127 HydrophobicContact CZ2-CB 4.11Å; W26-L189 PolarHBondContact NE1-O 3.25Å; W26-A193 HydrophobicContact CH2-CB 4.19Å; W26-A193 HydrophobicContact CZ2-CB 3.49Å; W26-A193 VanDerWaalsContact CZ2-CB 3.49Å; W26-L196 HydrophobicContact CB-CD1 4.12Å; W26-L196 HydrophobicContact CG-CD1 4.31Å |
| 27 | T | 90.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 172.1 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | G23 V24 L25 F29 T30 I31 F112 | G23-T27 PolarHBondContact O-N 3.04Å; G23-T27 PolarHBondContact O-OG1 3.33Å; G23-T27 VanDerWaalsContact O-OG1 3.06Å; V24-T27 WeakPolarHBondContact O-CB 3.43Å; V24-T27 PolarHBondContact O-N 3.43Å; L25-T27 VanDerWaalsContact C-N 3.35Å; L25-T27 PolarHBondContact O-N 3.15Å; T27-F29 VanDerWaalsContact C-N 3.33Å; T27-F29 PolarHBondContact O-N 3.24Å; T27-T30 PolarHBondContact O-N 3.39Å; T27-I31 HydrophobicContact CG2-CD1 4Å; T27-I31 WeakPolarHBondContact O-CG1 3.34Å; T27-I31 PolarHBondContact O-N 3.44Å; T27-F112 HydrophobicContact CG2-CD1 4.06Å; T27-F112 HydrophobicContact CG2-CE1 3.85Å; T27-F112 HydrophobicContact CG2-CE2 4.3Å; T27-F112 HydrophobicContact CG2-CG 4.39Å; T27-F112 HydrophobicContact CG2-CZ 3.87Å; T27-F112 WeakPolarHBondContact OG1-CE1 3.5Å; T27-F112 WeakPolarHBondContact OG1-CZ 2.97Å |
| 28 | I | 92.5 | Very high | 91.7 | Very high | 91 Ų | 91 | 57.8 Ų | 57.8 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | -179.4 | -67.1 | 165.9 | 0 | 0 | 0 | 109.9 | V24 L25 T30 I31 C32 | V24-I28 HydrophobicContact CG1-CD1 4.03Å; V24-I28 WeakPolarHBondContact O-CG1 3.44Å; V24-I28 PolarHBondContact O-N 3.5Å; L25-I28 PolarHBondContact O-N 3.37Å; I28-T30 VanDerWaalsContact C-N 3.34Å; I28-T30 PolarHBondContact O-N 3.37Å; I28-I31 PolarHBondContact O-N 2.91Å; I28-C32 PolarHBondContact O-N 3.48Å; I28-C32 PolarHBondContact O-SG 2.95Å; I28-C32 VanDerWaalsContact O-SG 3.39Å |
| 29 | F | 93.7 | Very high | 92.2 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 177 | -67.1 | -37.9 | 0 | 0 | 0 | 112.7 | L25 W26 T27 I31 C32 F33 L189 | L25-F29 HydrophobicContact CD1-CE2 4.17Å; L25-F29 HydrophobicContact CD1-CZ 4.23Å; L25-F29 HydrophobicContact CD2-CD2 4.13Å; L25-F29 HydrophobicContact CD2-CE2 3.45Å; L25-F29 VanDerWaalsContact CD2-CE2 3.45Å; L25-F29 HydrophobicContact CD2-CZ 4.22Å; L25-F29 HydrophobicContact CG-CD2 4Å; L25-F29 HydrophobicContact CG-CE2 3.51Å; L25-F29 HydrophobicContact CG-CZ 4.06Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 3.27Å; W26-F29 PolarHBondContact O-N 2.98Å; T27-F29 VanDerWaalsContact C-N 3.33Å; T27-F29 PolarHBondContact O-N 3.24Å; F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.43Å; F29-C32 PolarHBondContact O-N 2.89Å; F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.49Å; F29-F33 PolarHBondContact O-N 3.47Å; F29-L189 HydrophobicContact CB-CD2 3.73Å |
| 30 | T | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 112 | W26 T27 I28 F33 A34 S108 I109 F112 Q131 | W26-T30 WeakPolarHBondContact O-CB 3.46Å; W26-T30 PolarHBondContact O-N 2.91Å; W26-T30 PolarHBondContact O-OG1 3.14Å; T27-T30 PolarHBondContact O-N 3.39Å; I28-T30 VanDerWaalsContact C-N 3.34Å; I28-T30 PolarHBondContact O-N 3.37Å; T30-F33 PolarHBondContact O-N 3.35Å; T30-A34 PolarHBondContact O-N 2.95Å; T30-S108 WeakPolarHBondContact CG2-OG 3.36Å; T30-I109 HydrophobicContact CG2-CG1 4.13Å; T30-F112 HydrophobicContact CG2-CE2 4.28Å; T30-Q131 PolarHBondContact OG1-NE2 3.36Å |
| 31 | I | 93.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 175.2 | -67.8 | 166.7 | 0 | 0 | 0 | 110.8 | T27 I28 F29 F33 A34 I35 I109 | T27-I31 HydrophobicContact CG2-CD1 4Å; T27-I31 WeakPolarHBondContact O-CG1 3.34Å; T27-I31 PolarHBondContact O-N 3.44Å; I28-I31 PolarHBondContact O-N 2.91Å; F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.43Å; I31-F33 VanDerWaalsContact C-N 3.27Å; I31-F33 PolarHBondContact O-N 3.28Å; I31-A34 PolarHBondContact O-N 2.91Å; I31-I35 WeakPolarHBondContact O-CG1 3.33Å; I31-I35 PolarHBondContact O-N 3.17Å; I31-I109 HydrophobicContact CG1-CD1 4.14Å; I31-I109 HydrophobicContact CG1-CG1 4.43Å |
| 32 | C | 95.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 49 Ų | 49 | 45% | 0.453 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.4 | -67.4 | 0 | 0 | 0 | 0 | 111.3 | I28 F29 A34 I35 L36 | I28-C32 PolarHBondContact O-N 3.48Å; I28-C32 PolarHBondContact O-SG 2.95Å; I28-C32 VanDerWaalsContact O-SG 3.39Å; F29-C32 PolarHBondContact O-N 2.89Å; C32-A34 PolarHBondContact O-N 3.28Å; C32-I35 WeakPolarHBondContact O-CB 3.32Å; C32-I35 PolarHBondContact O-N 2.92Å; C32-L36 WeakPolarHBondContact O-CG 3.47Å; C32-L36 PolarHBondContact O-N 3.39Å |
| 33 | F | 94.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.3 | -178.2 | -121.2 | 0 | 0 | 0 | 112.5 | F29 T30 I31 I35 L36 V37 V105 S182 D185 L189 | F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.49Å; F29-F33 PolarHBondContact O-N 3.47Å; T30-F33 PolarHBondContact O-N 3.35Å; I31-F33 VanDerWaalsContact C-N 3.27Å; I31-F33 PolarHBondContact O-N 3.28Å; F33-I35 VanDerWaalsContact C-N 3.29Å; F33-I35 PolarHBondContact O-N 3.39Å; F33-L36 WeakPolarHBondContact O-CB 3.38Å; F33-L36 PolarHBondContact O-N 2.86Å; F33-L36 VanDerWaalsContact O-N 3.11Å; F33-V37 HydrophobicContact CD1-CG2 4.37Å; F33-V37 HydrophobicContact CD2-CG2 4.1Å; F33-V37 HydrophobicContact CE1-CG2 3.9Å; F33-V37 HydrophobicContact CE2-CG2 3.62Å; F33-V37 HydrophobicContact CG-CG2 4.45Å; F33-V37 HydrophobicContact CZ-CG2 3.47Å; F33-V37 VanDerWaalsContact CZ-CG2 3.47Å; F33-V37 WeakPolarHBondContact O-CG2 3.48Å; F33-V37 PolarHBondContact O-N 3.41Å; F33-V105 HydrophobicContact CD1-CB 4.47Å; F33-V105 HydrophobicContact CD1-CG1 3.58Å; F33-V105 HydrophobicContact CD1-CG2 3.98Å; F33-V105 HydrophobicContact CE1-CB 4.41Å; F33-V105 HydrophobicContact CE1-CG1 3.98Å; F33-V105 HydrophobicContact CE1-CG2 3.48Å; F33-V105 VanDerWaalsContact CE1-CG2 3.48Å; F33-V105 HydrophobicContact CZ-CG2 4.45Å; F33-S182 WeakPolarHBondContact CE2-O 3.29Å; F33-S182 WeakPolarHBondContact CZ-O 3.17Å; F33-D185 HydrophobicContact CD2-CB 4.11Å; F33-D185 WeakPolarHBondContact CD2-OD2 3.46Å; F33-D185 HydrophobicContact CE2-CB 4Å; F33-D185 WeakPolarHBondContact CG-OD2 3.35Å; F33-L189 HydrophobicContact CB-CD1 3.83Å; F33-L189 HydrophobicContact CD1-CD1 3.95Å; F33-L189 HydrophobicContact CG-CD1 3.91Å |
| 34 | A | 95.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T30 I31 C32 M38 V105 I109 | T30-A34 PolarHBondContact O-N 2.95Å; I31-A34 PolarHBondContact O-N 2.91Å; C32-A34 PolarHBondContact O-N 3.28Å; A34-M38 VanDerWaalsContact O-CB 3.27Å; A34-M38 WeakPolarHBondContact O-CB 3.48Å; A34-M38 PolarHBondContact O-N 2.87Å; A34-V105 HydrophobicContact CB-CG1 3.7Å; A34-I109 HydrophobicContact CB-CD1 3.32Å; A34-I109 HydrophobicContact CB-CG1 4.44Å |
| 35 | I | 95.4 | Very high | 94.7 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 174.3 | -62.7 | 167.6 | 0 | 0 | 0 | 109.8 | I31 C32 F33 V37 M38 V39 | I31-I35 WeakPolarHBondContact O-CG1 3.33Å; I31-I35 PolarHBondContact O-N 3.17Å; C32-I35 WeakPolarHBondContact O-CB 3.32Å; C32-I35 PolarHBondContact O-N 2.92Å; F33-I35 VanDerWaalsContact C-N 3.29Å; F33-I35 PolarHBondContact O-N 3.39Å; I35-V37 PolarHBondContact O-N 2.92Å; I35-M38 PolarHBondContact O-N 3.37Å; I35-V39 HydrophobicContact CG2-CG2 4.34Å; I35-V39 WeakPolarHBondContact O-CB 3.44Å; I35-V39 VanDerWaalsContact O-CG2 3.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 2.89Å |
| 36 | L | 95.6 | Very high | 95 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.9 | -48.6 | 177.8 | -69 | 176.5 | 0 | 0 | 0 | 112.1 | C32 F33 M38 V39 V40 | C32-L36 WeakPolarHBondContact O-CG 3.47Å; C32-L36 PolarHBondContact O-N 3.39Å; F33-L36 WeakPolarHBondContact O-CB 3.38Å; F33-L36 PolarHBondContact O-N 2.86Å; F33-L36 VanDerWaalsContact O-N 3.11Å; L36-M38 VanDerWaalsContact C-N 3.34Å; L36-M38 PolarHBondContact O-N 3.11Å; L36-V39 PolarHBondContact O-N 2.56Å; L36-V40 WeakPolarHBondContact O-CG2 3.07Å; L36-V40 PolarHBondContact O-N 3.44Å |
| 37 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -36.7 | -179.8 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | F33 I35 V40 F41 M102 M138 | F33-V37 HydrophobicContact CD1-CG2 4.37Å; F33-V37 HydrophobicContact CD2-CG2 4.1Å; F33-V37 HydrophobicContact CE1-CG2 3.9Å; F33-V37 HydrophobicContact CE2-CG2 3.62Å; F33-V37 HydrophobicContact CG-CG2 4.45Å; F33-V37 HydrophobicContact CZ-CG2 3.47Å; F33-V37 VanDerWaalsContact CZ-CG2 3.47Å; F33-V37 WeakPolarHBondContact O-CG2 3.48Å; F33-V37 PolarHBondContact O-N 3.41Å; I35-V37 PolarHBondContact O-N 2.92Å; V37-V40 PolarHBondContact O-N 3.47Å; V37-F41 WeakPolarHBondContact O-CB 3.38Å; V37-F41 PolarHBondContact O-N 3Å; V37-M102 HydrophobicContact CG1-CB 3.74Å; V37-M102 HydrophobicContact CG1-CG 4.11Å; V37-M138 HydrophobicContact CG1-CE 3.88Å; V37-M138 HydrophobicContact CG2-CE 4.5Å |
| 38 | M | 96.3 | Very high | 95.3 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 41% | 0.414 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 173.2 | -175.9 | -119.7 | -79.6 | 0 | 0 | 111.7 | A34 I35 L36 F41 I42 M102 | A34-M38 VanDerWaalsContact O-CB 3.27Å; A34-M38 WeakPolarHBondContact O-CB 3.48Å; A34-M38 PolarHBondContact O-N 2.87Å; I35-M38 PolarHBondContact O-N 3.37Å; L36-M38 VanDerWaalsContact C-N 3.34Å; L36-M38 PolarHBondContact O-N 3.11Å; M38-F41 PolarHBondContact O-N 3.26Å; M38-I42 HydrophobicContact CG-CD1 3.76Å; M38-I42 WeakPolarHBondContact O-CG1 3.42Å; M38-I42 PolarHBondContact O-N 3.47Å; M38-I42 HydrophobicContact SD-CD1 3.74Å; M38-M102 HydrophobicContact CB-CG 4.43Å |
| 39 | V | 96.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | I35 L36 F41 I42 Q43 W174 | I35-V39 HydrophobicContact CG2-CG2 4.34Å; I35-V39 WeakPolarHBondContact O-CB 3.44Å; I35-V39 VanDerWaalsContact O-CG2 3.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 2.89Å; L36-V39 PolarHBondContact O-N 2.56Å; V39-F41 VanDerWaalsContact C-N 3.28Å; V39-F41 PolarHBondContact O-N 3.02Å; V39-I42 PolarHBondContact O-N 3.22Å; V39-Q43 HydrophobicContact CG1-CG 3.81Å; V39-Q43 WeakPolarHBondContact O-CB 3.42Å; V39-Q43 WeakPolarHBondContact O-CG 3.42Å; V39-Q43 PolarHBondContact O-N 3.44Å; V39-W174 HydrophobicContact CG1-CH2 3.88Å; V39-W174 HydrophobicContact CG1-CZ3 3.84Å |
| 40 | V | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 176.9 | 164.6 | 0 | 0 | 0 | 0 | 111.9 | L36 V37 W46 M138 L178 A179 | L36-V40 WeakPolarHBondContact O-CG2 3.07Å; L36-V40 PolarHBondContact O-N 3.44Å; V37-V40 PolarHBondContact O-N 3.47Å; V40-W46 HydrophobicContact CG1-CH2 4.48Å; V40-W46 HydrophobicContact CG1-CZ2 3.59Å; V40-W46 PolarHBondContact O-NE1 2.88Å; V40-M138 HydrophobicContact CG1-CE 4.49Å; V40-L178 HydrophobicContact CG2-CB 3.59Å; V40-A179 HydrophobicContact CG1-CB 3.68Å |
| 41 | F | 96.9 | Very high | 95 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | 179.3 | -179.1 | -105.2 | 0 | 0 | 0 | 112.8 | V37 M38 V39 L61 F62 M95 V98 G99 M102 | V37-F41 WeakPolarHBondContact O-CB 3.38Å; V37-F41 PolarHBondContact O-N 3Å; M38-F41 PolarHBondContact O-N 3.26Å; V39-F41 VanDerWaalsContact C-N 3.28Å; V39-F41 PolarHBondContact O-N 3.02Å; F41-L61 HydrophobicContact CD2-CD1 3.97Å; F41-F62 HydrophobicContact CD1-CE1 4.21Å; F41-F62 AromaticContact CE1-CE1 3.86Å; F41-F62 HydrophobicContact CE1-CE1 3.86Å; F41-F62 HydrophobicContact CE1-CZ 4.5Å; F41-F62 HydrophobicContact CE2-CE1 4.39Å; F41-F62 HydrophobicContact CZ-CD1 4.43Å; F41-F62 AromaticContact CZ-CE1 3.96Å; F41-F62 HydrophobicContact CZ-CE1 3.96Å; F41-F62 VanDerWaalsContact O-CE1 3.24Å; F41-F62 WeakPolarHBondContact O-CE1 3.19Å; F41-M95 HydrophobicContact CE2-CG 3.68Å; F41-M95 HydrophobicContact CZ-CG 4.03Å; F41-M95 HydrophobicContact CZ-SD 4.46Å; F41-V98 HydrophobicContact CB-CG1 4.44Å; F41-V98 HydrophobicContact CD2-CB 4.36Å; F41-V98 HydrophobicContact CD2-CG1 4.01Å; F41-G99 VanDerWaalsContact CE2-CA 3.47Å; F41-M102 HydrophobicContact CD1-CE 4.02Å; F41-M102 HydrophobicContact CE1-CE 4.32Å |
| 42 | I | 95.1 | Very high | 94.7 | Very high | 84 Ų | 84 | 46 Ų | 46 | 43% | 0.431 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -82.1 | -35 | -173.4 | -64.7 | 172.5 | 0 | 0 | 0 | 112.2 | M38 V39 | M38-I42 HydrophobicContact CG-CD1 3.76Å; M38-I42 WeakPolarHBondContact O-CG1 3.42Å; M38-I42 PolarHBondContact O-N 3.47Å; M38-I42 HydrophobicContact SD-CD1 3.74Å; V39-I42 PolarHBondContact O-N 3.22Å |
| 43 | Q | 96.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | trans | -78.5 | 128.8 | -167.6 | -70.7 | -73.3 | -27.4 | 0 | 0 | 112.2 | V39 Y45 W174 | V39-Q43 HydrophobicContact CG1-CG 3.81Å; V39-Q43 WeakPolarHBondContact O-CB 3.42Å; V39-Q43 WeakPolarHBondContact O-CG 3.42Å; V39-Q43 PolarHBondContact O-N 3.44Å; Q43-Y45 HydrophobicContact CB-CD2 4.37Å; Q43-Y45 PolarHBondContact O-N 3.17Å; Q43-W174 HydrophobicContact CB-CH2 3.75Å; Q43-W174 HydrophobicContact CB-CZ2 4.12Å; Q43-W174 HydrophobicContact CG-CH2 3.72Å; Q43-W174 HydrophobicContact CG-CZ2 4.29Å | ||
| 44 | P | 94.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | trans | -84.4 | 24.5 | -173.3 | 37.7 | -39.2 | 0 | 0 | 0 | 113.5 | Y58 F59 G60 H63 | P44-Y58 HydrophobicContact CB-CD2 3.74Å; P44-Y58 HydrophobicContact CB-CE2 3.85Å; P44-Y58 HydrophobicContact CG-CD2 3.68Å; P44-Y58 HydrophobicContact CG-CE2 3.41Å; P44-Y58 VanDerWaalsContact CG-CE2 3.41Å; P44-Y58 VanDerWaalsContact O-CD2 3.32Å; P44-Y58 WeakPolarHBondContact O-CD2 3.37Å; P44-F59 CarbonylContact C-O 3.5Å; P44-F59 CarbonylContact O-C 3.12Å; P44-F59 PolarHBondContact O-N 2.96Å; P44-G60 PolarHBondContact O-N 3.11Å; P44-H63 HydrophobicContact CB-CB 4.29Å; P44-H63 WeakPolarHBondContact CB-O 3.32Å | ||
| 45 | Y | 95.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | trans | -107.8 | 53.7 | -174.6 | -60.8 | -72.7 | 0 | 0 | 0 | 111.3 | Q43 Y58 R173 W174 A175 | Q43-Y45 HydrophobicContact CB-CD2 4.37Å; Q43-Y45 PolarHBondContact O-N 3.17Å; Y45-Y58 HydrophobicContact CD1-CD1 4.29Å; Y45-Y58 HydrophobicContact CD1-CD2 4.37Å; Y45-Y58 AromaticContact CD1-CG 3.98Å; Y45-Y58 HydrophobicContact CD1-CG 3.98Å; Y45-Y58 AromaticContact CE1-CD1 3.72Å; Y45-Y58 HydrophobicContact CE1-CD1 3.72Å; Y45-Y58 HydrophobicContact CE1-CD2 4.2Å; Y45-Y58 AromaticContact CE1-CE1 4Å; Y45-Y58 HydrophobicContact CE1-CE1 4Å; Y45-Y58 HydrophobicContact CE1-CE2 4.45Å; Y45-Y58 AromaticContact CE1-CG 3.81Å; Y45-Y58 HydrophobicContact CE1-CG 3.81Å; Y45-R173 CarbonylContact O-C 3.46Å; Y45-R173 WeakPolarHBondContact O-CB 3.05Å; Y45-W174 AromaticContact CD2-CE2 3.98Å; Y45-W174 AromaticContact CD2-CZ2 3.6Å; Y45-W174 HydrophobicContact CD2-CZ2 3.6Å; Y45-W174 AromaticContact CD2-NE1 3.9Å; Y45-W174 HydrophobicContact CE2-CZ2 4.45Å; Y45-W174 HydrophobicContact CG-CZ2 4.18Å; Y45-W174 AromaticContact CG-NE1 3.67Å; Y45-A175 WeakPolarHBondContact O-CB 3.44Å; Y45-A175 PolarHBondContact O-N 3.4Å | ||
| 46 | W | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -87.5 | -49.4 | 174.8 | -77.8 | 52.7 | 0 | 0 | 0 | 110.9 | V40 F59 L61 V98 Y145 R173 A175 Y176 A179 | V40-W46 HydrophobicContact CG1-CH2 4.48Å; V40-W46 HydrophobicContact CG1-CZ2 3.59Å; V40-W46 PolarHBondContact O-NE1 2.88Å; W46-F59 WeakPolarHBondContact CB-O 3.12Å; W46-F59 PolarHBondContact N-O 3.23Å; W46-L61 HydrophobicContact CD2-CD2 4.4Å; W46-L61 HydrophobicContact CD2-CG 4.18Å; W46-L61 HydrophobicContact CE3-CD2 4.22Å; W46-L61 HydrophobicContact CE3-CG 4.49Å; W46-L61 HydrophobicContact CH2-CD1 4.16Å; W46-L61 HydrophobicContact CH2-CD2 3.82Å; W46-L61 HydrophobicContact CH2-CG 4.18Å; W46-L61 HydrophobicContact CZ2-CD1 3.53Å; W46-L61 HydrophobicContact CZ2-CD2 3.94Å; W46-L61 HydrophobicContact CZ2-CG 3.75Å; W46-L61 HydrophobicContact CZ3-CD2 3.93Å; W46-L61 HydrophobicContact CZ3-CG 4.5Å; W46-V98 HydrophobicContact CH2-CG2 3.94Å; W46-V98 HydrophobicContact CZ2-CG1 4.43Å; W46-V98 HydrophobicContact CZ2-CG2 4.48Å; W46-Y145 HydrophobicContact CB-CE1 3.85Å; W46-Y145 HydrophobicContact CB-CE2 4.44Å; W46-Y145 WeakPolarHBondContact CB-OH 3.39Å; W46-Y145 HydrophobicContact CD2-CE1 4.47Å; W46-Y145 HydrophobicContact CD2-CE2 4.28Å; W46-Y145 AromaticContact CE3-CD1 3.66Å; W46-Y145 HydrophobicContact CE3-CD1 3.66Å; W46-Y145 AromaticContact CE3-CD2 3.66Å; W46-Y145 HydrophobicContact CE3-CD2 3.66Å; W46-Y145 AromaticContact CE3-CE1 3.79Å; W46-Y145 HydrophobicContact CE3-CE1 3.79Å; W46-Y145 AromaticContact CE3-CE2 3.79Å; W46-Y145 HydrophobicContact CE3-CE2 3.79Å; W46-Y145 AromaticContact CE3-CG 3.59Å; W46-Y145 HydrophobicContact CE3-CG 3.59Å; W46-Y145 AromaticContact CE3-CZ 3.85Å; W46-Y145 HydrophobicContact CZ3-CD1 4.25Å; W46-Y145 AromaticContact CZ3-CD2 4Å; W46-Y145 HydrophobicContact CZ3-CD2 4Å; W46-Y145 AromaticContact CZ3-CG 3.84Å; W46-Y145 HydrophobicContact CZ3-CG 3.84Å; W46-R173 PolarHBondContact O-N 2.91Å; W46-A175 HydrophobicContact CG-CB 4.42Å; W46-Y176 HydrophobicContact CD2-CD2 4.18Å; W46-Y176 AromaticContact CE3-CD2 3.32Å; W46-Y176 HydrophobicContact CE3-CD2 3.32Å; W46-Y176 AromaticContact CE3-CE2 3.97Å; W46-Y176 HydrophobicContact CE3-CE2 3.97Å; W46-Y176 HydrophobicContact CE3-CG 4.29Å; W46-Y176 HydrophobicContact CH2-CD2 4.36Å; W46-Y176 AromaticContact CZ3-CD2 3.44Å; W46-Y176 HydrophobicContact CZ3-CD2 3.44Å; W46-Y176 VanDerWaalsContact CZ3-CD2 3.44Å; W46-Y176 AromaticContact CZ3-CE2 3.78Å; W46-Y176 HydrophobicContact CZ3-CE2 3.78Å; W46-A179 HydrophobicContact CH2-CB 4Å; W46-A179 HydrophobicContact CZ2-CB 4.19Å |
| 47 | I | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 160.4 | 168.8 | 60 | 171 | 0 | 0 | 0 | 109.1 | Y58 F59 Y145 W149 V154 L167 T171 | I47-Y58 CarbonylContact O-C 3.54Å; I47-Y58 WeakPolarHBondContact O-CA 2.92Å; I47-F59 HydrophobicContact CD1-CB 4.07Å; I47-F59 HydrophobicContact CD1-CD2 3.96Å; I47-F59 HydrophobicContact CD1-CG 4.22Å; I47-F59 HydrophobicContact CG1-CB 3.65Å; I47-F59 HydrophobicContact CG1-CD2 3.96Å; I47-F59 HydrophobicContact CG1-CG 4.19Å; I47-F59 PolarHBondContact N-O 2.86Å; I47-F59 VanDerWaalsContact N-O 3.16Å; I47-F59 PolarHBondContact O-N 2.96Å; I47-Y145 HydrophobicContact CG1-CE1 4.49Å; I47-Y145 HydrophobicContact CG2-CE1 4.09Å; I47-W149 HydrophobicContact CG2-CZ2 4.26Å; I47-V154 HydrophobicContact CD1-CG1 4.14Å; I47-V154 HydrophobicContact CD1-CG2 4.36Å; I47-L167 HydrophobicContact CD1-CD1 4.38Å; I47-L167 HydrophobicContact CG2-CD1 4.06Å; I47-L167 HydrophobicContact CG2-CD2 4.08Å; I47-T171 WeakPolarHBondContact CA-O 3.25Å |
| 48 | G | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -160.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G57 M157 C170 T171 R173 | G48-G57 CarbonylContact C-O 3.59Å; G48-G57 VanDerWaalsContact CA-O 3.25Å; G48-G57 WeakPolarHBondContact CA-O 3.39Å; G48-M157 VanDerWaalsContact C-CE 3.48Å; G48-C170 WeakPolarHBondContact O-CA 3.27Å; G48-C170 VanDerWaalsContact O-CB 3.23Å; G48-C170 WeakPolarHBondContact O-CB 3.25Å; G48-T171 PolarHBondContact N-O 3.43Å; G48-T171 PolarHBondContact O-N 2.99Å; G48-R173 VanDerWaalsContact CA-NE 3.33Å |
| 49 | D | 92.7 | Very high | 92.9 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | trans | -63 | 156.7 | -173.9 | 62.4 | -64.4 | 0 | 0 | 0 | 111.8 | T53 G57 M157 T171 R173 | D49-T53 WeakPolarHBondContact CA-OG1 3.37Å; D49-T53 VanDerWaalsContact CB-OG1 3.26Å; D49-T53 WeakPolarHBondContact CB-OG1 2.88Å; D49-G57 PolarHBondContact N-O 2.77Å; D49-G57 PolarHBondContact OD1-N 3.34Å; D49-M157 VanDerWaalsContact CA-CE 3.44Å; D49-M157 HydrophobicContact CB-CE 3.62Å; D49-T171 PolarHBondContact O-OG1 3.06Å; D49-R173 VanDerWaalsContact CG-NH2 3.31Å; D49-R173 PolarHBondContact O-NH2 3.12Å; D49-R173 IonicContact OD1-CZ 3.77Å; D49-R173 IonicContact OD1-NH2 3.95Å; D49-R173 PolarHBondContact OD1-NH2 3.14Å; D49-R173 IonicContact OD2-NH2 2.63Å | ||
| 50 | S | 91.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 16% | 0.161 | 22% | 0.22 | C | C | . | . | trans | -134.8 | 178.8 | 173.2 | 87.7 | 0 | 0 | 0 | 0 | 109.6 | N52 T53 N169 | S50-N52 PolarHBondContact O-N 3.21Å; S50-N52 PolarHBondContact OG-N 3.19Å; S50-T53 PolarHBondContact N-OG1 3.49Å; S50-T53 PolarHBondContact O-N 3.05Å; S50-T53 PolarHBondContact O-OG1 2.93Å; S50-N169 VanDerWaalsContact CB-O 3.31Å; S50-N169 WeakPolarHBondContact CB-O 3.36Å; S50-N169 PolarHBondContact OG-O 3.11Å | ||
| 51 | V | 88.1 | Confident | 92.8 | Very high | 142 Ų | 142 | 39.5 Ų | 39.5 | 86% | 0.861 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.1 | 173.8 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 52 | N | 87.6 | Confident | 92.7 | Very high | 112 Ų | 112 | 39.3 Ų | 39.3 | 60% | 0.599 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -2.7 | -176.8 | -61.2 | -42.8 | 0 | 0 | 0 | 113.5 | S50 N169 | S50-N52 PolarHBondContact O-N 3.21Å; S50-N52 PolarHBondContact OG-N 3.19Å; N52-N169 HydrophobicContact CB-CB 4.12Å; N52-N169 PolarHBondContact O-ND2 3.04Å; N52-N169 VanDerWaalsContact O-ND2 3.12Å |
| 53 | T | 87.5 | Confident | 92.6 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | trans | -88.8 | 140.5 | 179.7 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | D49 S50 Q55 N169 | D49-T53 WeakPolarHBondContact CA-OG1 3.37Å; D49-T53 VanDerWaalsContact CB-OG1 3.26Å; D49-T53 WeakPolarHBondContact CB-OG1 2.88Å; S50-T53 PolarHBondContact N-OG1 3.49Å; S50-T53 PolarHBondContact O-N 3.05Å; S50-T53 PolarHBondContact O-OG1 2.93Å; T53-Q55 VanDerWaalsContact C-N 3.25Å; T53-Q55 PolarHBondContact O-N 3.4Å; T53-N169 HydrophobicContact CG2-CB 3.86Å; T53-N169 WeakPolarHBondContact CG2-O 3.35Å | ||
| 54 | P | 83.9 | Confident | 92.5 | Very high | 104 Ų | 104 | 35.8 Ų | 35.8 | 68% | 0.675 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -72.9 | -16.9 | -177.7 | 30.1 | -36 | 0 | 0 | 0 | 113.7 | ||
| 55 | Q | 86.8 | Confident | 92.5 | Very high | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -143.1 | 146.1 | -179.1 | 65.2 | -159.1 | -34.6 | 0 | 0 | 110.1 | T53 I66 G67 R156 M157 | T53-Q55 VanDerWaalsContact C-N 3.25Å; T53-Q55 PolarHBondContact O-N 3.4Å; Q55-I66 HydrophobicContact CG-CG2 4.24Å; Q55-G67 PolarHBondContact OE1-O 3.28Å; Q55-R156 PolarHBondContact NE2-O 2.97Å; Q55-M157 HydrophobicContact CG-CG 4.09Å |
| 56 | A | 90.1 | Very high | 92.4 | Very high | 51 Ų | 51 | 32.9 Ų | 32.9 | 42% | 0.421 | 19% | 0.189 | S | C | . | . | trans | -73.7 | 152.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | G67 | A56-G67 WeakPolarHBondContact O-CA 3.28Å; A56-G67 PolarHBondContact O-N 3.41Å | ||
| 57 | G | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 170.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G48 D49 C65 M157 | G48-G57 CarbonylContact C-O 3.59Å; G48-G57 VanDerWaalsContact CA-O 3.25Å; G48-G57 WeakPolarHBondContact CA-O 3.39Å; D49-G57 PolarHBondContact N-O 2.77Å; D49-G57 PolarHBondContact OD1-N 3.34Å; G57-C65 CarbonylContact C-O 3.55Å; G57-C65 WeakPolarHBondContact CA-O 3.39Å; G57-M157 VanDerWaalsContact CA-CE 3.5Å; G57-M157 WeakPolarHBondContact O-CE 3.49Å |
| 58 | Y | 95.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 149.8 | 179.7 | 50 | -99.1 | 0 | 0 | 0 | 110.4 | P44 Y45 I47 Y64 C65 | P44-Y58 HydrophobicContact CB-CD2 3.74Å; P44-Y58 HydrophobicContact CB-CE2 3.85Å; P44-Y58 HydrophobicContact CG-CD2 3.68Å; P44-Y58 HydrophobicContact CG-CE2 3.41Å; P44-Y58 VanDerWaalsContact CG-CE2 3.41Å; P44-Y58 VanDerWaalsContact O-CD2 3.32Å; P44-Y58 WeakPolarHBondContact O-CD2 3.37Å; Y45-Y58 HydrophobicContact CD1-CD1 4.29Å; Y45-Y58 HydrophobicContact CD1-CD2 4.37Å; Y45-Y58 AromaticContact CD1-CG 3.98Å; Y45-Y58 HydrophobicContact CD1-CG 3.98Å; Y45-Y58 AromaticContact CE1-CD1 3.72Å; Y45-Y58 HydrophobicContact CE1-CD1 3.72Å; Y45-Y58 HydrophobicContact CE1-CD2 4.2Å; Y45-Y58 AromaticContact CE1-CE1 4Å; Y45-Y58 HydrophobicContact CE1-CE1 4Å; Y45-Y58 HydrophobicContact CE1-CE2 4.45Å; Y45-Y58 AromaticContact CE1-CG 3.81Å; Y45-Y58 HydrophobicContact CE1-CG 3.81Å; I47-Y58 CarbonylContact O-C 3.54Å; I47-Y58 WeakPolarHBondContact O-CA 2.92Å; Y58-Y64 CarbonylContact O-C 3.53Å; Y58-Y64 VanDerWaalsContact O-CA 3.26Å; Y58-Y64 WeakPolarHBondContact O-CA 3.41Å; Y58-Y64 WeakPolarHBondContact O-CB 3.02Å; Y58-C65 HydrophobicContact CD2-CB 4.36Å; Y58-C65 HydrophobicContact CE1-CB 4.14Å; Y58-C65 HydrophobicContact CE2-CB 3.78Å; Y58-C65 WeakPolarHBondContact CE2-SG 3.29Å; Y58-C65 PolarHBondContact N-O 2.88Å; Y58-C65 PolarHBondContact O-N 3.29Å; Y58-C65 PolarHBondContact OH-SG 3.4Å |
| 59 | F | 95.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.4 | 176.8 | -58.1 | -101.4 | 0 | 0 | 0 | 110 | P44 W46 I47 Y64 I66 Y145 E153 V154 M157 | P44-F59 CarbonylContact C-O 3.5Å; P44-F59 CarbonylContact O-C 3.12Å; P44-F59 PolarHBondContact O-N 2.96Å; W46-F59 WeakPolarHBondContact CB-O 3.12Å; W46-F59 PolarHBondContact N-O 3.23Å; I47-F59 HydrophobicContact CD1-CB 4.07Å; I47-F59 HydrophobicContact CD1-CD2 3.96Å; I47-F59 HydrophobicContact CD1-CG 4.22Å; I47-F59 HydrophobicContact CG1-CB 3.65Å; I47-F59 HydrophobicContact CG1-CD2 3.96Å; I47-F59 HydrophobicContact CG1-CG 4.19Å; I47-F59 PolarHBondContact N-O 2.86Å; I47-F59 VanDerWaalsContact N-O 3.16Å; I47-F59 PolarHBondContact O-N 2.96Å; F59-Y64 HydrophobicContact CD1-CD2 4.02Å; F59-Y64 AromaticContact CD1-CG 3.75Å; F59-Y64 HydrophobicContact CD1-CG 3.75Å; F59-Y64 AromaticContact CE1-CD2 3.72Å; F59-Y64 HydrophobicContact CE1-CD2 3.72Å; F59-Y64 HydrophobicContact CE1-CE2 4.48Å; F59-Y64 AromaticContact CE1-CG 3.94Å; F59-Y64 HydrophobicContact CE1-CG 3.94Å; F59-I66 HydrophobicContact CE1-CD1 4.13Å; F59-I66 HydrophobicContact CE1-CG1 4.44Å; F59-I66 HydrophobicContact CZ-CD1 3.8Å; F59-I66 HydrophobicContact CZ-CG1 4.01Å; F59-Y145 PolarHBondContact O-OH 3.5Å; F59-E153 HydrophobicContact CE1-CB 4.03Å; F59-E153 HydrophobicContact CZ-CB 4.41Å; F59-V154 HydrophobicContact CD1-CG2 4.05Å; F59-V154 HydrophobicContact CD2-CG2 4.43Å; F59-V154 HydrophobicContact CE1-CG2 3.84Å; F59-V154 HydrophobicContact CE2-CG2 4.18Å; F59-V154 HydrophobicContact CG-CG2 4.37Å; F59-V154 HydrophobicContact CZ-CB 4.45Å; F59-V154 HydrophobicContact CZ-CG2 3.91Å; F59-M157 HydrophobicContact CD2-SD 4.19Å; F59-M157 HydrophobicContact CE2-CB 4.21Å; F59-M157 HydrophobicContact CE2-CE 4.42Å; F59-M157 HydrophobicContact CE2-CG 4.46Å; F59-M157 HydrophobicContact CE2-SD 3.37Å; F59-M157 WeakPolarHBondContact CE2-SD 3.28Å; F59-M157 HydrophobicContact CZ-CB 4.38Å; F59-M157 HydrophobicContact CZ-SD 4.09Å |
| 60 | G | 95.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -103.2 | -154.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P44 H63 Y145 | P44-G60 PolarHBondContact O-N 3.11Å; G60-H63 WeakPolarHBondContact CA-O 3.44Å; G60-H63 PolarHBondContact N-O 2.78Å; G60-Y145 WeakPolarHBondContact O-CE2 2.96Å; G60-Y145 PolarHBondContact O-OH 2.86Å | ||
| 61 | L | 94.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -76.4 | -44.8 | 175.2 | -70.6 | 161.5 | 0 | 0 | 0 | 112.6 | F41 W46 A94 M95 V98 Y145 | F41-L61 HydrophobicContact CD2-CD1 3.97Å; W46-L61 HydrophobicContact CD2-CD2 4.4Å; W46-L61 HydrophobicContact CD2-CG 4.18Å; W46-L61 HydrophobicContact CE3-CD2 4.22Å; W46-L61 HydrophobicContact CE3-CG 4.49Å; W46-L61 HydrophobicContact CH2-CD1 4.16Å; W46-L61 HydrophobicContact CH2-CD2 3.82Å; W46-L61 HydrophobicContact CH2-CG 4.18Å; W46-L61 HydrophobicContact CZ2-CD1 3.53Å; W46-L61 HydrophobicContact CZ2-CD2 3.94Å; W46-L61 HydrophobicContact CZ2-CG 3.75Å; W46-L61 HydrophobicContact CZ3-CD2 3.93Å; W46-L61 HydrophobicContact CZ3-CG 4.5Å; L61-A94 HydrophobicContact CD2-CB 4.01Å; L61-M95 HydrophobicContact CB-CB 4.21Å; L61-M95 HydrophobicContact CB-CG 4.33Å; L61-V98 HydrophobicContact CD1-CB 3.94Å; L61-V98 HydrophobicContact CD1-CG1 3.8Å; L61-V98 HydrophobicContact CD1-CG2 4.26Å; L61-V98 HydrophobicContact CD2-CG2 4.19Å; L61-Y145 HydrophobicContact CD2-CD2 3.88Å; L61-Y145 HydrophobicContact CD2-CE2 4.18Å |
| 62 | F | 94.1 | Very high | 89.2 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -121.8 | -27.6 | 178.8 | 48.4 | -90.2 | 0 | 0 | 0 | 114 | F41 G78 A80 I86 M95 | F41-F62 HydrophobicContact CD1-CE1 4.21Å; F41-F62 AromaticContact CE1-CE1 3.86Å; F41-F62 HydrophobicContact CE1-CE1 3.86Å; F41-F62 HydrophobicContact CE1-CZ 4.5Å; F41-F62 HydrophobicContact CE2-CE1 4.39Å; F41-F62 HydrophobicContact CZ-CD1 4.43Å; F41-F62 AromaticContact CZ-CE1 3.96Å; F41-F62 HydrophobicContact CZ-CE1 3.96Å; F41-F62 VanDerWaalsContact O-CE1 3.24Å; F41-F62 WeakPolarHBondContact O-CE1 3.19Å; F62-G78 CarbonylContact O-C 3.58Å; F62-G78 WeakPolarHBondContact O-CA 3.25Å; F62-A80 HydrophobicContact CD1-CB 4.29Å; F62-A80 HydrophobicContact CD2-CB 4.18Å; F62-A80 HydrophobicContact CE1-CB 4.47Å; F62-A80 HydrophobicContact CE2-CB 4.37Å; F62-A80 HydrophobicContact CG-CB 4.14Å; F62-I86 HydrophobicContact CB-CD1 4.2Å; F62-I86 HydrophobicContact CB-CG1 4.46Å; F62-M95 HydrophobicContact CB-CE 3.44Å; F62-M95 VanDerWaalsContact CB-CE 3.44Å; F62-M95 HydrophobicContact CB-SD 3.97Å; F62-M95 HydrophobicContact CD1-CE 4.38Å; F62-M95 HydrophobicContact CD1-CG 3.98Å; F62-M95 HydrophobicContact CD1-SD 3.86Å; F62-M95 HydrophobicContact CG-CE 4.35Å; F62-M95 HydrophobicContact CG-SD 4.27Å |
| 63 | H | 94.1 | Very high | 89.2 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 27% | 0.269 | 28% | 0.276 | S | S | . | . | trans | -110 | 136.8 | -175.2 | -171.9 | -86.6 | 0 | 0 | 0 | 110.4 | P44 G60 C65 G78 | P44-H63 HydrophobicContact CB-CB 4.29Å; P44-H63 WeakPolarHBondContact CB-O 3.32Å; G60-H63 WeakPolarHBondContact CA-O 3.44Å; G60-H63 PolarHBondContact N-O 2.78Å; H63-C65 PolarHBondContact CE1-SG 2.85Å; H63-G78 PolarHBondContact CD2-O 3.49Å | ||
| 64 | Y | 94.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 152.3 | 177.3 | 66 | -83 | 0 | 0 | 0 | 110.7 | Y58 F59 I66 C76 K77 S85 P87 E153 | Y58-Y64 CarbonylContact O-C 3.53Å; Y58-Y64 VanDerWaalsContact O-CA 3.26Å; Y58-Y64 WeakPolarHBondContact O-CA 3.41Å; Y58-Y64 WeakPolarHBondContact O-CB 3.02Å; F59-Y64 HydrophobicContact CD1-CD2 4.02Å; F59-Y64 AromaticContact CD1-CG 3.75Å; F59-Y64 HydrophobicContact CD1-CG 3.75Å; F59-Y64 AromaticContact CE1-CD2 3.72Å; F59-Y64 HydrophobicContact CE1-CD2 3.72Å; F59-Y64 HydrophobicContact CE1-CE2 4.48Å; F59-Y64 AromaticContact CE1-CG 3.94Å; F59-Y64 HydrophobicContact CE1-CG 3.94Å; Y64-I66 HydrophobicContact CD2-CD1 3.99Å; Y64-I66 HydrophobicContact CD2-CG1 4.05Å; Y64-I66 HydrophobicContact CE2-CD1 4Å; Y64-I66 HydrophobicContact CE2-CG1 4.44Å; Y64-C76 WeakPolarHBondContact O-CA 3.48Å; Y64-K77 WeakPolarHBondContact CD1-O 3.37Å; Y64-K77 HydrophobicContact CE1-CB 3.87Å; Y64-K77 HydrophobicContact CE2-CB 4.04Å; Y64-K77 PolarHBondContact N-O 2.96Å; Y64-K77 PolarHBondContact O-N 3.34Å; Y64-S85 WeakPolarHBondContact CE1-O 3.32Å; Y64-P87 HydrophobicContact CE1-CG 4.39Å; Y64-E153 HydrophobicContact CE2-CG 4.34Å |
| 65 | C | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.5 | 175.6 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | G57 Y58 H63 L74 I75 C76 | G57-C65 CarbonylContact C-O 3.55Å; G57-C65 WeakPolarHBondContact CA-O 3.39Å; Y58-C65 HydrophobicContact CD2-CB 4.36Å; Y58-C65 HydrophobicContact CE1-CB 4.14Å; Y58-C65 HydrophobicContact CE2-CB 3.78Å; Y58-C65 WeakPolarHBondContact CE2-SG 3.29Å; Y58-C65 PolarHBondContact N-O 2.88Å; Y58-C65 PolarHBondContact O-N 3.29Å; Y58-C65 PolarHBondContact OH-SG 3.4Å; H63-C65 PolarHBondContact CE1-SG 2.85Å; C65-L74 HydrophobicContact CB-CB 4.48Å; C65-L74 HydrophobicContact CB-CD2 4.41Å; C65-I75 WeakPolarHBondContact CA-O 3.41Å; C65-C76 HydrophobicContact CB-CB 4.11Å; C65-C76 WeakPolarHBondContact CB-SG 3.5Å; C65-C76 VanDerWaalsContact SG-CA 3.56Å; C65-C76 WeakPolarHBondContact SG-CB 3.49Å; C65-C76 CovalentContact SG-SG 2.04Å; C65-C76 PolarHBondContact SG-SG 2.94Å |
| 66 | I | 92.8 | Very high | 90 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.2 | 178.5 | -57.2 | 172.4 | 0 | 0 | 0 | 107.8 | Q55 F59 Y64 I75 E153 M157 | Q55-I66 HydrophobicContact CG-CG2 4.24Å; F59-I66 HydrophobicContact CE1-CD1 4.13Å; F59-I66 HydrophobicContact CE1-CG1 4.44Å; F59-I66 HydrophobicContact CZ-CD1 3.8Å; F59-I66 HydrophobicContact CZ-CG1 4.01Å; Y64-I66 HydrophobicContact CD2-CD1 3.99Å; Y64-I66 HydrophobicContact CD2-CG1 4.05Å; Y64-I66 HydrophobicContact CE2-CD1 4Å; Y64-I66 HydrophobicContact CE2-CG1 4.44Å; I66-I75 PolarHBondContact N-O 3.37Å; I66-I75 VanDerWaalsContact N-O 3.07Å; I66-I75 PolarHBondContact O-N 3.25Å; I66-E153 HydrophobicContact CD1-CB 4.2Å; I66-M157 HydrophobicContact CG1-SD 4.47Å |
| 67 | G | 90.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 135.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q55 A56 A69 E73 | Q55-G67 PolarHBondContact OE1-O 3.28Å; A56-G67 WeakPolarHBondContact O-CA 3.28Å; A56-G67 PolarHBondContact O-N 3.41Å; G67-A69 PolarHBondContact O-N 3.17Å; G67-E73 CarbonylContact C-O 3.54Å; G67-E73 WeakPolarHBondContact CA-O 3.43Å |
| 68 | N | 85.6 | Confident | 89.8 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | trans | -72 | 126.6 | 171.2 | -174.9 | 11.1 | 0 | 0 | 0 | 109.9 | L70 T71 G72 E73 | N68-L70 PolarHBondContact O-N 3.43Å; N68-L70 VanDerWaalsContact O-N 3.12Å; N68-L70 PolarHBondContact OD1-N 3.49Å; N68-T71 WeakPolarHBondContact CB-OG1 3.44Å; N68-T71 PolarHBondContact ND2-OG1 3.49Å; N68-G72 WeakPolarHBondContact O-CA 3.46Å; N68-G72 PolarHBondContact O-N 3.05Å; N68-E73 PolarHBondContact N-O 3.11Å | ||
| 69 | A | 76.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 69% | 0.686 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | G67 | G67-A69 PolarHBondContact O-N 3.17Š|
| 70 | L | 80.2 | Confident | 89 | Confident | 163 Ų | 163 | 56 Ų | 56 | 85% | 0.853 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -42.5 | -177.1 | -72.9 | 154.4 | 0 | 0 | 0 | 113.4 | N68 | N68-L70 PolarHBondContact O-N 3.43Å; N68-L70 VanDerWaalsContact O-N 3.12Å; N68-L70 PolarHBondContact OD1-N 3.49Å |
| 71 | T | 80.8 | Confident | 88.5 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -13.8 | -173.5 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | N68 E73 | N68-T71 WeakPolarHBondContact CB-OG1 3.44Å; N68-T71 PolarHBondContact ND2-OG1 3.49Å; T71-E73 PolarHBondContact O-N 3.33Å |
| 72 | G | 78.6 | Confident | 88.2 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 63% | 0.629 | 39% | 0.39 | S | S | * | . | trans | 70 | 1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N68 | N68-G72 WeakPolarHBondContact O-CA 3.46Å; N68-G72 PolarHBondContact O-N 3.05Å | ||
| 73 | E | 89.2 | Confident | 87.7 | Confident | 136 Ų | 136 | 70 Ų | 70 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | trans | -76.6 | 136.2 | -179.8 | -169.4 | 178.4 | 179.7 | 0 | 0 | 111.2 | G67 N68 T71 | G67-E73 CarbonylContact C-O 3.54Å; G67-E73 WeakPolarHBondContact CA-O 3.43Å; N68-E73 PolarHBondContact N-O 3.11Å; T71-E73 PolarHBondContact O-N 3.33Å | ||
| 74 | L | 90.3 | Very high | 87.3 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 43% | 0.429 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.5 | 178.6 | -71.7 | 162.2 | 0 | 0 | 0 | 110.3 | C65 | C65-L74 HydrophobicContact CB-CB 4.48Å; C65-L74 HydrophobicContact CB-CD2 4.41Å |
| 75 | I | 91.4 | Very high | 87 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 109.7 | 173.9 | -57.4 | 174.3 | 0 | 0 | 0 | 108 | C65 I66 K77 | C65-I75 WeakPolarHBondContact CA-O 3.41Å; I66-I75 PolarHBondContact N-O 3.37Å; I66-I75 VanDerWaalsContact N-O 3.07Å; I66-I75 PolarHBondContact O-N 3.25Å; I75-K77 HydrophobicContact CG2-CG 4.47Å |
| 76 | C | 92.6 | Very high | 86.8 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.4 | 179.4 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | Y64 C65 | Y64-C76 WeakPolarHBondContact O-CA 3.48Å; C65-C76 HydrophobicContact CB-CB 4.11Å; C65-C76 WeakPolarHBondContact CB-SG 3.5Å; C65-C76 VanDerWaalsContact SG-CA 3.56Å; C65-C76 WeakPolarHBondContact SG-CB 3.49Å; C65-C76 CovalentContact SG-SG 2.04Å; C65-C76 PolarHBondContact SG-SG 2.94Å |
| 77 | K | 92 | Very high | 86.6 | Confident | 116 Ų | 116 | 71.5 Ų | 71.5 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.7 | 178.5 | -67.3 | -175.6 | -179.2 | -177.5 | 0 | 109.6 | Y64 I75 | Y64-K77 WeakPolarHBondContact CD1-O 3.37Å; Y64-K77 HydrophobicContact CE1-CB 3.87Å; Y64-K77 HydrophobicContact CE2-CB 4.04Å; Y64-K77 PolarHBondContact N-O 2.96Å; Y64-K77 PolarHBondContact O-N 3.34Å; I75-K77 HydrophobicContact CG2-CG 4.47Å |
| 78 | G | 88.1 | Confident | 86.6 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 19% | 0.186 | 44% | 0.436 | C | S | . | . | trans | 105.9 | 135.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F62 H63 S85 | F62-G78 CarbonylContact O-C 3.58Å; F62-G78 WeakPolarHBondContact O-CA 3.25Å; H63-G78 PolarHBondContact CD2-O 3.49Å; G78-S85 VanDerWaalsContact CA-OG 3.27Å; G78-S85 WeakPolarHBondContact CA-OG 3.43Å | ||
| 79 | S | 89 | Confident | 87 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 37% | 0.371 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -145.1 | 148.1 | 170.8 | 178 | 0 | 0 | 0 | 0 | 109.5 | L81 D82 S85 | S79-L81 PolarHBondContact O-N 3.05Å; S79-L81 PolarHBondContact OG-N 3.18Å; S79-D82 PolarHBondContact O-N 3.02Å; S79-S85 PolarHBondContact N-OG 3.49Å |
| 80 | A | 83.9 | Confident | 87.8 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 26% | 0.264 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | F62 M95 | F62-A80 HydrophobicContact CD1-CB 4.29Å; F62-A80 HydrophobicContact CD2-CB 4.18Å; F62-A80 HydrophobicContact CE1-CB 4.47Å; F62-A80 HydrophobicContact CE2-CB 4.37Å; F62-A80 HydrophobicContact CG-CB 4.14Å; A80-M95 HydrophobicContact CB-SD 4.19Å |
| 81 | L | 85.3 | Confident | 88.5 | Confident | 159 Ų | 159 | 61.1 Ų | 61.1 | 83% | 0.832 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -15.3 | 179.1 | -61.3 | 177.1 | 0 | 0 | 0 | 113.5 | S79 | S79-L81 PolarHBondContact O-N 3.05Å; S79-L81 PolarHBondContact OG-N 3.18Å |
| 82 | D | 88.9 | Confident | 89.2 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 48% | 0.476 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -109.6 | 81.1 | 178.2 | -178.5 | 12.3 | 0 | 0 | 0 | 110.3 | S79 G84 S85 | S79-D82 PolarHBondContact O-N 3.02Å; D82-G84 PolarHBondContact O-N 2.79Å; D82-G84 VanDerWaalsContact O-N 3.1Å; D82-G84 PolarHBondContact OD1-N 3.05Å; D82-S85 PolarHBondContact O-N 3.24Å; D82-S85 VanDerWaalsContact O-N 3.11Å; D82-S85 PolarHBondContact O-OG 3.39Å; D82-S85 WeakPolarHBondContact OD2-CB 3.24Å |
| 83 | F | 84.6 | Confident | 90 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -62.9 | -16.5 | -179.4 | -60.6 | -80.1 | 0 | 0 | 0 | 113.8 | S85 I86 K92 M95 F96 | F83-S85 VanDerWaalsContact C-N 3.31Å; F83-I86 HydrophobicContact CD1-CD1 4.3Å; F83-K92 WeakPolarHBondContact O-CE 3.28Å; F83-K92 PolarHBondContact O-NZ 2.99Å; F83-M95 HydrophobicContact CE1-CE 4.47Å; F83-F96 HydrophobicContact CD1-CE2 4.32Å; F83-F96 HydrophobicContact CD1-CZ 4.18Å; F83-F96 HydrophobicContact CE1-CE1 4.1Å; F83-F96 AromaticContact CE1-CE2 3.8Å; F83-F96 HydrophobicContact CE1-CE2 3.8Å; F83-F96 AromaticContact CE1-CZ 3.33Å; F83-F96 HydrophobicContact CE1-CZ 3.33Å; F83-F96 HydrophobicContact CZ-CE1 4.15Å; F83-F96 AromaticContact CZ-CZ 3.63Å; F83-F96 HydrophobicContact CZ-CZ 3.63Å |
| 84 | G | 84.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 68% | 0.68 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -70.7 | -29.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D82 I86 | D82-G84 PolarHBondContact O-N 2.79Å; D82-G84 VanDerWaalsContact O-N 3.1Å; D82-G84 PolarHBondContact OD1-N 3.05Å; G84-I86 VanDerWaalsContact C-N 3.33Å; G84-I86 PolarHBondContact O-N 3.01Å |
| 85 | S | 87.6 | Confident | 90.6 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -78.7 | -11 | -176.2 | 67.1 | 0 | 0 | 0 | 0 | 115.2 | Y64 G78 S79 D82 F83 | Y64-S85 WeakPolarHBondContact CE1-O 3.32Å; G78-S85 VanDerWaalsContact CA-OG 3.27Å; G78-S85 WeakPolarHBondContact CA-OG 3.43Å; S79-S85 PolarHBondContact N-OG 3.49Å; D82-S85 PolarHBondContact O-N 3.24Å; D82-S85 VanDerWaalsContact O-N 3.11Å; D82-S85 PolarHBondContact O-OG 3.39Å; D82-S85 WeakPolarHBondContact OD2-CB 3.24Å; F83-S85 VanDerWaalsContact C-N 3.31Å |
| 86 | I | 90.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | trans | -89.2 | 128.7 | -174.2 | -57.5 | 164.4 | 0 | 0 | 0 | 109.8 | F62 F83 G84 S88 F91 K92 M95 | F62-I86 HydrophobicContact CB-CD1 4.2Å; F62-I86 HydrophobicContact CB-CG1 4.46Å; F83-I86 HydrophobicContact CD1-CD1 4.3Å; G84-I86 VanDerWaalsContact C-N 3.33Å; G84-I86 PolarHBondContact O-N 3.01Å; I86-S88 PolarHBondContact O-N 3.32Å; I86-F91 HydrophobicContact CG2-CB 3.75Å; I86-K92 HydrophobicContact CB-CG 3.92Å; I86-K92 HydrophobicContact CD1-CG 4.02Å; I86-K92 HydrophobicContact CG2-CG 3.73Å; I86-K92 VanDerWaalsContact O-CE 3.28Å; I86-K92 WeakPolarHBondContact O-CE 3.5Å; I86-M95 HydrophobicContact CD1-CE 3.2Å; I86-M95 HydrophobicContact CG1-CE 4.47Å | ||
| 87 | P | 87.5 | Confident | 91.1 | Very high | 28 Ų | 28 | 50.5 Ų | 50.5 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -71.1 | -28.7 | -161.9 | 27.1 | -36.5 | 0 | 0 | 0 | 114.7 | Y64 F91 E153 | Y64-P87 HydrophobicContact CE1-CG 4.39Å; P87-F91 HydrophobicContact CG-CD2 3.61Å; P87-F91 HydrophobicContact CG-CE2 3.81Å; P87-E153 HydrophobicContact CB-CB 4.02Å; P87-E153 VanDerWaalsContact CB-CD 3.4Å; P87-E153 HydrophobicContact CB-CG 3.9Å; P87-E153 WeakPolarHBondContact CB-OE2 3.1Å |
| 88 | S | 91.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.119 | 27% | 0.274 | C | S | . | . | trans | -129.6 | 145.2 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | I86 A90 F91 K92 G148 | I86-S88 PolarHBondContact O-N 3.32Å; S88-A90 PolarHBondContact O-N 3.25Å; S88-A90 PolarHBondContact OG-N 3.19Å; S88-A90 VanDerWaalsContact OG-N 3.15Å; S88-F91 PolarHBondContact O-N 3.24Å; S88-K92 WeakPolarHBondContact O-CG 3.31Å; S88-K92 PolarHBondContact O-N 3.41Å; S88-G148 WeakPolarHBondContact OG-CA 3.49Å | ||
| 89 | G | 92.8 | Very high | 91.7 | Very high | 46 Ų | 46 | 44.6 Ų | 44.6 | 47% | 0.474 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.5 | -32.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K92 T93 | G89-K92 WeakPolarHBondContact O-CB 3.47Å; G89-K92 PolarHBondContact O-N 2.9Å; G89-T93 PolarHBondContact O-N 3.2Å; G89-T93 PolarHBondContact O-OG1 2.82Å; G89-T93 VanDerWaalsContact O-OG1 3.11Å |
| 90 | A | 94.6 | Very high | 92.1 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S88 K92 T93 A94 I144 D147 | S88-A90 PolarHBondContact O-N 3.25Å; S88-A90 PolarHBondContact OG-N 3.19Å; S88-A90 VanDerWaalsContact OG-N 3.15Å; A90-K92 VanDerWaalsContact C-N 3.32Å; A90-K92 PolarHBondContact O-N 3.44Å; A90-T93 PolarHBondContact O-N 3.4Å; A90-A94 WeakPolarHBondContact O-CB 3.36Å; A90-A94 PolarHBondContact O-N 3.35Å; A90-I144 HydrophobicContact CB-CG2 4.05Å; A90-I144 VanDerWaalsContact O-CG2 3.28Å; A90-I144 WeakPolarHBondContact O-CG2 3.39Å; A90-D147 HydrophobicContact CB-CB 3.85Å |
| 91 | F | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.6 | -69.6 | -11.2 | 0 | 0 | 0 | 112.5 | I86 P87 S88 A94 M95 Y145 W149 V154 | I86-F91 HydrophobicContact CG2-CB 3.75Å; P87-F91 HydrophobicContact CG-CD2 3.61Å; P87-F91 HydrophobicContact CG-CE2 3.81Å; S88-F91 PolarHBondContact O-N 3.24Å; F91-A94 PolarHBondContact O-N 3.46Å; F91-M95 WeakPolarHBondContact O-CB 3.21Å; F91-M95 PolarHBondContact O-N 3.45Å; F91-Y145 AromaticContact CD1-CD2 3.65Å; F91-Y145 HydrophobicContact CD1-CD2 3.65Å; F91-Y145 AromaticContact CD1-CE2 3.61Å; F91-Y145 HydrophobicContact CD1-CE2 3.61Å; F91-Y145 HydrophobicContact CD1-CG 4.36Å; F91-Y145 HydrophobicContact CE1-CD1 4.41Å; F91-Y145 AromaticContact CE1-CD2 3.81Å; F91-Y145 HydrophobicContact CE1-CD2 3.81Å; F91-Y145 HydrophobicContact CE1-CE1 4.21Å; F91-Y145 AromaticContact CE1-CE2 3.58Å; F91-Y145 HydrophobicContact CE1-CE2 3.58Å; F91-Y145 HydrophobicContact CE1-CG 4.23Å; F91-Y145 AromaticContact CE1-CZ 3.79Å; F91-Y145 VanDerWaalsContact CE1-O 3.27Å; F91-Y145 WeakPolarHBondContact CE1-O 3.35Å; F91-Y145 HydrophobicContact CG-CE2 4.26Å; F91-Y145 HydrophobicContact CZ-CE2 4.24Å; F91-W149 AromaticContact CE1-CD1 3.99Å; F91-V154 HydrophobicContact CE2-CG2 4.05Å; F91-V154 HydrophobicContact CZ-CG2 4.06Å |
| 92 | K | 95.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60 | -49.9 | 173.6 | -60.1 | 176.4 | -158.5 | -165.5 | 0 | 110.6 | F83 I86 S88 G89 A90 M95 F96 | F83-K92 WeakPolarHBondContact O-CE 3.28Å; F83-K92 PolarHBondContact O-NZ 2.99Å; I86-K92 HydrophobicContact CB-CG 3.92Å; I86-K92 HydrophobicContact CD1-CG 4.02Å; I86-K92 HydrophobicContact CG2-CG 3.73Å; I86-K92 VanDerWaalsContact O-CE 3.28Å; I86-K92 WeakPolarHBondContact O-CE 3.5Å; S88-K92 WeakPolarHBondContact O-CG 3.31Å; S88-K92 PolarHBondContact O-N 3.41Å; G89-K92 WeakPolarHBondContact O-CB 3.47Å; G89-K92 PolarHBondContact O-N 2.9Å; A90-K92 VanDerWaalsContact C-N 3.32Å; A90-K92 PolarHBondContact O-N 3.44Å; K92-M95 WeakPolarHBondContact O-CB 3.33Å; K92-M95 PolarHBondContact O-N 2.81Å; K92-F96 WeakPolarHBondContact O-CD2 3.41Å; K92-F96 PolarHBondContact O-N 2.92Å; K92-F96 VanDerWaalsContact O-N 3.12Å |
| 93 | T | 95.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 37% | 0.368 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -43 | 179.3 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | G89 A90 M95 F96 F97 I144 | G89-T93 PolarHBondContact O-N 3.2Å; G89-T93 PolarHBondContact O-OG1 2.82Å; G89-T93 VanDerWaalsContact O-OG1 3.11Å; A90-T93 PolarHBondContact O-N 3.4Å; T93-M95 VanDerWaalsContact C-N 3.32Å; T93-M95 PolarHBondContact O-N 3.43Å; T93-F96 PolarHBondContact O-N 3.38Å; T93-F97 HydrophobicContact CG2-CD2 3.89Å; T93-F97 HydrophobicContact CG2-CE2 3.7Å; T93-F97 WeakPolarHBondContact O-CD2 3.46Å; T93-F97 PolarHBondContact O-N 2.92Å; T93-F97 VanDerWaalsContact O-N 3.14Å; T93-I144 HydrophobicContact CG2-CD1 3.74Å; T93-I144 HydrophobicContact CG2-CG2 4.41Å |
| 94 | A | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L61 A90 F91 F96 F97 V98 I144 Y145 | L61-A94 HydrophobicContact CD2-CB 4.01Å; A90-A94 WeakPolarHBondContact O-CB 3.36Å; A90-A94 PolarHBondContact O-N 3.35Å; F91-A94 PolarHBondContact O-N 3.46Å; A94-F96 VanDerWaalsContact C-N 3.33Å; A94-F96 PolarHBondContact O-N 3.43Å; A94-F97 PolarHBondContact O-N 3.07Å; A94-V98 WeakPolarHBondContact O-CB 3.35Å; A94-V98 VanDerWaalsContact O-CG2 3.27Å; A94-V98 WeakPolarHBondContact O-CG2 3.41Å; A94-V98 PolarHBondContact O-N 3.22Å; A94-I144 HydrophobicContact CB-CB 4.39Å; A94-I144 HydrophobicContact CB-CG2 4.17Å; A94-Y145 HydrophobicContact CB-CD2 4.31Å |
| 95 | M | 95.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.2 | -45.1 | 174.7 | -172.5 | -157.2 | -29.8 | 0 | 0 | 111.8 | F41 L61 F62 A80 F83 I86 F91 K92 T93 F97 G99 | F41-M95 HydrophobicContact CE2-CG 3.68Å; F41-M95 HydrophobicContact CZ-CG 4.03Å; F41-M95 HydrophobicContact CZ-SD 4.46Å; L61-M95 HydrophobicContact CB-CB 4.21Å; L61-M95 HydrophobicContact CB-CG 4.33Å; F62-M95 HydrophobicContact CB-CE 3.44Å; F62-M95 VanDerWaalsContact CB-CE 3.44Å; F62-M95 HydrophobicContact CB-SD 3.97Å; F62-M95 HydrophobicContact CD1-CE 4.38Å; F62-M95 HydrophobicContact CD1-CG 3.98Å; F62-M95 HydrophobicContact CD1-SD 3.86Å; F62-M95 HydrophobicContact CG-CE 4.35Å; F62-M95 HydrophobicContact CG-SD 4.27Å; A80-M95 HydrophobicContact CB-SD 4.19Å; F83-M95 HydrophobicContact CE1-CE 4.47Å; I86-M95 HydrophobicContact CD1-CE 3.2Å; I86-M95 HydrophobicContact CG1-CE 4.47Å; F91-M95 WeakPolarHBondContact O-CB 3.21Å; F91-M95 PolarHBondContact O-N 3.45Å; K92-M95 WeakPolarHBondContact O-CB 3.33Å; K92-M95 PolarHBondContact O-N 2.81Å; T93-M95 VanDerWaalsContact C-N 3.32Å; T93-M95 PolarHBondContact O-N 3.43Å; M95-F97 PolarHBondContact O-N 3.02Å; M95-G99 WeakPolarHBondContact O-CA 3.34Å; M95-G99 PolarHBondContact O-N 3.1Å |
| 96 | F | 95.9 | Very high | 95 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 47% | 0.474 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.2 | -48 | 178.9 | -78.7 | -68 | 0 | 0 | 0 | 111.9 | F83 K92 T93 A94 G99 I100 | F83-F96 HydrophobicContact CD1-CE2 4.32Å; F83-F96 HydrophobicContact CD1-CZ 4.18Å; F83-F96 HydrophobicContact CE1-CE1 4.1Å; F83-F96 AromaticContact CE1-CE2 3.8Å; F83-F96 HydrophobicContact CE1-CE2 3.8Å; F83-F96 AromaticContact CE1-CZ 3.33Å; F83-F96 HydrophobicContact CE1-CZ 3.33Å; F83-F96 HydrophobicContact CZ-CE1 4.15Å; F83-F96 AromaticContact CZ-CZ 3.63Å; F83-F96 HydrophobicContact CZ-CZ 3.63Å; K92-F96 WeakPolarHBondContact O-CD2 3.41Å; K92-F96 PolarHBondContact O-N 2.92Å; K92-F96 VanDerWaalsContact O-N 3.12Å; T93-F96 PolarHBondContact O-N 3.38Å; A94-F96 VanDerWaalsContact C-N 3.33Å; A94-F96 PolarHBondContact O-N 3.43Å; F96-G99 PolarHBondContact O-N 3.44Å; F96-I100 WeakPolarHBondContact O-CB 3.27Å; F96-I100 VanDerWaalsContact O-CG1 3.25Å; F96-I100 WeakPolarHBondContact O-CG1 3.47Å; F96-I100 PolarHBondContact O-N 3.16Å |
| 97 | F | 97.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 36.5 Ų | 36.5 | 28% | 0.281 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66 | -45.1 | 179.6 | -79.3 | -71.3 | 0 | 0 | 0 | 112.7 | T93 A94 M95 G99 I100 S101 C137 I140 I144 | T93-F97 HydrophobicContact CG2-CD2 3.89Å; T93-F97 HydrophobicContact CG2-CE2 3.7Å; T93-F97 WeakPolarHBondContact O-CD2 3.46Å; T93-F97 PolarHBondContact O-N 2.92Å; T93-F97 VanDerWaalsContact O-N 3.14Å; A94-F97 PolarHBondContact O-N 3.07Å; M95-F97 PolarHBondContact O-N 3.02Å; F97-G99 VanDerWaalsContact C-N 3.3Å; F97-G99 PolarHBondContact O-N 2.6Å; F97-I100 PolarHBondContact O-N 2.63Å; F97-S101 WeakPolarHBondContact O-CB 3.49Å; F97-S101 PolarHBondContact O-N 3.5Å; F97-C137 HydrophobicContact CD1-CB 4.36Å; F97-C137 WeakPolarHBondContact O-CB 3.31Å; F97-I140 HydrophobicContact CD1-CB 4.28Å; F97-I140 HydrophobicContact CD1-CD1 4.44Å; F97-I140 HydrophobicContact CD1-CG2 3.98Å; F97-I140 HydrophobicContact CD2-CG2 3.64Å; F97-I140 HydrophobicContact CE1-CD1 4.16Å; F97-I140 HydrophobicContact CE1-CG2 4.02Å; F97-I140 HydrophobicContact CE2-CG2 3.69Å; F97-I140 HydrophobicContact CG-CB 4.3Å; F97-I140 HydrophobicContact CG-CG2 3.8Å; F97-I140 HydrophobicContact CZ-CG2 3.88Å; F97-I144 HydrophobicContact CD2-CD1 3.98Å; F97-I144 HydrophobicContact CE2-CD1 3.97Å |
| 98 | V | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | F41 W46 L61 A94 S101 M102 M138 | F41-V98 HydrophobicContact CB-CG1 4.44Å; F41-V98 HydrophobicContact CD2-CB 4.36Å; F41-V98 HydrophobicContact CD2-CG1 4.01Å; W46-V98 HydrophobicContact CH2-CG2 3.94Å; W46-V98 HydrophobicContact CZ2-CG1 4.43Å; W46-V98 HydrophobicContact CZ2-CG2 4.48Å; L61-V98 HydrophobicContact CD1-CB 3.94Å; L61-V98 HydrophobicContact CD1-CG1 3.8Å; L61-V98 HydrophobicContact CD1-CG2 4.26Å; L61-V98 HydrophobicContact CD2-CG2 4.19Å; A94-V98 WeakPolarHBondContact O-CB 3.35Å; A94-V98 VanDerWaalsContact O-CG2 3.27Å; A94-V98 WeakPolarHBondContact O-CG2 3.41Å; A94-V98 PolarHBondContact O-N 3.22Å; V98-S101 WeakPolarHBondContact O-CB 3.45Å; V98-S101 PolarHBondContact O-N 3.34Å; V98-M102 PolarHBondContact O-N 3.22Å; V98-M138 HydrophobicContact CG1-CE 3.87Å; V98-M138 HydrophobicContact CG1-SD 4.03Å; V98-M138 HydrophobicContact CG2-SD 4.08Å |
| 99 | G | 96.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F41 M95 F96 F97 S101 M102 L103 | F41-G99 VanDerWaalsContact CE2-CA 3.47Å; M95-G99 WeakPolarHBondContact O-CA 3.34Å; M95-G99 PolarHBondContact O-N 3.1Å; F96-G99 PolarHBondContact O-N 3.44Å; F97-G99 VanDerWaalsContact C-N 3.3Å; F97-G99 PolarHBondContact O-N 2.6Å; G99-S101 VanDerWaalsContact C-N 3.33Å; G99-S101 PolarHBondContact O-N 3.3Å; G99-M102 WeakPolarHBondContact O-CB 3.32Å; G99-M102 PolarHBondContact O-N 2.99Å; G99-L103 WeakPolarHBondContact O-CG 3.49Å; G99-L103 PolarHBondContact O-N 2.81Å |
| 100 | I | 97.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 38.8 Ų | 38.8 | 41% | 0.405 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.1 | -70.2 | 165.2 | 0 | 0 | 0 | 110.3 | F96 F97 M102 L103 L104 | F96-I100 WeakPolarHBondContact O-CB 3.27Å; F96-I100 VanDerWaalsContact O-CG1 3.25Å; F96-I100 WeakPolarHBondContact O-CG1 3.47Å; F96-I100 PolarHBondContact O-N 3.16Å; F97-I100 PolarHBondContact O-N 2.63Å; I100-M102 VanDerWaalsContact C-N 3.32Å; I100-M102 PolarHBondContact O-N 3.38Å; I100-L103 PolarHBondContact O-N 3.5Å; I100-L104 HydrophobicContact CG2-CD1 3.87Å; I100-L104 HydrophobicContact CG2-CG 4.26Å; I100-L104 WeakPolarHBondContact O-CB 3.49Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.24Å; I100-L104 PolarHBondContact O-N 3.45Å |
| 101 | S | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -46.3 | 174.5 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | F97 V98 G99 L104 V105 S134 | F97-S101 WeakPolarHBondContact O-CB 3.49Å; F97-S101 PolarHBondContact O-N 3.5Å; V98-S101 WeakPolarHBondContact O-CB 3.45Å; V98-S101 PolarHBondContact O-N 3.34Å; G99-S101 VanDerWaalsContact C-N 3.33Å; G99-S101 PolarHBondContact O-N 3.3Å; S101-L104 PolarHBondContact O-N 3.17Å; S101-V105 WeakPolarHBondContact O-CG2 3.34Å; S101-V105 PolarHBondContact O-N 3.12Å; S101-V105 VanDerWaalsContact O-N 3.12Å; S101-S134 WeakPolarHBondContact CA-OG 3.45Å; S101-S134 WeakPolarHBondContact CB-O 3.3Å; S101-S134 WeakPolarHBondContact CB-OG 3.05Å; S101-S134 PolarHBondContact O-OG 3.01Å; S101-S134 PolarHBondContact OG-O 2.97Å; S101-S134 PolarHBondContact OG-OG 3.06Å |
| 102 | M | 96.5 | Very high | 93.4 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 176 | -173.7 | -88.2 | -80.8 | 0 | 0 | 112.1 | V37 M38 F41 V98 G99 I100 L104 V105 V106 | V37-M102 HydrophobicContact CG1-CB 3.74Å; V37-M102 HydrophobicContact CG1-CG 4.11Å; M38-M102 HydrophobicContact CB-CG 4.43Å; F41-M102 HydrophobicContact CD1-CE 4.02Å; F41-M102 HydrophobicContact CE1-CE 4.32Å; V98-M102 PolarHBondContact O-N 3.22Å; G99-M102 WeakPolarHBondContact O-CB 3.32Å; G99-M102 PolarHBondContact O-N 2.99Å; I100-M102 VanDerWaalsContact C-N 3.32Å; I100-M102 PolarHBondContact O-N 3.38Å; M102-L104 VanDerWaalsContact C-N 3.33Å; M102-L104 PolarHBondContact O-N 2.98Å; M102-V105 PolarHBondContact O-N 3.3Å; M102-V106 WeakPolarHBondContact O-CG2 3.4Å; M102-V106 PolarHBondContact O-N 2.87Å; M102-V106 HydrophobicContact SD-CG2 3.84Å |
| 103 | L | 96.6 | Very high | 92.3 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 60% | 0.597 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -63.5 | -37.1 | 179.5 | -69.5 | 175.5 | 0 | 0 | 0 | 112.6 | G99 I100 G107 | G99-L103 WeakPolarHBondContact O-CG 3.49Å; G99-L103 PolarHBondContact O-N 2.81Å; I100-L103 PolarHBondContact O-N 3.5Å; L103-G107 WeakPolarHBondContact O-CA 2.98Å; L103-G107 PolarHBondContact O-N 3.26Å |
| 104 | L | 96.4 | Very high | 91.1 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 174.8 | -74.7 | 170.4 | 0 | 0 | 0 | 111.7 | I100 S101 M102 G107 S108 M130 A133 | I100-L104 HydrophobicContact CG2-CD1 3.87Å; I100-L104 HydrophobicContact CG2-CG 4.26Å; I100-L104 WeakPolarHBondContact O-CB 3.49Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 3.24Å; I100-L104 PolarHBondContact O-N 3.45Å; S101-L104 PolarHBondContact O-N 3.17Å; M102-L104 VanDerWaalsContact C-N 3.33Å; M102-L104 PolarHBondContact O-N 2.98Å; L104-G107 PolarHBondContact O-N 3.3Å; L104-S108 PolarHBondContact O-N 3.48Å; L104-M130 HydrophobicContact CD2-CE 4.39Å; L104-M130 WeakPolarHBondContact O-CE 3.39Å; L104-A133 HydrophobicContact CD1-CB 3.81Å |
| 105 | V | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.2 | -45.3 | 178.2 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | F33 A34 S101 M102 G107 S108 I109 S134 | F33-V105 HydrophobicContact CD1-CB 4.47Å; F33-V105 HydrophobicContact CD1-CG1 3.58Å; F33-V105 HydrophobicContact CD1-CG2 3.98Å; F33-V105 HydrophobicContact CE1-CB 4.41Å; F33-V105 HydrophobicContact CE1-CG1 3.98Å; F33-V105 HydrophobicContact CE1-CG2 3.48Å; F33-V105 VanDerWaalsContact CE1-CG2 3.48Å; F33-V105 HydrophobicContact CZ-CG2 4.45Å; A34-V105 HydrophobicContact CB-CG1 3.7Å; S101-V105 WeakPolarHBondContact O-CG2 3.34Å; S101-V105 PolarHBondContact O-N 3.12Å; S101-V105 VanDerWaalsContact O-N 3.12Å; M102-V105 PolarHBondContact O-N 3.3Å; V105-G107 VanDerWaalsContact C-N 3.3Å; V105-G107 PolarHBondContact O-N 3.46Å; V105-S108 WeakPolarHBondContact O-CB 3.13Å; V105-S108 PolarHBondContact O-N 2.89Å; V105-S108 VanDerWaalsContact O-N 3.14Å; V105-S108 PolarHBondContact O-OG 3.34Å; V105-I109 PolarHBondContact O-N 3.45Å; V105-S134 VanDerWaalsContact CG2-OG 3.22Å; V105-S134 WeakPolarHBondContact CG2-OG 3.47Å |
| 106 | V | 94.3 | Very high | 88.5 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | M102 S108 I109 V110 | M102-V106 WeakPolarHBondContact O-CG2 3.4Å; M102-V106 PolarHBondContact O-N 2.87Å; M102-V106 HydrophobicContact SD-CG2 3.84Å; V106-S108 VanDerWaalsContact C-N 3.28Å; V106-S108 PolarHBondContact O-N 3.23Å; V106-I109 WeakPolarHBondContact O-CB 3.34Å; V106-I109 PolarHBondContact O-N 2.93Å; V106-I109 VanDerWaalsContact O-N 3.09Å; V106-V110 PolarHBondContact O-N 3.11Å |
| 107 | G | 92.8 | Very high | 87.1 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L103 L104 V105 I109 V110 C111 | L103-G107 WeakPolarHBondContact O-CA 2.98Å; L103-G107 PolarHBondContact O-N 3.26Å; L104-G107 PolarHBondContact O-N 3.3Å; V105-G107 VanDerWaalsContact C-N 3.3Å; V105-G107 PolarHBondContact O-N 3.46Å; G107-I109 VanDerWaalsContact C-N 3.26Å; G107-I109 PolarHBondContact O-N 3Å; G107-V110 PolarHBondContact O-N 2.9Å; G107-V110 VanDerWaalsContact O-N 3.08Å; G107-C111 PolarHBondContact O-N 2.94Å; G107-C111 PolarHBondContact O-SG 3.49Å |
| 108 | S | 91.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -33.2 | 176 | 78.4 | 0 | 0 | 0 | 0 | 112.3 | T30 L104 V105 V106 C111 F112 | T30-S108 WeakPolarHBondContact CG2-OG 3.36Å; L104-S108 PolarHBondContact O-N 3.48Å; V105-S108 WeakPolarHBondContact O-CB 3.13Å; V105-S108 PolarHBondContact O-N 2.89Å; V105-S108 VanDerWaalsContact O-N 3.14Å; V105-S108 PolarHBondContact O-OG 3.34Å; V106-S108 VanDerWaalsContact C-N 3.28Å; V106-S108 PolarHBondContact O-N 3.23Å; S108-C111 PolarHBondContact O-N 3.01Å; S108-F112 WeakPolarHBondContact O-CD2 3.36Å; S108-F112 PolarHBondContact O-N 2.95Å |
| 109 | I | 89.3 | Confident | 85.3 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 171.9 | -62.3 | 175 | 0 | 0 | 0 | 110.6 | T30 I31 A34 V105 V106 G107 C111 F112 | T30-I109 HydrophobicContact CG2-CG1 4.13Å; I31-I109 HydrophobicContact CG1-CD1 4.14Å; I31-I109 HydrophobicContact CG1-CG1 4.43Å; A34-I109 HydrophobicContact CB-CD1 3.32Å; A34-I109 HydrophobicContact CB-CG1 4.44Å; V105-I109 PolarHBondContact O-N 3.45Å; V106-I109 WeakPolarHBondContact O-CB 3.34Å; V106-I109 PolarHBondContact O-N 2.93Å; V106-I109 VanDerWaalsContact O-N 3.09Å; G107-I109 VanDerWaalsContact C-N 3.26Å; G107-I109 PolarHBondContact O-N 3Å; I109-C111 VanDerWaalsContact C-N 3.28Å; I109-C111 PolarHBondContact O-N 3.2Å; I109-F112 VanDerWaalsContact O-CB 3.31Å; I109-F112 WeakPolarHBondContact O-CB 3.47Å; I109-F112 PolarHBondContact O-N 2.89Å |
| 110 | V | 86.3 | Confident | 84.4 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | V106 G107 F112 S113 | V106-V110 PolarHBondContact O-N 3.11Å; G107-V110 PolarHBondContact O-N 2.9Å; G107-V110 VanDerWaalsContact O-N 3.08Å; V110-F112 PolarHBondContact O-N 3.49Å; V110-S113 WeakPolarHBondContact O-CB 3.35Å; V110-S113 PolarHBondContact O-N 3.24Å |
| 111 | C | 83.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -24 | 173.7 | -69.1 | 0 | 0 | 0 | 0 | 112.9 | G107 S108 I109 S113 L114 V123 | G107-C111 PolarHBondContact O-N 2.94Å; G107-C111 PolarHBondContact O-SG 3.49Å; S108-C111 PolarHBondContact O-N 3.01Å; I109-C111 VanDerWaalsContact C-N 3.28Å; I109-C111 PolarHBondContact O-N 3.2Å; C111-S113 VanDerWaalsContact C-N 3.32Å; C111-S113 PolarHBondContact O-N 3.22Å; C111-L114 WeakPolarHBondContact O-CB 3.27Å; C111-L114 PolarHBondContact O-N 3.34Å; C111-L114 VanDerWaalsContact O-N 3.12Å; C111-V123 WeakPolarHBondContact O-CG1 3.02Å |
| 112 | F | 73.4 | Confident | 83.2 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 172 | -75.2 | -94.5 | 0 | 0 | 0 | 113 | W26 T27 T30 S108 I109 V110 L114 F115 | W26-F112 HydrophobicContact CD2-CZ 4.22Å; W26-F112 AromaticContact CE3-CE1 3.54Å; W26-F112 HydrophobicContact CE3-CE1 3.54Å; W26-F112 HydrophobicContact CE3-CE2 4.37Å; W26-F112 AromaticContact CE3-CZ 3.24Å; W26-F112 HydrophobicContact CE3-CZ 3.24Å; W26-F112 HydrophobicContact CH2-CE1 4.17Å; W26-F112 AromaticContact CH2-CE2 3.88Å; W26-F112 HydrophobicContact CH2-CE2 3.88Å; W26-F112 AromaticContact CH2-CZ 3.46Å; W26-F112 HydrophobicContact CH2-CZ 3.46Å; W26-F112 VanDerWaalsContact CH2-CZ 3.46Å; W26-F112 HydrophobicContact CZ2-CZ 4.42Å; W26-F112 HydrophobicContact CZ3-CD1 4.36Å; W26-F112 AromaticContact CZ3-CE1 3.19Å; W26-F112 HydrophobicContact CZ3-CE1 3.19Å; W26-F112 AromaticContact CZ3-CE2 3.69Å; W26-F112 HydrophobicContact CZ3-CE2 3.69Å; W26-F112 AromaticContact CZ3-CZ 2.82Å; W26-F112 HydrophobicContact CZ3-CZ 2.82Å; T27-F112 HydrophobicContact CG2-CD1 4.06Å; T27-F112 HydrophobicContact CG2-CE1 3.85Å; T27-F112 HydrophobicContact CG2-CE2 4.3Å; T27-F112 HydrophobicContact CG2-CG 4.39Å; T27-F112 HydrophobicContact CG2-CZ 3.87Å; T27-F112 WeakPolarHBondContact OG1-CE1 3.5Å; T27-F112 WeakPolarHBondContact OG1-CZ 2.97Å; T30-F112 HydrophobicContact CG2-CE2 4.28Å; S108-F112 WeakPolarHBondContact O-CD2 3.36Å; S108-F112 PolarHBondContact O-N 2.95Å; I109-F112 VanDerWaalsContact O-CB 3.31Å; I109-F112 WeakPolarHBondContact O-CB 3.47Å; I109-F112 PolarHBondContact O-N 2.89Å; V110-F112 PolarHBondContact O-N 3.49Å; F112-L114 PolarHBondContact O-N 3.36Å; F112-F115 HydrophobicContact CB-CD2 4.02Å; F112-F115 HydrophobicContact CB-CE2 4.2Å; F112-F115 AromaticContact CD1-CD2 3.74Å; F112-F115 HydrophobicContact CD1-CD2 3.74Å; F112-F115 AromaticContact CD1-CE2 3.26Å; F112-F115 HydrophobicContact CD1-CE2 3.26Å; F112-F115 HydrophobicContact CD1-CZ 4.32Å; F112-F115 AromaticContact CE1-CE2 3.88Å; F112-F115 HydrophobicContact CE1-CE2 3.88Å; F112-F115 HydrophobicContact CG-CD2 4.2Å; F112-F115 AromaticContact CG-CE2 3.9Å; F112-F115 HydrophobicContact CG-CE2 3.9Å; F112-F115 WeakPolarHBondContact O-CB 3.36Å; F112-F115 WeakPolarHBondContact O-CD2 3.36Å; F112-F115 PolarHBondContact O-N 3.48Å |
| 113 | S | 71.9 | Confident | 82.8 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.9 | -17 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | V110 C111 | V110-S113 WeakPolarHBondContact O-CB 3.35Å; V110-S113 PolarHBondContact O-N 3.24Å; C111-S113 VanDerWaalsContact C-N 3.32Å; C111-S113 PolarHBondContact O-N 3.22Å |
| 114 | L | 71.4 | Confident | 82.5 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -85.7 | -3.7 | 176.4 | -55.3 | 175.3 | 0 | 0 | 0 | 113.8 | C111 F112 F116 F117 C118 | C111-L114 WeakPolarHBondContact O-CB 3.27Å; C111-L114 PolarHBondContact O-N 3.34Å; C111-L114 VanDerWaalsContact O-N 3.12Å; F112-L114 PolarHBondContact O-N 3.36Å; L114-F116 PolarHBondContact O-N 3.18Å; L114-F117 PolarHBondContact O-N 2.85Å; L114-C118 PolarHBondContact O-N 2.91Å |
| 115 | F | 69.6 | Low | 82.3 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -57.2 | -21 | 173.1 | -88.3 | -75.4 | 0 | 0 | 0 | 113.1 | F112 A120 V123 Y124 | F112-F115 HydrophobicContact CB-CD2 4.02Å; F112-F115 HydrophobicContact CB-CE2 4.2Å; F112-F115 AromaticContact CD1-CD2 3.74Å; F112-F115 HydrophobicContact CD1-CD2 3.74Å; F112-F115 AromaticContact CD1-CE2 3.26Å; F112-F115 HydrophobicContact CD1-CE2 3.26Å; F112-F115 HydrophobicContact CD1-CZ 4.32Å; F112-F115 AromaticContact CE1-CE2 3.88Å; F112-F115 HydrophobicContact CE1-CE2 3.88Å; F112-F115 HydrophobicContact CG-CD2 4.2Å; F112-F115 AromaticContact CG-CE2 3.9Å; F112-F115 HydrophobicContact CG-CE2 3.9Å; F112-F115 WeakPolarHBondContact O-CB 3.36Å; F112-F115 WeakPolarHBondContact O-CD2 3.36Å; F112-F115 PolarHBondContact O-N 3.48Å; F115-A120 HydrophobicContact CD1-CB 3.76Å; F115-A120 HydrophobicContact CE1-CB 3.65Å; F115-V123 HydrophobicContact CD1-CB 4.25Å; F115-V123 HydrophobicContact CD1-CG1 4.39Å; F115-V123 HydrophobicContact CD1-CG2 4.47Å; F115-V123 HydrophobicContact CD2-CG1 3.95Å; F115-V123 HydrophobicContact CE1-CB 3.86Å; F115-V123 HydrophobicContact CE1-CG1 4.03Å; F115-V123 HydrophobicContact CE2-CB 4.21Å; F115-V123 HydrophobicContact CE2-CG1 3.45Å; F115-V123 VanDerWaalsContact CE2-CG1 3.45Å; F115-V123 HydrophobicContact CG-CG1 4.34Å; F115-V123 HydrophobicContact CZ-CB 3.8Å; F115-V123 HydrophobicContact CZ-CG1 3.51Å; F115-Y124 HydrophobicContact CE1-CD2 4.11Å; F115-Y124 HydrophobicContact CE1-CE1 4.33Å; F115-Y124 AromaticContact CE1-CE2 3.73Å; F115-Y124 HydrophobicContact CE1-CE2 3.73Å; F115-Y124 AromaticContact CE1-CZ 3.84Å; F115-Y124 HydrophobicContact CE2-CE1 4.5Å; F115-Y124 AromaticContact CZ-CD1 3.93Å; F115-Y124 HydrophobicContact CZ-CD1 3.93Å; F115-Y124 HydrophobicContact CZ-CD2 4.16Å; F115-Y124 AromaticContact CZ-CE1 3.63Å; F115-Y124 HydrophobicContact CZ-CE1 3.63Å; F115-Y124 AromaticContact CZ-CE2 3.88Å; F115-Y124 HydrophobicContact CZ-CE2 3.88Å; F115-Y124 HydrophobicContact CZ-CG 4.16Å; F115-Y124 AromaticContact CZ-CZ 3.59Å |
| 116 | F | 68 | Low | 82.1 | Confident | 186 Ų | 186 | 60.2 Ų | 60.2 | 82% | 0.816 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -74.5 | -24.6 | 175.9 | -67.7 | -76.2 | 0 | 0 | 0 | 113.7 | L114 | L114-F116 PolarHBondContact O-N 3.18Š|
| 117 | F | 66.8 | Low | 82.1 | Confident | 176 Ų | 176 | 57.4 Ų | 57.4 | 77% | 0.772 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -23.2 | -172.9 | -62.9 | -76.1 | 0 | 0 | 0 | 113.5 | L114 | L114-F117 PolarHBondContact O-N 2.85Š|
| 118 | C | 75.6 | Confident | 82.1 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -116 | 155.9 | -175.2 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | L114 A120 V123 | L114-C118 PolarHBondContact O-N 2.91Å; C118-A120 PolarHBondContact O-N 3.25Å; C118-V123 HydrophobicContact CB-CG2 3.67Å |
| 119 | N | 80.3 | Confident | 82.3 | Confident | 76 Ų | 76 | 64.3 Ų | 64.3 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | trans | -58.1 | 125.2 | 171.7 | -177.2 | -13.8 | 0 | 0 | 0 | 109.8 | G121 S122 V123 L204 | N119-G121 PolarHBondContact O-N 3.45Å; N119-G121 PolarHBondContact OD1-N 3.07Å; N119-S122 WeakPolarHBondContact O-CB 3.22Å; N119-S122 PolarHBondContact O-N 2.89Å; N119-V123 PolarHBondContact O-N 3.48Å; N119-V123 VanDerWaalsContact O-N 3.11Å; N119-L204 WeakPolarHBondContact ND2-CD1 3.43Å; N119-L204 WeakPolarHBondContact OD1-CD1 3.37Å | ||
| 120 | A | 79.4 | Confident | 82.6 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 21% | 0.207 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51.8 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F115 C118 S122 V123 Y124 Q200 | F115-A120 HydrophobicContact CD1-CB 3.76Å; F115-A120 HydrophobicContact CE1-CB 3.65Å; C118-A120 PolarHBondContact O-N 3.25Å; A120-S122 PolarHBondContact O-N 3.4Å; A120-V123 PolarHBondContact O-N 2.94Å; A120-Y124 HydrophobicContact CB-CE2 4.41Å; A120-Y124 WeakPolarHBondContact O-CD2 3.41Å; A120-Y124 PolarHBondContact O-N 2.9Å; A120-Q200 HydrophobicContact CB-CG 4.1Å |
| 121 | G | 82.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N119 Y124 K125 | N119-G121 PolarHBondContact O-N 3.45Å; N119-G121 PolarHBondContact OD1-N 3.07Å; G121-Y124 PolarHBondContact O-N 2.97Å; G121-K125 WeakPolarHBondContact O-CG 3.42Å; G121-K125 PolarHBondContact O-N 3.02Å; G121-K125 VanDerWaalsContact O-N 3.17Å |
| 122 | S | 85.6 | Confident | 83.7 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 112 | N119 A120 Y124 K125 I126 | N119-S122 WeakPolarHBondContact O-CB 3.22Å; N119-S122 PolarHBondContact O-N 2.89Å; A120-S122 PolarHBondContact O-N 3.4Å; S122-Y124 PolarHBondContact O-N 3.49Å; S122-K125 PolarHBondContact O-N 2.7Å; S122-I126 VanDerWaalsContact O-CG1 3.28Å; S122-I126 WeakPolarHBondContact O-CG1 3.49Å; S122-I126 PolarHBondContact O-N 3.26Å |
| 123 | V | 88.9 | Confident | 84.8 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | C111 F115 C118 N119 A120 K125 I126 C127 | C111-V123 WeakPolarHBondContact O-CG1 3.02Å; F115-V123 HydrophobicContact CD1-CB 4.25Å; F115-V123 HydrophobicContact CD1-CG1 4.39Å; F115-V123 HydrophobicContact CD1-CG2 4.47Å; F115-V123 HydrophobicContact CD2-CG1 3.95Å; F115-V123 HydrophobicContact CE1-CB 3.86Å; F115-V123 HydrophobicContact CE1-CG1 4.03Å; F115-V123 HydrophobicContact CE2-CB 4.21Å; F115-V123 HydrophobicContact CE2-CG1 3.45Å; F115-V123 VanDerWaalsContact CE2-CG1 3.45Å; F115-V123 HydrophobicContact CG-CG1 4.34Å; F115-V123 HydrophobicContact CZ-CB 3.8Å; F115-V123 HydrophobicContact CZ-CG1 3.51Å; C118-V123 HydrophobicContact CB-CG2 3.67Å; N119-V123 PolarHBondContact O-N 3.48Å; N119-V123 VanDerWaalsContact O-N 3.11Å; A120-V123 PolarHBondContact O-N 2.94Å; V123-K125 PolarHBondContact O-N 3.19Å; V123-I126 PolarHBondContact O-N 2.87Å; V123-C127 PolarHBondContact O-N 3.4Å; V123-C127 PolarHBondContact O-SG 3.12Å |
| 124 | Y | 89.9 | Confident | 86 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 11% | 0.114 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 176.3 | -75.3 | -58.2 | 0 | 0 | 0 | 112.3 | W26 F115 A120 G121 S122 C127 A128 L196 | W26-Y124 AromaticContact CE3-CD1 3.99Å; W26-Y124 HydrophobicContact CE3-CD1 3.99Å; W26-Y124 AromaticContact CE3-CE1 3.74Å; W26-Y124 HydrophobicContact CE3-CE1 3.74Å; W26-Y124 HydrophobicContact CH2-CD1 4.36Å; W26-Y124 AromaticContact CZ3-CD1 3.63Å; W26-Y124 HydrophobicContact CZ3-CD1 3.63Å; W26-Y124 AromaticContact CZ3-CE1 3.68Å; W26-Y124 HydrophobicContact CZ3-CE1 3.68Å; F115-Y124 HydrophobicContact CE1-CD2 4.11Å; F115-Y124 HydrophobicContact CE1-CE1 4.33Å; F115-Y124 AromaticContact CE1-CE2 3.73Å; F115-Y124 HydrophobicContact CE1-CE2 3.73Å; F115-Y124 AromaticContact CE1-CZ 3.84Å; F115-Y124 HydrophobicContact CE2-CE1 4.5Å; F115-Y124 AromaticContact CZ-CD1 3.93Å; F115-Y124 HydrophobicContact CZ-CD1 3.93Å; F115-Y124 HydrophobicContact CZ-CD2 4.16Å; F115-Y124 AromaticContact CZ-CE1 3.63Å; F115-Y124 HydrophobicContact CZ-CE1 3.63Å; F115-Y124 AromaticContact CZ-CE2 3.88Å; F115-Y124 HydrophobicContact CZ-CE2 3.88Å; F115-Y124 HydrophobicContact CZ-CG 4.16Å; F115-Y124 AromaticContact CZ-CZ 3.59Å; A120-Y124 HydrophobicContact CB-CE2 4.41Å; A120-Y124 WeakPolarHBondContact O-CD2 3.41Å; A120-Y124 PolarHBondContact O-N 2.9Å; G121-Y124 PolarHBondContact O-N 2.97Å; S122-Y124 PolarHBondContact O-N 3.49Å; Y124-C127 PolarHBondContact O-N 3.39Å; Y124-A128 VanDerWaalsContact O-CB 3.32Å; Y124-A128 WeakPolarHBondContact O-CB 3.33Å; Y124-A128 PolarHBondContact O-N 2.94Å; Y124-L196 HydrophobicContact CD1-CB 4.23Å; Y124-L196 HydrophobicContact CD1-CD1 4.39Å; Y124-L196 HydrophobicContact CD2-CB 4.31Å; Y124-L196 HydrophobicContact CE1-CB 4.46Å; Y124-L196 HydrophobicContact CE1-CD1 4.09Å; Y124-L196 HydrophobicContact CG-CB 4.17Å |
| 125 | K | 91.4 | Very high | 87.2 | Confident | 67 Ų | 67 | 54 Ų | 54 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.8 | -70.3 | 176.2 | -175.4 | 176.4 | 0 | 112.6 | G121 S122 V123 C127 A128 W129 D201 | G121-K125 WeakPolarHBondContact O-CG 3.42Å; G121-K125 PolarHBondContact O-N 3.02Å; G121-K125 VanDerWaalsContact O-N 3.17Å; S122-K125 PolarHBondContact O-N 2.7Å; V123-K125 PolarHBondContact O-N 3.19Å; K125-C127 VanDerWaalsContact C-N 3.35Å; K125-A128 WeakPolarHBondContact O-CB 3.41Å; K125-A128 PolarHBondContact O-N 3.29Å; K125-W129 PolarHBondContact O-N 2.92Å; K125-D201 WeakPolarHBondContact CE-OD2 3.5Å; K125-D201 IonicContact NZ-OD1 2.56Å; K125-D201 IonicContact NZ-OD2 3.58Å; K125-D201 PolarHBondContact NZ-OD2 3.18Å |
| 126 | I | 92.1 | Very high | 88.6 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 176.2 | -69.2 | 164.6 | 0 | 0 | 0 | 109.6 | S122 V123 A128 W129 M130 | S122-I126 VanDerWaalsContact O-CG1 3.28Å; S122-I126 WeakPolarHBondContact O-CG1 3.49Å; S122-I126 PolarHBondContact O-N 3.26Å; V123-I126 PolarHBondContact O-N 2.87Å; I126-A128 VanDerWaalsContact C-N 3.29Å; I126-A128 PolarHBondContact O-N 3.14Å; I126-W129 PolarHBondContact O-N 3.43Å; I126-M130 HydrophobicContact CG2-CG 4.47Å; I126-M130 HydrophobicContact CG2-SD 3.95Å; I126-M130 WeakPolarHBondContact O-CG 3.47Å; I126-M130 PolarHBondContact O-N 3.17Å |
| 127 | C | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | W26 V123 Y124 K125 W129 M130 Q131 | W26-C127 HydrophobicContact CH2-CB 3.53Å; W26-C127 HydrophobicContact CZ2-CB 4.11Å; V123-C127 PolarHBondContact O-N 3.4Å; V123-C127 PolarHBondContact O-SG 3.12Å; Y124-C127 PolarHBondContact O-N 3.39Å; K125-C127 VanDerWaalsContact C-N 3.35Å; C127-W129 PolarHBondContact O-N 3.08Å; C127-M130 PolarHBondContact O-N 3.33Å; C127-Q131 WeakPolarHBondContact O-CB 3.45Å; C127-Q131 WeakPolarHBondContact O-CG 3.48Å; C127-Q131 PolarHBondContact O-N 3.31Å |
| 128 | A | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y124 K125 I126 Q131 L132 S190 A193 F194 | Y124-A128 VanDerWaalsContact O-CB 3.32Å; Y124-A128 WeakPolarHBondContact O-CB 3.33Å; Y124-A128 PolarHBondContact O-N 2.94Å; K125-A128 WeakPolarHBondContact O-CB 3.41Å; K125-A128 PolarHBondContact O-N 3.29Å; I126-A128 VanDerWaalsContact C-N 3.29Å; I126-A128 PolarHBondContact O-N 3.14Å; A128-Q131 PolarHBondContact O-N 3.43Å; A128-L132 PolarHBondContact O-N 3.19Å; A128-S190 PolarHBondContact O-OG 3.43Å; A128-A193 HydrophobicContact CB-CB 3.55Å; A128-F194 HydrophobicContact CB-CB 4.48Å; A128-F194 HydrophobicContact CB-CD1 3.93Å; A128-F194 HydrophobicContact CB-CD2 3.5Å; A128-F194 VanDerWaalsContact CB-CD2 3.5Å; A128-F194 HydrophobicContact CB-CE1 3.94Å; A128-F194 HydrophobicContact CB-CE2 3.48Å; A128-F194 VanDerWaalsContact CB-CE2 3.48Å; A128-F194 HydrophobicContact CB-CG 3.71Å; A128-F194 HydrophobicContact CB-CZ 3.71Å |
| 129 | W | 95.5 | Very high | 92.6 | Very high | 164 Ų | 164 | 38.9 Ų | 38.9 | 62% | 0.621 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -64.7 | -40.4 | 174.7 | -77.1 | 113.8 | 0 | 0 | 0 | 112.6 | K125 I126 C127 Q131 L132 A133 F194 | K125-W129 PolarHBondContact O-N 2.92Å; I126-W129 PolarHBondContact O-N 3.43Å; C127-W129 PolarHBondContact O-N 3.08Å; W129-Q131 VanDerWaalsContact C-N 3.32Å; W129-Q131 PolarHBondContact O-N 2.9Å; W129-L132 HydrophobicContact CE3-CD1 4.03Å; W129-L132 HydrophobicContact CZ3-CD1 4.04Å; W129-L132 PolarHBondContact O-N 2.94Å; W129-A133 WeakPolarHBondContact O-CB 3.46Å; W129-A133 PolarHBondContact O-N 2.98Å; W129-F194 AromaticContact CD1-CZ 3.97Å; W129-F194 HydrophobicContact CD2-CE1 4.49Å; W129-F194 AromaticContact CD2-CZ 3.77Å; W129-F194 HydrophobicContact CD2-CZ 3.77Å; W129-F194 AromaticContact CE2-CE1 3.95Å; W129-F194 AromaticContact CE2-CZ 3.61Å; W129-F194 HydrophobicContact CE3-CZ 4.35Å; W129-F194 AromaticContact CG-CZ 4Å; W129-F194 HydrophobicContact CG-CZ 4Å; W129-F194 HydrophobicContact CZ2-CE1 4.37Å; W129-F194 HydrophobicContact CZ2-CZ 4.06Å; W129-F194 AromaticContact NE1-CE1 3.69Å; W129-F194 AromaticContact NE1-CZ 3.73Å |
| 130 | M | 95.3 | Very high | 93.4 | Very high | 39 Ų | 39 | 38.1 Ų | 38.1 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 175.1 | -68.5 | 174.2 | 74.7 | 0 | 0 | 111.8 | L104 I126 C127 A133 S134 | L104-M130 HydrophobicContact CD2-CE 4.39Å; L104-M130 WeakPolarHBondContact O-CE 3.39Å; I126-M130 HydrophobicContact CG2-CG 4.47Å; I126-M130 HydrophobicContact CG2-SD 3.95Å; I126-M130 WeakPolarHBondContact O-CG 3.47Å; I126-M130 PolarHBondContact O-N 3.17Å; C127-M130 PolarHBondContact O-N 3.33Å; M130-A133 PolarHBondContact O-N 3.09Å; M130-S134 WeakPolarHBondContact O-CB 3.38Å; M130-S134 PolarHBondContact O-N 3.38Å |
| 131 | Q | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -35.4 | 176.1 | -71.5 | 174.9 | -3 | 0 | 0 | 112.4 | T30 C127 A128 W129 S134 S135 S186 L189 S190 | T30-Q131 PolarHBondContact OG1-NE2 3.36Å; C127-Q131 WeakPolarHBondContact O-CB 3.45Å; C127-Q131 WeakPolarHBondContact O-CG 3.48Å; C127-Q131 PolarHBondContact O-N 3.31Å; A128-Q131 PolarHBondContact O-N 3.43Å; W129-Q131 VanDerWaalsContact C-N 3.32Å; W129-Q131 PolarHBondContact O-N 2.9Å; Q131-S134 PolarHBondContact O-N 2.78Å; Q131-S135 PolarHBondContact O-N 3.27Å; Q131-S186 PolarHBondContact O-OG 2.81Å; Q131-L189 VanDerWaalsContact OE1-CB 3.31Å; Q131-L189 PolarHBondContact OE1-O 3.12Å; Q131-S190 VanDerWaalsContact OE1-N 3.14Å |
| 132 | L | 96.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 170.4 | -72.3 | -172.5 | 0 | 0 | 0 | 112.1 | A128 W129 S134 S135 T136 L187 S190 F194 | A128-L132 PolarHBondContact O-N 3.19Å; W129-L132 HydrophobicContact CE3-CD1 4.03Å; W129-L132 HydrophobicContact CZ3-CD1 4.04Å; W129-L132 PolarHBondContact O-N 2.94Å; L132-S134 VanDerWaalsContact C-N 3.3Å; L132-S134 PolarHBondContact O-N 2.79Å; L132-S135 WeakPolarHBondContact O-CB 3.28Å; L132-S135 PolarHBondContact O-N 3.22Å; L132-T136 PolarHBondContact O-N 3.43Å; L132-T136 PolarHBondContact O-OG1 2.88Å; L132-L187 HydrophobicContact CD2-CD2 3.98Å; L132-S190 WeakPolarHBondContact CD2-OG 3.37Å; L132-S190 WeakPolarHBondContact CG-OG 2.89Å; L132-F194 HydrophobicContact CD1-CE2 3.64Å; L132-F194 HydrophobicContact CD1-CZ 4.2Å; L132-F194 HydrophobicContact CG-CE2 4.1Å |
| 133 | A | 97.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | L104 W129 M130 S135 T136 C137 | L104-A133 HydrophobicContact CD1-CB 3.81Å; W129-A133 WeakPolarHBondContact O-CB 3.46Å; W129-A133 PolarHBondContact O-N 2.98Å; M130-A133 PolarHBondContact O-N 3.09Å; A133-S135 PolarHBondContact O-N 3.24Å; A133-T136 WeakPolarHBondContact O-CB 3.49Å; A133-T136 PolarHBondContact O-N 3.32Å; A133-C137 PolarHBondContact O-N 3.35Å; A133-C137 PolarHBondContact O-SG 2.88Å; A133-C137 VanDerWaalsContact O-SG 3.35Å |
| 134 | S | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 175 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | S101 V105 M130 Q131 L132 T136 C137 M138 | S101-S134 WeakPolarHBondContact CA-OG 3.45Å; S101-S134 WeakPolarHBondContact CB-O 3.3Å; S101-S134 WeakPolarHBondContact CB-OG 3.05Å; S101-S134 PolarHBondContact O-OG 3.01Å; S101-S134 PolarHBondContact OG-O 2.97Å; S101-S134 PolarHBondContact OG-OG 3.06Å; V105-S134 VanDerWaalsContact CG2-OG 3.22Å; V105-S134 WeakPolarHBondContact CG2-OG 3.47Å; M130-S134 WeakPolarHBondContact O-CB 3.38Å; M130-S134 PolarHBondContact O-N 3.38Å; Q131-S134 PolarHBondContact O-N 2.78Å; L132-S134 VanDerWaalsContact C-N 3.3Å; L132-S134 PolarHBondContact O-N 2.79Å; S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 2.98Å; S134-C137 PolarHBondContact O-N 3.47Å; S134-M138 PolarHBondContact O-N 3.33Å |
| 135 | S | 97.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.2 | -43 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | Q131 L132 A133 M138 V139 I183 | Q131-S135 PolarHBondContact O-N 3.27Å; L132-S135 WeakPolarHBondContact O-CB 3.28Å; L132-S135 PolarHBondContact O-N 3.22Å; A133-S135 PolarHBondContact O-N 3.24Å; S135-M138 PolarHBondContact O-N 3.44Å; S135-V139 VanDerWaalsContact O-CG2 3.27Å; S135-V139 WeakPolarHBondContact O-CG2 3.26Å; S135-V139 PolarHBondContact O-N 2.9Å; S135-I183 WeakPolarHBondContact OG-CG2 3.33Å; S135-I183 PolarHBondContact OG-O 3.47Å |
| 136 | T | 97.8 | Very high | 96.4 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65 | -45.8 | 179.9 | -55.1 | 0 | 0 | 0 | 0 | 111 | L132 A133 S134 M138 V139 I140 | L132-T136 PolarHBondContact O-N 3.43Å; L132-T136 PolarHBondContact O-OG1 2.88Å; A133-T136 WeakPolarHBondContact O-CB 3.49Å; A133-T136 PolarHBondContact O-N 3.32Å; S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 2.98Å; T136-M138 PolarHBondContact O-N 3.24Å; T136-V139 PolarHBondContact O-N 3.33Å; T136-I140 HydrophobicContact CG2-CD1 4.09Å; T136-I140 VanDerWaalsContact O-CG1 3.31Å; T136-I140 WeakPolarHBondContact O-CG1 3.15Å; T136-I140 PolarHBondContact O-N 3.46Å |
| 137 | C | 97.9 | Very high | 96.6 | Very high | 19 Ų | 19 | 35 Ų | 35 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 175.4 | -68 | 0 | 0 | 0 | 0 | 111.9 | F97 A133 S134 I140 G141 | F97-C137 HydrophobicContact CD1-CB 4.36Å; F97-C137 WeakPolarHBondContact O-CB 3.31Å; A133-C137 PolarHBondContact O-N 3.35Å; A133-C137 PolarHBondContact O-SG 2.88Å; A133-C137 VanDerWaalsContact O-SG 3.35Å; S134-C137 PolarHBondContact O-N 3.47Å; C137-I140 PolarHBondContact O-N 3.47Å; C137-G141 PolarHBondContact O-N 2.87Å |
| 138 | M | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.2 | -173.6 | 63.1 | 74.1 | 0 | 0 | 112.1 | V37 V40 V98 S134 S135 T136 G141 C142 A179 I183 | V37-M138 HydrophobicContact CG1-CE 3.88Å; V37-M138 HydrophobicContact CG2-CE 4.5Å; V40-M138 HydrophobicContact CG1-CE 4.49Å; V98-M138 HydrophobicContact CG1-CE 3.87Å; V98-M138 HydrophobicContact CG1-SD 4.03Å; V98-M138 HydrophobicContact CG2-SD 4.08Å; S134-M138 PolarHBondContact O-N 3.33Å; S135-M138 PolarHBondContact O-N 3.44Å; T136-M138 PolarHBondContact O-N 3.24Å; M138-G141 PolarHBondContact O-N 2.93Å; M138-C142 WeakPolarHBondContact O-CB 3.42Å; M138-C142 PolarHBondContact O-N 2.94Å; M138-C142 PolarHBondContact O-SG 3.06Å; M138-A179 HydrophobicContact SD-CB 4.04Å; M138-I183 HydrophobicContact CB-CG1 4.03Å; M138-I183 HydrophobicContact CG-CD1 4.26Å; M138-I183 HydrophobicContact CG-CG1 3.62Å |
| 139 | V | 98.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 35.8 Ų | 35.8 | 37% | 0.37 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.3 | -50.8 | 174 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | S135 T136 G141 C142 M143 I183 | S135-V139 VanDerWaalsContact O-CG2 3.27Å; S135-V139 WeakPolarHBondContact O-CG2 3.26Å; S135-V139 PolarHBondContact O-N 2.9Å; T136-V139 PolarHBondContact O-N 3.33Å; V139-G141 VanDerWaalsContact C-N 3.33Å; V139-G141 PolarHBondContact O-N 3.05Å; V139-C142 PolarHBondContact O-N 3.19Å; V139-M143 HydrophobicContact CG1-CG 4.45Å; V139-M143 WeakPolarHBondContact O-CG 3.49Å; V139-M143 PolarHBondContact O-N 2.78Å; V139-I183 HydrophobicContact CB-CD1 4.44Å; V139-I183 HydrophobicContact CG2-CB 4.42Å; V139-I183 HydrophobicContact CG2-CD1 3.72Å; V139-I183 HydrophobicContact CG2-CG1 4.03Å; V139-I183 HydrophobicContact CG2-CG2 3.49Å; V139-I183 VanDerWaalsContact CG2-CG2 3.49Å |
| 140 | I | 97.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 30.1 Ų | 30.1 | 30% | 0.303 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 179.7 | -66.2 | 166.6 | 0 | 0 | 0 | 110.2 | F97 T136 C137 C142 M143 I144 | F97-I140 HydrophobicContact CD1-CB 4.28Å; F97-I140 HydrophobicContact CD1-CD1 4.44Å; F97-I140 HydrophobicContact CD1-CG2 3.98Å; F97-I140 HydrophobicContact CD2-CG2 3.64Å; F97-I140 HydrophobicContact CE1-CD1 4.16Å; F97-I140 HydrophobicContact CE1-CG2 4.02Å; F97-I140 HydrophobicContact CE2-CG2 3.69Å; F97-I140 HydrophobicContact CG-CB 4.3Å; F97-I140 HydrophobicContact CG-CG2 3.8Å; F97-I140 HydrophobicContact CZ-CG2 3.88Å; T136-I140 HydrophobicContact CG2-CD1 4.09Å; T136-I140 VanDerWaalsContact O-CG1 3.31Å; T136-I140 WeakPolarHBondContact O-CG1 3.15Å; T136-I140 PolarHBondContact O-N 3.46Å; C137-I140 PolarHBondContact O-N 3.47Å; I140-C142 PolarHBondContact O-N 3.06Å; I140-M143 PolarHBondContact O-N 3.02Å; I140-I144 HydrophobicContact CG2-CD1 3.53Å; I140-I144 HydrophobicContact CG2-CG1 4.26Å; I140-I144 WeakPolarHBondContact O-CB 3.31Å; I140-I144 VanDerWaalsContact O-CG1 3.28Å; I140-I144 WeakPolarHBondContact O-CG1 3.16Å; I140-I144 PolarHBondContact O-N 3.45Å |
| 141 | G | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C137 M138 V139 M143 I144 Y145 | C137-G141 PolarHBondContact O-N 2.87Å; M138-G141 PolarHBondContact O-N 2.93Å; V139-G141 VanDerWaalsContact C-N 3.33Å; V139-G141 PolarHBondContact O-N 3.05Å; G141-M143 VanDerWaalsContact C-N 3.34Å; G141-M143 PolarHBondContact O-N 2.55Å; G141-I144 PolarHBondContact O-N 3.35Å; G141-Y145 WeakPolarHBondContact O-CB 3Å; G141-Y145 PolarHBondContact O-N 2.99Å |
| 142 | C | 97.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.054 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.4 | -32.2 | 178.4 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | M138 V139 I140 P146 Y176 | M138-C142 WeakPolarHBondContact O-CB 3.42Å; M138-C142 PolarHBondContact O-N 2.94Å; M138-C142 PolarHBondContact O-SG 3.06Å; V139-C142 PolarHBondContact O-N 3.19Å; I140-C142 PolarHBondContact O-N 3.06Å; C142-P146 WeakPolarHBondContact O-CD 3.23Å; C142-Y176 HydrophobicContact CB-CE2 4.22Å; C142-Y176 PolarHBondContact O-OH 2.88Å |
| 143 | M | 97.3 | Very high | 96.2 | Very high | 110 Ų | 110 | 37 Ų | 37 | 54% | 0.542 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -75.4 | -39.1 | 175.8 | -71.1 | -66.2 | -65 | 0 | 0 | 112.1 | V139 I140 G141 P146 Y165 | V139-M143 HydrophobicContact CG1-CG 4.45Å; V139-M143 WeakPolarHBondContact O-CG 3.49Å; V139-M143 PolarHBondContact O-N 2.78Å; I140-M143 PolarHBondContact O-N 3.02Å; G141-M143 VanDerWaalsContact C-N 3.34Å; G141-M143 PolarHBondContact O-N 2.55Å; M143-P146 WeakPolarHBondContact O-CD 3.41Å; M143-Y165 PolarHBondContact O-OH 3.41Å |
| 144 | I | 97.3 | Very high | 96 | Very high | 34 Ų | 34 | 35 Ų | 35 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.6 | -31.3 | 179.1 | -67.2 | 173.5 | 0 | 0 | 0 | 111.4 | A90 T93 A94 F97 I140 G141 D147 | A90-I144 HydrophobicContact CB-CG2 4.05Å; A90-I144 VanDerWaalsContact O-CG2 3.28Å; A90-I144 WeakPolarHBondContact O-CG2 3.39Å; T93-I144 HydrophobicContact CG2-CD1 3.74Å; T93-I144 HydrophobicContact CG2-CG2 4.41Å; A94-I144 HydrophobicContact CB-CB 4.39Å; A94-I144 HydrophobicContact CB-CG2 4.17Å; F97-I144 HydrophobicContact CD2-CD1 3.98Å; F97-I144 HydrophobicContact CE2-CD1 3.97Å; I140-I144 HydrophobicContact CG2-CD1 3.53Å; I140-I144 HydrophobicContact CG2-CG1 4.26Å; I140-I144 WeakPolarHBondContact O-CB 3.31Å; I140-I144 VanDerWaalsContact O-CG1 3.28Å; I140-I144 WeakPolarHBondContact O-CG1 3.16Å; I140-I144 PolarHBondContact O-N 3.45Å; G141-I144 PolarHBondContact O-N 3.35Å; I144-D147 WeakPolarHBondContact O-CB 3.43Å; I144-D147 PolarHBondContact O-N 2.02Å |
| 145 | Y | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -56 | -46.3 | -175.5 | -172.5 | -96.3 | 0 | 0 | 0 | 113.5 | W46 I47 F59 G60 L61 F91 A94 G141 D147 G148 W149 Y176 | W46-Y145 HydrophobicContact CB-CE1 3.85Å; W46-Y145 HydrophobicContact CB-CE2 4.44Å; W46-Y145 WeakPolarHBondContact CB-OH 3.39Å; W46-Y145 HydrophobicContact CD2-CE1 4.47Å; W46-Y145 HydrophobicContact CD2-CE2 4.28Å; W46-Y145 AromaticContact CE3-CD1 3.66Å; W46-Y145 HydrophobicContact CE3-CD1 3.66Å; W46-Y145 AromaticContact CE3-CD2 3.66Å; W46-Y145 HydrophobicContact CE3-CD2 3.66Å; W46-Y145 AromaticContact CE3-CE1 3.79Å; W46-Y145 HydrophobicContact CE3-CE1 3.79Å; W46-Y145 AromaticContact CE3-CE2 3.79Å; W46-Y145 HydrophobicContact CE3-CE2 3.79Å; W46-Y145 AromaticContact CE3-CG 3.59Å; W46-Y145 HydrophobicContact CE3-CG 3.59Å; W46-Y145 AromaticContact CE3-CZ 3.85Å; W46-Y145 HydrophobicContact CZ3-CD1 4.25Å; W46-Y145 AromaticContact CZ3-CD2 4Å; W46-Y145 HydrophobicContact CZ3-CD2 4Å; W46-Y145 AromaticContact CZ3-CG 3.84Å; W46-Y145 HydrophobicContact CZ3-CG 3.84Å; I47-Y145 HydrophobicContact CG1-CE1 4.49Å; I47-Y145 HydrophobicContact CG2-CE1 4.09Å; F59-Y145 PolarHBondContact O-OH 3.5Å; G60-Y145 WeakPolarHBondContact O-CE2 2.96Å; G60-Y145 PolarHBondContact O-OH 2.86Å; L61-Y145 HydrophobicContact CD2-CD2 3.88Å; L61-Y145 HydrophobicContact CD2-CE2 4.18Å; F91-Y145 AromaticContact CD1-CD2 3.65Å; F91-Y145 HydrophobicContact CD1-CD2 3.65Å; F91-Y145 AromaticContact CD1-CE2 3.61Å; F91-Y145 HydrophobicContact CD1-CE2 3.61Å; F91-Y145 HydrophobicContact CD1-CG 4.36Å; F91-Y145 HydrophobicContact CE1-CD1 4.41Å; F91-Y145 AromaticContact CE1-CD2 3.81Å; F91-Y145 HydrophobicContact CE1-CD2 3.81Å; F91-Y145 HydrophobicContact CE1-CE1 4.21Å; F91-Y145 AromaticContact CE1-CE2 3.58Å; F91-Y145 HydrophobicContact CE1-CE2 3.58Å; F91-Y145 HydrophobicContact CE1-CG 4.23Å; F91-Y145 AromaticContact CE1-CZ 3.79Å; F91-Y145 VanDerWaalsContact CE1-O 3.27Å; F91-Y145 WeakPolarHBondContact CE1-O 3.35Å; F91-Y145 HydrophobicContact CG-CE2 4.26Å; F91-Y145 HydrophobicContact CZ-CE2 4.24Å; A94-Y145 HydrophobicContact CB-CD2 4.31Å; G141-Y145 WeakPolarHBondContact O-CB 3Å; G141-Y145 PolarHBondContact O-N 2.99Å; Y145-D147 PolarHBondContact O-N 2.63Å; Y145-G148 PolarHBondContact O-N 2.99Å; Y145-W149 AromaticContact CD1-NE1 3.58Å; Y145-W149 AromaticContact CE1-NE1 3.56Å; Y145-Y176 HydrophobicContact CD1-CD2 4.4Å; Y145-Y176 HydrophobicContact CD1-CE2 4.18Å |
| 146 | P | 96.3 | Very high | 95.5 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -58.7 | -22.1 | 173.3 | -26.6 | 33.9 | 0 | 0 | 0 | 117 | C142 M143 G148 W149 Y165 | C142-P146 WeakPolarHBondContact O-CD 3.23Å; M143-P146 WeakPolarHBondContact O-CD 3.41Å; P146-G148 PolarHBondContact O-N 3.12Å; P146-W149 VanDerWaalsContact CA-CE2 3.49Å; P146-W149 HydrophobicContact CB-CD2 4.07Å; P146-W149 HydrophobicContact CB-CE3 4.15Å; P146-W149 HydrophobicContact CB-CH2 3.99Å; P146-W149 HydrophobicContact CB-CZ2 3.9Å; P146-W149 HydrophobicContact CB-CZ3 4.12Å; P146-W149 HydrophobicContact CG-CH2 4.08Å; P146-W149 HydrophobicContact CG-CZ2 3.84Å; P146-W149 PolarHBondContact O-N 3.02Å; P146-Y165 HydrophobicContact CB-CD1 3.49Å; P146-Y165 VanDerWaalsContact CB-CD1 3.49Å; P146-Y165 HydrophobicContact CB-CD2 4.38Å; P146-Y165 HydrophobicContact CB-CE1 3.68Å; P146-Y165 HydrophobicContact CB-CG 3.87Å; P146-Y165 HydrophobicContact CG-CD1 4.07Å; P146-Y165 HydrophobicContact CG-CE1 4.02Å; P146-Y165 PolarHBondContact O-N 3.26Å |
| 147 | D | 95.4 | Very high | 95.2 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -68.8 | -18.7 | 174.6 | -77.9 | -40.9 | 0 | 0 | 0 | 112.5 | A90 I144 Y145 Y165 | A90-D147 HydrophobicContact CB-CB 3.85Å; I144-D147 WeakPolarHBondContact O-CB 3.43Å; I144-D147 PolarHBondContact O-N 2.02Å; Y145-D147 PolarHBondContact O-N 2.63Å; D147-Y165 WeakPolarHBondContact OD1-CE2 3.28Å |
| 148 | G | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -88.1 | -2.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | S88 Y145 P146 D150 S151 | S88-G148 WeakPolarHBondContact OG-CA 3.49Å; Y145-G148 PolarHBondContact O-N 2.99Å; P146-G148 PolarHBondContact O-N 3.12Å; G148-D150 PolarHBondContact O-N 3.16Å; G148-S151 PolarHBondContact O-N 3.37Å; G148-S151 PolarHBondContact O-OG 2.9Å |
| 149 | W | 95.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -14.4 | -177.4 | -62.9 | -6.9 | 0 | 0 | 0 | 113.5 | I47 F91 Y145 P146 S151 V154 T162 L167 | I47-W149 HydrophobicContact CG2-CZ2 4.26Å; F91-W149 AromaticContact CE1-CD1 3.99Å; Y145-W149 AromaticContact CD1-NE1 3.58Å; Y145-W149 AromaticContact CE1-NE1 3.56Å; P146-W149 VanDerWaalsContact CA-CE2 3.49Å; P146-W149 HydrophobicContact CB-CD2 4.07Å; P146-W149 HydrophobicContact CB-CE3 4.15Å; P146-W149 HydrophobicContact CB-CH2 3.99Å; P146-W149 HydrophobicContact CB-CZ2 3.9Å; P146-W149 HydrophobicContact CB-CZ3 4.12Å; P146-W149 HydrophobicContact CG-CH2 4.08Å; P146-W149 HydrophobicContact CG-CZ2 3.84Å; P146-W149 PolarHBondContact O-N 3.02Å; W149-S151 VanDerWaalsContact C-N 3.27Å; W149-S151 PolarHBondContact O-N 2.85Å; W149-V154 HydrophobicContact CB-CG1 4.44Å; W149-V154 WeakPolarHBondContact O-CG1 3.34Å; W149-T162 HydrophobicContact CB-CG2 4.22Å; W149-T162 VanDerWaalsContact O-CG2 3.31Å; W149-T162 WeakPolarHBondContact O-CG2 3.45Å; W149-L167 HydrophobicContact CD2-CD1 3.21Å; W149-L167 VanDerWaalsContact CE2-CD1 3.42Å; W149-L167 HydrophobicContact CE3-CB 4.17Å; W149-L167 HydrophobicContact CE3-CD1 3.28Å; W149-L167 HydrophobicContact CE3-CG 4.33Å; W149-L167 HydrophobicContact CG-CD1 3.83Å; W149-L167 HydrophobicContact CH2-CB 4.49Å; W149-L167 HydrophobicContact CH2-CD1 3.77Å; W149-L167 HydrophobicContact CZ2-CD1 3.72Å; W149-L167 HydrophobicContact CZ3-CB 3.94Å; W149-L167 HydrophobicContact CZ3-CD1 3.56Å; W149-L167 HydrophobicContact CZ3-CG 4.31Å |
| 150 | D | 94.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 46 Ų | 46 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.3 | 177.4 | 71.7 | -20.6 | 0 | 0 | 0 | 114.3 | G148 K155 K164 | G148-D150 PolarHBondContact O-N 3.16Å; D150-K155 WeakPolarHBondContact O-CD 3.45Å; D150-K155 WeakPolarHBondContact O-CE 3.38Å; D150-K155 PolarHBondContact O-NZ 3Å; D150-K164 HydrophobicContact CB-CG 3.93Å; D150-K164 WeakPolarHBondContact OD2-CE 3.38Å; D150-K164 IonicContact OD2-NZ 3.85Å |
| 151 | S | 93.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -61.7 | 151.1 | 177.3 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | G148 W149 E153 V154 K155 | G148-S151 PolarHBondContact O-N 3.37Å; G148-S151 PolarHBondContact O-OG 2.9Å; W149-S151 VanDerWaalsContact C-N 3.27Å; W149-S151 PolarHBondContact O-N 2.85Å; S151-E153 VanDerWaalsContact C-N 3.26Å; S151-E153 PolarHBondContact O-N 3.04Å; S151-V154 PolarHBondContact O-N 2.9Å; S151-V154 WeakPolarHBondContact OG-CG2 3.36Å; S151-K155 WeakPolarHBondContact O-CB 3.37Å; S151-K155 PolarHBondContact O-N 3.03Å |
| 152 | E | 92.6 | Very high | 93.6 | Very high | 163 Ų | 163 | 54.6 Ų | 54.6 | 76% | 0.762 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -61.5 | -37 | -177.9 | -66.3 | -170.3 | 172.2 | 0 | 0 | 111.9 | K155 R156 | E152-K155 PolarHBondContact O-N 3.36Å; E152-R156 WeakPolarHBondContact O-CB 3.42Å; E152-R156 PolarHBondContact O-N 3.3Å |
| 153 | E | 91.9 | Very high | 93.4 | Very high | 61 Ų | 61 | 58.3 Ų | 58.3 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 177.8 | -65.6 | 80.2 | 177.9 | 0 | 0 | 111.4 | F59 Y64 I66 P87 S151 M157 | F59-E153 HydrophobicContact CE1-CB 4.03Å; F59-E153 HydrophobicContact CZ-CB 4.41Å; Y64-E153 HydrophobicContact CE2-CG 4.34Å; I66-E153 HydrophobicContact CD1-CB 4.2Å; P87-E153 HydrophobicContact CB-CB 4.02Å; P87-E153 VanDerWaalsContact CB-CD 3.4Å; P87-E153 HydrophobicContact CB-CG 3.9Å; P87-E153 WeakPolarHBondContact CB-OE2 3.1Å; S151-E153 VanDerWaalsContact C-N 3.26Å; S151-E153 PolarHBondContact O-N 3.04Å; E153-M157 PolarHBondContact O-N 2.81Å |
| 154 | V | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -45.2 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 110 | I47 F59 F91 W149 S151 R156 M157 C158 T162 | I47-V154 HydrophobicContact CD1-CG1 4.14Å; I47-V154 HydrophobicContact CD1-CG2 4.36Å; F59-V154 HydrophobicContact CD1-CG2 4.05Å; F59-V154 HydrophobicContact CD2-CG2 4.43Å; F59-V154 HydrophobicContact CE1-CG2 3.84Å; F59-V154 HydrophobicContact CE2-CG2 4.18Å; F59-V154 HydrophobicContact CG-CG2 4.37Å; F59-V154 HydrophobicContact CZ-CB 4.45Å; F59-V154 HydrophobicContact CZ-CG2 3.91Å; F91-V154 HydrophobicContact CE2-CG2 4.05Å; F91-V154 HydrophobicContact CZ-CG2 4.06Å; W149-V154 HydrophobicContact CB-CG1 4.44Å; W149-V154 WeakPolarHBondContact O-CG1 3.34Å; S151-V154 PolarHBondContact O-N 2.9Å; S151-V154 WeakPolarHBondContact OG-CG2 3.36Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 PolarHBondContact O-N 3.33Å; V154-M157 PolarHBondContact O-N 3.34Å; V154-M157 VanDerWaalsContact O-N 3.12Å; V154-C158 HydrophobicContact CG1-CB 4.28Å; V154-C158 VanDerWaalsContact O-CB 3.24Å; V154-C158 WeakPolarHBondContact O-CB 3.37Å; V154-C158 PolarHBondContact O-N 3.32Å; V154-C158 PolarHBondContact O-SG 2.98Å; V154-C158 VanDerWaalsContact O-SG 3.38Å; V154-T162 HydrophobicContact CG1-CG2 4.12Å |
| 155 | K | 93.4 | Very high | 92.9 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 175.6 | -78.1 | 173.5 | 173.7 | 155.3 | 0 | 113.1 | D150 S151 E152 M157 G159 T162 | D150-K155 WeakPolarHBondContact O-CD 3.45Å; D150-K155 WeakPolarHBondContact O-CE 3.38Å; D150-K155 PolarHBondContact O-NZ 3Å; S151-K155 WeakPolarHBondContact O-CB 3.37Å; S151-K155 PolarHBondContact O-N 3.03Å; E152-K155 PolarHBondContact O-N 3.36Å; K155-M157 VanDerWaalsContact C-N 3.25Å; K155-M157 PolarHBondContact O-N 3.49Å; K155-G159 CarbonylContact O-C 3.51Å; K155-G159 WeakPolarHBondContact O-CA 3.5Å; K155-G159 PolarHBondContact O-N 3.24Å; K155-T162 WeakPolarHBondContact CE-O 3.35Å |
| 156 | R | 90.6 | Very high | 92.8 | Very high | 173 Ų | 173 | 65.3 Ų | 65.3 | 65% | 0.653 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.6 | -36.1 | 176 | 179.1 | 177.5 | 174.5 | 155.1 | 1 | 111.7 | Q55 E152 V154 | Q55-R156 PolarHBondContact NE2-O 2.97Å; E152-R156 WeakPolarHBondContact O-CB 3.42Å; E152-R156 PolarHBondContact O-N 3.3Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 PolarHBondContact O-N 3.33Å |
| 157 | M | 90.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -90.5 | -46.4 | -178.6 | -171.8 | -177.1 | 145.3 | 0 | 0 | 113.1 | G48 D49 Q55 G57 F59 I66 E153 V154 K155 | G48-M157 VanDerWaalsContact C-CE 3.48Å; D49-M157 VanDerWaalsContact CA-CE 3.44Å; D49-M157 HydrophobicContact CB-CE 3.62Å; Q55-M157 HydrophobicContact CG-CG 4.09Å; G57-M157 VanDerWaalsContact CA-CE 3.5Å; G57-M157 WeakPolarHBondContact O-CE 3.49Å; F59-M157 HydrophobicContact CD2-SD 4.19Å; F59-M157 HydrophobicContact CE2-CB 4.21Å; F59-M157 HydrophobicContact CE2-CE 4.42Å; F59-M157 HydrophobicContact CE2-CG 4.46Å; F59-M157 HydrophobicContact CE2-SD 3.37Å; F59-M157 WeakPolarHBondContact CE2-SD 3.28Å; F59-M157 HydrophobicContact CZ-CB 4.38Å; F59-M157 HydrophobicContact CZ-SD 4.09Å; I66-M157 HydrophobicContact CG1-SD 4.47Å; E153-M157 PolarHBondContact O-N 2.81Å; V154-M157 PolarHBondContact O-N 3.34Å; V154-M157 VanDerWaalsContact O-N 3.12Å; K155-M157 VanDerWaalsContact C-N 3.25Å; K155-M157 PolarHBondContact O-N 3.49Å |
| 158 | C | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -88.9 | -7.4 | -173.9 | -53.5 | 0 | 0 | 0 | 0 | 113.3 | V154 T162 N169 C170 | V154-C158 HydrophobicContact CG1-CB 4.28Å; V154-C158 VanDerWaalsContact O-CB 3.24Å; V154-C158 WeakPolarHBondContact O-CB 3.37Å; V154-C158 PolarHBondContact O-N 3.32Å; V154-C158 PolarHBondContact O-SG 2.98Å; V154-C158 VanDerWaalsContact O-SG 3.38Å; C158-T162 HydrophobicContact CB-CG2 4.31Å; C158-T162 VanDerWaalsContact CB-OG1 3.28Å; C158-T162 WeakPolarHBondContact CB-OG1 3.39Å; C158-T162 PolarHBondContact O-OG1 2.77Å; C158-N169 WeakPolarHBondContact O-CB 3.4Å; C158-N169 PolarHBondContact O-N 3.34Å; C158-C170 WeakPolarHBondContact CA-SG 3.34Å; C158-C170 HydrophobicContact CB-CB 3.68Å; C158-C170 WeakPolarHBondContact CB-SG 3.04Å; C158-C170 WeakPolarHBondContact SG-CB 3.49Å; C158-C170 CovalentContact SG-SG 2.02Å; C158-C170 PolarHBondContact SG-SG 3.18Å |
| 159 | G | 91.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 69.5 Ų | 69.5 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | trans | 97.2 | 157.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K155 R161 T162 | K155-G159 CarbonylContact O-C 3.51Å; K155-G159 WeakPolarHBondContact O-CA 3.5Å; K155-G159 PolarHBondContact O-N 3.24Å; G159-R161 PolarHBondContact O-N 2.94Å; G159-T162 VanDerWaalsContact O-CB 3.29Å; G159-T162 WeakPolarHBondContact O-CB 3.48Å; G159-T162 PolarHBondContact O-N 3.42Å; G159-T162 PolarHBondContact O-OG1 2.93Å | ||
| 160 | Q | 91.4 | Very high | 92.1 | Very high | 153 Ų | 153 | 69 Ų | 69 | 72% | 0.715 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -14.9 | -174.3 | -64.1 | -59.5 | -40 | 0 | 0 | 114.5 | T162 | Q160-T162 PolarHBondContact O-N 3.49Š|
| 161 | R | 88.9 | Confident | 92.1 | Very high | 237 Ų | 237 | 70.1 Ų | 70.1 | 89% | 0.894 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.8 | 173.5 | -64.8 | -176.3 | -176.7 | 164.9 | 0.7 | 113.3 | G159 | G159-R161 PolarHBondContact O-N 2.94Š|
| 162 | T | 91.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | trans | -71.8 | 128.8 | 176.9 | -50.1 | 0 | 0 | 0 | 0 | 109.3 | W149 V154 K155 C158 G159 Q160 T166 G168 | W149-T162 HydrophobicContact CB-CG2 4.22Å; W149-T162 VanDerWaalsContact O-CG2 3.31Å; W149-T162 WeakPolarHBondContact O-CG2 3.45Å; V154-T162 HydrophobicContact CG1-CG2 4.12Å; K155-T162 WeakPolarHBondContact CE-O 3.35Å; C158-T162 HydrophobicContact CB-CG2 4.31Å; C158-T162 VanDerWaalsContact CB-OG1 3.28Å; C158-T162 WeakPolarHBondContact CB-OG1 3.39Å; C158-T162 PolarHBondContact O-OG1 2.77Å; G159-T162 VanDerWaalsContact O-CB 3.29Å; G159-T162 WeakPolarHBondContact O-CB 3.48Å; G159-T162 PolarHBondContact O-N 3.42Å; G159-T162 PolarHBondContact O-OG1 2.93Å; Q160-T162 PolarHBondContact O-N 3.49Å; T162-T166 WeakPolarHBondContact CA-O 3.35Å; T162-T166 WeakPolarHBondContact CG2-O 3.5Å; T162-G168 PolarHBondContact OG1-N 3.18Å | ||
| 163 | D | 93 | Very high | 92.4 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -139.2 | 178.9 | 175.5 | -158.2 | -1.9 | 0 | 0 | 0 | 109.3 | Y165 T166 | D163-Y165 PolarHBondContact O-N 3.35Å; D163-T166 VanDerWaalsContact C-OG1 3.31Å; D163-T166 WeakPolarHBondContact CA-OG1 3.31Å; D163-T166 VanDerWaalsContact CB-OG1 3.28Å; D163-T166 WeakPolarHBondContact CB-OG1 3.27Å; D163-T166 PolarHBondContact N-O 3.15Å; D163-T166 PolarHBondContact N-OG1 3.2Å; D163-T166 VanDerWaalsContact N-OG1 3.15Å; D163-T166 CarbonylContact O-C 2.96Å; D163-T166 PolarHBondContact O-N 3.47Å; D163-T166 VanDerWaalsContact O-O 3.09Å; D163-T166 PolarHBondContact O-OG1 3.31Å; D163-T166 VanDerWaalsContact O-OG1 3.12Å |
| 164 | K | 92.4 | Very high | 92.6 | Very high | 103 Ų | 103 | 69.8 Ų | 69.8 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 131.5 | 177.3 | -58.2 | -176 | -178.2 | 179.9 | 0 | 110.4 | D150 T166 | D150-K164 HydrophobicContact CB-CG 3.93Å; D150-K164 WeakPolarHBondContact OD2-CE 3.38Å; D150-K164 IonicContact OD2-NZ 3.85Å; K164-T166 PolarHBondContact O-N 3.12Å |
| 165 | Y | 92.4 | Very high | 92.8 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 6.1 | -175.4 | -62.1 | -93.9 | 0 | 0 | 0 | 116.4 | M143 P146 D147 D163 | M143-Y165 PolarHBondContact O-OH 3.41Å; P146-Y165 HydrophobicContact CB-CD1 3.49Å; P146-Y165 VanDerWaalsContact CB-CD1 3.49Å; P146-Y165 HydrophobicContact CB-CD2 4.38Å; P146-Y165 HydrophobicContact CB-CE1 3.68Å; P146-Y165 HydrophobicContact CB-CG 3.87Å; P146-Y165 HydrophobicContact CG-CD1 4.07Å; P146-Y165 HydrophobicContact CG-CE1 4.02Å; P146-Y165 PolarHBondContact O-N 3.26Å; D147-Y165 WeakPolarHBondContact OD1-CE2 3.28Å; D163-Y165 PolarHBondContact O-N 3.35Å |
| 166 | T | 93.6 | Very high | 92.9 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 44% | 0.442 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -123 | 95.5 | 178.2 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | T162 D163 K164 G168 | T162-T166 WeakPolarHBondContact CA-O 3.35Å; T162-T166 WeakPolarHBondContact CG2-O 3.5Å; D163-T166 VanDerWaalsContact C-OG1 3.31Å; D163-T166 WeakPolarHBondContact CA-OG1 3.31Å; D163-T166 VanDerWaalsContact CB-OG1 3.28Å; D163-T166 WeakPolarHBondContact CB-OG1 3.27Å; D163-T166 PolarHBondContact N-O 3.15Å; D163-T166 PolarHBondContact N-OG1 3.2Å; D163-T166 VanDerWaalsContact N-OG1 3.15Å; D163-T166 CarbonylContact O-C 2.96Å; D163-T166 PolarHBondContact O-N 3.47Å; D163-T166 VanDerWaalsContact O-O 3.09Å; D163-T166 PolarHBondContact O-OG1 3.31Å; D163-T166 VanDerWaalsContact O-OG1 3.12Å; K164-T166 PolarHBondContact O-N 3.12Å; T166-G168 PolarHBondContact O-N 3.4Å |
| 167 | L | 87.8 | Confident | 93.2 | Very high | 40 Ų | 40 | 64.8 Ų | 64.8 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | trans | -72 | 118.2 | 174.1 | -135.6 | 72.4 | 0 | 0 | 0 | 107.9 | I47 W149 C170 V172 | I47-L167 HydrophobicContact CD1-CD1 4.38Å; I47-L167 HydrophobicContact CG2-CD1 4.06Å; I47-L167 HydrophobicContact CG2-CD2 4.08Å; W149-L167 HydrophobicContact CD2-CD1 3.21Å; W149-L167 VanDerWaalsContact CE2-CD1 3.42Å; W149-L167 HydrophobicContact CE3-CB 4.17Å; W149-L167 HydrophobicContact CE3-CD1 3.28Å; W149-L167 HydrophobicContact CE3-CG 4.33Å; W149-L167 HydrophobicContact CG-CD1 3.83Å; W149-L167 HydrophobicContact CH2-CB 4.49Å; W149-L167 HydrophobicContact CH2-CD1 3.77Å; W149-L167 HydrophobicContact CZ2-CD1 3.72Å; W149-L167 HydrophobicContact CZ3-CB 3.94Å; W149-L167 HydrophobicContact CZ3-CD1 3.56Å; W149-L167 HydrophobicContact CZ3-CG 4.31Å; L167-C170 HydrophobicContact CD2-CB 4.06Å; L167-C170 WeakPolarHBondContact CD2-O 3.32Å; L167-C170 HydrophobicContact CG-CB 4.04Å; L167-V172 HydrophobicContact CD2-CG2 4.15Å | ||
| 168 | G | 91.3 | Very high | 93.5 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | trans | -69.3 | -108.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T162 T166 C170 | T162-G168 PolarHBondContact OG1-N 3.18Å; T166-G168 PolarHBondContact O-N 3.4Å; G168-C170 VanDerWaalsContact C-N 3.32Å | ||
| 169 | N | 93.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 67.3 Ų | 67.3 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -83.1 | -8.2 | 178.7 | -67 | -4.6 | 0 | 0 | 0 | 113.1 | S50 N52 T53 C158 | S50-N169 VanDerWaalsContact CB-O 3.31Å; S50-N169 WeakPolarHBondContact CB-O 3.36Å; S50-N169 PolarHBondContact OG-O 3.11Å; N52-N169 HydrophobicContact CB-CB 4.12Å; N52-N169 PolarHBondContact O-ND2 3.04Å; N52-N169 VanDerWaalsContact O-ND2 3.12Å; T53-N169 HydrophobicContact CG2-CB 3.86Å; T53-N169 WeakPolarHBondContact CG2-O 3.35Å; C158-N169 WeakPolarHBondContact O-CB 3.4Å; C158-N169 PolarHBondContact O-N 3.34Å |
| 170 | C | 94.2 | Very high | 94 | Very high | 8 Ų | 8 | 70.2 Ų | 70.2 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | trans | -80.5 | 165.7 | 178.7 | -74.9 | 0 | 0 | 0 | 0 | 112.5 | G48 C158 L167 G168 | G48-C170 WeakPolarHBondContact O-CA 3.27Å; G48-C170 VanDerWaalsContact O-CB 3.23Å; G48-C170 WeakPolarHBondContact O-CB 3.25Å; C158-C170 WeakPolarHBondContact CA-SG 3.34Å; C158-C170 HydrophobicContact CB-CB 3.68Å; C158-C170 WeakPolarHBondContact CB-SG 3.04Å; C158-C170 WeakPolarHBondContact SG-CB 3.49Å; C158-C170 CovalentContact SG-SG 2.02Å; C158-C170 PolarHBondContact SG-SG 3.18Å; L167-C170 HydrophobicContact CD2-CB 4.06Å; L167-C170 WeakPolarHBondContact CD2-O 3.32Å; L167-C170 HydrophobicContact CG-CB 4.04Å; G168-C170 VanDerWaalsContact C-N 3.32Å | ||
| 171 | T | 94.9 | Very high | 94.2 | Very high | 67 Ų | 67 | 67.6 Ų | 67.6 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150 | 175.8 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | I47 G48 D49 | I47-T171 WeakPolarHBondContact CA-O 3.25Å; G48-T171 PolarHBondContact N-O 3.43Å; G48-T171 PolarHBondContact O-N 2.99Å; D49-T171 PolarHBondContact O-OG1 3.06Å |
| 172 | V | 95.8 | Very high | 94.5 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 38% | 0.376 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140 | 169 | 174 | 0 | 0 | 0 | 0 | 109.7 | L167 Y176 I177 | L167-V172 HydrophobicContact CD2-CG2 4.15Å; V172-Y176 HydrophobicContact CG1-CD1 3.58Å; V172-Y176 HydrophobicContact CG1-CG 4.18Å; V172-Y176 HydrophobicContact CG2-CD1 4.43Å; V172-I177 HydrophobicContact CG1-CG1 4.19Å |
| 173 | R | 96.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | trans | -112 | 170.2 | 179.7 | -71.9 | -173.5 | 179 | -125.1 | -8.4 | 111.6 | Y45 W46 G48 D49 A175 Y176 I177 | Y45-R173 CarbonylContact O-C 3.46Å; Y45-R173 WeakPolarHBondContact O-CB 3.05Å; W46-R173 PolarHBondContact O-N 2.91Å; G48-R173 VanDerWaalsContact CA-NE 3.33Å; D49-R173 VanDerWaalsContact CG-NH2 3.31Å; D49-R173 PolarHBondContact O-NH2 3.12Å; D49-R173 IonicContact OD1-CZ 3.77Å; D49-R173 IonicContact OD1-NH2 3.95Å; D49-R173 PolarHBondContact OD1-NH2 3.14Å; D49-R173 IonicContact OD2-NH2 2.63Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 3.31Å; R173-Y176 PolarHBondContact O-N 3.5Å; R173-I177 PolarHBondContact O-N 3.36Å | ||
| 174 | W | 96.6 | Very high | 94.9 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.2 | -31.4 | -169.5 | 60.9 | -95.8 | 0 | 0 | 0 | 114.4 | V39 Q43 Y45 Y176 I177 L178 | V39-W174 HydrophobicContact CG1-CH2 3.88Å; V39-W174 HydrophobicContact CG1-CZ3 3.84Å; Q43-W174 HydrophobicContact CB-CH2 3.75Å; Q43-W174 HydrophobicContact CB-CZ2 4.12Å; Q43-W174 HydrophobicContact CG-CH2 3.72Å; Q43-W174 HydrophobicContact CG-CZ2 4.29Å; Y45-W174 AromaticContact CD2-CE2 3.98Å; Y45-W174 AromaticContact CD2-CZ2 3.6Å; Y45-W174 HydrophobicContact CD2-CZ2 3.6Å; Y45-W174 AromaticContact CD2-NE1 3.9Å; Y45-W174 HydrophobicContact CE2-CZ2 4.45Å; Y45-W174 HydrophobicContact CG-CZ2 4.18Å; Y45-W174 AromaticContact CG-NE1 3.67Å; W174-Y176 VanDerWaalsContact C-N 3.34Å; W174-Y176 PolarHBondContact O-N 2.93Å; W174-I177 PolarHBondContact O-N 2.87Å; W174-L178 HydrophobicContact CE3-CD1 3.57Å; W174-L178 HydrophobicContact CE3-CG 4.33Å; W174-L178 HydrophobicContact CZ3-CD1 3.7Å; W174-L178 WeakPolarHBondContact O-CG 3.37Å; W174-L178 PolarHBondContact O-N 3Å |
| 175 | A | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.9 | -36.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y45 W46 R173 L178 A179 | Y45-A175 WeakPolarHBondContact O-CB 3.44Å; Y45-A175 PolarHBondContact O-N 3.4Å; W46-A175 HydrophobicContact CG-CB 4.42Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 3.31Å; A175-L178 PolarHBondContact O-N 3.34Å; A175-A179 PolarHBondContact O-N 2.75Å |
| 176 | Y | 96.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 174.8 | -169.5 | -115.7 | 0 | 0 | 0 | 111.9 | W46 C142 Y145 V172 R173 W174 A179 I180 | W46-Y176 HydrophobicContact CD2-CD2 4.18Å; W46-Y176 AromaticContact CE3-CD2 3.32Å; W46-Y176 HydrophobicContact CE3-CD2 3.32Å; W46-Y176 AromaticContact CE3-CE2 3.97Å; W46-Y176 HydrophobicContact CE3-CE2 3.97Å; W46-Y176 HydrophobicContact CE3-CG 4.29Å; W46-Y176 HydrophobicContact CH2-CD2 4.36Å; W46-Y176 AromaticContact CZ3-CD2 3.44Å; W46-Y176 HydrophobicContact CZ3-CD2 3.44Å; W46-Y176 VanDerWaalsContact CZ3-CD2 3.44Å; W46-Y176 AromaticContact CZ3-CE2 3.78Å; W46-Y176 HydrophobicContact CZ3-CE2 3.78Å; C142-Y176 HydrophobicContact CB-CE2 4.22Å; C142-Y176 PolarHBondContact O-OH 2.88Å; Y145-Y176 HydrophobicContact CD1-CD2 4.4Å; Y145-Y176 HydrophobicContact CD1-CE2 4.18Å; V172-Y176 HydrophobicContact CG1-CD1 3.58Å; V172-Y176 HydrophobicContact CG1-CG 4.18Å; V172-Y176 HydrophobicContact CG2-CD1 4.43Å; R173-Y176 PolarHBondContact O-N 3.5Å; W174-Y176 VanDerWaalsContact C-N 3.34Å; W174-Y176 PolarHBondContact O-N 2.93Å; Y176-A179 WeakPolarHBondContact O-CB 3.45Å; Y176-A179 PolarHBondContact O-N 3.25Å; Y176-I180 HydrophobicContact CD1-CD1 4.11Å; Y176-I180 HydrophobicContact CE1-CD1 3.94Å; Y176-I180 WeakPolarHBondContact O-CG1 3.41Å; Y176-I180 PolarHBondContact O-N 2.83Å; Y176-I180 VanDerWaalsContact O-N 3.1Å |
| 177 | I | 96.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 46% | 0.462 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 174.7 | -57.6 | 172.5 | 0 | 0 | 0 | 110.2 | V172 R173 W174 A179 I180 I181 | V172-I177 HydrophobicContact CG1-CG1 4.19Å; R173-I177 PolarHBondContact O-N 3.36Å; W174-I177 PolarHBondContact O-N 2.87Å; I177-A179 VanDerWaalsContact C-N 3.3Å; I177-A179 PolarHBondContact O-N 3.44Å; I177-I180 PolarHBondContact O-N 3.37Å; I177-I181 HydrophobicContact CG2-CD1 3.99Å; I177-I181 WeakPolarHBondContact O-CG1 3.39Å; I177-I181 PolarHBondContact O-N 2.77Å |
| 178 | L | 96.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 174.4 | -71.6 | -177.1 | 0 | 0 | 0 | 111.9 | V40 W174 A175 I180 I181 S182 | V40-L178 HydrophobicContact CG2-CB 3.59Å; W174-L178 HydrophobicContact CE3-CD1 3.57Å; W174-L178 HydrophobicContact CE3-CG 4.33Å; W174-L178 HydrophobicContact CZ3-CD1 3.7Å; W174-L178 WeakPolarHBondContact O-CG 3.37Å; W174-L178 PolarHBondContact O-N 3Å; A175-L178 PolarHBondContact O-N 3.34Å; L178-I180 VanDerWaalsContact C-N 3.32Å; L178-I180 PolarHBondContact O-N 2.9Å; L178-I181 PolarHBondContact O-N 3.18Å; L178-S182 VanDerWaalsContact O-CB 3.25Å; L178-S182 WeakPolarHBondContact O-CB 3.32Å; L178-S182 PolarHBondContact O-N 3.22Å |
| 179 | A | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V40 W46 M138 A175 Y176 I177 S182 I183 | V40-A179 HydrophobicContact CG1-CB 3.68Å; W46-A179 HydrophobicContact CH2-CB 4Å; W46-A179 HydrophobicContact CZ2-CB 4.19Å; M138-A179 HydrophobicContact SD-CB 4.04Å; A175-A179 PolarHBondContact O-N 2.75Å; Y176-A179 WeakPolarHBondContact O-CB 3.45Å; Y176-A179 PolarHBondContact O-N 3.25Å; I177-A179 VanDerWaalsContact C-N 3.3Å; I177-A179 PolarHBondContact O-N 3.44Å; A179-S182 WeakPolarHBondContact O-CB 3.24Å; A179-S182 PolarHBondContact O-N 3.06Å; A179-S182 PolarHBondContact O-OG 2.87Å; A179-I183 PolarHBondContact O-N 3.38Å |
| 180 | I | 95.9 | Very high | 95.8 | Very high | 84 Ų | 84 | 48.6 Ų | 48.6 | 43% | 0.431 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -45.2 | 177.3 | -64.1 | 166.4 | 0 | 0 | 0 | 111.5 | Y176 I177 L178 S182 I183 | Y176-I180 HydrophobicContact CD1-CD1 4.11Å; Y176-I180 HydrophobicContact CE1-CD1 3.94Å; Y176-I180 WeakPolarHBondContact O-CG1 3.41Å; Y176-I180 PolarHBondContact O-N 2.83Å; Y176-I180 VanDerWaalsContact O-N 3.1Å; I177-I180 PolarHBondContact O-N 3.37Å; L178-I180 VanDerWaalsContact C-N 3.32Å; L178-I180 PolarHBondContact O-N 2.9Å; I180-S182 PolarHBondContact O-N 3.41Å; I180-I183 WeakPolarHBondContact O-CB 3.26Å; I180-I183 PolarHBondContact O-N 2.89Å |
| 181 | I | 96.1 | Very high | 95.8 | Very high | 98 Ų | 98 | 55.2 Ų | 55.2 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 176.7 | -66.4 | 168.3 | 0 | 0 | 0 | 110.6 | I177 L178 I183 M184 D185 | I177-I181 HydrophobicContact CG2-CD1 3.99Å; I177-I181 WeakPolarHBondContact O-CG1 3.39Å; I177-I181 PolarHBondContact O-N 2.77Å; L178-I181 PolarHBondContact O-N 3.18Å; I181-I183 PolarHBondContact O-N 3.17Å; I181-M184 PolarHBondContact O-N 3.35Å; I181-M184 VanDerWaalsContact O-N 3.11Å; I181-D185 PolarHBondContact O-N 2.91Å; I181-D185 VanDerWaalsContact O-N 3.12Å |
| 182 | S | 95.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -28.1 | -179 | 81 | 0 | 0 | 0 | 0 | 113 | F33 L178 A179 I180 S186 | F33-S182 WeakPolarHBondContact CE2-O 3.29Å; F33-S182 WeakPolarHBondContact CZ-O 3.17Å; L178-S182 VanDerWaalsContact O-CB 3.25Å; L178-S182 WeakPolarHBondContact O-CB 3.32Å; L178-S182 PolarHBondContact O-N 3.22Å; A179-S182 WeakPolarHBondContact O-CB 3.24Å; A179-S182 PolarHBondContact O-N 3.06Å; A179-S182 PolarHBondContact O-OG 2.87Å; I180-S182 PolarHBondContact O-N 3.41Å; S182-S186 VanDerWaalsContact O-CB 3.28Å; S182-S186 WeakPolarHBondContact O-CB 3.24Å; S182-S186 PolarHBondContact O-N 3.29Å |
| 183 | I | 96.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | 175.5 | -61.1 | 164.3 | 0 | 0 | 0 | 109.9 | S135 M138 V139 A179 I180 I181 S186 L187 | S135-I183 WeakPolarHBondContact OG-CG2 3.33Å; S135-I183 PolarHBondContact OG-O 3.47Å; M138-I183 HydrophobicContact CB-CG1 4.03Å; M138-I183 HydrophobicContact CG-CD1 4.26Å; M138-I183 HydrophobicContact CG-CG1 3.62Å; V139-I183 HydrophobicContact CB-CD1 4.44Å; V139-I183 HydrophobicContact CG2-CB 4.42Å; V139-I183 HydrophobicContact CG2-CD1 3.72Å; V139-I183 HydrophobicContact CG2-CG1 4.03Å; V139-I183 HydrophobicContact CG2-CG2 3.49Å; V139-I183 VanDerWaalsContact CG2-CG2 3.49Å; A179-I183 PolarHBondContact O-N 3.38Å; I180-I183 WeakPolarHBondContact O-CB 3.26Å; I180-I183 PolarHBondContact O-N 2.89Å; I181-I183 PolarHBondContact O-N 3.17Å; I183-S186 PolarHBondContact O-N 3.23Å; I183-L187 WeakPolarHBondContact O-CG 3.18Å; I183-L187 PolarHBondContact O-N 2.89Å; I183-L187 VanDerWaalsContact O-N 3.11Å |
| 184 | M | 95.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 51.3 Ų | 51.3 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 179.9 | -65.1 | -61.7 | 98.5 | 0 | 0 | 111.5 | I181 S186 L187 I188 | I181-M184 PolarHBondContact O-N 3.35Å; I181-M184 VanDerWaalsContact O-N 3.11Å; M184-S186 PolarHBondContact O-N 3.47Å; M184-L187 HydrophobicContact CE-CD1 3.75Å; M184-L187 PolarHBondContact O-N 2.83Å; M184-I188 WeakPolarHBondContact O-CG1 3.41Å; M184-I188 PolarHBondContact O-N 3.42Å |
| 185 | D | 94.4 | Very high | 95.2 | Very high | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.3 | -166.5 | 64.4 | 0 | 0 | 0 | 111.6 | F33 I181 L187 I188 L189 | F33-D185 HydrophobicContact CD2-CB 4.11Å; F33-D185 WeakPolarHBondContact CD2-OD2 3.46Å; F33-D185 HydrophobicContact CE2-CB 4Å; F33-D185 WeakPolarHBondContact CG-OD2 3.35Å; I181-D185 PolarHBondContact O-N 2.91Å; I181-D185 VanDerWaalsContact O-N 3.12Å; D185-L187 VanDerWaalsContact C-N 3.32Å; D185-L187 PolarHBondContact O-N 3.44Å; D185-I188 PolarHBondContact O-N 3.33Å; D185-L189 WeakPolarHBondContact O-CB 2.92Å; D185-L189 WeakPolarHBondContact O-CG 3.18Å; D185-L189 PolarHBondContact O-N 3.35Å |
| 186 | S | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -39 | 176.7 | -161.7 | 0 | 0 | 0 | 0 | 112.8 | Q131 S182 I183 M184 S190 | Q131-S186 PolarHBondContact O-OG 2.81Å; S182-S186 VanDerWaalsContact O-CB 3.28Å; S182-S186 WeakPolarHBondContact O-CB 3.24Å; S182-S186 PolarHBondContact O-N 3.29Å; I183-S186 PolarHBondContact O-N 3.23Å; M184-S186 PolarHBondContact O-N 3.47Å; S186-S190 VanDerWaalsContact O-CB 3.29Å; S186-S190 WeakPolarHBondContact O-CB 3.43Å; S186-S190 PolarHBondContact O-N 3.18Å |
| 187 | L | 95.3 | Very high | 94.4 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 176.5 | -69.6 | 175.4 | 0 | 0 | 0 | 111.9 | L132 I183 M184 D185 S190 F191 | L132-L187 HydrophobicContact CD2-CD2 3.98Å; I183-L187 WeakPolarHBondContact O-CG 3.18Å; I183-L187 PolarHBondContact O-N 2.89Å; I183-L187 VanDerWaalsContact O-N 3.11Å; M184-L187 HydrophobicContact CE-CD1 3.75Å; M184-L187 PolarHBondContact O-N 2.83Å; D185-L187 VanDerWaalsContact C-N 3.32Å; D185-L187 PolarHBondContact O-N 3.44Å; L187-S190 PolarHBondContact O-N 3.3Å; L187-F191 WeakPolarHBondContact O-CB 3.39Å; L187-F191 PolarHBondContact O-N 3.15Å |
| 188 | I | 95.1 | Very high | 94 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64 | -47.6 | 177.6 | -67.1 | 165.9 | 0 | 0 | 0 | 110.1 | M184 D185 S190 F191 L192 | M184-I188 WeakPolarHBondContact O-CG1 3.41Å; M184-I188 PolarHBondContact O-N 3.42Å; D185-I188 PolarHBondContact O-N 3.33Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.24Å; I188-F191 PolarHBondContact O-N 2.89Å; I188-L192 HydrophobicContact CG2-CD1 4.1Å; I188-L192 WeakPolarHBondContact O-CG 3.38Å; I188-L192 PolarHBondContact O-N 3.48Å |
| 189 | L | 94.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.5 | -71.4 | 176.9 | 0 | 0 | 0 | 111.6 | W26 F29 F33 Q131 D185 L192 A193 | W26-L189 PolarHBondContact NE1-O 3.25Å; F29-L189 HydrophobicContact CB-CD2 3.73Å; F33-L189 HydrophobicContact CB-CD1 3.83Å; F33-L189 HydrophobicContact CD1-CD1 3.95Å; F33-L189 HydrophobicContact CG-CD1 3.91Å; Q131-L189 VanDerWaalsContact OE1-CB 3.31Å; Q131-L189 PolarHBondContact OE1-O 3.12Å; D185-L189 WeakPolarHBondContact O-CB 2.92Å; D185-L189 WeakPolarHBondContact O-CG 3.18Å; D185-L189 PolarHBondContact O-N 3.35Å; L189-L192 PolarHBondContact O-N 2.95Å; L189-A193 WeakPolarHBondContact O-CB 3.28Å; L189-A193 PolarHBondContact O-N 2.04Å |
| 190 | S | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | A128 Q131 L132 S186 L187 I188 L192 A193 F194 | A128-S190 PolarHBondContact O-OG 3.43Å; Q131-S190 VanDerWaalsContact OE1-N 3.14Å; L132-S190 WeakPolarHBondContact CD2-OG 3.37Å; L132-S190 WeakPolarHBondContact CG-OG 2.89Å; S186-S190 VanDerWaalsContact O-CB 3.29Å; S186-S190 WeakPolarHBondContact O-CB 3.43Å; S186-S190 PolarHBondContact O-N 3.18Å; L187-S190 PolarHBondContact O-N 3.3Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 3.24Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 2.76Å; S190-A193 WeakPolarHBondContact O-CB 3.4Å; S190-A193 PolarHBondContact O-N 3.42Å; S190-A193 VanDerWaalsContact O-N 3.17Å; S190-F194 VanDerWaalsContact O-CD2 3.32Å; S190-F194 WeakPolarHBondContact O-CD2 3.1Å; S190-F194 PolarHBondContact O-N 3.38Å |
| 191 | F | 94.7 | Very high | 91.9 | Very high | 148 Ų | 148 | 50 Ų | 50 | 65% | 0.649 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.8 | -42.2 | 177.2 | -179.3 | -101.4 | 0 | 0 | 0 | 112 | L187 I188 A193 F194 S195 | L187-F191 WeakPolarHBondContact O-CB 3.39Å; L187-F191 PolarHBondContact O-N 3.15Å; I188-F191 PolarHBondContact O-N 2.89Å; F191-A193 VanDerWaalsContact C-N 3.33Å; F191-A193 PolarHBondContact O-N 3.36Å; F191-F194 PolarHBondContact O-N 3.11Å; F191-S195 WeakPolarHBondContact O-CB 3.1Å; F191-S195 PolarHBondContact O-N 3.04Å |
| 192 | L | 92.9 | Very high | 91 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 30% | 0.298 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 173.8 | -72 | 173.1 | 0 | 0 | 0 | 111.4 | I188 L189 S190 S195 L196 | I188-L192 HydrophobicContact CG2-CD1 4.1Å; I188-L192 WeakPolarHBondContact O-CG 3.38Å; I188-L192 PolarHBondContact O-N 3.48Å; L189-L192 PolarHBondContact O-N 2.95Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 2.76Å; L192-S195 WeakPolarHBondContact O-CB 3.11Å; L192-S195 PolarHBondContact O-N 2.91Å; L192-L196 WeakPolarHBondContact O-CB 3.04Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.07Å |
| 193 | A | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W26 A128 L189 S190 F191 L196 G197 | W26-A193 HydrophobicContact CH2-CB 4.19Å; W26-A193 HydrophobicContact CZ2-CB 3.49Å; W26-A193 VanDerWaalsContact CZ2-CB 3.49Å; A128-A193 HydrophobicContact CB-CB 3.55Å; L189-A193 WeakPolarHBondContact O-CB 3.28Å; L189-A193 PolarHBondContact O-N 2.04Å; S190-A193 WeakPolarHBondContact O-CB 3.4Å; S190-A193 PolarHBondContact O-N 3.42Å; S190-A193 VanDerWaalsContact O-N 3.17Å; F191-A193 VanDerWaalsContact C-N 3.33Å; F191-A193 PolarHBondContact O-N 3.36Å; A193-L196 PolarHBondContact O-N 2.81Å; A193-G197 PolarHBondContact O-N 3.12Å |
| 194 | F | 93.8 | Very high | 87.9 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 172.7 | -84.3 | -63.8 | 0 | 0 | 0 | 112.1 | A128 W129 L132 S190 F191 L196 G197 N198 | A128-F194 HydrophobicContact CB-CB 4.48Å; A128-F194 HydrophobicContact CB-CD1 3.93Å; A128-F194 HydrophobicContact CB-CD2 3.5Å; A128-F194 VanDerWaalsContact CB-CD2 3.5Å; A128-F194 HydrophobicContact CB-CE1 3.94Å; A128-F194 HydrophobicContact CB-CE2 3.48Å; A128-F194 VanDerWaalsContact CB-CE2 3.48Å; A128-F194 HydrophobicContact CB-CG 3.71Å; A128-F194 HydrophobicContact CB-CZ 3.71Å; W129-F194 AromaticContact CD1-CZ 3.97Å; W129-F194 HydrophobicContact CD2-CE1 4.49Å; W129-F194 AromaticContact CD2-CZ 3.77Å; W129-F194 HydrophobicContact CD2-CZ 3.77Å; W129-F194 AromaticContact CE2-CE1 3.95Å; W129-F194 AromaticContact CE2-CZ 3.61Å; W129-F194 HydrophobicContact CE3-CZ 4.35Å; W129-F194 AromaticContact CG-CZ 4Å; W129-F194 HydrophobicContact CG-CZ 4Å; W129-F194 HydrophobicContact CZ2-CE1 4.37Å; W129-F194 HydrophobicContact CZ2-CZ 4.06Å; W129-F194 AromaticContact NE1-CE1 3.69Å; W129-F194 AromaticContact NE1-CZ 3.73Å; L132-F194 HydrophobicContact CD1-CE2 3.64Å; L132-F194 HydrophobicContact CD1-CZ 4.2Å; L132-F194 HydrophobicContact CG-CE2 4.1Å; S190-F194 VanDerWaalsContact O-CD2 3.32Å; S190-F194 WeakPolarHBondContact O-CD2 3.1Å; S190-F194 PolarHBondContact O-N 3.38Å; F191-F194 PolarHBondContact O-N 3.11Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 PolarHBondContact O-N 3.24Å; F194-G197 PolarHBondContact O-N 2.91Å; F194-N198 WeakPolarHBondContact O-CB 3.27Å; F194-N198 PolarHBondContact O-N 2.86Å; F194-N198 PolarHBondContact O-ND2 2.91Å |
| 195 | S | 91.4 | Very high | 85.8 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 177 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | F191 L192 R199 | F191-S195 WeakPolarHBondContact O-CB 3.1Å; F191-S195 PolarHBondContact O-N 3.04Å; L192-S195 WeakPolarHBondContact O-CB 3.11Å; L192-S195 PolarHBondContact O-N 2.91Å; S195-R199 WeakPolarHBondContact O-CB 3.41Å; S195-R199 WeakPolarHBondContact O-CG 3.18Å; S195-R199 PolarHBondContact O-N 3.35Å |
| 196 | L | 88.6 | Confident | 83.8 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.1 | -73.4 | 172.2 | 0 | 0 | 0 | 112.6 | V22 W26 Y124 L192 A193 F194 R199 Q200 | V22-L196 HydrophobicContact CB-CD2 4.02Å; V22-L196 HydrophobicContact CG1-CD1 4.22Å; V22-L196 HydrophobicContact CG1-CD2 3.79Å; V22-L196 HydrophobicContact CG1-CG 4.27Å; W26-L196 HydrophobicContact CB-CD1 4.12Å; W26-L196 HydrophobicContact CG-CD1 4.31Å; Y124-L196 HydrophobicContact CD1-CB 4.23Å; Y124-L196 HydrophobicContact CD1-CD1 4.39Å; Y124-L196 HydrophobicContact CD2-CB 4.31Å; Y124-L196 HydrophobicContact CE1-CB 4.46Å; Y124-L196 HydrophobicContact CE1-CD1 4.09Å; Y124-L196 HydrophobicContact CG-CB 4.17Å; L192-L196 WeakPolarHBondContact O-CB 3.04Å; L192-L196 WeakPolarHBondContact O-CG 3.44Å; L192-L196 PolarHBondContact O-N 3.07Å; A193-L196 PolarHBondContact O-N 2.81Å; F194-L196 VanDerWaalsContact C-N 3.34Å; F194-L196 PolarHBondContact O-N 3.24Å; L196-R199 PolarHBondContact O-N 3.34Å; L196-Q200 WeakPolarHBondContact O-CB 3.08Å; L196-Q200 PolarHBondContact O-N 3.47Å |
| 197 | G | 88.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A193 F194 R199 Q200 D201 | A193-G197 PolarHBondContact O-N 3.12Å; F194-G197 PolarHBondContact O-N 2.91Å; G197-R199 VanDerWaalsContact C-N 3.33Å; G197-R199 PolarHBondContact O-N 3.35Å; G197-Q200 WeakPolarHBondContact O-CB 3.48Å; G197-Q200 PolarHBondContact O-N 3.12Å; G197-Q200 VanDerWaalsContact O-N 3.15Å; G197-D201 PolarHBondContact O-N 3.33Å; G197-D201 VanDerWaalsContact O-N 3.11Å |
| 198 | N | 87.8 | Confident | 79 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 178.7 | -67.2 | -14.4 | 0 | 0 | 0 | 112.2 | F194 Q200 D201 Q202 | F194-N198 WeakPolarHBondContact O-CB 3.27Å; F194-N198 PolarHBondContact O-N 2.86Å; F194-N198 PolarHBondContact O-ND2 2.91Å; N198-Q200 VanDerWaalsContact C-N 3.33Å; N198-D201 PolarHBondContact O-N 3.23Å; N198-Q202 WeakPolarHBondContact O-CG 3.28Å; N198-Q202 PolarHBondContact O-N 3.19Å |
| 199 | R | 84.9 | Confident | 76.5 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 174.5 | -74.3 | -176.9 | -171.7 | -165.2 | 2.2 | 112.5 | Y15 S195 L196 G197 L203 | Y15-R199 VanDerWaalsContact OH-CB 3.29Å; Y15-R199 WeakPolarHBondContact OH-CB 3.14Å; Y15-R199 WeakPolarHBondContact OH-CD 3.08Å; Y15-R199 WeakPolarHBondContact OH-CG 3.29Å; S195-R199 WeakPolarHBondContact O-CB 3.41Å; S195-R199 WeakPolarHBondContact O-CG 3.18Å; S195-R199 PolarHBondContact O-N 3.35Å; L196-R199 PolarHBondContact O-N 3.34Å; G197-R199 VanDerWaalsContact C-N 3.33Å; G197-R199 PolarHBondContact O-N 3.35Å; R199-L203 WeakPolarHBondContact O-CG 3.43Å; R199-L203 PolarHBondContact O-N 2.9Å |
| 200 | Q | 80.9 | Confident | 74.1 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.9 | -36.2 | 178 | -170.1 | 64.5 | 24.2 | 0 | 0 | 111.6 | A120 L196 G197 N198 L203 L204 | A120-Q200 HydrophobicContact CB-CG 4.1Å; L196-Q200 WeakPolarHBondContact O-CB 3.08Å; L196-Q200 PolarHBondContact O-N 3.47Å; G197-Q200 WeakPolarHBondContact O-CB 3.48Å; G197-Q200 PolarHBondContact O-N 3.12Å; G197-Q200 VanDerWaalsContact O-N 3.15Å; N198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-L203 PolarHBondContact O-N 2.98Å; Q200-L204 HydrophobicContact CG-CD1 4.5Å; Q200-L204 PolarHBondContact O-N 3.43Å |
| 201 | D | 81 | Confident | 71.3 | Confident | 55 Ų | 55 | 88.4 Ų | 88.4 | 29% | 0.294 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 173.7 | -60.9 | -26.9 | 0 | 0 | 0 | 111.6 | K125 G197 N198 L203 L204 | K125-D201 WeakPolarHBondContact CE-OD2 3.5Å; K125-D201 IonicContact NZ-OD1 2.56Å; K125-D201 IonicContact NZ-OD2 3.58Å; K125-D201 PolarHBondContact NZ-OD2 3.18Å; G197-D201 PolarHBondContact O-N 3.33Å; G197-D201 VanDerWaalsContact O-N 3.11Å; N198-D201 PolarHBondContact O-N 3.23Å; D201-L203 PolarHBondContact O-N 2.83Å; D201-L203 VanDerWaalsContact O-N 3.16Å; D201-L204 PolarHBondContact O-N 3.44Å; D201-L204 VanDerWaalsContact O-N 3.15Å |
| 202 | Q | 75.8 | Confident | 69 | Low | 152 Ų | 152 | 83.8 Ų | 83.8 | 71% | 0.71 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.1 | -20.5 | 176.5 | -70.7 | 178.8 | -7.5 | 0 | 0 | 113.6 | N198 | N198-Q202 WeakPolarHBondContact O-CG 3.28Å; N198-Q202 PolarHBondContact O-N 3.19Å |
| 203 | L | 66.9 | Low | 66.4 | Low | 27 Ų | 27 | 90.8 Ų | 90.8 | 14% | 0.141 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -91.5 | -14.3 | 178.5 | -72.2 | 169.2 | 0 | 0 | 0 | 114 | H12 Y15 V16 R199 Q200 D201 P205 | H12-L203 WeakPolarHBondContact NE2-CD2 3.17Å; Y15-L203 HydrophobicContact CD1-CD1 3.77Å; Y15-L203 HydrophobicContact CD1-CD2 3.52Å; Y15-L203 HydrophobicContact CD1-CG 3.95Å; Y15-L203 HydrophobicContact CE1-CD1 3.54Å; Y15-L203 HydrophobicContact CE1-CD2 3.65Å; Y15-L203 HydrophobicContact CE1-CG 3.62Å; V16-L203 HydrophobicContact CG2-CD1 4.02Å; V16-L203 HydrophobicContact CG2-CD2 3.98Å; R199-L203 WeakPolarHBondContact O-CG 3.43Å; R199-L203 PolarHBondContact O-N 2.9Å; Q200-L203 PolarHBondContact O-N 2.98Å; D201-L203 PolarHBondContact O-N 2.83Å; D201-L203 VanDerWaalsContact O-N 3.16Å; L203-P205 VanDerWaalsContact C-CD 3.4Å; L203-P205 WeakPolarHBondContact O-CD 3.49Å |
| 204 | L | 60.3 | Low | 64 | Low | 61 Ų | 61 | 99.5 Ų | 99.5 | 32% | 0.319 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -97.9 | 84.6 | 172.8 | -74.2 | 157.1 | 0 | 0 | 0 | 107.1 | N119 Q200 D201 | N119-L204 WeakPolarHBondContact ND2-CD1 3.43Å; N119-L204 WeakPolarHBondContact OD1-CD1 3.37Å; Q200-L204 HydrophobicContact CG-CD1 4.5Å; Q200-L204 PolarHBondContact O-N 3.43Å; D201-L204 PolarHBondContact O-N 3.44Å; D201-L204 VanDerWaalsContact O-N 3.15Å |
| 205 | P | 51.4 | Low | 61.3 | Low | 82 Ų | 82 | 106.6 Ų | 106.6 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | trans | -57.7 | 145.9 | 171.5 | 24.7 | -32.3 | 0 | 0 | 0 | 109.3 | L203 N207 F208 | L203-P205 VanDerWaalsContact C-CD 3.4Å; L203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-N207 PolarHBondContact O-N 3.11Å; P205-F208 PolarHBondContact O-N 2.64Å; P205-F208 VanDerWaalsContact O-N 3.14Å | ||
| 206 | D | 52.9 | Low | 58.9 | Low | 154 Ų | 154 | 112.4 Ų | 112.4 | 82% | 0.824 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -9.8 | -175.6 | -67.8 | -49.5 | 0 | 0 | 0 | 115.4 | F208 | D206-F208 PolarHBondContact O-N 3.32Š|
| 207 | N | 44.7 | Very low | 56.6 | Low | 152 Ų | 152 | 122.1 Ų | 122.1 | 81% | 0.813 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 2 | 175.7 | -63.9 | -19.3 | 0 | 0 | 0 | 114.7 | P205 | P205-N207 PolarHBondContact O-N 3.11Š|
| 208 | F | 45.1 | Very low | 54.5 | Low | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | trans | -100.2 | 40.6 | 169.1 | -110.1 | -87.5 | 0 | 0 | 0 | 111.3 | P205 D206 V210 | P205-F208 PolarHBondContact O-N 2.64Å; P205-F208 VanDerWaalsContact O-N 3.14Å; D206-F208 PolarHBondContact O-N 3.32Å; F208-V210 PolarHBondContact O-N 3.23Å | ||
| 209 | Q | 41.5 | Very low | 52.2 | Low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -65.9 | 124.5 | 149.9 | -69.5 | -166.5 | 0.1 | 0 | 0 | 106.6 | D211 | Q209-D211 PolarHBondContact O-N 3.1Š|
| 210 | V | 44.6 | Very low | 49.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | trans | -56.7 | 104.4 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 106.7 | F208 G212 | F208-V210 PolarHBondContact O-N 3.23Å; V210-G212 PolarHBondContact O-N 2.75Å | ||
| 211 | D | 38.4 | Very low | 48.3 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -56.2 | 95.4 | 166.9 | -111.1 | -25.3 | 0 | 0 | 0 | 107.1 | Q209 | Q209-D211 PolarHBondContact O-N 3.1Š| ||
| 212 | G | 45.1 | Very low | 46.6 | Very low | 52 Ų | 52 | 149.4 Ų | 149.4 | 54% | 0.536 | 78% | 0.777 | S | S | . | * | trans | -167.9 | 44.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V210 | V210-G212 PolarHBondContact O-N 2.75Š| ||
| 213 | K | 38.3 | Very low | 44.9 | Very low | 203 Ų | 203 | 149.2 Ų | 149.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 172.5 | 64.1 | 152.7 | -97.1 | 170.5 | -173.5 | -173.9 | 0 | 111.2 | ||
| 214 | E | 41.9 | Very low | 43.7 | Very low | 183 Ų | 183 | 156.4 Ų | 156.4 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -160.3 | 54.2 | 162.6 | -125.4 | 170.6 | -152.6 | 0 | 0 | 113.3 | ||||
| 215 | K | 37.8 | Very low | 42.6 | Very low | 196 Ų | 196 | 162.4 Ų | 162.4 | 85% | 0.852 | 85% | 0.85 | S | S | * | * | trans | -145 | 100.9 | 154.9 | -71.8 | -165.1 | 178.9 | 179 | 0 | 108.1 | ||||
| 216 | D | 40.7 | Very low | 42 | Very low | 158 Ų | 158 | 167.7 Ų | 167.7 | 85% | 0.845 | 87% | 0.871 | S | S | * | * | S | Bend | trans | 160.8 | 76.7 | 147 | -79.5 | -10.5 | 0 | 0 | 0 | 107.9 | ||
| 217 | K | 41.2 | Very low | 41.2 | Very low | 212 Ų | 212 | 168.7 Ų | 168.7 | 92% | 0.922 | 87% | 0.874 | S | S | * | * | S | Bend | trans | -173.3 | 49.7 | 154.8 | -106.1 | 173 | -166.7 | -169.6 | 0 | 112.2 | ||
| 218 | E | 43.7 | Very low | 41 | Very low | 187 Ų | 187 | 170 Ų | 170 | 87% | 0.874 | 88% | 0.879 | S | S | * | * | S | Bend | trans | -153.1 | 96.2 | 154.6 | -147.5 | 153.3 | -175.3 | 0 | 0 | 107.8 | ||
| 219 | E | 38.8 | Very low | 40.6 | Very low | 200 Ų | 200 | 170.1 Ų | 170.1 | 94% | 0.935 | 89% | 0.89 | S | S | * | * | trans | 154.1 | 84.7 | 157.1 | -86.1 | 176.5 | -178.3 | 0 | 0 | 109.6 | ||||
| 220 | A | 35.8 | Very low | 40.6 | Very low | 181 Ų | 181 | 170.2 Ų | 170.2 | 100% | 1.496 | 90% | 0.899 | S | S | * | * | trans | 175.2 | 0 | 142.2 | 0 | 0 | 0 | 0 | 0 | 110 |
Retrieved 220 of 220 residues in 96.7 ms
(Link to these results)