| 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 | 47.1 | Very low | 56.6 | Low | 234 Ų | 234 | 94.5 Ų | 94.5 | 100% | 1.153 | 51% | 0.506 | S | S | * | . | 0 | 123 | 0 | -75.2 | 176.4 | -179.6 | 0 | 0 | 106.6 | |||||
| 2 | G | 54.9 | Low | 56.6 | Low | 43 Ų | 43 | 89.8 Ų | 89.8 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | trans | -60.1 | 147.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | T | 68.6 | Low | 56.6 | Low | 73 Ų | 73 | 91.3 Ų | 91.3 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | trans | -62.2 | 159.6 | 177.1 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | N5 D6 R7 | T3-N5 PolarHBondContact O-N 2.66Å; T3-N5 VanDerWaalsContact O-N 3.14Å; T3-D6 WeakPolarHBondContact CB-OD2 3.41Å; T3-D6 PolarHBondContact N-OD2 3.01Å; T3-D6 PolarHBondContact O-N 3.36Å; T3-D6 PolarHBondContact OG1-N 3.48Å; T3-D6 PolarHBondContact OG1-OD2 3.14Å; T3-R7 PolarHBondContact O-N 3.28Å; T3-R7 VanDerWaalsContact O-N 3.12Å | ||
| 4 | P | 51.4 | Low | 56.4 | Low | 96 Ų | 96 | 95.5 Ų | 95.5 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -52.3 | -34.8 | 174.5 | -26.5 | 35.1 | 0 | 0 | 0 | 112.5 | R7 A8 | P4-R7 PolarHBondContact O-N 3.31Å; P4-A8 PolarHBondContact O-N 3.5Å |
| 5 | N | 49 | Very low | 55.9 | Low | 91 Ų | 91 | 94.9 Ų | 94.9 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 176.5 | -160.4 | 29.7 | 0 | 0 | 0 | 112.3 | T3 R7 A8 V9 | T3-N5 PolarHBondContact O-N 2.66Å; T3-N5 VanDerWaalsContact O-N 3.14Å; N5-R7 VanDerWaalsContact C-N 3.3Å; N5-R7 PolarHBondContact O-N 3.28Å; N5-A8 PolarHBondContact O-N 2.9Å; N5-V9 WeakPolarHBondContact O-CG2 3.39Å; N5-V9 PolarHBondContact O-N 2.88Å |
| 6 | D | 58.4 | Low | 55.7 | Low | 77 Ų | 77 | 93.8 Ų | 93.8 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 177.2 | -57.9 | -41.4 | 0 | 0 | 0 | 111.7 | T3 L10 | T3-D6 WeakPolarHBondContact CB-OD2 3.41Å; T3-D6 PolarHBondContact N-OD2 3.01Å; T3-D6 PolarHBondContact O-N 3.36Å; T3-D6 PolarHBondContact OG1-N 3.48Å; T3-D6 PolarHBondContact OG1-OD2 3.14Å; D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 WeakPolarHBondContact O-CD1 3.14Å; D6-L10 WeakPolarHBondContact O-CG 3.47Å; D6-L10 PolarHBondContact O-N 3.08Å |
| 7 | R | 61.1 | Low | 55.3 | Low | 168 Ų | 168 | 97.1 Ų | 97.1 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 176.3 | -79.7 | 178.7 | 150.5 | 167.1 | -6.7 | 112.2 | T3 P4 N5 L10 Q11 | T3-R7 PolarHBondContact O-N 3.28Å; T3-R7 VanDerWaalsContact O-N 3.12Å; P4-R7 PolarHBondContact O-N 3.31Å; N5-R7 VanDerWaalsContact C-N 3.3Å; N5-R7 PolarHBondContact O-N 3.28Å; R7-L10 PolarHBondContact O-N 3.1Å; R7-Q11 WeakPolarHBondContact O-CB 3.45Å; R7-Q11 PolarHBondContact O-N 2.92Å |
| 8 | A | 55.1 | Low | 55.2 | Low | 3 Ų | 3 | 93.7 Ų | 93.7 | 3% | 0.025 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P4 N5 Q11 A12 I23 L26 | P4-A8 PolarHBondContact O-N 3.5Å; N5-A8 PolarHBondContact O-N 2.9Å; A8-Q11 PolarHBondContact O-N 3.4Å; A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 2.89Å; A8-I23 HydrophobicContact CB-CG2 3.61Å; A8-L26 HydrophobicContact CB-CG 4.44Å |
| 9 | V | 54.9 | Low | 54.8 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | N5 Q11 A12 I13 | N5-V9 WeakPolarHBondContact O-CG2 3.39Å; N5-V9 PolarHBondContact O-N 2.88Å; V9-Q11 PolarHBondContact O-N 3.22Å; V9-A12 PolarHBondContact O-N 2.66Å; V9-I13 HydrophobicContact CG1-CD1 3.91Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 3.45Å; V9-I13 VanDerWaalsContact O-N 3.11Å |
| 10 | L | 64.2 | Low | 54.1 | Low | 91 Ų | 91 | 94.2 Ų | 94.2 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 178.3 | -68.7 | 166.6 | 0 | 0 | 0 | 111.6 | D6 R7 A12 I13 F14 | D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 WeakPolarHBondContact O-CD1 3.14Å; D6-L10 WeakPolarHBondContact O-CG 3.47Å; D6-L10 PolarHBondContact O-N 3.08Å; R7-L10 PolarHBondContact O-N 3.1Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 3.45Å; L10-F14 HydrophobicContact CB-CD2 4.38Å; L10-F14 HydrophobicContact CB-CE2 4.47Å; L10-F14 HydrophobicContact CD2-CE2 3.94Å; L10-F14 WeakPolarHBondContact O-CD2 3.48Å; L10-F14 PolarHBondContact O-N 3.09Å |
| 11 | Q | 58 | Low | 53.8 | Low | 86 Ų | 86 | 93 Ų | 93 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 178.6 | -167.2 | 167.1 | -0.5 | 0 | 0 | 112.5 | R7 A8 V9 N15 | R7-Q11 WeakPolarHBondContact O-CB 3.45Å; R7-Q11 PolarHBondContact O-N 2.92Å; A8-Q11 PolarHBondContact O-N 3.4Å; V9-Q11 PolarHBondContact O-N 3.22Å; Q11-N15 WeakPolarHBondContact O-CB 3.4Å; Q11-N15 PolarHBondContact O-N 3.35Å |
| 12 | A | 56 | Low | 53.6 | Low | 39 Ų | 39 | 87.5 Ų | 87.5 | 32% | 0.322 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.4 | -31 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A8 V9 L10 I23 | A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 2.89Å; V9-A12 PolarHBondContact O-N 2.66Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 2.89Å; A12-I23 HydrophobicContact CB-CD1 4.42Å |
| 13 | I | 56.9 | Low | 53.1 | Low | 109 Ų | 109 | 86.3 Ų | 86.3 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.9 | -41.8 | 175.9 | -69.8 | 166.9 | 0 | 0 | 0 | 111 | V9 L10 | V9-I13 HydrophobicContact CG1-CD1 3.91Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 3.45Å; V9-I13 VanDerWaalsContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 3.45Å |
| 14 | F | 53.4 | Low | 51.7 | Low | 150 Ų | 150 | 89.5 Ų | 89.5 | 66% | 0.658 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -91.7 | -17.6 | -172.9 | -68.7 | -66.3 | 0 | 0 | 0 | 114.6 | L10 | L10-F14 HydrophobicContact CB-CD2 4.38Å; L10-F14 HydrophobicContact CB-CE2 4.47Å; L10-F14 HydrophobicContact CD2-CE2 3.94Å; L10-F14 WeakPolarHBondContact O-CD2 3.48Å; L10-F14 PolarHBondContact O-N 3.09Å |
| 15 | N | 49.2 | Very low | 51.2 | Low | 87 Ų | 87 | 87.1 Ų | 87.1 | 47% | 0.465 | 49% | 0.488 | S | S | . | . | trans | -129.6 | 76.8 | 177.5 | -62.8 | -51.5 | 0 | 0 | 0 | 111 | Q11 D17 T18 | Q11-N15 WeakPolarHBondContact O-CB 3.4Å; Q11-N15 PolarHBondContact O-N 3.35Å; N15-D17 PolarHBondContact O-N 3.1Å; N15-T18 WeakPolarHBondContact CB-OG1 3.32Å; N15-T18 PolarHBondContact O-N 3.3Å; N15-T18 PolarHBondContact O-OG1 3.47Å | ||
| 16 | P | 53.6 | Low | 50.9 | Low | 77 Ų | 77 | 86.9 Ų | 86.9 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18 | -176.4 | 26.4 | -34.4 | 0 | 0 | 0 | 114 | R159 | P16-R159 PolarHBondContact O-NH2 2.9Š|
| 17 | D | 49 | Very low | 50 | Low | 150 Ų | 150 | 87.6 Ų | 87.6 | 80% | 0.802 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.4 | -178.8 | -60.7 | -42.4 | 0 | 0 | 0 | 113.7 | N15 P19 | N15-D17 PolarHBondContact O-N 3.1Å; D17-P19 WeakPolarHBondContact O-CD 3.48Å |
| 18 | T | 52.8 | Low | 49.2 | Very low | 36 Ų | 36 | 83.5 Ų | 83.5 | 22% | 0.221 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -60 | 127.8 | 175.1 | -20.3 | 0 | 0 | 0 | 0 | 109.3 | N15 F20 | N15-T18 WeakPolarHBondContact CB-OG1 3.32Å; N15-T18 PolarHBondContact O-N 3.3Å; N15-T18 PolarHBondContact O-OG1 3.47Å; T18-F20 PolarHBondContact O-N 3.04Å; T18-F20 VanDerWaalsContact O-N 3.16Å |
| 19 | P | 47.2 | Very low | 48.6 | Very low | 88 Ų | 88 | 85.1 Ų | 85.1 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | trans | -55.1 | 122.4 | 173.2 | -23.8 | 33.5 | 0 | 0 | 0 | 109.7 | D17 G21 D22 | D17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-G21 PolarHBondContact O-N 2.87Å; P19-D22 PolarHBondContact O-N 2.88Å | ||
| 20 | F | 42 | Very low | 47.8 | Very low | 109 Ų | 109 | 86.4 Ų | 86.4 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 98.6 | -179.8 | -82.8 | -65.4 | 0 | 0 | 0 | 109.3 | T18 I23 R159 | T18-F20 PolarHBondContact O-N 3.04Å; T18-F20 VanDerWaalsContact O-N 3.16Å; F20-I23 HydrophobicContact CD1-CD1 3.86Å; F20-I23 HydrophobicContact CE1-CD1 3.79Å; F20-R159 VanDerWaalsContact CD2-CZ 3.42Å |
| 21 | G | 46.6 | Very low | 46.9 | Very low | 70 Ų | 70 | 88.5 Ų | 88.5 | 72% | 0.722 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 168.7 | -27.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P19 | P19-G21 PolarHBondContact O-N 2.87Š|
| 22 | D | 43.5 | Very low | 46.4 | Very low | 117 Ų | 117 | 85.7 Ų | 85.7 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | trans | -98.9 | 9.5 | -176.5 | -62.8 | -29.7 | 0 | 0 | 0 | 114.4 | P19 V24 | P19-D22 PolarHBondContact O-N 2.88Å; D22-V24 PolarHBondContact O-N 3.4Å | ||
| 23 | I | 44.6 | Very low | 46 | Very low | 19 Ų | 19 | 89.3 Ų | 89.3 | 10% | 0.097 | 51% | 0.507 | C | S | . | . | trans | -81.2 | 89.4 | 175.5 | -53.8 | 176.9 | 0 | 0 | 0 | 108.4 | A8 A12 F20 G25 L26 | A8-I23 HydrophobicContact CB-CG2 3.61Å; A12-I23 HydrophobicContact CB-CD1 4.42Å; F20-I23 HydrophobicContact CD1-CD1 3.86Å; F20-I23 HydrophobicContact CE1-CD1 3.79Å; I23-G25 PolarHBondContact O-N 3.49Å; I23-G25 VanDerWaalsContact O-N 3.07Å; I23-L26 HydrophobicContact CB-CD1 4.44Å; I23-L26 HydrophobicContact CD1-CD1 4.49Å; I23-L26 HydrophobicContact CG2-CD1 4.1Å; I23-L26 HydrophobicContact CG2-CG 4.48Å | ||
| 24 | V | 38.6 | Very low | 45.8 | Very low | 139 Ų | 139 | 89.3 Ų | 89.3 | 84% | 0.842 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 110.7 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | D22 | D22-V24 PolarHBondContact O-N 3.4Š|
| 25 | G | 40.2 | Very low | 46 | Very low | 47 Ų | 47 | 87 Ų | 87 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 122.2 | -4.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | I23 D27 | I23-G25 PolarHBondContact O-N 3.49Å; I23-G25 VanDerWaalsContact O-N 3.07Å; G25-D27 PolarHBondContact O-N 2.96Å |
| 26 | L | 42.9 | Very low | 46.4 | Very low | 86 Ų | 86 | 85.1 Ų | 85.1 | 45% | 0.45 | 48% | 0.483 | S | S | . | . | trans | -89.2 | 92.6 | 164.1 | -75.4 | 167.2 | 0 | 0 | 0 | 108.4 | A8 I23 L28 | A8-L26 HydrophobicContact CB-CG 4.44Å; I23-L26 HydrophobicContact CB-CD1 4.44Å; I23-L26 HydrophobicContact CD1-CD1 4.49Å; I23-L26 HydrophobicContact CG2-CD1 4.1Å; I23-L26 HydrophobicContact CG2-CG 4.48Å; L26-L28 PolarHBondContact O-N 3.29Å | ||
| 27 | D | 40.7 | Very low | 46.7 | Very low | 91 Ų | 91 | 89.8 Ų | 89.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | trans | -69.2 | 67 | 173.3 | -173.5 | 19 | 0 | 0 | 0 | 111.2 | G25 G29 E30 | G25-D27 PolarHBondContact O-N 2.96Å; D27-G29 VanDerWaalsContact C-N 3.34Å; D27-E30 VanDerWaalsContact OD1-CB 3.24Å; D27-E30 WeakPolarHBondContact OD1-CB 3.45Å; D27-E30 VanDerWaalsContact OD1-CG 3.27Å; D27-E30 WeakPolarHBondContact OD1-CG 3.47Å; D27-E30 PolarHBondContact OD1-N 3.14Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å | ||
| 28 | L | 44.3 | Very low | 47.6 | Very low | 83 Ų | 83 | 89.3 Ų | 89.3 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | trans | -92.8 | -2.9 | 167.8 | -67.8 | 169.5 | 0 | 0 | 0 | 111.2 | L26 | L26-L28 PolarHBondContact O-N 3.29Š| ||
| 29 | G | 42.9 | Very low | 48.5 | Very low | 37 Ų | 37 | 90.4 Ų | 90.4 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -87.4 | -47.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D27 E31 A32 E33 | D27-G29 VanDerWaalsContact C-N 3.34Å; G29-E31 PolarHBondContact O-N 2.96Å; G29-A32 PolarHBondContact O-N 2.88Å; G29-E33 WeakPolarHBondContact O-CG 3.47Å; G29-E33 PolarHBondContact O-N 3.25Å |
| 30 | E | 37.7 | Very low | 49.9 | Very low | 104 Ų | 104 | 87.1 Ų | 87.1 | 49% | 0.486 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.8 | -37.5 | -174.4 | -70.4 | -168.2 | -174 | 0 | 0 | 113.2 | D27 A32 E33 K34 | D27-E30 VanDerWaalsContact OD1-CB 3.24Å; D27-E30 WeakPolarHBondContact OD1-CB 3.45Å; D27-E30 VanDerWaalsContact OD1-CG 3.27Å; D27-E30 WeakPolarHBondContact OD1-CG 3.47Å; D27-E30 PolarHBondContact OD1-N 3.14Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-E33 PolarHBondContact O-N 3.48Å; E30-K34 WeakPolarHBondContact O-CB 3.48Å; E30-K34 WeakPolarHBondContact O-CD 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3Å; E30-K34 PolarHBondContact O-N 3.41Å; E30-K34 IonicContact OE2-NZ 2.62Å; E30-K34 PolarHBondContact OE2-NZ 3.07Å |
| 31 | E | 45.2 | Very low | 51.7 | Low | 134 Ų | 134 | 89 Ų | 89 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.9 | -38.5 | 177.8 | -65.7 | -166.6 | 156.3 | 0 | 0 | 111.6 | G29 K34 E35 | G29-E31 PolarHBondContact O-N 2.96Å; E31-K34 PolarHBondContact O-N 3.19Å; E31-E35 WeakPolarHBondContact O-CG 3.45Å; E31-E35 PolarHBondContact O-N 2.87Å |
| 32 | A | 46.7 | Very low | 53.5 | Low | 27 Ų | 27 | 91.1 Ų | 91.1 | 22% | 0.223 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G29 E30 E35 E36 | G29-A32 PolarHBondContact O-N 2.88Å; E30-A32 VanDerWaalsContact C-N 3.35Å; A32-E35 PolarHBondContact O-N 3.45Å; A32-E36 WeakPolarHBondContact O-CB 3.39Å; A32-E36 PolarHBondContact O-N 3.07Å |
| 33 | E | 48.2 | Very low | 55.7 | Low | 116 Ų | 116 | 87.2 Ų | 87.2 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68 | -34.9 | 174.5 | -72.2 | -179.7 | -169.8 | 0 | 0 | 112.4 | G29 E30 R37 | G29-E33 WeakPolarHBondContact O-CG 3.47Å; G29-E33 PolarHBondContact O-N 3.25Å; E30-E33 PolarHBondContact O-N 3.48Å; E33-R37 WeakPolarHBondContact O-CG 3.47Å; E33-R37 PolarHBondContact O-N 2.79Å; E33-R37 VanDerWaalsContact O-N 3.08Å |
| 34 | K | 53.3 | Low | 58 | Low | 109 Ų | 109 | 89.9 Ų | 89.9 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | 174.8 | -73.8 | 163.4 | -168.4 | 156.8 | 0 | 112.1 | E30 E31 K38 | E30-K34 WeakPolarHBondContact O-CB 3.48Å; E30-K34 WeakPolarHBondContact O-CD 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3Å; E30-K34 PolarHBondContact O-N 3.41Å; E30-K34 IonicContact OE2-NZ 2.62Å; E30-K34 PolarHBondContact OE2-NZ 3.07Å; E31-K34 PolarHBondContact O-N 3.19Å; K34-K38 WeakPolarHBondContact O-CG 3.44Å |
| 35 | E | 57.4 | Low | 60.5 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 173.9 | -75.2 | -171.7 | 161.8 | 0 | 0 | 112.1 | E31 A32 K38 E39 | E31-E35 WeakPolarHBondContact O-CG 3.45Å; E31-E35 PolarHBondContact O-N 2.87Å; A32-E35 PolarHBondContact O-N 3.45Å; E35-K38 WeakPolarHBondContact O-CB 3.28Å; E35-K38 PolarHBondContact O-N 3.24Å; E35-K38 VanDerWaalsContact O-N 3.17Å; E35-E39 PolarHBondContact O-N 3.1Å; E35-E39 VanDerWaalsContact O-N 3.12Å |
| 36 | E | 57.8 | Low | 63 | Low | 46 Ų | 46 | 92.1 Ų | 92.1 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 179.8 | -164.4 | 169.1 | -161.3 | 0 | 0 | 112.5 | A32 K38 E39 D40 R120 | A32-E36 WeakPolarHBondContact O-CB 3.39Å; A32-E36 PolarHBondContact O-N 3.07Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.03Å; E36-E39 PolarHBondContact O-N 3.41Å; E36-D40 WeakPolarHBondContact O-CB 3.45Å; E36-D40 PolarHBondContact O-N 3.45Å; E36-D40 VanDerWaalsContact O-N 3.08Å; E36-R120 VanDerWaalsContact OE1-CD 3.27Å; E36-R120 WeakPolarHBondContact OE1-CD 3.47Å; E36-R120 IonicContact OE1-CZ 3.58Å; E36-R120 VanDerWaalsContact OE1-CZ 3.31Å; E36-R120 IonicContact OE1-NE 2.9Å; E36-R120 IonicContact OE1-NH1 3.31Å; E36-R120 PolarHBondContact OE1-NH1 2.89Å; E36-R120 VanDerWaalsContact OE2-CD 3.31Å; E36-R120 WeakPolarHBondContact OE2-CD 3.47Å; E36-R120 IonicContact OE2-CZ 3.84Å; E36-R120 IonicContact OE2-NE 2.66Å; E36-R120 IonicContact OE2-NH1 3.56Å; E36-R120 PolarHBondContact OE2-NH1 3Å |
| 37 | R | 59.8 | Low | 65.3 | Low | 175 Ų | 175 | 91.9 Ų | 91.9 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.5 | -38.7 | 171.7 | -76.4 | 179.9 | -174.2 | -147.3 | 3 | 112.4 | E33 D40 E41 | E33-R37 WeakPolarHBondContact O-CG 3.47Å; E33-R37 PolarHBondContact O-N 2.79Å; E33-R37 VanDerWaalsContact O-N 3.08Å; R37-D40 PolarHBondContact O-N 2.96Å; R37-E41 WeakPolarHBondContact O-CG 3.13Å; R37-E41 PolarHBondContact O-N 3.48Å |
| 38 | K | 68.6 | Low | 67.8 | Low | 141 Ų | 141 | 88 Ų | 88 | 61% | 0.613 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.6 | -34.2 | 178.4 | -68.5 | 173.8 | -177.5 | 178.2 | 0 | 113.1 | K34 E35 E36 D40 | K34-K38 WeakPolarHBondContact O-CG 3.44Å; E35-K38 WeakPolarHBondContact O-CB 3.28Å; E35-K38 PolarHBondContact O-N 3.24Å; E35-K38 VanDerWaalsContact O-N 3.17Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.03Å; K38-D40 VanDerWaalsContact C-N 3.35Å |
| 39 | E | 70.3 | Confident | 70.2 | Confident | 59 Ų | 59 | 89 Ų | 89 | 28% | 0.276 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 174.4 | -71.6 | 176.9 | -170.1 | 0 | 0 | 111.2 | E35 E36 F43 G119 R120 | E35-E39 PolarHBondContact O-N 3.1Å; E35-E39 VanDerWaalsContact O-N 3.12Å; E36-E39 PolarHBondContact O-N 3.41Å; E39-F43 WeakPolarHBondContact O-CE2 3.37Å; E39-G119 VanDerWaalsContact OE1-CA 3.29Å; E39-G119 WeakPolarHBondContact OE1-CA 3.48Å; E39-R120 PolarHBondContact OE1-N 2.95Å |
| 40 | D | 77.5 | Confident | 72.8 | Confident | 19 Ų | 19 | 92.5 Ų | 92.5 | 10% | 0.102 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -78.2 | -24.8 | -176.7 | -84.6 | -13.2 | 0 | 0 | 0 | 113.5 | E36 R37 K38 V42 F43 L48 K52 R84 | E36-D40 WeakPolarHBondContact O-CB 3.45Å; E36-D40 PolarHBondContact O-N 3.45Å; E36-D40 VanDerWaalsContact O-N 3.08Å; R37-D40 PolarHBondContact O-N 2.96Å; K38-D40 VanDerWaalsContact C-N 3.35Å; D40-V42 PolarHBondContact O-N 3.33Å; D40-V42 VanDerWaalsContact O-N 3.12Å; D40-F43 PolarHBondContact O-N 2.96Å; D40-L48 HydrophobicContact CB-CD1 4.38Å; D40-L48 HydrophobicContact CB-CD2 3.83Å; D40-K52 WeakPolarHBondContact OD2-CE 3.29Å; D40-K52 IonicContact OD2-NZ 3.65Å; D40-K52 PolarHBondContact OD2-NZ 2.96Å; D40-R84 IonicContact OD1-CZ 2.76Å; D40-R84 IonicContact OD1-NE 2.93Å; D40-R84 PolarHBondContact OD1-NE 3.11Å; D40-R84 IonicContact OD1-NH2 3.17Å; D40-R84 PolarHBondContact OD1-NH2 2.87Å; D40-R84 IonicContact OD2-NH2 3.78Å; D40-R84 PolarHBondContact OD2-NH2 2.85Å |
| 41 | E | 79.9 | Confident | 75.6 | Confident | 148 Ų | 148 | 87.6 Ų | 87.6 | 69% | 0.692 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.2 | 179.1 | -86.7 | 167.8 | -157.4 | 0 | 0 | 114.3 | R37 F43 | R37-E41 WeakPolarHBondContact O-CG 3.13Å; R37-E41 PolarHBondContact O-N 3.48Å; E41-F43 VanDerWaalsContact C-N 3.34Å |
| 42 | V | 84 | Confident | 77.9 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 69% | 0.691 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.3 | -178.6 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | D40 | D40-V42 PolarHBondContact O-N 3.33Å; D40-V42 VanDerWaalsContact O-N 3.12Å |
| 43 | F | 89.3 | Confident | 80.3 | Confident | 36 Ų | 36 | 85.2 Ų | 85.2 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -97.7 | 149.5 | -172.1 | -57.5 | -67.4 | 0 | 0 | 0 | 113.1 | E39 D40 E41 Q45 L48 L81 E83 R84 | E39-F43 WeakPolarHBondContact O-CE2 3.37Å; D40-F43 PolarHBondContact O-N 2.96Å; E41-F43 VanDerWaalsContact C-N 3.34Å; F43-Q45 PolarHBondContact O-N 3.33Å; F43-L48 HydrophobicContact CB-CB 4.24Å; F43-L48 HydrophobicContact CB-CD1 4.4Å; F43-L48 HydrophobicContact CD2-CD1 4.21Å; F43-L81 HydrophobicContact CB-CD1 4.15Å; F43-L81 HydrophobicContact CB-CD2 4.44Å; F43-L81 HydrophobicContact CD1-CD1 4.37Å; F43-L81 HydrophobicContact CD1-CD2 4.03Å; F43-L81 HydrophobicContact CG-CD1 4.14Å; F43-L81 HydrophobicContact CG-CD2 4.46Å; F43-E83 HydrophobicContact CE1-CB 4.06Å; F43-E83 HydrophobicContact CZ-CB 4.45Å; F43-R84 HydrophobicContact CE2-CB 4.43Å; F43-R84 HydrophobicContact CE2-CG 4.3Å; F43-R84 HydrophobicContact CZ-CB 4.27Å |
| 44 | P | 92.4 | Very high | 82.7 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | trans | -57.7 | 122.4 | 171.2 | -25.1 | 36.3 | 0 | 0 | 0 | 111 | A46 Q47 L48 | P44-A46 VanDerWaalsContact C-N 3.27Å; P44-A46 PolarHBondContact O-N 3.34Å; P44-A46 VanDerWaalsContact O-N 3.12Å; P44-Q47 HydrophobicContact CB-CB 4.42Å; P44-Q47 HydrophobicContact CB-CG 4.43Å; P44-Q47 PolarHBondContact O-N 3.47Å; P44-L48 PolarHBondContact O-N 3.41Å | ||
| 45 | Q | 90.6 | Very high | 84.7 | Confident | 151 Ų | 151 | 75.9 Ų | 75.9 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.5 | -39.8 | -169.6 | -164.8 | 172.3 | 5.7 | 0 | 0 | 113.3 | F43 L48 E49 | F43-Q45 PolarHBondContact O-N 3.33Å; Q45-L48 PolarHBondContact O-N 3.39Å; Q45-E49 WeakPolarHBondContact O-CG 3.48Å; Q45-E49 PolarHBondContact O-N 2.89Å |
| 46 | A | 92.7 | Very high | 86.5 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P44 Q50 | P44-A46 VanDerWaalsContact C-N 3.27Å; P44-A46 PolarHBondContact O-N 3.34Å; P44-A46 VanDerWaalsContact O-N 3.12Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.36Å |
| 47 | Q | 92.7 | Very high | 88.3 | Confident | 81 Ų | 81 | 78.1 Ų | 78.1 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72 | -35.5 | 177.7 | -68 | 179.1 | -36.9 | 0 | 0 | 111.2 | P44 Q50 S51 L80 L81 | P44-Q47 HydrophobicContact CB-CB 4.42Å; P44-Q47 HydrophobicContact CB-CG 4.43Å; P44-Q47 PolarHBondContact O-N 3.47Å; Q47-Q50 PolarHBondContact O-N 3.37Å; Q47-S51 WeakPolarHBondContact O-CB 3.43Å; Q47-S51 PolarHBondContact O-N 2.83Å; Q47-L80 HydrophobicContact CB-CD1 4.48Å; Q47-L80 HydrophobicContact CB-CG 4.37Å; Q47-L80 HydrophobicContact CG-CD1 4.28Å; Q47-L80 WeakPolarHBondContact O-CD2 3.38Å; Q47-L81 HydrophobicContact CB-CD2 3.97Å; Q47-L81 HydrophobicContact CB-CG 4.32Å |
| 48 | L | 93.5 | Very high | 90 | Very high | 10 Ų | 10 | 69.8 Ų | 69.8 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 175.8 | 179.5 | 65.7 | 0 | 0 | 0 | 111.8 | D40 F43 P44 Q45 Q50 S51 K52 L81 R84 | D40-L48 HydrophobicContact CB-CD1 4.38Å; D40-L48 HydrophobicContact CB-CD2 3.83Å; F43-L48 HydrophobicContact CB-CB 4.24Å; F43-L48 HydrophobicContact CB-CD1 4.4Å; F43-L48 HydrophobicContact CD2-CD1 4.21Å; P44-L48 PolarHBondContact O-N 3.41Å; Q45-L48 PolarHBondContact O-N 3.39Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.21Å; L48-S51 PolarHBondContact O-N 3.23Å; L48-K52 HydrophobicContact CD1-CD 4.4Å; L48-K52 HydrophobicContact CD1-CG 4.45Å; L48-K52 HydrophobicContact CG-CD 4.2Å; L48-K52 WeakPolarHBondContact O-CB 3.23Å; L48-K52 WeakPolarHBondContact O-CG 3.45Å; L48-K52 PolarHBondContact O-N 3.43Å; L48-L81 HydrophobicContact CB-CD1 4.34Å; L48-L81 HydrophobicContact CD1-CD1 4.21Å; L48-R84 VanDerWaalsContact CD1-NE 3.35Å |
| 49 | E | 94.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 65.4 Ų | 65.4 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 178.5 | -69.8 | -53.3 | 130.3 | 0 | 0 | 111.5 | Q45 K52 A53 | Q45-E49 WeakPolarHBondContact O-CG 3.48Å; Q45-E49 PolarHBondContact O-N 2.89Å; E49-K52 PolarHBondContact O-N 3.19Å; E49-A53 WeakPolarHBondContact O-CB 3.36Å; E49-A53 PolarHBondContact O-N 3.42Å |
| 50 | Q | 96.1 | Very high | 92.1 | Very high | 112 Ų | 112 | 68.1 Ų | 68.1 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.5 | -176 | -179.4 | 18.5 | 0 | 0 | 112.2 | A46 Q47 L48 A53 L54 L80 | A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.36Å; Q47-Q50 PolarHBondContact O-N 3.37Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.21Å; Q50-A53 PolarHBondContact O-N 2.99Å; Q50-L54 HydrophobicContact CG-CD1 4.48Å; Q50-L54 WeakPolarHBondContact O-CG 3.46Å; Q50-L54 PolarHBondContact O-N 3.34Å; Q50-L80 HydrophobicContact CB-CD2 3.66Å; Q50-L80 HydrophobicContact CG-CD2 3.56Å |
| 51 | S | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 174.2 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | Q47 L48 A53 L54 E55 | Q47-S51 WeakPolarHBondContact O-CB 3.43Å; Q47-S51 PolarHBondContact O-N 2.83Å; L48-S51 PolarHBondContact O-N 3.23Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 2.96Å; S51-L54 WeakPolarHBondContact O-CB 3.38Å; S51-L54 PolarHBondContact O-N 2.93Å; S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 3.11Å; S51-E55 PolarHBondContact OG-OE1 3.37Å |
| 52 | K | 94.6 | Very high | 93 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.6 | -75.3 | 176.1 | 176.6 | 178.1 | 0 | 111.8 | D40 L48 E49 E55 L56 | D40-K52 WeakPolarHBondContact OD2-CE 3.29Å; D40-K52 IonicContact OD2-NZ 3.65Å; D40-K52 PolarHBondContact OD2-NZ 2.96Å; L48-K52 HydrophobicContact CD1-CD 4.4Å; L48-K52 HydrophobicContact CD1-CG 4.45Å; L48-K52 HydrophobicContact CG-CD 4.2Å; L48-K52 WeakPolarHBondContact O-CB 3.23Å; L48-K52 WeakPolarHBondContact O-CG 3.45Å; L48-K52 PolarHBondContact O-N 3.43Å; E49-K52 PolarHBondContact O-N 3.19Å; K52-E55 PolarHBondContact O-N 3.15Å; K52-L56 WeakPolarHBondContact O-CB 3.49Å; K52-L56 PolarHBondContact O-N 2.98Å |
| 53 | A | 96.8 | Very high | 93.2 | Very high | 46 Ų | 46 | 64 Ų | 64 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E49 Q50 S51 L56 Q57 | E49-A53 WeakPolarHBondContact O-CB 3.36Å; E49-A53 PolarHBondContact O-N 3.42Å; Q50-A53 PolarHBondContact O-N 2.99Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 2.96Å; A53-L56 PolarHBondContact O-N 3.06Å; A53-Q57 VanDerWaalsContact O-CG 3.28Å; A53-Q57 WeakPolarHBondContact O-CG 3.37Å; A53-Q57 PolarHBondContact O-N 3.25Å |
| 54 | L | 97.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 174.7 | -72.6 | 166.9 | 0 | 0 | 0 | 111.8 | Q50 S51 Q57 G58 R73 Q76 A77 L80 | Q50-L54 HydrophobicContact CG-CD1 4.48Å; Q50-L54 WeakPolarHBondContact O-CG 3.46Å; Q50-L54 PolarHBondContact O-N 3.34Å; S51-L54 WeakPolarHBondContact O-CB 3.38Å; S51-L54 PolarHBondContact O-N 2.93Å; L54-Q57 PolarHBondContact O-N 2.91Å; L54-G58 PolarHBondContact O-N 3.12Å; L54-R73 WeakPolarHBondContact O-CB 3.49Å; L54-Q76 HydrophobicContact CD1-CB 3.96Å; L54-Q76 HydrophobicContact CD2-CB 4.16Å; L54-A77 HydrophobicContact CB-CB 3.9Å; L54-L80 HydrophobicContact CD1-CD2 4.39Å |
| 55 | E | 95.1 | Very high | 93 | Very high | 9 Ų | 9 | 65.5 Ų | 65.5 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.1 | -76.4 | 168.4 | -104.6 | 0 | 0 | 111.9 | S51 K52 Q57 G58 V59 F74 A77 R84 S86 A87 N90 | S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 3.11Å; S51-E55 PolarHBondContact OG-OE1 3.37Å; K52-E55 PolarHBondContact O-N 3.15Å; E55-Q57 PolarHBondContact O-N 3.47Å; E55-G58 PolarHBondContact O-N 2.99Å; E55-V59 WeakPolarHBondContact O-CG2 3.27Å; E55-V59 PolarHBondContact O-N 3.39Å; E55-F74 HydrophobicContact CB-CE1 4.43Å; E55-F74 HydrophobicContact CG-CD1 4.27Å; E55-F74 VanDerWaalsContact O-CE1 3.3Å; E55-F74 WeakPolarHBondContact O-CE1 3.42Å; E55-A77 HydrophobicContact CG-CB 3.83Å; E55-R84 IonicContact OE1-CZ 2.72Å; E55-R84 IonicContact OE1-NH1 3.55Å; E55-R84 PolarHBondContact OE1-NH1 2.59Å; E55-R84 IonicContact OE2-NH1 3.94Å; E55-R84 PolarHBondContact OE2-NH1 3.16Å; E55-S86 WeakPolarHBondContact OE2-CB 3.38Å; E55-S86 PolarHBondContact OE2-OG 3.25Å; E55-A87 HydrophobicContact CG-CB 4.13Å; E55-A87 PolarHBondContact OE2-N 3.36Å; E55-N90 PolarHBondContact OE2-ND2 2.72Å; E55-N90 VanDerWaalsContact OE2-ND2 3.15Å |
| 56 | L | 94.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 61.2 Ų | 61.2 | 57% | 0.571 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 176.1 | -178.8 | 62.1 | 0 | 0 | 0 | 111.4 | K52 A53 G58 V59 M60 | K52-L56 WeakPolarHBondContact O-CB 3.49Å; K52-L56 PolarHBondContact O-N 2.98Å; A53-L56 PolarHBondContact O-N 3.06Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.49Å; L56-V59 PolarHBondContact O-N 3.17Å; L56-M60 HydrophobicContact CG-SD 4.47Å; L56-M60 WeakPolarHBondContact O-CG 3.49Å; L56-M60 PolarHBondContact O-N 3.25Å |
| 57 | Q | 95.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 59 Ų | 59 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 174.3 | -72.4 | 172.3 | 10.6 | 0 | 0 | 111.7 | A53 L54 E55 M60 A61 R73 | A53-Q57 VanDerWaalsContact O-CG 3.28Å; A53-Q57 WeakPolarHBondContact O-CG 3.37Å; A53-Q57 PolarHBondContact O-N 3.25Å; L54-Q57 PolarHBondContact O-N 2.91Å; E55-Q57 PolarHBondContact O-N 3.47Å; Q57-M60 PolarHBondContact O-N 3.38Å; Q57-A61 WeakPolarHBondContact O-CB 3.5Å; Q57-A61 PolarHBondContact O-N 2.98Å; Q57-R73 HydrophobicContact CB-CG 4.17Å |
| 58 | G | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L54 E55 L56 A61 A62 A70 | L54-G58 PolarHBondContact O-N 3.12Å; E55-G58 PolarHBondContact O-N 2.99Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.49Å; G58-A61 PolarHBondContact O-N 3.07Å; G58-A62 WeakPolarHBondContact O-CB 3.43Å; G58-A62 PolarHBondContact O-N 3.27Å; G58-A70 VanDerWaalsContact O-CB 3.26Å; G58-A70 WeakPolarHBondContact O-CB 3.37Å |
| 59 | V | 91.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 60.8 Ų | 60.8 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | E55 L56 A61 A62 E63 F74 | E55-V59 WeakPolarHBondContact O-CG2 3.27Å; E55-V59 PolarHBondContact O-N 3.39Å; L56-V59 PolarHBondContact O-N 3.17Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 2.61Å; V59-A62 PolarHBondContact O-N 2.97Å; V59-A62 VanDerWaalsContact O-N 3.13Å; V59-E63 HydrophobicContact CG1-CG 4.4Å; V59-E63 WeakPolarHBondContact O-CG 3.21Å; V59-E63 PolarHBondContact O-N 3.06Å; V59-F74 HydrophobicContact CG2-CE1 4.16Å; V59-F74 HydrophobicContact CG2-CZ 4Å |
| 60 | M | 92.6 | Very high | 93.5 | Very high | 116 Ų | 116 | 56 Ų | 56 | 57% | 0.571 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.4 | -40.3 | 177.7 | -69.2 | -179.4 | 72.6 | 0 | 0 | 112.1 | L56 Q57 E63 A64 | L56-M60 HydrophobicContact CG-SD 4.47Å; L56-M60 WeakPolarHBondContact O-CG 3.49Å; L56-M60 PolarHBondContact O-N 3.25Å; Q57-M60 PolarHBondContact O-N 3.38Å; M60-E63 PolarHBondContact O-N 3.46Å; M60-A64 WeakPolarHBondContact O-CB 3.26Å; M60-A64 PolarHBondContact O-N 3.44Å |
| 61 | A | 89.2 | Confident | 93.6 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q57 G58 V59 E63 A64 G65 D66 T69 A70 | Q57-A61 WeakPolarHBondContact O-CB 3.5Å; Q57-A61 PolarHBondContact O-N 2.98Å; G58-A61 PolarHBondContact O-N 3.07Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 2.61Å; A61-E63 PolarHBondContact O-N 3.09Å; A61-A64 CarbonylContact O-C 3.53Å; A61-A64 PolarHBondContact O-N 3.13Å; A61-G65 PolarHBondContact O-N 2.96Å; A61-G65 VanDerWaalsContact O-N 3.17Å; A61-D66 PolarHBondContact O-N 3.05Å; A61-T69 HydrophobicContact CB-CG2 3.91Å; A61-A70 HydrophobicContact CB-CB 4.12Å |
| 62 | A | 86.4 | Confident | 93.7 | Very high | 24 Ų | 24 | 57.2 Ų | 57.2 | 20% | 0.198 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G58 V59 A64 G65 L67 A70 | G58-A62 WeakPolarHBondContact O-CB 3.43Å; G58-A62 PolarHBondContact O-N 3.27Å; V59-A62 PolarHBondContact O-N 2.97Å; V59-A62 VanDerWaalsContact O-N 3.13Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 3.39Å; A62-G65 PolarHBondContact O-N 2.97Å; A62-L67 HydrophobicContact CB-CD2 4.47Å; A62-A70 HydrophobicContact CB-CB 3.82Å |
| 63 | E | 88.8 | Confident | 93.9 | Very high | 158 Ų | 158 | 57.7 Ų | 57.7 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.1 | -33.7 | 174.7 | -72.4 | 178.5 | 169.2 | 0 | 0 | 112.2 | V59 M60 A61 G65 | V59-E63 HydrophobicContact CG1-CG 4.4Å; V59-E63 WeakPolarHBondContact O-CG 3.21Å; V59-E63 PolarHBondContact O-N 3.06Å; M60-E63 PolarHBondContact O-N 3.46Å; A61-E63 PolarHBondContact O-N 3.09Å; E63-G65 PolarHBondContact O-N 3.43Å |
| 64 | A | 90.6 | Very high | 93.9 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -4.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | M60 A61 A62 D66 | M60-A64 WeakPolarHBondContact O-CB 3.26Å; M60-A64 PolarHBondContact O-N 3.44Å; A61-A64 CarbonylContact O-C 3.53Å; A61-A64 PolarHBondContact O-N 3.13Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 3.39Å; A64-D66 VanDerWaalsContact C-N 3.31Å |
| 65 | G | 86.3 | Confident | 93.9 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 0.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A61 A62 E63 L67 | A61-G65 PolarHBondContact O-N 2.96Å; A61-G65 VanDerWaalsContact O-N 3.17Å; A62-G65 PolarHBondContact O-N 2.97Å; E63-G65 PolarHBondContact O-N 3.43Å; G65-L67 VanDerWaalsContact C-N 3.33Å; G65-L67 PolarHBondContact O-N 3.13Å |
| 66 | D | 95.9 | Very high | 94.1 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | trans | -83.8 | 77.9 | 174.9 | -174.2 | -6 | 0 | 0 | 0 | 110.5 | A61 A64 S68 T69 A70 | A61-D66 PolarHBondContact O-N 3.05Å; A64-D66 VanDerWaalsContact C-N 3.31Å; D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 2.92Å; D66-S68 PolarHBondContact OD1-N 3.42Å; D66-S68 PolarHBondContact OD1-OG 3.21Å; D66-T69 VanDerWaalsContact CG-CB 3.45Å; D66-T69 PolarHBondContact O-N 3.32Å; D66-T69 PolarHBondContact OD1-N 3.39Å; D66-T69 PolarHBondContact OD1-OG1 3Å; D66-T69 WeakPolarHBondContact OD2-CB 3.49Å; D66-T69 PolarHBondContact OD2-OG1 3.43Å; D66-A70 WeakPolarHBondContact O-CB 3.49Å; D66-A70 PolarHBondContact O-N 3.43Å | ||
| 67 | L | 90.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 18% | 0.183 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.2 | -30.1 | -179.5 | -60.4 | 180 | 0 | 0 | 0 | 112.6 | A62 G65 A70 L71 L97 Q98 | A62-L67 HydrophobicContact CB-CD2 4.47Å; G65-L67 VanDerWaalsContact C-N 3.33Å; G65-L67 PolarHBondContact O-N 3.13Å; L67-A70 PolarHBondContact O-N 3.04Å; L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 3.4Å; L67-L97 HydrophobicContact CD1-CB 3.89Å; L67-L97 HydrophobicContact CD2-CB 3.87Å; L67-L97 HydrophobicContact CD2-CD1 4.09Å; L67-Q98 HydrophobicContact CD1-CB 4.05Å |
| 68 | S | 97.3 | Very high | 94.3 | Very high | 88 Ų | 88 | 50 Ų | 50 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.8 | -53.6 | 175.6 | 25.9 | 0 | 0 | 0 | 0 | 111.6 | D66 A70 L71 E72 | D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 2.92Å; D66-S68 PolarHBondContact OD1-N 3.42Å; D66-S68 PolarHBondContact OD1-OG 3.21Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.47Å; S68-L71 PolarHBondContact O-N 2.85Å; S68-E72 PolarHBondContact O-N 3.14Å; S68-E72 VanDerWaalsContact O-N 3.09Å |
| 69 | T | 97.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.258 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 177.8 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | A61 D66 L71 E72 R73 | A61-T69 HydrophobicContact CB-CG2 3.91Å; D66-T69 VanDerWaalsContact CG-CB 3.45Å; D66-T69 PolarHBondContact O-N 3.32Å; D66-T69 PolarHBondContact OD1-N 3.39Å; D66-T69 PolarHBondContact OD1-OG1 3Å; D66-T69 WeakPolarHBondContact OD2-CB 3.49Å; D66-T69 PolarHBondContact OD2-OG1 3.43Å; T69-L71 PolarHBondContact O-N 3.18Å; T69-E72 PolarHBondContact O-N 2.9Å; T69-R73 HydrophobicContact CG2-CG 4.2Å; T69-R73 VanDerWaalsContact O-CG 3.28Å; T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.22Å |
| 70 | A | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.8 | -49.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G58 A61 A62 D66 L67 S68 E72 R73 F74 A94 | G58-A70 VanDerWaalsContact O-CB 3.26Å; G58-A70 WeakPolarHBondContact O-CB 3.37Å; A61-A70 HydrophobicContact CB-CB 4.12Å; A62-A70 HydrophobicContact CB-CB 3.82Å; D66-A70 WeakPolarHBondContact O-CB 3.49Å; D66-A70 PolarHBondContact O-N 3.43Å; L67-A70 PolarHBondContact O-N 3.04Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.47Å; A70-E72 VanDerWaalsContact C-N 3.34Å; A70-E72 PolarHBondContact O-N 2.96Å; A70-R73 PolarHBondContact O-N 3.49Å; A70-F74 HydrophobicContact CB-CD2 4.48Å; A70-F74 HydrophobicContact CB-CE2 4.04Å; A70-F74 WeakPolarHBondContact O-CD2 3.45Å; A70-F74 VanDerWaalsContact O-CG 3.3Å; A70-F74 WeakPolarHBondContact O-CG 3.26Å; A70-F74 PolarHBondContact O-N 2.83Å; A70-A94 HydrophobicContact CB-CB 4.35Å |
| 71 | L | 97.9 | Very high | 94.9 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 179.6 | -71 | 171.1 | 0 | 0 | 0 | 112.8 | L67 S68 T69 G75 R91 A94 R95 | L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 3.4Å; S68-L71 PolarHBondContact O-N 2.85Å; T69-L71 PolarHBondContact O-N 3.18Å; L71-G75 PolarHBondContact O-N 3.42Å; L71-R91 HydrophobicContact CD2-CG 3.65Å; L71-A94 HydrophobicContact CD2-CB 3.68Å; L71-A94 HydrophobicContact CG-CB 4.08Å; L71-R95 HydrophobicContact CD2-CG 3.6Å |
| 72 | E | 98.3 | Very high | 95.2 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 174.3 | -170.7 | -170.8 | 166.5 | 0 | 0 | 110.8 | S68 T69 A70 F74 G75 Q76 | S68-E72 PolarHBondContact O-N 3.14Å; S68-E72 VanDerWaalsContact O-N 3.09Å; T69-E72 PolarHBondContact O-N 2.9Å; A70-E72 VanDerWaalsContact C-N 3.34Å; A70-E72 PolarHBondContact O-N 2.96Å; E72-F74 PolarHBondContact O-N 3.47Å; E72-G75 WeakPolarHBondContact O-CA 3.28Å; E72-G75 PolarHBondContact O-N 3.43Å; E72-G75 VanDerWaalsContact O-N 3.14Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 2.76Å; E72-Q76 PolarHBondContact OE1-NE2 3.17Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å |
| 73 | R | 98.1 | Very high | 95.6 | Very high | 77 Ų | 77 | 57.8 Ų | 57.8 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | -179.3 | -63 | -62 | 169.7 | 174.1 | -4 | 112.2 | L54 Q57 T69 A70 G75 Q76 A77 | L54-R73 WeakPolarHBondContact O-CB 3.49Å; Q57-R73 HydrophobicContact CB-CG 4.17Å; T69-R73 HydrophobicContact CG2-CG 4.2Å; T69-R73 VanDerWaalsContact O-CG 3.28Å; T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.22Å; A70-R73 PolarHBondContact O-N 3.49Å; R73-G75 VanDerWaalsContact C-N 3.32Å; R73-G75 PolarHBondContact O-N 3.32Å; R73-Q76 PolarHBondContact O-N 2.99Å; R73-A77 PolarHBondContact O-N 3.4Å |
| 74 | F | 97.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 173.5 | -60.6 | -45.1 | 0 | 0 | 0 | 112.3 | E55 V59 A70 E72 A77 I78 N90 R91 A94 | E55-F74 HydrophobicContact CB-CE1 4.43Å; E55-F74 HydrophobicContact CG-CD1 4.27Å; E55-F74 VanDerWaalsContact O-CE1 3.3Å; E55-F74 WeakPolarHBondContact O-CE1 3.42Å; V59-F74 HydrophobicContact CG2-CE1 4.16Å; V59-F74 HydrophobicContact CG2-CZ 4Å; A70-F74 HydrophobicContact CB-CD2 4.48Å; A70-F74 HydrophobicContact CB-CE2 4.04Å; A70-F74 WeakPolarHBondContact O-CD2 3.45Å; A70-F74 VanDerWaalsContact O-CG 3.3Å; A70-F74 WeakPolarHBondContact O-CG 3.26Å; A70-F74 PolarHBondContact O-N 2.83Å; E72-F74 PolarHBondContact O-N 3.47Å; F74-A77 PolarHBondContact O-N 2.86Å; F74-I78 VanDerWaalsContact O-CG1 3.29Å; F74-I78 WeakPolarHBondContact O-CG1 3.37Å; F74-I78 PolarHBondContact O-N 3.35Å; F74-N90 HydrophobicContact CD1-CB 3.7Å; F74-N90 HydrophobicContact CD2-CB 4.45Å; F74-N90 HydrophobicContact CE1-CB 3.38Å; F74-N90 HydrophobicContact CE2-CB 4.17Å; F74-N90 HydrophobicContact CG-CB 4.24Å; F74-N90 HydrophobicContact CZ-CB 3.65Å; F74-R91 HydrophobicContact CB-CB 3.77Å; F74-R91 HydrophobicContact CB-CG 4.02Å; F74-R91 HydrophobicContact CD2-CB 4.29Å; F74-R91 HydrophobicContact CG-CB 4.28Å; F74-A94 HydrophobicContact CD2-CB 4.21Å; F74-A94 HydrophobicContact CE2-CB 3.98Å |
| 75 | G | 98.4 | Very high | 96 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L71 E72 R73 A77 I78 C79 | L71-G75 PolarHBondContact O-N 3.42Å; E72-G75 WeakPolarHBondContact O-CA 3.28Å; E72-G75 PolarHBondContact O-N 3.43Å; E72-G75 VanDerWaalsContact O-N 3.14Å; R73-G75 VanDerWaalsContact C-N 3.32Å; R73-G75 PolarHBondContact O-N 3.32Å; G75-A77 PolarHBondContact O-N 3.4Å; G75-I78 PolarHBondContact O-N 3.37Å; G75-C79 PolarHBondContact O-N 3.15Å; G75-C79 PolarHBondContact O-SG 2.85Å; G75-C79 VanDerWaalsContact O-SG 3.36Å |
| 76 | Q | 98.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 33% | 0.327 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 175.4 | -69.2 | 173.9 | 4.5 | 0 | 0 | 111.9 | L54 E72 R73 I78 C79 L80 | L54-Q76 HydrophobicContact CD1-CB 3.96Å; L54-Q76 HydrophobicContact CD2-CB 4.16Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 2.76Å; E72-Q76 PolarHBondContact OE1-NE2 3.17Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å; R73-Q76 PolarHBondContact O-N 2.99Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 3.48Å; Q76-C79 PolarHBondContact O-N 3.35Å; Q76-L80 WeakPolarHBondContact O-CB 3.33Å; Q76-L80 PolarHBondContact O-N 2.97Å |
| 77 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L54 E55 R73 F74 G75 L80 L81 A87 | L54-A77 HydrophobicContact CB-CB 3.9Å; E55-A77 HydrophobicContact CG-CB 3.83Å; R73-A77 PolarHBondContact O-N 3.4Å; F74-A77 PolarHBondContact O-N 2.86Å; G75-A77 PolarHBondContact O-N 3.4Å; A77-L80 PolarHBondContact O-N 3.18Å; A77-L81 PolarHBondContact O-N 2.93Å; A77-A87 HydrophobicContact CB-CB 4.15Å |
| 78 | I | 98 | Very high | 96.6 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 176.2 | -70.1 | 165 | 0 | 0 | 0 | 111.5 | F74 G75 Q76 L80 L81 P82 A87 Y88 R91 | F74-I78 VanDerWaalsContact O-CG1 3.29Å; F74-I78 WeakPolarHBondContact O-CG1 3.37Å; F74-I78 PolarHBondContact O-N 3.35Å; G75-I78 PolarHBondContact O-N 3.37Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 3.48Å; I78-L80 PolarHBondContact O-N 3.01Å; I78-L81 CarbonylContact O-C 3.56Å; I78-L81 VanDerWaalsContact O-C 3.28Å; I78-P82 WeakPolarHBondContact O-CA 3.48Å; I78-P82 WeakPolarHBondContact O-CD 3.3Å; I78-P82 WeakPolarHBondContact O-CG 3.33Å; I78-A87 HydrophobicContact CD1-CB 4.47Å; I78-A87 HydrophobicContact CG1-CB 3.64Å; I78-Y88 HydrophobicContact CD1-CD1 3.86Å; I78-Y88 HydrophobicContact CD1-CD2 4.48Å; I78-Y88 HydrophobicContact CD1-CE1 4.02Å; I78-Y88 HydrophobicContact CD1-CG 4.11Å; I78-Y88 HydrophobicContact CG1-CD1 4.43Å; I78-Y88 HydrophobicContact CG1-CD2 4.29Å; I78-Y88 HydrophobicContact CG1-CE1 4.35Å; I78-Y88 HydrophobicContact CG1-CE2 4.19Å; I78-Y88 HydrophobicContact CG1-CG 4.42Å; I78-Y88 HydrophobicContact CG2-CE1 3.93Å; I78-Y88 HydrophobicContact CG2-CE2 4.17Å; I78-Y88 WeakPolarHBondContact CG2-OH 3.31Å; I78-R91 HydrophobicContact CD1-CB 4.3Å |
| 79 | C | 97.8 | Very high | 96.5 | Very high | 108 Ų | 108 | 38 Ų | 38 | 73% | 0.73 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63 | -34.6 | 175.1 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | G75 Q76 | G75-C79 PolarHBondContact O-N 3.15Å; G75-C79 PolarHBondContact O-SG 2.85Å; G75-C79 VanDerWaalsContact O-SG 3.36Å; Q76-C79 PolarHBondContact O-N 3.35Å |
| 80 | L | 96.8 | Very high | 96.3 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 23% | 0.225 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75.1 | -45.4 | 179.7 | -174 | 64.5 | 0 | 0 | 0 | 112.3 | Q47 Q50 L54 Q76 A77 I78 | Q47-L80 HydrophobicContact CB-CD1 4.48Å; Q47-L80 HydrophobicContact CB-CG 4.37Å; Q47-L80 HydrophobicContact CG-CD1 4.28Å; Q47-L80 WeakPolarHBondContact O-CD2 3.38Å; Q50-L80 HydrophobicContact CB-CD2 3.66Å; Q50-L80 HydrophobicContact CG-CD2 3.56Å; L54-L80 HydrophobicContact CD1-CD2 4.39Å; Q76-L80 WeakPolarHBondContact O-CB 3.33Å; Q76-L80 PolarHBondContact O-N 2.97Å; A77-L80 PolarHBondContact O-N 3.18Å; I78-L80 PolarHBondContact O-N 3.01Å |
| 81 | L | 96.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | trans | -130.2 | 84.1 | 176.7 | -69.2 | -178.7 | 0 | 0 | 0 | 110.9 | F43 Q47 L48 A77 I78 E83 R84 | F43-L81 HydrophobicContact CB-CD1 4.15Å; F43-L81 HydrophobicContact CB-CD2 4.44Å; F43-L81 HydrophobicContact CD1-CD1 4.37Å; F43-L81 HydrophobicContact CD1-CD2 4.03Å; F43-L81 HydrophobicContact CG-CD1 4.14Å; F43-L81 HydrophobicContact CG-CD2 4.46Å; Q47-L81 HydrophobicContact CB-CD2 3.97Å; Q47-L81 HydrophobicContact CB-CG 4.32Å; L48-L81 HydrophobicContact CB-CD1 4.34Å; L48-L81 HydrophobicContact CD1-CD1 4.21Å; A77-L81 PolarHBondContact O-N 2.93Å; I78-L81 CarbonylContact O-C 3.56Å; I78-L81 VanDerWaalsContact O-C 3.28Å; L81-E83 PolarHBondContact O-N 3.38Å; L81-E83 VanDerWaalsContact O-N 3.1Å; L81-R84 HydrophobicContact CB-CB 3.86Å; L81-R84 WeakPolarHBondContact O-CB 3.16Å; L81-R84 PolarHBondContact O-N 2.62Å; L81-R84 VanDerWaalsContact O-N 3.08Å | ||
| 82 | P | 96.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.7 | -175.8 | -23.3 | 33.5 | 0 | 0 | 0 | 114.9 | I78 Y88 | I78-P82 WeakPolarHBondContact O-CA 3.48Å; I78-P82 WeakPolarHBondContact O-CD 3.3Å; I78-P82 WeakPolarHBondContact O-CG 3.33Å; P82-Y88 VanDerWaalsContact O-CE2 3.23Å; P82-Y88 WeakPolarHBondContact O-CE2 3.39Å; P82-Y88 PolarHBondContact O-OH 3.42Å |
| 83 | E | 95.1 | Very high | 95.9 | Very high | 135 Ų | 135 | 37.2 Ų | 37.2 | 63% | 0.631 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -1.4 | -179.4 | -61.6 | -171.9 | 161.6 | 0 | 0 | 112.9 | F43 L81 A85 L114 | F43-E83 HydrophobicContact CE1-CB 4.06Å; F43-E83 HydrophobicContact CZ-CB 4.45Å; L81-E83 PolarHBondContact O-N 3.38Å; L81-E83 VanDerWaalsContact O-N 3.1Å; E83-A85 PolarHBondContact O-N 3.16Å; E83-L114 HydrophobicContact CB-CD2 4.27Å; E83-L114 HydrophobicContact CG-CD2 4.45Å |
| 84 | R | 93.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 33.6 Ų | 33.6 | 6% | 0.06 | 18% | 0.182 | C | C | . | . | trans | -82.6 | 103.4 | 179.2 | -165.1 | 173.2 | -165.2 | -103.2 | -13.6 | 110.9 | D40 F43 L48 E55 L81 S86 A87 Y88 | D40-R84 IonicContact OD1-CZ 2.76Å; D40-R84 IonicContact OD1-NE 2.93Å; D40-R84 PolarHBondContact OD1-NE 3.11Å; D40-R84 IonicContact OD1-NH2 3.17Å; D40-R84 PolarHBondContact OD1-NH2 2.87Å; D40-R84 IonicContact OD2-NH2 3.78Å; D40-R84 PolarHBondContact OD2-NH2 2.85Å; F43-R84 HydrophobicContact CE2-CB 4.43Å; F43-R84 HydrophobicContact CE2-CG 4.3Å; F43-R84 HydrophobicContact CZ-CB 4.27Å; L48-R84 VanDerWaalsContact CD1-NE 3.35Å; E55-R84 IonicContact OE1-CZ 2.72Å; E55-R84 IonicContact OE1-NH1 3.55Å; E55-R84 PolarHBondContact OE1-NH1 2.59Å; E55-R84 IonicContact OE2-NH1 3.94Å; E55-R84 PolarHBondContact OE2-NH1 3.16Å; L81-R84 HydrophobicContact CB-CB 3.86Å; L81-R84 WeakPolarHBondContact O-CB 3.16Å; L81-R84 PolarHBondContact O-N 2.62Å; L81-R84 VanDerWaalsContact O-N 3.08Å; R84-S86 VanDerWaalsContact C-N 3.26Å; R84-S86 PolarHBondContact NH1-OG 3.4Å; R84-S86 PolarHBondContact O-N 3.46Å; R84-A87 PolarHBondContact O-N 2.93Å; R84-Y88 WeakPolarHBondContact O-CD2 3.41Å | ||
| 85 | A | 94.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -29.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E83 A87 Y88 N89 A111 L114 A121 | E83-A85 PolarHBondContact O-N 3.16Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 2.83Å; A85-Y88 PolarHBondContact O-N 2.62Å; A85-N89 PolarHBondContact O-N 3.28Å; A85-A111 HydrophobicContact CB-CB 4.4Å; A85-L114 HydrophobicContact CB-CB 3.97Å; A85-A121 HydrophobicContact CB-CB 3.55Å |
| 86 | S | 92.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | -178.4 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | E55 R84 Y88 N89 N90 | E55-S86 WeakPolarHBondContact OE2-CB 3.38Å; E55-S86 PolarHBondContact OE2-OG 3.25Å; R84-S86 VanDerWaalsContact C-N 3.26Å; R84-S86 PolarHBondContact NH1-OG 3.4Å; R84-S86 PolarHBondContact O-N 3.46Å; S86-Y88 VanDerWaalsContact C-N 3.32Å; S86-Y88 PolarHBondContact O-N 3.42Å; S86-N89 WeakPolarHBondContact O-CB 3.33Å; S86-N89 PolarHBondContact O-N 3.36Å; S86-N89 VanDerWaalsContact O-N 3.16Å; S86-N90 PolarHBondContact O-N 3.3Å; S86-N90 PolarHBondContact O-ND2 3.29Å |
| 87 | A | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -37 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E55 A77 I78 R84 A85 N90 R91 | E55-A87 HydrophobicContact CG-CB 4.13Å; E55-A87 PolarHBondContact OE2-N 3.36Å; A77-A87 HydrophobicContact CB-CB 4.15Å; I78-A87 HydrophobicContact CD1-CB 4.47Å; I78-A87 HydrophobicContact CG1-CB 3.64Å; R84-A87 PolarHBondContact O-N 2.93Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 2.83Å; A87-N90 PolarHBondContact O-N 2.7Å; A87-R91 WeakPolarHBondContact O-CB 3.48Å; A87-R91 PolarHBondContact O-N 3.06Å |
| 88 | Y | 97.9 | Very high | 94 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 9% | 0.09 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | 172.2 | -66 | -89.5 | 0 | 0 | 0 | 112.1 | I78 P82 R84 A85 S86 N90 R91 A92 D107 R110 L114 | I78-Y88 HydrophobicContact CD1-CD1 3.86Å; I78-Y88 HydrophobicContact CD1-CD2 4.48Å; I78-Y88 HydrophobicContact CD1-CE1 4.02Å; I78-Y88 HydrophobicContact CD1-CG 4.11Å; I78-Y88 HydrophobicContact CG1-CD1 4.43Å; I78-Y88 HydrophobicContact CG1-CD2 4.29Å; I78-Y88 HydrophobicContact CG1-CE1 4.35Å; I78-Y88 HydrophobicContact CG1-CE2 4.19Å; I78-Y88 HydrophobicContact CG1-CG 4.42Å; I78-Y88 HydrophobicContact CG2-CE1 3.93Å; I78-Y88 HydrophobicContact CG2-CE2 4.17Å; I78-Y88 WeakPolarHBondContact CG2-OH 3.31Å; P82-Y88 VanDerWaalsContact O-CE2 3.23Å; P82-Y88 WeakPolarHBondContact O-CE2 3.39Å; P82-Y88 PolarHBondContact O-OH 3.42Å; R84-Y88 WeakPolarHBondContact O-CD2 3.41Å; A85-Y88 PolarHBondContact O-N 2.62Å; S86-Y88 VanDerWaalsContact C-N 3.32Å; S86-Y88 PolarHBondContact O-N 3.42Å; Y88-N90 VanDerWaalsContact C-N 3.31Å; Y88-N90 PolarHBondContact O-N 2.91Å; Y88-R91 PolarHBondContact O-N 2.86Å; Y88-A92 WeakPolarHBondContact O-CB 3.49Å; Y88-A92 PolarHBondContact O-N 2.88Å; Y88-D107 WeakPolarHBondContact CB-O 3.49Å; Y88-R110 HydrophobicContact CD1-CB 4.03Å; Y88-R110 HydrophobicContact CD1-CG 3.88Å; Y88-R110 HydrophobicContact CD2-CG 4.48Å; Y88-R110 HydrophobicContact CE1-CB 4.23Å; Y88-R110 HydrophobicContact CE1-CG 3.61Å; Y88-R110 HydrophobicContact CE2-CG 4.26Å; Y88-R110 HydrophobicContact CG-CB 4.45Å; Y88-R110 HydrophobicContact CG-CG 4.29Å; Y88-L114 HydrophobicContact CD2-CD1 3.75Å; Y88-L114 HydrophobicContact CE2-CD1 3.43Å; Y88-L114 VanDerWaalsContact CE2-CD1 3.43Å |
| 89 | N | 94.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 174.9 | -88.8 | -29.7 | 0 | 0 | 0 | 112.5 | A85 S86 A92 Q93 L108 A121 S125 | A85-N89 PolarHBondContact O-N 3.28Å; S86-N89 WeakPolarHBondContact O-CB 3.33Å; S86-N89 PolarHBondContact O-N 3.36Å; S86-N89 VanDerWaalsContact O-N 3.16Å; N89-A92 PolarHBondContact O-N 3.38Å; N89-Q93 PolarHBondContact O-N 3.41Å; N89-Q93 VanDerWaalsContact O-N 3.17Å; N89-L108 WeakPolarHBondContact OD1-CD2 3.4Å; N89-A121 PolarHBondContact ND2-O 2.85Å; N89-S125 VanDerWaalsContact CG-OG 3.25Å; N89-S125 PolarHBondContact ND2-OG 3.37Å; N89-S125 VanDerWaalsContact ND2-OG 3.16Å; N89-S125 WeakPolarHBondContact OD1-CA 3.31Å; N89-S125 WeakPolarHBondContact OD1-CB 3.27Å; N89-S125 PolarHBondContact OD1-OG 3.16Å |
| 90 | N | 92.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 179 | -67.4 | -26.2 | 0 | 0 | 0 | 111.1 | E55 F74 S86 A87 Y88 A92 Q93 A94 | E55-N90 PolarHBondContact OE2-ND2 2.72Å; E55-N90 VanDerWaalsContact OE2-ND2 3.15Å; F74-N90 HydrophobicContact CD1-CB 3.7Å; F74-N90 HydrophobicContact CD2-CB 4.45Å; F74-N90 HydrophobicContact CE1-CB 3.38Å; F74-N90 HydrophobicContact CE2-CB 4.17Å; F74-N90 HydrophobicContact CG-CB 4.24Å; F74-N90 HydrophobicContact CZ-CB 3.65Å; S86-N90 PolarHBondContact O-N 3.3Å; S86-N90 PolarHBondContact O-ND2 3.29Å; A87-N90 PolarHBondContact O-N 2.7Å; Y88-N90 VanDerWaalsContact C-N 3.31Å; Y88-N90 PolarHBondContact O-N 2.91Å; N90-A92 PolarHBondContact O-N 3.05Å; N90-Q93 WeakPolarHBondContact O-CB 3.41Å; N90-Q93 PolarHBondContact O-N 3.08Å; N90-A94 PolarHBondContact O-N 3.28Å |
| 91 | R | 97.8 | Very high | 93 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.2 | -162.9 | 170.6 | 69.8 | -176.2 | -1.4 | 112.3 | L71 F74 I78 A87 Y88 Q93 A94 R95 D107 | L71-R91 HydrophobicContact CD2-CG 3.65Å; F74-R91 HydrophobicContact CB-CB 3.77Å; F74-R91 HydrophobicContact CB-CG 4.02Å; F74-R91 HydrophobicContact CD2-CB 4.29Å; F74-R91 HydrophobicContact CG-CB 4.28Å; I78-R91 HydrophobicContact CD1-CB 4.3Å; A87-R91 WeakPolarHBondContact O-CB 3.48Å; A87-R91 PolarHBondContact O-N 3.06Å; Y88-R91 PolarHBondContact O-N 2.86Å; R91-Q93 VanDerWaalsContact C-N 3.25Å; R91-Q93 PolarHBondContact O-N 3.23Å; R91-A94 PolarHBondContact O-N 3.12Å; R91-A94 VanDerWaalsContact O-N 3.14Å; R91-R95 HydrophobicContact CG-CG 4.44Å; R91-R95 WeakPolarHBondContact O-CG 3.46Å; R91-R95 PolarHBondContact O-N 3.06Å; R91-D107 WeakPolarHBondContact CB-OD2 3.49Å; R91-D107 WeakPolarHBondContact CG-OD2 3.38Å; R91-D107 IonicContact CZ-OD1 3.43Å; R91-D107 IonicContact CZ-OD2 3.62Å; R91-D107 IonicContact NE-OD1 2.62Å; R91-D107 PolarHBondContact NE-OD1 2.98Å; R91-D107 IonicContact NE-OD2 3.72Å; R91-D107 PolarHBondContact NE-OD2 3.3Å; R91-D107 IonicContact NH2-OD1 2.66Å; R91-D107 PolarHBondContact NH2-OD1 3.26Å; R91-D107 IonicContact NH2-OD2 3.61Å |
| 92 | A | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y88 N89 N90 R95 R96 A104 D107 L108 | Y88-A92 WeakPolarHBondContact O-CB 3.49Å; Y88-A92 PolarHBondContact O-N 2.88Å; N89-A92 PolarHBondContact O-N 3.38Å; N90-A92 PolarHBondContact O-N 3.05Å; A92-R95 PolarHBondContact O-N 2.91Å; A92-R96 WeakPolarHBondContact O-CB 2.99Å; A92-R96 PolarHBondContact O-N 3.04Å; A92-A104 HydrophobicContact CB-CB 4.34Å; A92-A104 WeakPolarHBondContact CB-O 3.44Å; A92-A104 WeakPolarHBondContact O-CB 3.36Å; A92-D107 HydrophobicContact CB-CB 3.76Å; A92-L108 HydrophobicContact CB-CD1 4.21Å; A92-L108 HydrophobicContact CB-CD2 3.7Å; A92-L108 HydrophobicContact CB-CG 3.57Å |
| 93 | Q | 89.8 | Confident | 93.1 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 176.2 | -169.2 | 168.6 | -10 | 0 | 0 | 111.5 | N89 N90 R91 R96 L97 | N89-Q93 PolarHBondContact O-N 3.41Å; N89-Q93 VanDerWaalsContact O-N 3.17Å; N90-Q93 WeakPolarHBondContact O-CB 3.41Å; N90-Q93 PolarHBondContact O-N 3.08Å; R91-Q93 VanDerWaalsContact C-N 3.25Å; R91-Q93 PolarHBondContact O-N 3.23Å; Q93-R96 PolarHBondContact O-N 3.49Å; Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 3.37Å |
| 94 | A | 90.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A70 L71 F74 N90 R91 R96 L97 Q98 | A70-A94 HydrophobicContact CB-CB 4.35Å; L71-A94 HydrophobicContact CD2-CB 3.68Å; L71-A94 HydrophobicContact CG-CB 4.08Å; F74-A94 HydrophobicContact CD2-CB 4.21Å; F74-A94 HydrophobicContact CE2-CB 3.98Å; N90-A94 PolarHBondContact O-N 3.28Å; R91-A94 PolarHBondContact O-N 3.12Å; R91-A94 VanDerWaalsContact O-N 3.14Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.12Å; A94-L97 WeakPolarHBondContact O-CB 3.34Å; A94-L97 PolarHBondContact O-N 3.21Å; A94-L97 VanDerWaalsContact O-N 3.13Å; A94-Q98 PolarHBondContact O-N 3.49Å |
| 95 | R | 92.9 | Very high | 93.3 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 174.8 | -74.9 | -174.6 | 171.1 | 174.1 | -7.2 | 111.8 | L71 R91 A92 L97 Q98 G99 D100 G103 A104 D107 | L71-R95 HydrophobicContact CD2-CG 3.6Å; R91-R95 HydrophobicContact CG-CG 4.44Å; R91-R95 WeakPolarHBondContact O-CG 3.46Å; R91-R95 PolarHBondContact O-N 3.06Å; A92-R95 PolarHBondContact O-N 2.91Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.04Å; R95-Q98 CarbonylContact O-C 3.55Å; R95-Q98 WeakPolarHBondContact O-CB 3.09Å; R95-Q98 PolarHBondContact O-N 3.48Å; R95-Q98 VanDerWaalsContact O-N 3.13Å; R95-G99 PolarHBondContact O-N 2.9Å; R95-G99 VanDerWaalsContact O-N 3.09Å; R95-D100 CarbonylContact C-O 3.28Å; R95-D100 HydrophobicContact CB-CB 4.21Å; R95-D100 IonicContact NE-OD2 2.93Å; R95-D100 PolarHBondContact O-N 2.98Å; R95-G103 VanDerWaalsContact CD-C 3.44Å; R95-G103 WeakPolarHBondContact CD-O 3.34Å; R95-G103 PolarHBondContact NH1-O 3.16Å; R95-A104 HydrophobicContact CB-CB 4.01Å; R95-D107 WeakPolarHBondContact CD-OD2 3.11Å; R95-D107 IonicContact CZ-OD1 2.89Å; R95-D107 IonicContact CZ-OD2 3.93Å; R95-D107 IonicContact NE-OD2 3.97Å; R95-D107 IonicContact NH1-OD1 3.06Å; R95-D107 PolarHBondContact NH1-OD1 3.14Å; R95-D107 VanDerWaalsContact NH1-OD1 3.1Å; R95-D107 IonicContact NH1-OD2 3.84Å; R95-D107 PolarHBondContact NH1-OD2 3.3Å |
| 96 | R | 90.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59 | -44.1 | 174.1 | 179.7 | -179.5 | 76.3 | 127.2 | 4.8 | 112 | A92 Q93 A94 Q98 G99 A104 L132 | A92-R96 WeakPolarHBondContact O-CB 2.99Å; A92-R96 PolarHBondContact O-N 3.04Å; Q93-R96 PolarHBondContact O-N 3.49Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.12Å; R96-Q98 VanDerWaalsContact C-N 3.26Å; R96-Q98 PolarHBondContact O-N 3.17Å; R96-G99 PolarHBondContact O-N 3.13Å; R96-A104 HydrophobicContact CB-CB 4.2Å; R96-L132 HydrophobicContact CG-CD2 3.68Å |
| 97 | L | 87 | Confident | 93.8 | Very high | 97 Ų | 97 | 44 Ų | 44 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -31.2 | 177.6 | -69.5 | 172.2 | 0 | 0 | 0 | 112.2 | L67 Q93 A94 R95 G99 | L67-L97 HydrophobicContact CD1-CB 3.89Å; L67-L97 HydrophobicContact CD2-CB 3.87Å; L67-L97 HydrophobicContact CD2-CD1 4.09Å; Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 3.37Å; A94-L97 WeakPolarHBondContact O-CB 3.34Å; A94-L97 PolarHBondContact O-N 3.21Å; A94-L97 VanDerWaalsContact O-N 3.13Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.04Å; L97-G99 PolarHBondContact O-N 2.95Å |
| 98 | Q | 88.9 | Confident | 93.9 | Very high | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -76.5 | -10.5 | 173.3 | -162.2 | -177.9 | -2 | 0 | 0 | 113 | L67 A94 R95 R96 | L67-Q98 HydrophobicContact CD1-CB 4.05Å; A94-Q98 PolarHBondContact O-N 3.49Å; R95-Q98 CarbonylContact O-C 3.55Å; R95-Q98 WeakPolarHBondContact O-CB 3.09Å; R95-Q98 PolarHBondContact O-N 3.48Å; R95-Q98 VanDerWaalsContact O-N 3.13Å; R96-Q98 VanDerWaalsContact C-N 3.26Å; R96-Q98 PolarHBondContact O-N 3.17Å |
| 99 | G | 87.3 | Confident | 93.9 | Very high | 55 Ų | 55 | 47.5 Ų | 47.5 | 57% | 0.567 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 0.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R95 R96 L97 V101 | R95-G99 PolarHBondContact O-N 2.9Å; R95-G99 VanDerWaalsContact O-N 3.09Å; R96-G99 PolarHBondContact O-N 3.13Å; L97-G99 PolarHBondContact O-N 2.95Å; G99-V101 VanDerWaalsContact C-N 3.28Å; G99-V101 PolarHBondContact O-N 3.31Å |
| 100 | D | 94.6 | Very high | 94.1 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 35% | 0.348 | 27% | 0.27 | S | S | . | . | trans | -78.9 | 77.4 | 172 | 179 | 19.7 | 0 | 0 | 0 | 110.5 | R95 A102 G103 A104 | R95-D100 CarbonylContact C-O 3.28Å; R95-D100 HydrophobicContact CB-CB 4.21Å; R95-D100 IonicContact NE-OD2 2.93Å; R95-D100 PolarHBondContact O-N 2.98Å; D100-A102 VanDerWaalsContact C-N 3.34Å; D100-G103 PolarHBondContact OD1-N 3.22Å; D100-G103 WeakPolarHBondContact OD2-CA 3.22Å; D100-A104 WeakPolarHBondContact O-CB 3.29Å; D100-A104 PolarHBondContact O-N 3.16Å; D100-A104 VanDerWaalsContact O-N 3.1Å | ||
| 101 | V | 91 | Very high | 94.3 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70 | -33.2 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | G99 A104 L105 L132 | G99-V101 VanDerWaalsContact C-N 3.28Å; G99-V101 PolarHBondContact O-N 3.31Å; V101-A104 PolarHBondContact O-N 3.48Å; V101-L105 HydrophobicContact CG1-CD1 4.34Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.25Å; V101-L132 HydrophobicContact CG1-CD1 4.5Å; V101-L132 HydrophobicContact CG1-CD2 3.97Å; V101-L132 HydrophobicContact CG2-CD2 4.4Å |
| 102 | A | 97 | Very high | 94.2 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.8 | -52.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D100 A104 L105 E106 | D100-A102 VanDerWaalsContact C-N 3.34Å; A102-A104 PolarHBondContact O-N 3.01Å; A102-L105 PolarHBondContact O-N 3.49Å; A102-E106 PolarHBondContact O-N 2.88Å |
| 103 | G | 97.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -28.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R95 D100 D107 | R95-G103 VanDerWaalsContact CD-C 3.44Å; R95-G103 WeakPolarHBondContact CD-O 3.34Å; R95-G103 PolarHBondContact NH1-O 3.16Å; D100-G103 PolarHBondContact OD1-N 3.22Å; D100-G103 WeakPolarHBondContact OD2-CA 3.22Å; G103-D107 PolarHBondContact O-N 3.24Å |
| 104 | A | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | A92 R95 R96 D100 V101 A102 D107 L108 L132 | A92-A104 HydrophobicContact CB-CB 4.34Å; A92-A104 WeakPolarHBondContact CB-O 3.44Å; A92-A104 WeakPolarHBondContact O-CB 3.36Å; R95-A104 HydrophobicContact CB-CB 4.01Å; R96-A104 HydrophobicContact CB-CB 4.2Å; D100-A104 WeakPolarHBondContact O-CB 3.29Å; D100-A104 PolarHBondContact O-N 3.16Å; D100-A104 VanDerWaalsContact O-N 3.1Å; V101-A104 PolarHBondContact O-N 3.48Å; A102-A104 PolarHBondContact O-N 3.01Å; A104-D107 PolarHBondContact O-N 3.09Å; A104-L108 WeakPolarHBondContact O-CD1 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.4Å; A104-L108 PolarHBondContact O-N 3.28Å; A104-L132 HydrophobicContact CB-CD1 4.29Å |
| 105 | L | 97.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 177.8 | -73.3 | 171.6 | 0 | 0 | 0 | 112.1 | V101 A102 D107 L108 E109 R129 L132 | V101-L105 HydrophobicContact CG1-CD1 4.34Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.25Å; A102-L105 PolarHBondContact O-N 3.49Å; L105-D107 PolarHBondContact O-N 2.86Å; L105-L108 PolarHBondContact O-N 3.35Å; L105-E109 WeakPolarHBondContact O-CG 3.36Å; L105-E109 PolarHBondContact O-N 2.94Å; L105-R129 HydrophobicContact CD2-CG 4.23Å; L105-L132 HydrophobicContact CD2-CB 4.36Å; L105-L132 HydrophobicContact CD2-CD1 3.75Å; L105-L132 HydrophobicContact CG-CD1 4.06Å |
| 106 | E | 98.3 | Very high | 94.5 | Very high | 125 Ų | 125 | 55 Ų | 55 | 58% | 0.584 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.1 | -46.4 | 175 | -70.8 | 175.2 | -173.8 | 0 | 0 | 111.8 | A102 L108 E109 R110 | A102-E106 PolarHBondContact O-N 2.88Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.04Å; E106-E109 PolarHBondContact O-N 2.86Å; E106-R110 PolarHBondContact O-N 3.25Å |
| 107 | D | 98.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.4 | -79.9 | -13.5 | 0 | 0 | 0 | 112.1 | Y88 R91 A92 R95 G103 A104 L105 R110 A111 | Y88-D107 WeakPolarHBondContact CB-O 3.49Å; R91-D107 WeakPolarHBondContact CB-OD2 3.49Å; R91-D107 WeakPolarHBondContact CG-OD2 3.38Å; R91-D107 IonicContact CZ-OD1 3.43Å; R91-D107 IonicContact CZ-OD2 3.62Å; R91-D107 IonicContact NE-OD1 2.62Å; R91-D107 PolarHBondContact NE-OD1 2.98Å; R91-D107 IonicContact NE-OD2 3.72Å; R91-D107 PolarHBondContact NE-OD2 3.3Å; R91-D107 IonicContact NH2-OD1 2.66Å; R91-D107 PolarHBondContact NH2-OD1 3.26Å; R91-D107 IonicContact NH2-OD2 3.61Å; A92-D107 HydrophobicContact CB-CB 3.76Å; R95-D107 WeakPolarHBondContact CD-OD2 3.11Å; R95-D107 IonicContact CZ-OD1 2.89Å; R95-D107 IonicContact CZ-OD2 3.93Å; R95-D107 IonicContact NE-OD2 3.97Å; R95-D107 IonicContact NH1-OD1 3.06Å; R95-D107 PolarHBondContact NH1-OD1 3.14Å; R95-D107 VanDerWaalsContact NH1-OD1 3.1Å; R95-D107 IonicContact NH1-OD2 3.84Å; R95-D107 PolarHBondContact NH1-OD2 3.3Å; G103-D107 PolarHBondContact O-N 3.24Å; A104-D107 PolarHBondContact O-N 3.09Å; L105-D107 PolarHBondContact O-N 2.86Å; D107-R110 PolarHBondContact O-N 2.95Å; D107-A111 WeakPolarHBondContact O-CB 3.31Å; D107-A111 PolarHBondContact O-N 3.4Å |
| 108 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 178 | -66.3 | 165.5 | 0 | 0 | 0 | 112 | N89 A92 A104 L105 E106 V112 Q128 R129 L132 | N89-L108 WeakPolarHBondContact OD1-CD2 3.4Å; A92-L108 HydrophobicContact CB-CD1 4.21Å; A92-L108 HydrophobicContact CB-CD2 3.7Å; A92-L108 HydrophobicContact CB-CG 3.57Å; A104-L108 WeakPolarHBondContact O-CD1 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.4Å; A104-L108 PolarHBondContact O-N 3.28Å; L105-L108 PolarHBondContact O-N 3.35Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.04Å; L108-V112 VanDerWaalsContact O-CG2 3.31Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.49Å; L108-V112 VanDerWaalsContact O-N 3.11Å; L108-Q128 HydrophobicContact CD1-CB 3.78Å; L108-Q128 HydrophobicContact CD2-CB 3.67Å; L108-Q128 HydrophobicContact CD2-CG 4.25Å; L108-Q128 HydrophobicContact CG-CB 4.42Å; L108-R129 HydrophobicContact CB-CG 3.7Å; L108-R129 HydrophobicContact CD1-CG 3.79Å; L108-R129 HydrophobicContact CG-CG 4.29Å; L108-L132 HydrophobicContact CD1-CD1 3.79Å |
| 109 | E | 98.1 | Very high | 94.6 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 172 | -79.4 | 176.9 | 179.4 | 0 | 0 | 110.7 | L105 E106 A111 V112 E113 R129 | L105-E109 WeakPolarHBondContact O-CG 3.36Å; L105-E109 PolarHBondContact O-N 2.94Å; E106-E109 PolarHBondContact O-N 2.86Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3.02Å; E109-V112 PolarHBondContact O-N 3.45Å; E109-V112 VanDerWaalsContact O-N 3.15Å; E109-E113 WeakPolarHBondContact O-CG 3.03Å; E109-E113 PolarHBondContact O-N 3.39Å; E109-R129 IonicContact OE1-NH1 3.72Å |
| 110 | R | 98.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 177.2 | -170.6 | 56.3 | 178 | 168.2 | 2.8 | 112.6 | Y88 E106 D107 V112 E113 L114 | Y88-R110 HydrophobicContact CD1-CB 4.03Å; Y88-R110 HydrophobicContact CD1-CG 3.88Å; Y88-R110 HydrophobicContact CD2-CG 4.48Å; Y88-R110 HydrophobicContact CE1-CB 4.23Å; Y88-R110 HydrophobicContact CE1-CG 3.61Å; Y88-R110 HydrophobicContact CE2-CG 4.26Å; Y88-R110 HydrophobicContact CG-CB 4.45Å; Y88-R110 HydrophobicContact CG-CG 4.29Å; E106-R110 PolarHBondContact O-N 3.25Å; D107-R110 PolarHBondContact O-N 2.95Å; R110-V112 VanDerWaalsContact C-N 3.34Å; R110-V112 PolarHBondContact O-N 2.65Å; R110-E113 IonicContact CZ-OE2 3.62Å; R110-E113 IonicContact NH1-OE2 3.46Å; R110-E113 PolarHBondContact NH1-OE2 3.47Å; R110-E113 PolarHBondContact O-N 2.87Å; R110-L114 HydrophobicContact CG-CD1 4.05Å; R110-L114 HydrophobicContact CG-CG 4.43Å; R110-L114 WeakPolarHBondContact O-CB 3.4Å; R110-L114 VanDerWaalsContact O-CG 3.27Å; R110-L114 WeakPolarHBondContact O-CG 3.47Å; R110-L114 PolarHBondContact O-N 3.45Å |
| 111 | A | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A85 D107 E109 S115 S125 | A85-A111 HydrophobicContact CB-CB 4.4Å; D107-A111 WeakPolarHBondContact O-CB 3.31Å; D107-A111 PolarHBondContact O-N 3.4Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3.02Å; A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 3.23Å; A111-S125 WeakPolarHBondContact CB-OG 3.48Å |
| 112 | V | 96.6 | Very high | 94.4 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 177 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L108 E109 R110 G116 G117 S125 F126 | L108-V112 VanDerWaalsContact O-CG2 3.31Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.49Å; L108-V112 VanDerWaalsContact O-N 3.11Å; E109-V112 PolarHBondContact O-N 3.45Å; E109-V112 VanDerWaalsContact O-N 3.15Å; R110-V112 VanDerWaalsContact C-N 3.34Å; R110-V112 PolarHBondContact O-N 2.65Å; V112-G116 PolarHBondContact O-N 3.43Å; V112-G116 VanDerWaalsContact O-N 3.11Å; V112-G117 PolarHBondContact O-N 3.33Å; V112-S125 VanDerWaalsContact CG2-CB 3.45Å; V112-F126 HydrophobicContact CG1-CE1 4.01Å; V112-F126 HydrophobicContact CG1-CZ 3.77Å; V112-F126 HydrophobicContact CG2-CD1 4.31Å; V112-F126 HydrophobicContact CG2-CE1 3.92Å; V112-F126 HydrophobicContact CG2-CZ 4.13Å |
| 113 | E | 96.8 | Very high | 94.3 | Very high | 125 Ų | 125 | 47.8 Ų | 47.8 | 58% | 0.584 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.5 | -51.1 | 175.6 | -72.6 | 176.4 | 177 | 0 | 0 | 111.3 | E109 R110 S115 G116 | E109-E113 WeakPolarHBondContact O-CG 3.03Å; E109-E113 PolarHBondContact O-N 3.39Å; R110-E113 IonicContact CZ-OE2 3.62Å; R110-E113 IonicContact NH1-OE2 3.46Å; R110-E113 PolarHBondContact NH1-OE2 3.47Å; R110-E113 PolarHBondContact O-N 2.87Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.1Å; E113-G116 PolarHBondContact O-N 3.19Å; E113-G116 VanDerWaalsContact O-N 3.07Å |
| 114 | L | 94.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -37.4 | -177.8 | -71.6 | 173.4 | 0 | 0 | 0 | 112.3 | E83 A85 Y88 R110 G116 | E83-L114 HydrophobicContact CB-CD2 4.27Å; E83-L114 HydrophobicContact CG-CD2 4.45Å; A85-L114 HydrophobicContact CB-CB 3.97Å; Y88-L114 HydrophobicContact CD2-CD1 3.75Å; Y88-L114 HydrophobicContact CE2-CD1 3.43Å; Y88-L114 VanDerWaalsContact CE2-CD1 3.43Å; R110-L114 HydrophobicContact CG-CD1 4.05Å; R110-L114 HydrophobicContact CG-CG 4.43Å; R110-L114 WeakPolarHBondContact O-CB 3.4Å; R110-L114 VanDerWaalsContact O-CG 3.27Å; R110-L114 WeakPolarHBondContact O-CG 3.47Å; R110-L114 PolarHBondContact O-N 3.45Å; L114-G116 VanDerWaalsContact C-N 3.28Å; L114-G116 PolarHBondContact O-N 3.38Å |
| 115 | S | 91.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0.1 | 177.9 | 95.6 | 0 | 0 | 0 | 0 | 113.4 | A111 E113 G117 R118 A122 | A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 3.23Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.1Å; S115-G117 PolarHBondContact O-N 3.13Å; S115-R118 WeakPolarHBondContact CB-O 3.47Å; S115-R118 WeakPolarHBondContact O-CG 3.41Å; S115-R118 PolarHBondContact O-N 2.94Å; S115-R118 PolarHBondContact OG-O 2.89Å; S115-A122 WeakPolarHBondContact OG-CB 3.49Å; S115-A122 PolarHBondContact OG-N 3.25Å |
| 116 | G | 93.2 | Very high | 93.9 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 61% | 0.608 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 27.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V112 E113 L114 R118 | V112-G116 PolarHBondContact O-N 3.43Å; V112-G116 VanDerWaalsContact O-N 3.11Å; E113-G116 PolarHBondContact O-N 3.19Å; E113-G116 VanDerWaalsContact O-N 3.07Å; L114-G116 VanDerWaalsContact C-N 3.28Å; L114-G116 PolarHBondContact O-N 3.38Å; G116-R118 PolarHBondContact O-N 3.35Å |
| 117 | G | 91.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 13.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V112 S115 | V112-G117 PolarHBondContact O-N 3.33Å; S115-G117 PolarHBondContact O-N 3.13Å |
| 118 | R | 88.6 | Confident | 93.4 | Very high | 185 Ų | 185 | 44.6 Ų | 44.6 | 70% | 0.698 | 22% | 0.222 | S | C | * | . | trans | -124.1 | 170.8 | 178.4 | 58.2 | 174.3 | 177.8 | 174.9 | 1.4 | 111.9 | S115 G116 A122 | S115-R118 WeakPolarHBondContact CB-O 3.47Å; S115-R118 WeakPolarHBondContact O-CG 3.41Å; S115-R118 PolarHBondContact O-N 2.94Å; S115-R118 PolarHBondContact OG-O 2.89Å; G116-R118 PolarHBondContact O-N 3.35Å; R118-A122 WeakPolarHBondContact O-CB 3.05Å | ||
| 119 | G | 88.1 | Confident | 93.4 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | 72.8 | -168.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E39 R123 | E39-G119 VanDerWaalsContact OE1-CA 3.29Å; E39-G119 WeakPolarHBondContact OE1-CA 3.48Å; G119-R123 WeakPolarHBondContact O-CB 3.37Å; G119-R123 PolarHBondContact O-N 3.46Å |
| 120 | R | 86.9 | Confident | 93.2 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.7 | -42.7 | -171.6 | -177.3 | -178.1 | 175.4 | 178.8 | -4.4 | 111.4 | E36 E39 R123 Q124 | E36-R120 VanDerWaalsContact OE1-CD 3.27Å; E36-R120 WeakPolarHBondContact OE1-CD 3.47Å; E36-R120 IonicContact OE1-CZ 3.58Å; E36-R120 VanDerWaalsContact OE1-CZ 3.31Å; E36-R120 IonicContact OE1-NE 2.9Å; E36-R120 IonicContact OE1-NH1 3.31Å; E36-R120 PolarHBondContact OE1-NH1 2.89Å; E36-R120 VanDerWaalsContact OE2-CD 3.31Å; E36-R120 WeakPolarHBondContact OE2-CD 3.47Å; E36-R120 IonicContact OE2-CZ 3.84Å; E36-R120 IonicContact OE2-NE 2.66Å; E36-R120 IonicContact OE2-NH1 3.56Å; E36-R120 PolarHBondContact OE2-NH1 3Å; E39-R120 PolarHBondContact OE1-N 2.95Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.18Å; R120-Q124 WeakPolarHBondContact O-CG 3.41Å; R120-Q124 PolarHBondContact O-N 3.44Å |
| 121 | A | 89 | Confident | 92.8 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -53.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A85 N89 R123 Q124 S125 | A85-A121 HydrophobicContact CB-CB 3.55Å; N89-A121 PolarHBondContact ND2-O 2.85Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 3.17Å; A121-Q124 PolarHBondContact O-N 2.86Å; A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 PolarHBondContact O-OG 2.94Å |
| 122 | A | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S115 R118 Q124 S125 F126 L152 | S115-A122 WeakPolarHBondContact OG-CB 3.49Å; S115-A122 PolarHBondContact OG-N 3.25Å; R118-A122 WeakPolarHBondContact O-CB 3.05Å; A122-Q124 VanDerWaalsContact C-N 3.31Å; A122-Q124 PolarHBondContact O-N 2.98Å; A122-S125 PolarHBondContact O-N 3.17Å; A122-F126 HydrophobicContact CB-CD2 4.19Å; A122-F126 HydrophobicContact CB-CE2 3.85Å; A122-F126 WeakPolarHBondContact O-CB 3.44Å; A122-F126 WeakPolarHBondContact O-CD2 3.49Å; A122-F126 WeakPolarHBondContact O-CG 3.4Å; A122-F126 PolarHBondContact O-N 3.38Å; A122-L152 HydrophobicContact CB-CD1 3.91Å |
| 123 | R | 93.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 177.8 | -179 | -178 | 65.9 | 96.3 | -7.3 | 111.2 | G119 R120 A121 V127 L152 | G119-R123 WeakPolarHBondContact O-CB 3.37Å; G119-R123 PolarHBondContact O-N 3.46Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.18Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 3.17Å; R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.47Å; R123-L152 HydrophobicContact CB-CB 3.83Å; R123-L152 HydrophobicContact CB-CD1 3.93Å; R123-L152 WeakPolarHBondContact CD-O 3.46Å; R123-L152 HydrophobicContact CG-CB 3.99Å |
| 124 | Q | 89.7 | Confident | 91.6 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65 | -43.2 | 176.3 | -71.5 | 173.4 | -35.9 | 0 | 0 | 111.4 | R120 A121 A122 F126 V127 Q128 | R120-Q124 WeakPolarHBondContact O-CG 3.41Å; R120-Q124 PolarHBondContact O-N 3.44Å; A121-Q124 PolarHBondContact O-N 2.86Å; A122-Q124 VanDerWaalsContact C-N 3.31Å; A122-Q124 PolarHBondContact O-N 2.98Å; Q124-F126 PolarHBondContact O-N 3.16Å; Q124-V127 PolarHBondContact O-N 3.36Å; Q124-Q128 WeakPolarHBondContact O-CG 3.35Å; Q124-Q128 PolarHBondContact O-N 3.18Å |
| 125 | S | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | -179.6 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | N89 A111 V112 A121 A122 V127 Q128 R129 | N89-S125 VanDerWaalsContact CG-OG 3.25Å; N89-S125 PolarHBondContact ND2-OG 3.37Å; N89-S125 VanDerWaalsContact ND2-OG 3.16Å; N89-S125 WeakPolarHBondContact OD1-CA 3.31Å; N89-S125 WeakPolarHBondContact OD1-CB 3.27Å; N89-S125 PolarHBondContact OD1-OG 3.16Å; A111-S125 WeakPolarHBondContact CB-OG 3.48Å; V112-S125 VanDerWaalsContact CG2-CB 3.45Å; A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 PolarHBondContact O-OG 2.94Å; A122-S125 PolarHBondContact O-N 3.17Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.39Å; S125-Q128 PolarHBondContact O-N 3.03Å; S125-R129 WeakPolarHBondContact O-CB 3.33Å; S125-R129 WeakPolarHBondContact O-CG 3.45Å; S125-R129 PolarHBondContact O-N 3.33Å |
| 126 | F | 97.7 | Very high | 90.8 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 176.3 | -70.8 | -46.4 | 0 | 0 | 0 | 112.3 | V112 A122 Q124 G130 D145 R148 A149 L152 | V112-F126 HydrophobicContact CG1-CE1 4.01Å; V112-F126 HydrophobicContact CG1-CZ 3.77Å; V112-F126 HydrophobicContact CG2-CD1 4.31Å; V112-F126 HydrophobicContact CG2-CE1 3.92Å; V112-F126 HydrophobicContact CG2-CZ 4.13Å; A122-F126 HydrophobicContact CB-CD2 4.19Å; A122-F126 HydrophobicContact CB-CE2 3.85Å; A122-F126 WeakPolarHBondContact O-CB 3.44Å; A122-F126 WeakPolarHBondContact O-CD2 3.49Å; A122-F126 WeakPolarHBondContact O-CG 3.4Å; A122-F126 PolarHBondContact O-N 3.38Å; Q124-F126 PolarHBondContact O-N 3.16Å; F126-G130 PolarHBondContact O-N 3.17Å; F126-D145 HydrophobicContact CB-CB 4.5Å; F126-D145 WeakPolarHBondContact CB-O 3.39Å; F126-D145 HydrophobicContact CD1-CB 4.48Å; F126-D145 WeakPolarHBondContact O-CB 3.43Å; F126-R148 HydrophobicContact CB-CB 4.47Å; F126-R148 HydrophobicContact CD1-CB 4.12Å; F126-R148 HydrophobicContact CD2-CB 3.66Å; F126-R148 HydrophobicContact CE1-CB 4.3Å; F126-R148 HydrophobicContact CE2-CB 3.83Å; F126-R148 HydrophobicContact CG-CB 3.84Å; F126-R148 HydrophobicContact CZ-CB 4.17Å; F126-R148 HydrophobicContact CZ-CG 4.5Å; F126-A149 HydrophobicContact CB-CB 3.8Å; F126-L152 HydrophobicContact CD2-CD1 4Å; F126-L152 HydrophobicContact CE2-CD1 4.11Å |
| 127 | V | 93.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -48.3 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | R123 Q124 S125 G130 L131 A149 S154 F156 A157 | R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.47Å; Q124-V127 PolarHBondContact O-N 3.36Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.39Å; V127-G130 PolarHBondContact O-N 2.61Å; V127-L131 HydrophobicContact CG1-CD1 4.17Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 2.66Å; V127-A149 HydrophobicContact CG2-CB 3.71Å; V127-S154 WeakPolarHBondContact CG2-OG 3.38Å; V127-F156 HydrophobicContact CG1-CD1 3.67Å; V127-F156 HydrophobicContact CG1-CE1 3.87Å; V127-F156 HydrophobicContact CG2-CD1 4.47Å; V127-A157 HydrophobicContact CG2-CB 4.3Å |
| 128 | Q | 92.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | -178 | -65.6 | -130.2 | 46.2 | 0 | 0 | 112 | L108 Q124 S125 G130 L131 L132 | L108-Q128 HydrophobicContact CD1-CB 3.78Å; L108-Q128 HydrophobicContact CD2-CB 3.67Å; L108-Q128 HydrophobicContact CD2-CG 4.25Å; L108-Q128 HydrophobicContact CG-CB 4.42Å; Q124-Q128 WeakPolarHBondContact O-CG 3.35Å; Q124-Q128 PolarHBondContact O-N 3.18Å; S125-Q128 PolarHBondContact O-N 3.03Å; Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 3.32Å; Q128-L131 PolarHBondContact O-N 3.21Å; Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.07Å |
| 129 | R | 97.3 | Very high | 90.4 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 18% | 0.181 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 174.4 | -71 | 170.6 | 49.4 | 134.7 | 10.6 | 111.9 | L105 L108 E109 S125 L131 L132 A133 D145 | L105-R129 HydrophobicContact CD2-CG 4.23Å; L108-R129 HydrophobicContact CB-CG 3.7Å; L108-R129 HydrophobicContact CD1-CG 3.79Å; L108-R129 HydrophobicContact CG-CG 4.29Å; E109-R129 IonicContact OE1-NH1 3.72Å; S125-R129 WeakPolarHBondContact O-CB 3.33Å; S125-R129 WeakPolarHBondContact O-CG 3.45Å; S125-R129 PolarHBondContact O-N 3.33Å; R129-L131 VanDerWaalsContact C-N 3.31Å; R129-L131 PolarHBondContact O-N 3.25Å; R129-L132 PolarHBondContact O-N 3.17Å; R129-A133 WeakPolarHBondContact O-CB 3.28Å; R129-A133 PolarHBondContact O-N 3.38Å; R129-D145 HydrophobicContact CB-CB 4.42Å; R129-D145 WeakPolarHBondContact CB-OD2 3.38Å; R129-D145 IonicContact CZ-OD2 3.36Å; R129-D145 IonicContact NE-OD1 3.41Å; R129-D145 IonicContact NE-OD2 3.3Å; R129-D145 PolarHBondContact NE-OD2 3.2Å; R129-D145 IonicContact NH2-OD1 3.1Å; R129-D145 IonicContact NH2-OD2 2.85Å; R129-D145 PolarHBondContact NH2-OD2 3.49Å |
| 130 | G | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F126 V127 Q128 R134 A142 | F126-G130 PolarHBondContact O-N 3.17Å; V127-G130 PolarHBondContact O-N 2.61Å; Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 3.32Å; G130-R134 WeakPolarHBondContact O-CG 3.47Å; G130-R134 PolarHBondContact O-N 2.88Å; G130-A142 VanDerWaalsContact O-CB 3.31Å; G130-A142 WeakPolarHBondContact O-CB 3.32Å |
| 131 | L | 88.9 | Confident | 91 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | 174.5 | -72.6 | 172.7 | 0 | 0 | 0 | 112.5 | V127 Q128 R129 A133 R134 L135 F146 F156 | V127-L131 HydrophobicContact CG1-CD1 4.17Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 2.66Å; Q128-L131 PolarHBondContact O-N 3.21Å; R129-L131 VanDerWaalsContact C-N 3.31Å; R129-L131 PolarHBondContact O-N 3.25Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 3.21Å; L131-R134 PolarHBondContact O-N 2.91Å; L131-L135 WeakPolarHBondContact O-CG 3.2Å; L131-L135 PolarHBondContact O-N 2.84Å; L131-F146 HydrophobicContact CD2-CZ 4.07Å; L131-F146 HydrophobicContact CG-CE1 4.34Å; L131-F146 HydrophobicContact CG-CZ 4.13Å; L131-F156 HydrophobicContact CD1-CE1 4.14Å; L131-F156 HydrophobicContact CD1-CZ 4.33Å; L131-F156 HydrophobicContact CD2-CE1 3.94Å; L131-F156 HydrophobicContact CD2-CZ 3.9Å; L131-F156 HydrophobicContact CG-CE1 4.17Å |
| 132 | L | 88.2 | Confident | 91.1 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 176.4 | -73.6 | 175.4 | 0 | 0 | 0 | 111.7 | R96 V101 A104 L105 L108 Q128 R129 R134 L135 Q136 | R96-L132 HydrophobicContact CG-CD2 3.68Å; V101-L132 HydrophobicContact CG1-CD1 4.5Å; V101-L132 HydrophobicContact CG1-CD2 3.97Å; V101-L132 HydrophobicContact CG2-CD2 4.4Å; A104-L132 HydrophobicContact CB-CD1 4.29Å; L105-L132 HydrophobicContact CD2-CB 4.36Å; L105-L132 HydrophobicContact CD2-CD1 3.75Å; L105-L132 HydrophobicContact CG-CD1 4.06Å; L108-L132 HydrophobicContact CD1-CD1 3.79Å; Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.07Å; R129-L132 PolarHBondContact O-N 3.17Å; L132-R134 PolarHBondContact O-N 3.08Å; L132-L135 PolarHBondContact O-N 3.48Å; L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 2.95Å; L132-Q136 VanDerWaalsContact O-N 3.16Å |
| 133 | A | 90.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R129 L131 L135 Q136 G137 R138 D141 A142 | R129-A133 WeakPolarHBondContact O-CB 3.28Å; R129-A133 PolarHBondContact O-N 3.38Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 3.21Å; A133-L135 PolarHBondContact O-N 3.34Å; A133-Q136 CarbonylContact O-C 3.47Å; A133-Q136 PolarHBondContact O-N 3.38Å; A133-Q136 VanDerWaalsContact O-N 3.16Å; A133-G137 PolarHBondContact O-N 3.25Å; A133-R138 HydrophobicContact CB-CB 4.25Å; A133-R138 WeakPolarHBondContact O-CA 3.16Å; A133-R138 PolarHBondContact O-N 3.36Å; A133-D141 HydrophobicContact CB-CB 3.96Å; A133-A142 HydrophobicContact CB-CB 3.92Å |
| 134 | R | 86.2 | Confident | 91.3 | Very high | 98 Ų | 98 | 52.3 Ų | 52.3 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.2 | -75.9 | -168.1 | 70.9 | -147.5 | -6.2 | 112.6 | G130 L131 L132 Q136 G137 A142 F146 L164 | G130-R134 WeakPolarHBondContact O-CG 3.47Å; G130-R134 PolarHBondContact O-N 2.88Å; L131-R134 PolarHBondContact O-N 2.91Å; L132-R134 PolarHBondContact O-N 3.08Å; R134-Q136 PolarHBondContact O-N 3.27Å; R134-G137 PolarHBondContact O-N 3.08Å; R134-A142 HydrophobicContact CB-CB 4.43Å; R134-A142 HydrophobicContact CG-CB 3.43Å; R134-A142 VanDerWaalsContact CG-CB 3.43Å; R134-F146 HydrophobicContact CG-CE2 3.99Å; R134-L164 HydrophobicContact CG-CD1 4.38Å; R134-L164 HydrophobicContact CG-CD2 4.3Å |
| 135 | L | 83.4 | Confident | 91.6 | Very high | 133 Ų | 133 | 50.3 Ų | 50.3 | 70% | 0.696 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.2 | -27.4 | 178.5 | -72.3 | 172.7 | 0 | 0 | 0 | 112.2 | L131 L132 A133 | L131-L135 WeakPolarHBondContact O-CG 3.2Å; L131-L135 PolarHBondContact O-N 2.84Å; L132-L135 PolarHBondContact O-N 3.48Å; A133-L135 PolarHBondContact O-N 3.34Å |
| 136 | Q | 84.5 | Confident | 91.5 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 5.8 | 176.4 | -66.2 | 173.6 | -23.8 | 0 | 0 | 113.5 | L132 A133 R134 R138 | L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 2.95Å; L132-Q136 VanDerWaalsContact O-N 3.16Å; A133-Q136 CarbonylContact O-C 3.47Å; A133-Q136 PolarHBondContact O-N 3.38Å; A133-Q136 VanDerWaalsContact O-N 3.16Å; R134-Q136 PolarHBondContact O-N 3.27Å; Q136-R138 HydrophobicContact CB-CG 4.28Å; Q136-R138 PolarHBondContact O-N 3.16Å; Q136-R138 VanDerWaalsContact OE1-CZ 3.28Å |
| 137 | G | 85.4 | Confident | 91.4 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 9.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A133 R134 D139 | A133-G137 PolarHBondContact O-N 3.25Å; R134-G137 PolarHBondContact O-N 3.08Å; G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 3.36Å; G137-D139 VanDerWaalsContact O-N 3.09Å |
| 138 | R | 91.3 | Very high | 91.5 | Very high | 102 Ų | 102 | 56 Ų | 56 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | trans | -87.2 | 64.8 | 179 | -59.4 | -169.9 | -67.2 | 148.6 | -11.6 | 110.5 | A133 Q136 D140 D141 A142 | A133-R138 HydrophobicContact CB-CB 4.25Å; A133-R138 WeakPolarHBondContact O-CA 3.16Å; A133-R138 PolarHBondContact O-N 3.36Å; Q136-R138 HydrophobicContact CB-CG 4.28Å; Q136-R138 PolarHBondContact O-N 3.16Å; Q136-R138 VanDerWaalsContact OE1-CZ 3.28Å; R138-D140 VanDerWaalsContact C-N 3.29Å; R138-D140 PolarHBondContact O-N 3.45Å; R138-D141 HydrophobicContact CB-CB 4.03Å; R138-D141 WeakPolarHBondContact CD-OD2 3.36Å; R138-D141 IonicContact CZ-OD2 3.38Å; R138-D141 IonicContact NE-OD2 3.52Å; R138-D141 IonicContact NH1-OD2 3.95Å; R138-D141 PolarHBondContact NH1-OD2 2.98Å; R138-D141 WeakPolarHBondContact O-CB 3.13Å; R138-D141 PolarHBondContact O-N 3.43Å; R138-D141 VanDerWaalsContact O-N 3.14Å; R138-A142 PolarHBondContact O-N 3.35Å | ||
| 139 | D | 87.8 | Confident | 91.5 | Very high | 64 Ų | 64 | 55 Ų | 55 | 34% | 0.342 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -30.3 | -172.9 | -78.9 | -16.7 | 0 | 0 | 0 | 113.7 | G137 A142 R143 L164 | G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 3.36Å; G137-D139 VanDerWaalsContact O-N 3.09Å; D139-A142 PolarHBondContact O-N 3.16Å; D139-R143 WeakPolarHBondContact O-CB 3.38Å; D139-R143 WeakPolarHBondContact O-CG 3.46Å; D139-R143 PolarHBondContact O-N 3.23Å; D139-L164 HydrophobicContact CB-CD2 4.12Å |
| 140 | D | 92.9 | Very high | 91.1 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 173.2 | -79.1 | -49.9 | 0 | 0 | 0 | 112.2 | R138 A142 R143 R144 | R138-D140 VanDerWaalsContact C-N 3.29Å; R138-D140 PolarHBondContact O-N 3.45Å; D140-A142 VanDerWaalsContact C-N 3.33Å; D140-R143 PolarHBondContact O-N 3.49Å; D140-R143 IonicContact OD1-CZ 2.65Å; D140-R143 IonicContact OD1-NE 2.61Å; D140-R143 PolarHBondContact OD1-NE 3Å; D140-R143 IonicContact OD1-NH2 3.43Å; D140-R143 PolarHBondContact OD1-NH2 3.47Å; D140-R143 IonicContact OD2-NH2 3.44Å; D140-R144 WeakPolarHBondContact O-CG 3.41Å; D140-R144 PolarHBondContact O-N 3.04Å; D140-R144 VanDerWaalsContact O-N 3.13Å; D140-R144 PolarHBondContact O-NH1 3.29Å |
| 141 | D | 94.6 | Very high | 91 | Very high | 40 Ų | 40 | 63.1 Ų | 63.1 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 177.3 | -61.8 | -1.7 | 0 | 0 | 0 | 109.8 | A133 R138 R143 R144 D145 | A133-D141 HydrophobicContact CB-CB 3.96Å; R138-D141 HydrophobicContact CB-CB 4.03Å; R138-D141 WeakPolarHBondContact CD-OD2 3.36Å; R138-D141 IonicContact CZ-OD2 3.38Å; R138-D141 IonicContact NE-OD2 3.52Å; R138-D141 IonicContact NH1-OD2 3.95Å; R138-D141 PolarHBondContact NH1-OD2 2.98Å; R138-D141 WeakPolarHBondContact O-CB 3.13Å; R138-D141 PolarHBondContact O-N 3.43Å; R138-D141 VanDerWaalsContact O-N 3.14Å; D141-R143 PolarHBondContact O-N 2.94Å; D141-R144 VanDerWaalsContact CG-NH2 3.27Å; D141-R144 PolarHBondContact O-N 3.06Å; D141-R144 IonicContact OD1-CZ 3Å; D141-R144 IonicContact OD1-NH1 2.79Å; D141-R144 PolarHBondContact OD1-NH1 3.4Å; D141-R144 IonicContact OD1-NH2 3.52Å; D141-R144 PolarHBondContact OD1-NH2 3.21Å; D141-D145 PolarHBondContact O-N 3.23Å; D141-D145 VanDerWaalsContact O-N 3.1Å |
| 142 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G130 A133 R134 R138 D139 D140 R144 D145 F146 L164 | G130-A142 VanDerWaalsContact O-CB 3.31Å; G130-A142 WeakPolarHBondContact O-CB 3.32Å; A133-A142 HydrophobicContact CB-CB 3.92Å; R134-A142 HydrophobicContact CB-CB 4.43Å; R134-A142 HydrophobicContact CG-CB 3.43Å; R134-A142 VanDerWaalsContact CG-CB 3.43Å; R138-A142 PolarHBondContact O-N 3.35Å; D139-A142 PolarHBondContact O-N 3.16Å; D140-A142 VanDerWaalsContact C-N 3.33Å; A142-R144 VanDerWaalsContact C-N 3.3Å; A142-R144 PolarHBondContact O-N 3.37Å; A142-D145 PolarHBondContact O-N 2.91Å; A142-F146 HydrophobicContact CB-CD2 4.23Å; A142-F146 HydrophobicContact CB-CE2 3.98Å; A142-F146 WeakPolarHBondContact O-CB 3.15Å; A142-F146 WeakPolarHBondContact O-CD2 3.33Å; A142-F146 WeakPolarHBondContact O-CG 3.37Å; A142-F146 PolarHBondContact O-N 3.46Å; A142-L164 HydrophobicContact CB-CD1 4.09Å |
| 143 | R | 93.6 | Very high | 90.6 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 176.1 | -81 | -173.3 | -76 | -88.4 | -0.3 | 111.5 | D139 D140 D141 A147 L161 L164 | D139-R143 WeakPolarHBondContact O-CB 3.38Å; D139-R143 WeakPolarHBondContact O-CG 3.46Å; D139-R143 PolarHBondContact O-N 3.23Å; D140-R143 PolarHBondContact O-N 3.49Å; D140-R143 IonicContact OD1-CZ 2.65Å; D140-R143 IonicContact OD1-NE 2.61Å; D140-R143 PolarHBondContact OD1-NE 3Å; D140-R143 IonicContact OD1-NH2 3.43Å; D140-R143 PolarHBondContact OD1-NH2 3.47Å; D140-R143 IonicContact OD2-NH2 3.44Å; D141-R143 PolarHBondContact O-N 2.94Å; R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.27Å; R143-A147 PolarHBondContact O-N 3.13Å; R143-L161 HydrophobicContact CB-CD2 4.47Å; R143-L161 WeakPolarHBondContact O-CD2 3.5Å; R143-L164 HydrophobicContact CG-CB 3.77Å; R143-L164 HydrophobicContact CG-CD1 3.8Å; R143-L164 HydrophobicContact CG-CG 4.36Å; R143-L164 PolarHBondContact NH1-O 3.46Å |
| 144 | R | 96.6 | Very high | 90.3 | Very high | 136 Ų | 136 | 64.7 Ų | 64.7 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 179.6 | -68.1 | -171 | -50.7 | -92 | 9.6 | 111.7 | D140 D141 A142 A147 R148 | D140-R144 WeakPolarHBondContact O-CG 3.41Å; D140-R144 PolarHBondContact O-N 3.04Å; D140-R144 VanDerWaalsContact O-N 3.13Å; D140-R144 PolarHBondContact O-NH1 3.29Å; D141-R144 VanDerWaalsContact CG-NH2 3.27Å; D141-R144 PolarHBondContact O-N 3.06Å; D141-R144 IonicContact OD1-CZ 3Å; D141-R144 IonicContact OD1-NH1 2.79Å; D141-R144 PolarHBondContact OD1-NH1 3.4Å; D141-R144 IonicContact OD1-NH2 3.52Å; D141-R144 PolarHBondContact OD1-NH2 3.21Å; A142-R144 VanDerWaalsContact C-N 3.3Å; A142-R144 PolarHBondContact O-N 3.37Å; R144-A147 PolarHBondContact O-N 3.25Å; R144-R148 WeakPolarHBondContact O-CG 3.24Å; R144-R148 PolarHBondContact O-N 3.21Å; R144-R148 VanDerWaalsContact O-N 3.16Å |
| 145 | D | 97.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.064 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -41 | -179.6 | -78.8 | -22 | 0 | 0 | 0 | 111.8 | F126 R129 D141 A142 A147 R148 A149 | F126-D145 HydrophobicContact CB-CB 4.5Å; F126-D145 WeakPolarHBondContact CB-O 3.39Å; F126-D145 HydrophobicContact CD1-CB 4.48Å; F126-D145 WeakPolarHBondContact O-CB 3.43Å; R129-D145 HydrophobicContact CB-CB 4.42Å; R129-D145 WeakPolarHBondContact CB-OD2 3.38Å; R129-D145 IonicContact CZ-OD2 3.36Å; R129-D145 IonicContact NE-OD1 3.41Å; R129-D145 IonicContact NE-OD2 3.3Å; R129-D145 PolarHBondContact NE-OD2 3.2Å; R129-D145 IonicContact NH2-OD1 3.1Å; R129-D145 IonicContact NH2-OD2 2.85Å; R129-D145 PolarHBondContact NH2-OD2 3.49Å; D141-D145 PolarHBondContact O-N 3.23Å; D141-D145 VanDerWaalsContact O-N 3.1Å; A142-D145 PolarHBondContact O-N 2.91Å; D145-A147 VanDerWaalsContact C-N 3.31Å; D145-A147 PolarHBondContact O-N 2.96Å; D145-R148 PolarHBondContact O-N 2.96Å; D145-R148 VanDerWaalsContact O-N 3.16Å; D145-A149 PolarHBondContact O-N 3.45Å |
| 146 | F | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 173 | -68.1 | -49.4 | 0 | 0 | 0 | 112.9 | L131 R134 A142 R148 A149 A150 F156 A157 Q160 L161 L164 | L131-F146 HydrophobicContact CD2-CZ 4.07Å; L131-F146 HydrophobicContact CG-CE1 4.34Å; L131-F146 HydrophobicContact CG-CZ 4.13Å; R134-F146 HydrophobicContact CG-CE2 3.99Å; A142-F146 HydrophobicContact CB-CD2 4.23Å; A142-F146 HydrophobicContact CB-CE2 3.98Å; A142-F146 WeakPolarHBondContact O-CB 3.15Å; A142-F146 WeakPolarHBondContact O-CD2 3.33Å; A142-F146 WeakPolarHBondContact O-CG 3.37Å; A142-F146 PolarHBondContact O-N 3.46Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.45Å; F146-A149 PolarHBondContact O-N 3.36Å; F146-A150 WeakPolarHBondContact O-CB 3.42Å; F146-A150 PolarHBondContact O-N 3.49Å; F146-F156 HydrophobicContact CE1-CE1 4.13Å; F146-A157 HydrophobicContact CB-CB 4.13Å; F146-A157 HydrophobicContact CD1-CB 3.95Å; F146-A157 HydrophobicContact CG-CB 4.48Å; F146-A157 WeakPolarHBondContact O-CB 3.12Å; F146-Q160 HydrophobicContact CD1-CB 4.02Å; F146-Q160 HydrophobicContact CD1-CG 4.28Å; F146-Q160 HydrophobicContact CD2-CB 3.7Å; F146-Q160 HydrophobicContact CE1-CB 4.07Å; F146-Q160 HydrophobicContact CE1-CG 3.91Å; F146-Q160 HydrophobicContact CE2-CB 3.75Å; F146-Q160 HydrophobicContact CE2-CG 4.15Å; F146-Q160 HydrophobicContact CG-CB 3.85Å; F146-Q160 HydrophobicContact CZ-CB 3.94Å; F146-Q160 HydrophobicContact CZ-CG 3.83Å; F146-L161 HydrophobicContact CB-CD1 4.46Å; F146-L161 HydrophobicContact CB-CD2 3.81Å; F146-L161 HydrophobicContact CB-CG 3.81Å; F146-L164 HydrophobicContact CD2-CD1 3.63Å; F146-L164 HydrophobicContact CE2-CD1 3.89Å |
| 147 | A | 95.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 56 Ų | 56 | 24% | 0.24 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R143 R144 D145 A150 R151 L161 | R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.27Å; R143-A147 PolarHBondContact O-N 3.13Å; R144-A147 PolarHBondContact O-N 3.25Å; D145-A147 VanDerWaalsContact C-N 3.31Å; D145-A147 PolarHBondContact O-N 2.96Å; A147-A150 PolarHBondContact O-N 3.3Å; A147-R151 WeakPolarHBondContact O-CG 3.31Å; A147-R151 PolarHBondContact O-N 2.9Å; A147-R151 VanDerWaalsContact O-N 3.16Å; A147-L161 HydrophobicContact CB-CD1 4.41Å; A147-L161 HydrophobicContact CB-CD2 4.36Å |
| 148 | R | 95.6 | Very high | 90.4 | Very high | 119 Ų | 119 | 59.1 Ų | 59.1 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 174.9 | -68 | 174.8 | 176.4 | -177.7 | -5.5 | 111.4 | F126 R144 D145 F146 A150 R151 L152 | F126-R148 HydrophobicContact CB-CB 4.47Å; F126-R148 HydrophobicContact CD1-CB 4.12Å; F126-R148 HydrophobicContact CD2-CB 3.66Å; F126-R148 HydrophobicContact CE1-CB 4.3Å; F126-R148 HydrophobicContact CE2-CB 3.83Å; F126-R148 HydrophobicContact CG-CB 3.84Å; F126-R148 HydrophobicContact CZ-CB 4.17Å; F126-R148 HydrophobicContact CZ-CG 4.5Å; R144-R148 WeakPolarHBondContact O-CG 3.24Å; R144-R148 PolarHBondContact O-N 3.21Å; R144-R148 VanDerWaalsContact O-N 3.16Å; D145-R148 PolarHBondContact O-N 2.96Å; D145-R148 VanDerWaalsContact O-N 3.16Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.45Å; R148-A150 VanDerWaalsContact C-N 3.3Å; R148-A150 PolarHBondContact O-N 3.24Å; R148-R151 PolarHBondContact O-N 3.07Å; R148-L152 PolarHBondContact O-N 3.21Å |
| 149 | A | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F126 V127 D145 F146 L152 G153 S154 A157 | F126-A149 HydrophobicContact CB-CB 3.8Å; V127-A149 HydrophobicContact CG2-CB 3.71Å; D145-A149 PolarHBondContact O-N 3.45Å; F146-A149 PolarHBondContact O-N 3.36Å; A149-L152 CarbonylContact O-C 3.56Å; A149-L152 PolarHBondContact O-N 3.2Å; A149-G153 PolarHBondContact O-N 3.43Å; A149-S154 WeakPolarHBondContact O-CB 3.36Å; A149-S154 PolarHBondContact O-N 3.03Å; A149-A157 HydrophobicContact CB-CB 3.54Å |
| 150 | A | 89.6 | Confident | 89.9 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.1 | -35.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | F146 A147 R148 L152 G153 A157 R158 L161 | F146-A150 WeakPolarHBondContact O-CB 3.42Å; F146-A150 PolarHBondContact O-N 3.49Å; A147-A150 PolarHBondContact O-N 3.3Å; R148-A150 VanDerWaalsContact C-N 3.3Å; R148-A150 PolarHBondContact O-N 3.24Å; A150-L152 VanDerWaalsContact C-N 3.29Å; A150-G153 PolarHBondContact O-N 3.37Å; A150-G153 VanDerWaalsContact O-N 3.08Å; A150-A157 HydrophobicContact CB-CB 4.18Å; A150-R158 HydrophobicContact CB-CG 3.6Å; A150-R158 PolarHBondContact O-NE 3.46Å; A150-R158 PolarHBondContact O-NH2 3.13Å; A150-L161 HydrophobicContact CB-CD1 3.88Å |
| 151 | R | 91.9 | Very high | 89.4 | Confident | 207 Ų | 207 | 54.3 Ų | 54.3 | 78% | 0.781 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.2 | -35.2 | 172.2 | -72 | 173.4 | -170.8 | 166.6 | 2.5 | 111.7 | A147 R148 G153 | A147-R151 WeakPolarHBondContact O-CG 3.31Å; A147-R151 PolarHBondContact O-N 2.9Å; A147-R151 VanDerWaalsContact O-N 3.16Å; R148-R151 PolarHBondContact O-N 3.07Å; R151-G153 PolarHBondContact O-N 2.99Å |
| 152 | L | 85.4 | Confident | 88.9 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 12.8 | 171.7 | -58.7 | 176.3 | 0 | 0 | 0 | 112.9 | A122 R123 F126 R148 A149 A150 | A122-L152 HydrophobicContact CB-CD1 3.91Å; R123-L152 HydrophobicContact CB-CB 3.83Å; R123-L152 HydrophobicContact CB-CD1 3.93Å; R123-L152 WeakPolarHBondContact CD-O 3.46Å; R123-L152 HydrophobicContact CG-CB 3.99Å; F126-L152 HydrophobicContact CD2-CD1 4Å; F126-L152 HydrophobicContact CE2-CD1 4.11Å; R148-L152 PolarHBondContact O-N 3.21Å; A149-L152 CarbonylContact O-C 3.56Å; A149-L152 PolarHBondContact O-N 3.2Å; A150-L152 VanDerWaalsContact C-N 3.29Å |
| 153 | G | 84 | Confident | 88.3 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 22% | 0.216 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 9.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | A149 A150 R151 P155 | A149-G153 PolarHBondContact O-N 3.43Å; A150-G153 PolarHBondContact O-N 3.37Å; A150-G153 VanDerWaalsContact O-N 3.08Å; R151-G153 PolarHBondContact O-N 2.99Å; G153-P155 WeakPolarHBondContact O-CD 3.47Å |
| 154 | S | 84.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | trans | -69.9 | 111.9 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | V127 A149 F156 A157 R158 | V127-S154 WeakPolarHBondContact CG2-OG 3.38Å; A149-S154 WeakPolarHBondContact O-CB 3.36Å; A149-S154 PolarHBondContact O-N 3.03Å; S154-F156 VanDerWaalsContact C-N 3.31Å; S154-F156 PolarHBondContact O-N 3.13Å; S154-A157 PolarHBondContact O-N 3.32Å; S154-A157 PolarHBondContact OG-N 2.95Å; S154-R158 PolarHBondContact O-N 3.23Å | ||
| 155 | P | 84.9 | Confident | 86.9 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 176.1 | 27.9 | -33.9 | 0 | 0 | 0 | 111.3 | G153 A157 R158 R159 | G153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-A157 VanDerWaalsContact C-N 3.35Å; P155-A157 PolarHBondContact O-N 3.47Å; P155-R158 PolarHBondContact O-N 2.91Å; P155-R159 PolarHBondContact O-N 3.16Å; P155-R159 VanDerWaalsContact O-N 3.07Å |
| 156 | F | 85.2 | Confident | 85.6 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 39% | 0.386 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57 | -48.7 | 174.5 | -179.5 | -94.2 | 0 | 0 | 0 | 111.2 | V127 L131 F146 S154 R158 R159 Q160 | V127-F156 HydrophobicContact CG1-CD1 3.67Å; V127-F156 HydrophobicContact CG1-CE1 3.87Å; V127-F156 HydrophobicContact CG2-CD1 4.47Å; L131-F156 HydrophobicContact CD1-CE1 4.14Å; L131-F156 HydrophobicContact CD1-CZ 4.33Å; L131-F156 HydrophobicContact CD2-CE1 3.94Å; L131-F156 HydrophobicContact CD2-CZ 3.9Å; L131-F156 HydrophobicContact CG-CE1 4.17Å; F146-F156 HydrophobicContact CE1-CE1 4.13Å; S154-F156 VanDerWaalsContact C-N 3.31Å; S154-F156 PolarHBondContact O-N 3.13Å; F156-R158 VanDerWaalsContact C-N 3.35Å; F156-R158 PolarHBondContact O-N 3.43Å; F156-R159 PolarHBondContact O-N 2.78Å; F156-Q160 HydrophobicContact CD1-CG 3.93Å; F156-Q160 HydrophobicContact CE1-CG 3.5Å; F156-Q160 HydrophobicContact CZ-CG 3.84Å; F156-Q160 WeakPolarHBondContact O-CG 3.24Å; F156-Q160 PolarHBondContact O-N 3.24Å |
| 157 | A | 85.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V127 F146 A149 A150 S154 P155 R159 Q160 L161 | V127-A157 HydrophobicContact CG2-CB 4.3Å; F146-A157 HydrophobicContact CB-CB 4.13Å; F146-A157 HydrophobicContact CD1-CB 3.95Å; F146-A157 HydrophobicContact CG-CB 4.48Å; F146-A157 WeakPolarHBondContact O-CB 3.12Å; A149-A157 HydrophobicContact CB-CB 3.54Å; A150-A157 HydrophobicContact CB-CB 4.18Å; S154-A157 PolarHBondContact O-N 3.32Å; S154-A157 PolarHBondContact OG-N 2.95Å; P155-A157 VanDerWaalsContact C-N 3.35Å; P155-A157 PolarHBondContact O-N 3.47Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.41Å; A157-Q160 PolarHBondContact O-N 3.44Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 2.86Å |
| 158 | R | 85.8 | Confident | 83 | Confident | 124 Ų | 124 | 66.8 Ų | 66.8 | 47% | 0.468 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 173.4 | -68.9 | 175.6 | -172.3 | 163.8 | 1.8 | 111.5 | A150 S154 P155 F156 Q160 L161 V162 | A150-R158 HydrophobicContact CB-CG 3.6Å; A150-R158 PolarHBondContact O-NE 3.46Å; A150-R158 PolarHBondContact O-NH2 3.13Å; S154-R158 PolarHBondContact O-N 3.23Å; P155-R158 PolarHBondContact O-N 2.91Å; F156-R158 VanDerWaalsContact C-N 3.35Å; F156-R158 PolarHBondContact O-N 3.43Å; R158-Q160 PolarHBondContact O-N 3.36Å; R158-L161 PolarHBondContact O-N 3.46Å; R158-V162 PolarHBondContact O-N 2.89Å |
| 159 | R | 83.7 | Confident | 81.5 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.6 | -177.3 | -178.6 | -98 | -178.5 | -8.1 | 111.4 | P16 F20 P155 F156 A157 L161 V162 L163 | P16-R159 PolarHBondContact O-NH2 2.9Å; F20-R159 VanDerWaalsContact CD2-CZ 3.42Å; P155-R159 PolarHBondContact O-N 3.16Å; P155-R159 VanDerWaalsContact O-N 3.07Å; F156-R159 PolarHBondContact O-N 2.78Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.41Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-L161 PolarHBondContact O-N 3.24Å; R159-V162 PolarHBondContact O-N 2.89Å; R159-L163 WeakPolarHBondContact O-CG 3.34Å; R159-L163 PolarHBondContact O-N 3.26Å; R159-L163 VanDerWaalsContact O-N 3.13Å |
| 160 | Q | 84.3 | Confident | 80.4 | Confident | 15 Ų | 15 | 68.5 Ų | 68.5 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 177.5 | -66.7 | -55.8 | -45.2 | 0 | 0 | 112.7 | F146 F156 A157 R158 V162 L163 L164 | F146-Q160 HydrophobicContact CD1-CB 4.02Å; F146-Q160 HydrophobicContact CD1-CG 4.28Å; F146-Q160 HydrophobicContact CD2-CB 3.7Å; F146-Q160 HydrophobicContact CE1-CB 4.07Å; F146-Q160 HydrophobicContact CE1-CG 3.91Å; F146-Q160 HydrophobicContact CE2-CB 3.75Å; F146-Q160 HydrophobicContact CE2-CG 4.15Å; F146-Q160 HydrophobicContact CG-CB 3.85Å; F146-Q160 HydrophobicContact CZ-CB 3.94Å; F146-Q160 HydrophobicContact CZ-CG 3.83Å; F156-Q160 HydrophobicContact CD1-CG 3.93Å; F156-Q160 HydrophobicContact CE1-CG 3.5Å; F156-Q160 HydrophobicContact CZ-CG 3.84Å; F156-Q160 WeakPolarHBondContact O-CG 3.24Å; F156-Q160 PolarHBondContact O-N 3.24Å; A157-Q160 PolarHBondContact O-N 3.44Å; R158-Q160 PolarHBondContact O-N 3.36Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; Q160-V162 PolarHBondContact O-N 3.44Å; Q160-L163 PolarHBondContact O-N 2.93Å; Q160-L164 WeakPolarHBondContact O-CB 3.3Å; Q160-L164 WeakPolarHBondContact O-CG 3.47Å; Q160-L164 PolarHBondContact O-N 3.04Å |
| 161 | L | 83.9 | Confident | 79.4 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 175.6 | -71.1 | 167.1 | 0 | 0 | 0 | 112.8 | R143 F146 A147 A150 A157 R158 R159 L163 L164 N165 | R143-L161 HydrophobicContact CB-CD2 4.47Å; R143-L161 WeakPolarHBondContact O-CD2 3.5Å; F146-L161 HydrophobicContact CB-CD1 4.46Å; F146-L161 HydrophobicContact CB-CD2 3.81Å; F146-L161 HydrophobicContact CB-CG 3.81Å; A147-L161 HydrophobicContact CB-CD1 4.41Å; A147-L161 HydrophobicContact CB-CD2 4.36Å; A150-L161 HydrophobicContact CB-CD1 3.88Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 2.86Å; R158-L161 PolarHBondContact O-N 3.46Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-L161 PolarHBondContact O-N 3.24Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L161-L164 PolarHBondContact O-N 3.07Å; L161-N165 PolarHBondContact O-N 2.9Å; L161-N165 VanDerWaalsContact O-N 3.16Å |
| 162 | V | 83.1 | Confident | 78.3 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 174.8 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | R158 R159 Q160 L164 N165 | R158-V162 PolarHBondContact O-N 2.89Å; R159-V162 PolarHBondContact O-N 2.89Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; Q160-V162 PolarHBondContact O-N 3.44Å; V162-L164 VanDerWaalsContact C-N 3.32Å; V162-L164 PolarHBondContact O-N 3.42Å; V162-N165 VanDerWaalsContact O-CB 3.24Å; V162-N165 WeakPolarHBondContact O-CB 3.27Å; V162-N165 PolarHBondContact O-N 3.27Å |
| 163 | L | 80.4 | Confident | 77.9 | Confident | 106 Ų | 106 | 72.4 Ų | 72.4 | 56% | 0.555 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.6 | -33.5 | 178.1 | -65.2 | 174.6 | 0 | 0 | 0 | 112.9 | R159 Q160 L161 N165 | R159-L163 WeakPolarHBondContact O-CG 3.34Å; R159-L163 PolarHBondContact O-N 3.26Å; R159-L163 VanDerWaalsContact O-N 3.13Å; Q160-L163 PolarHBondContact O-N 2.93Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L163-N165 PolarHBondContact O-N 3.44Å |
| 164 | L | 79.7 | Confident | 77.5 | Confident | 12 Ų | 12 | 77.2 Ų | 77.2 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -0.8 | 177 | -72.5 | 171.4 | 0 | 0 | 0 | 113.4 | R134 D139 A142 R143 F146 Q160 L161 V162 P166 | R134-L164 HydrophobicContact CG-CD1 4.38Å; R134-L164 HydrophobicContact CG-CD2 4.3Å; D139-L164 HydrophobicContact CB-CD2 4.12Å; A142-L164 HydrophobicContact CB-CD1 4.09Å; R143-L164 HydrophobicContact CG-CB 3.77Å; R143-L164 HydrophobicContact CG-CD1 3.8Å; R143-L164 HydrophobicContact CG-CG 4.36Å; R143-L164 PolarHBondContact NH1-O 3.46Å; F146-L164 HydrophobicContact CD2-CD1 3.63Å; F146-L164 HydrophobicContact CE2-CD1 3.89Å; Q160-L164 WeakPolarHBondContact O-CB 3.3Å; Q160-L164 WeakPolarHBondContact O-CG 3.47Å; Q160-L164 PolarHBondContact O-N 3.04Å; L161-L164 PolarHBondContact O-N 3.07Å; V162-L164 VanDerWaalsContact C-N 3.32Å; V162-L164 PolarHBondContact O-N 3.42Å; L164-P166 WeakPolarHBondContact O-CD 3.49Å |
| 165 | N | 80.3 | Confident | 77.1 | Confident | 68 Ų | 68 | 82.3 Ų | 82.3 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -71.6 | 115.3 | 177 | -175.1 | -23.3 | 0 | 0 | 0 | 109.3 | L161 V162 L163 Y167 A168 A169 | L161-N165 PolarHBondContact O-N 2.9Å; L161-N165 VanDerWaalsContact O-N 3.16Å; V162-N165 VanDerWaalsContact O-CB 3.24Å; V162-N165 WeakPolarHBondContact O-CB 3.27Å; V162-N165 PolarHBondContact O-N 3.27Å; L163-N165 PolarHBondContact O-N 3.44Å; N165-Y167 PolarHBondContact O-N 2.97Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.47Å; N165-Y167 PolarHBondContact OD1-N 3.42Å; N165-A168 HydrophobicContact CB-CB 3.98Å; N165-A168 WeakPolarHBondContact O-CB 3.35Å; N165-A168 PolarHBondContact O-N 3.47Å; N165-A169 PolarHBondContact O-N 2.64Å; N165-A169 VanDerWaalsContact O-N 3.13Å | ||
| 166 | P | 69.6 | Low | 76.8 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -29.6 | -177.5 | 26 | -34.4 | 0 | 0 | 0 | 112.4 | L164 A169 L170 | L164-P166 WeakPolarHBondContact O-CD 3.49Å; P166-A169 PolarHBondContact O-N 2.97Å; P166-L170 VanDerWaalsContact O-CG 3.31Å; P166-L170 WeakPolarHBondContact O-CG 3.23Å; P166-L170 PolarHBondContact O-N 3.18Å |
| 167 | Y | 69.4 | Low | 76.7 | Confident | 173 Ų | 173 | 82.7 Ų | 82.7 | 68% | 0.678 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.9 | -37.3 | 175.4 | -63.1 | -76.3 | 0 | 0 | 0 | 111.9 | N165 A169 L170 C171 | N165-Y167 PolarHBondContact O-N 2.97Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.47Å; N165-Y167 PolarHBondContact OD1-N 3.42Å; Y167-A169 VanDerWaalsContact C-N 3.35Å; Y167-L170 PolarHBondContact O-N 3.11Å; Y167-C171 WeakPolarHBondContact O-CB 3.32Å; Y167-C171 PolarHBondContact O-N 3.37Å; Y167-C171 PolarHBondContact O-SG 2.93Å |
| 168 | A | 63.5 | Low | 76.4 | Confident | 28 Ų | 28 | 88.4 Ų | 88.4 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N165 C171 N172 | N165-A168 HydrophobicContact CB-CB 3.98Å; N165-A168 WeakPolarHBondContact O-CB 3.35Å; N165-A168 PolarHBondContact O-N 3.47Å; A168-C171 PolarHBondContact O-N 3.48Å; A168-N172 WeakPolarHBondContact O-CB 3.36Å; A168-N172 PolarHBondContact O-N 2.95Å; A168-N172 PolarHBondContact O-ND2 3.18Å |
| 169 | A | 65.5 | Low | 76.1 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N165 P166 Y167 R173 | N165-A169 PolarHBondContact O-N 2.64Å; N165-A169 VanDerWaalsContact O-N 3.13Å; P166-A169 PolarHBondContact O-N 2.97Å; Y167-A169 VanDerWaalsContact C-N 3.35Å; A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 2.99Å |
| 170 | L | 67.6 | Low | 76.1 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 175.8 | -73.9 | 169.1 | 0 | 0 | 0 | 112 | P166 Y167 N172 R173 M174 | P166-L170 VanDerWaalsContact O-CG 3.31Å; P166-L170 WeakPolarHBondContact O-CG 3.23Å; P166-L170 PolarHBondContact O-N 3.18Å; Y167-L170 PolarHBondContact O-N 3.11Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.41Å; L170-R173 PolarHBondContact O-N 3.5Å; L170-M174 WeakPolarHBondContact O-CB 3.46Å; L170-M174 VanDerWaalsContact O-CG 3.3Å; L170-M174 WeakPolarHBondContact O-CG 3.2Å; L170-M174 PolarHBondContact O-N 2.99Å |
| 171 | C | 69.3 | Low | 75.8 | Confident | 71 Ų | 71 | 90.4 Ų | 90.4 | 48% | 0.48 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 177.2 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | Y167 A168 R173 M174 L175 | Y167-C171 WeakPolarHBondContact O-CB 3.32Å; Y167-C171 PolarHBondContact O-N 3.37Å; Y167-C171 PolarHBondContact O-SG 2.93Å; A168-C171 PolarHBondContact O-N 3.48Å; C171-R173 VanDerWaalsContact C-N 3.34Å; C171-R173 PolarHBondContact O-N 2.92Å; C171-M174 PolarHBondContact O-N 3.29Å; C171-L175 WeakPolarHBondContact O-CB 3.37Å; C171-L175 VanDerWaalsContact O-CG 3.27Å; C171-L175 WeakPolarHBondContact O-CG 3.36Å; C171-L175 PolarHBondContact O-N 3.03Å |
| 172 | N | 69.6 | Low | 75.4 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 57% | 0.572 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 177.8 | -72.3 | -14.4 | 0 | 0 | 0 | 111.8 | A168 L170 A176 | A168-N172 WeakPolarHBondContact O-CB 3.36Å; A168-N172 PolarHBondContact O-N 2.95Å; A168-N172 PolarHBondContact O-ND2 3.18Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.41Å; N172-A176 WeakPolarHBondContact O-CB 3.33Å; N172-A176 PolarHBondContact O-N 3.07Å |
| 173 | R | 75.5 | Confident | 75 | Confident | 175 Ų | 175 | 100 Ų | 100 | 66% | 0.66 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -46.8 | 176.1 | -176.8 | 173.4 | 175 | 162.1 | -1.6 | 111.7 | A169 L170 C171 L175 A176 D177 | A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 2.99Å; L170-R173 PolarHBondContact O-N 3.5Å; C171-R173 VanDerWaalsContact C-N 3.34Å; C171-R173 PolarHBondContact O-N 2.92Å; R173-L175 VanDerWaalsContact C-N 3.34Å; R173-L175 PolarHBondContact O-N 3.39Å; R173-A176 PolarHBondContact O-N 3.07Å; R173-D177 WeakPolarHBondContact O-CB 3.42Å; R173-D177 PolarHBondContact O-N 3.42Å |
| 174 | M | 75.8 | Confident | 74.2 | Confident | 123 Ų | 123 | 104.5 Ų | 104.5 | 61% | 0.606 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -41.8 | 177.3 | -71.7 | 179 | 70.5 | 0 | 0 | 112.1 | L170 C171 D177 M178 | L170-M174 WeakPolarHBondContact O-CB 3.46Å; L170-M174 VanDerWaalsContact O-CG 3.3Å; L170-M174 WeakPolarHBondContact O-CG 3.2Å; L170-M174 PolarHBondContact O-N 2.99Å; C171-M174 PolarHBondContact O-N 3.29Å; M174-D177 PolarHBondContact O-N 3.39Å; M174-M178 WeakPolarHBondContact O-CB 3.21Å; M174-M178 WeakPolarHBondContact O-CG 3.47Å; M174-M178 PolarHBondContact O-N 3.43Å |
| 175 | L | 77 | Confident | 73.2 | Confident | 110 Ų | 110 | 108.8 Ų | 108.8 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.4 | -42.8 | 175.3 | -75.3 | 169.1 | 0 | 0 | 0 | 111.8 | C171 R173 M178 M179 | C171-L175 WeakPolarHBondContact O-CB 3.37Å; C171-L175 VanDerWaalsContact O-CG 3.27Å; C171-L175 WeakPolarHBondContact O-CG 3.36Å; C171-L175 PolarHBondContact O-N 3.03Å; R173-L175 VanDerWaalsContact C-N 3.34Å; R173-L175 PolarHBondContact O-N 3.39Å; L175-M178 PolarHBondContact O-N 3.12Å; L175-M179 WeakPolarHBondContact O-CB 3.3Å; L175-M179 VanDerWaalsContact O-CG 3.23Å; L175-M179 WeakPolarHBondContact O-CG 3.11Å; L175-M179 PolarHBondContact O-N 3.25Å |
| 176 | A | 77.3 | Confident | 72.3 | Confident | 63 Ų | 63 | 116.6 Ų | 116.6 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.2 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | N172 R173 M179 G180 | N172-A176 WeakPolarHBondContact O-CB 3.33Å; N172-A176 PolarHBondContact O-N 3.07Å; R173-A176 PolarHBondContact O-N 3.07Å; A176-M179 PolarHBondContact O-N 3.01Å; A176-G180 PolarHBondContact O-N 2.68Å |
| 177 | D | 83.1 | Confident | 71.6 | Confident | 89 Ų | 89 | 120.6 Ų | 120.6 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.5 | -45.9 | 177.1 | -72.7 | -18.6 | 0 | 0 | 0 | 111.2 | R173 M174 G180 Q181 | R173-D177 WeakPolarHBondContact O-CB 3.42Å; R173-D177 PolarHBondContact O-N 3.42Å; M174-D177 PolarHBondContact O-N 3.39Å; D177-G180 PolarHBondContact O-N 3.42Å; D177-Q181 WeakPolarHBondContact O-CG 3.4Å; D177-Q181 PolarHBondContact O-N 3.49Å |
| 178 | M | 79.1 | Confident | 70.8 | Confident | 119 Ų | 119 | 117.4 Ų | 117.4 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.8 | -47.6 | 174.5 | -81.8 | -94.3 | -158.8 | 0 | 0 | 112.3 | M174 L175 G180 Q181 L182 | M174-M178 WeakPolarHBondContact O-CB 3.21Å; M174-M178 WeakPolarHBondContact O-CG 3.47Å; M174-M178 PolarHBondContact O-N 3.43Å; L175-M178 PolarHBondContact O-N 3.12Å; M178-G180 VanDerWaalsContact C-N 3.3Å; M178-G180 PolarHBondContact O-N 3.33Å; M178-Q181 PolarHBondContact O-N 2.98Å; M178-L182 WeakPolarHBondContact O-CG 3.29Å; M178-L182 PolarHBondContact O-N 3.41Å |
| 179 | M | 81.6 | Confident | 70 | Confident | 106 Ų | 106 | 131.1 Ų | 131.1 | 52% | 0.522 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.2 | -35.4 | 177.7 | -73.4 | -71.4 | -76.5 | 0 | 0 | 112.1 | L175 A176 L182 R183 | L175-M179 WeakPolarHBondContact O-CB 3.3Å; L175-M179 VanDerWaalsContact O-CG 3.23Å; L175-M179 WeakPolarHBondContact O-CG 3.11Å; L175-M179 PolarHBondContact O-N 3.25Å; A176-M179 PolarHBondContact O-N 3.01Å; M179-L182 PolarHBondContact O-N 3.14Å; M179-R183 WeakPolarHBondContact O-CG 3.44Å; M179-R183 PolarHBondContact O-N 3.1Å; M179-R183 VanDerWaalsContact O-N 3.1Å |
| 180 | G | 81.7 | Confident | 70.2 | Confident | 35 Ų | 35 | 134.9 Ų | 134.9 | 36% | 0.361 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -64.7 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A176 D177 M178 R183 R184 | A176-G180 PolarHBondContact O-N 2.68Å; D177-G180 PolarHBondContact O-N 3.42Å; M178-G180 VanDerWaalsContact C-N 3.3Å; M178-G180 PolarHBondContact O-N 3.33Å; G180-R183 PolarHBondContact O-N 3.47Å; G180-R184 PolarHBondContact O-N 3.03Å |
| 181 | Q | 79.2 | Confident | 70.3 | Confident | 140 Ų | 140 | 136.7 Ų | 136.7 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66 | -39.7 | 175.3 | -70.4 | 175.2 | 19.5 | 0 | 0 | 112.2 | D177 M178 R183 R184 | D177-Q181 WeakPolarHBondContact O-CG 3.4Å; D177-Q181 PolarHBondContact O-N 3.49Å; M178-Q181 PolarHBondContact O-N 2.98Å; Q181-R183 VanDerWaalsContact C-N 3.33Å; Q181-R183 PolarHBondContact O-N 3.22Å; Q181-R184 PolarHBondContact O-N 2.87Å |
| 182 | L | 75.7 | Confident | 70.4 | Confident | 141 Ų | 141 | 140.4 Ų | 140.4 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.7 | -29.4 | 177.1 | -70.7 | 169.1 | 0 | 0 | 0 | 113.3 | M178 M179 | M178-L182 WeakPolarHBondContact O-CG 3.29Å; M178-L182 PolarHBondContact O-N 3.41Å; M179-L182 PolarHBondContact O-N 3.14Å |
| 183 | R | 73.8 | Confident | 70.5 | Confident | 205 Ų | 205 | 142.4 Ų | 142.4 | 77% | 0.774 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -80.6 | -15.7 | 177.6 | -80 | -178.9 | 171.5 | -176.3 | -1.6 | 114.2 | M179 G180 Q181 P185 | M179-R183 WeakPolarHBondContact O-CG 3.44Å; M179-R183 PolarHBondContact O-N 3.1Å; M179-R183 VanDerWaalsContact O-N 3.1Å; G180-R183 PolarHBondContact O-N 3.47Å; Q181-R183 VanDerWaalsContact C-N 3.33Å; Q181-R183 PolarHBondContact O-N 3.22Å; R183-P185 VanDerWaalsContact O-CD 3.29Å; R183-P185 WeakPolarHBondContact O-CD 3.45Å |
| 184 | R | 64.1 | Low | 70.1 | Confident | 201 Ų | 201 | 140.3 Ų | 140.3 | 76% | 0.758 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -79.3 | 111.3 | 170.6 | -72.7 | -175.5 | 178.8 | 179.9 | 0.6 | 107.4 | G180 Q181 R186 | G180-R184 PolarHBondContact O-N 3.03Å; Q181-R184 PolarHBondContact O-N 2.87Å; R184-R186 PolarHBondContact O-N 2.8Å |
| 185 | P | 58.8 | Low | 69.8 | Low | 101 Ų | 101 | 141.5 Ų | 141.5 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | trans | -56.5 | 135.6 | 173.4 | 25.1 | -31.2 | 0 | 0 | 0 | 107.3 | R183 D187 | R183-P185 VanDerWaalsContact O-CD 3.29Å; R183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-D187 PolarHBondContact O-N 3.33Å | ||
| 186 | R | 60.4 | Low | 69.2 | Low | 233 Ų | 233 | 143.7 Ų | 143.7 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | trans | -60.5 | 98 | 166.2 | -79.1 | -179.6 | 171.5 | 172.8 | -2.7 | 105.8 | R184 S188 | R184-R186 PolarHBondContact O-N 2.8Å; R186-S188 PolarHBondContact O-N 3.29Å; R186-S188 PolarHBondContact O-OG 3.27Å | ||
| 187 | D | 56.7 | Low | 68.6 | Low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -67.2 | 77.3 | 158.9 | -83.9 | -17.6 | 0 | 0 | 0 | 106.5 | P185 R189 | P185-D187 PolarHBondContact O-N 3.33Å; D187-R189 PolarHBondContact O-N 2.81Å | ||
| 188 | S | 52.3 | Low | 67.4 | Low | 105 Ų | 105 | 155 Ų | 155 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -73.5 | 107.1 | 167.9 | 23.7 | 0 | 0 | 0 | 0 | 107.9 | R186 | R186-S188 PolarHBondContact O-N 3.29Å; R186-S188 PolarHBondContact O-OG 3.27Å | ||
| 189 | R | 45.7 | Very low | 66.4 | Low | 316 Ų | 316 | 158.3 Ų | 158.3 | 100% | 1.192 | 74% | 0.738 | S | S | * | * | trans | -64 | 0 | 149.2 | -71.4 | -177.5 | -177.7 | 179.9 | 0.3 | 110.3 | D187 | D187-R189 PolarHBondContact O-N 2.81Š|
Retrieved 189 of 189 residues in 59.3 ms
(Link to these results)