| 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 | 69.9 | Low | 82.2 | Confident | 206 Ų | 206 | 120.9 Ų | 120.9 | 100% | 1.015 | 61% | 0.614 | S | S | * | * | 0 | -47.8 | 0 | -71 | -93.1 | -93.3 | 0 | 0 | 111.5 | K3 L4 A5 | M1-K3 PolarHBondContact O-N 2.71Å; M1-L4 PolarHBondContact O-N 3.21Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-A5 PolarHBondContact O-N 3.44Å | |||
| 2 | E | 81.1 | Confident | 82.3 | Confident | 176 Ų | 176 | 115.5 Ų | 115.5 | 82% | 0.822 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -54.2 | -43.1 | -179.3 | -70.7 | -177.6 | 132.9 | 0 | 0 | 115.3 | L4 A5 G6 | E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.2Å; E2-A5 PolarHBondContact O-N 3.17Å; E2-G6 PolarHBondContact O-N 3.01Å |
| 3 | K | 80.5 | Confident | 82.6 | Confident | 190 Ų | 190 | 113.4 Ų | 113.4 | 83% | 0.826 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.3 | -37.6 | 178.6 | -70.2 | -170.8 | 177.8 | -176.7 | 0 | 113.2 | M1 G6 T7 | M1-K3 PolarHBondContact O-N 2.71Å; K3-G6 PolarHBondContact O-N 2.7Å; K3-T7 PolarHBondContact O-N 3.02Å; K3-T7 PolarHBondContact O-OG1 3.28Å |
| 4 | L | 79.1 | Confident | 82.5 | Confident | 127 Ų | 127 | 109.9 Ų | 109.9 | 67% | 0.665 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.8 | -36.3 | 179 | -71 | 170.1 | 0 | 0 | 0 | 112 | M1 E2 T7 R8 | M1-L4 PolarHBondContact O-N 3.21Å; M1-L4 VanDerWaalsContact O-N 3.14Å; E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.2Å; L4-T7 WeakPolarHBondContact CA-OG1 3.24Å; L4-T7 PolarHBondContact O-OG1 2.93Å; L4-R8 WeakPolarHBondContact O-CB 3.41Å; L4-R8 PolarHBondContact O-N 3.32Å |
| 5 | A | 84.5 | Confident | 82.2 | Confident | 65 Ų | 65 | 103.9 Ų | 103.9 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | M1 E2 R8 K9 | M1-A5 PolarHBondContact O-N 3.44Å; E2-A5 PolarHBondContact O-N 3.17Å; A5-R8 PolarHBondContact O-N 2.82Å; A5-K9 PolarHBondContact O-N 2.7Å |
| 6 | G | 85.1 | Confident | 82 | Confident | 33 Ų | 33 | 105.7 Ų | 105.7 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2 K3 R8 K9 I10 | E2-G6 PolarHBondContact O-N 3.01Å; K3-G6 PolarHBondContact O-N 2.7Å; G6-R8 PolarHBondContact O-N 3.11Å; G6-K9 PolarHBondContact O-N 2.9Å; G6-I10 WeakPolarHBondContact O-CG1 3.48Å; G6-I10 PolarHBondContact O-N 2.92Å; G6-I10 VanDerWaalsContact O-N 3.08Å |
| 7 | T | 84.6 | Confident | 82.1 | Confident | 81 Ų | 81 | 106.4 Ų | 106.4 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 177.9 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | K3 L4 K9 I10 L11 | K3-T7 PolarHBondContact O-N 3.02Å; K3-T7 PolarHBondContact O-OG1 3.28Å; L4-T7 WeakPolarHBondContact CA-OG1 3.24Å; L4-T7 PolarHBondContact O-OG1 2.93Å; T7-K9 PolarHBondContact O-N 3.41Å; T7-I10 PolarHBondContact O-N 3.3Å; T7-L11 PolarHBondContact O-N 3.45Å |
| 8 | R | 83.9 | Confident | 81.9 | Confident | 123 Ų | 123 | 111.5 Ų | 111.5 | 46% | 0.464 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.2 | -46.4 | 174.9 | -179.3 | 179.8 | 169.8 | 169.7 | 2.8 | 111.6 | L4 A5 G6 L11 E12 L37 | L4-R8 WeakPolarHBondContact O-CB 3.41Å; L4-R8 PolarHBondContact O-N 3.32Å; A5-R8 PolarHBondContact O-N 2.82Å; G6-R8 PolarHBondContact O-N 3.11Å; R8-L11 WeakPolarHBondContact O-CB 3.32Å; R8-L11 PolarHBondContact O-N 3.31Å; R8-E12 HydrophobicContact CG-CG 4.49Å; R8-E12 IonicContact CZ-OE1 3.81Å; R8-E12 IonicContact NE-OE1 2.72Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 2.72Å; R8-E12 PolarHBondContact NH2-OE1 2.98Å; R8-E12 PolarHBondContact O-N 3.18Å; R8-L37 HydrophobicContact CG-CD2 3.97Å |
| 9 | K | 86.3 | Confident | 81.8 | Confident | 134 Ų | 134 | 109.9 Ų | 109.9 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.8 | -43.6 | -179.6 | -167.1 | 179.4 | 179.3 | -176.6 | 0 | 111.9 | A5 G6 T7 L11 E12 D13 | A5-K9 PolarHBondContact O-N 2.7Å; G6-K9 PolarHBondContact O-N 2.9Å; T7-K9 PolarHBondContact O-N 3.41Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 2.84Å; K9-E12 PolarHBondContact O-N 3.13Å; K9-D13 WeakPolarHBondContact O-CB 3.41Å; K9-D13 PolarHBondContact O-N 3.22Å |
| 10 | I | 85.8 | Confident | 82.2 | Confident | 110 Ų | 110 | 115.2 Ų | 115.2 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.5 | -42.7 | 174.5 | -67.4 | 165.7 | 0 | 0 | 0 | 110.9 | G6 T7 S14 | G6-I10 WeakPolarHBondContact O-CG1 3.48Å; G6-I10 PolarHBondContact O-N 2.92Å; G6-I10 VanDerWaalsContact O-N 3.08Å; T7-I10 PolarHBondContact O-N 3.3Å; I10-S14 WeakPolarHBondContact O-CB 3.39Å; I10-S14 PolarHBondContact O-N 3.07Å; I10-S14 PolarHBondContact O-OG 3.5Å |
| 11 | L | 83 | Confident | 82.2 | Confident | 85 Ų | 85 | 113.8 Ų | 113.8 | 45% | 0.445 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.4 | -48.7 | 176.4 | -122.6 | 84.3 | 0 | 0 | 0 | 111.4 | T7 R8 K9 D13 S14 L15 L37 | T7-L11 PolarHBondContact O-N 3.45Å; R8-L11 WeakPolarHBondContact O-CB 3.32Å; R8-L11 PolarHBondContact O-N 3.31Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 2.84Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.26Å; L11-S14 PolarHBondContact O-N 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 2.81Å; L11-L37 HydrophobicContact CB-CD1 4.12Å; L11-L37 HydrophobicContact CD2-CD1 3.68Å; L11-L37 HydrophobicContact CG-CD1 4.47Å |
| 12 | E | 84.1 | Confident | 82.9 | Confident | 56 Ų | 56 | 104.4 Ų | 104.4 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 179 | -75 | -179.5 | -171.6 | 0 | 0 | 112.3 | R8 K9 L15 K16 L37 | R8-E12 HydrophobicContact CG-CG 4.49Å; R8-E12 IonicContact CZ-OE1 3.81Å; R8-E12 IonicContact NE-OE1 2.72Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 2.72Å; R8-E12 PolarHBondContact NH2-OE1 2.98Å; R8-E12 PolarHBondContact O-N 3.18Å; K9-E12 PolarHBondContact O-N 3.13Å; E12-L15 PolarHBondContact O-N 3.27Å; E12-K16 WeakPolarHBondContact O-CG 3.05Å; E12-K16 PolarHBondContact O-N 3.07Å; E12-K16 VanDerWaalsContact O-N 3.13Å; E12-L37 HydrophobicContact CG-CD1 4.48Å; E12-L37 HydrophobicContact CG-CD2 4Å |
| 13 | D | 85.4 | Confident | 83.1 | Confident | 88 Ų | 88 | 97.5 Ų | 97.5 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 178 | -70.6 | -19.9 | 0 | 0 | 0 | 111 | K9 L11 L15 K16 Q17 | K9-D13 WeakPolarHBondContact O-CB 3.41Å; K9-D13 PolarHBondContact O-N 3.22Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.26Å; D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 3.41Å; D13-K16 PolarHBondContact O-N 2.77Å; D13-Q17 PolarHBondContact O-N 2.78Å |
| 14 | S | 81.1 | Confident | 83.4 | Confident | 65 Ų | 65 | 93 Ų | 93 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -34.8 | 175.1 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | I10 L11 K16 Q17 | I10-S14 WeakPolarHBondContact O-CB 3.39Å; I10-S14 PolarHBondContact O-N 3.07Å; I10-S14 PolarHBondContact O-OG 3.5Å; L11-S14 PolarHBondContact O-N 3.24Å; S14-K16 VanDerWaalsContact C-N 3.32Å; S14-Q17 WeakPolarHBondContact O-CB 3.45Å; S14-Q17 PolarHBondContact O-N 3.42Å |
| 15 | L | 79 | Confident | 83.8 | Confident | 20 Ų | 20 | 87.5 Ų | 87.5 | 11% | 0.105 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -76.5 | -16.1 | 176.9 | -69.2 | 177.7 | 0 | 0 | 0 | 113.9 | L11 E12 D13 T22 L25 L37 V40 | L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 2.81Å; E12-L15 PolarHBondContact O-N 3.27Å; D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 3.41Å; L15-T22 VanDerWaalsContact O-CG2 3.27Å; L15-T22 WeakPolarHBondContact O-CG2 3.35Å; L15-L25 HydrophobicContact CD2-CD1 3.95Å; L15-L37 HydrophobicContact CD1-CB 4.25Å; L15-L37 HydrophobicContact CD1-CD1 3.91Å; L15-V40 HydrophobicContact CD1-CB 4.3Å; L15-V40 HydrophobicContact CD1-CG2 4.25Å; L15-V40 HydrophobicContact CD2-CB 4.36Å; L15-V40 HydrophobicContact CD2-CG1 4.38Å; L15-V40 HydrophobicContact CD2-CG2 3.72Å |
| 16 | K | 79.2 | Confident | 83.8 | Confident | 132 Ų | 132 | 87.7 Ų | 87.7 | 57% | 0.574 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -90.1 | -13.6 | 173.8 | -72.7 | 174.7 | -176 | 172.3 | 0 | 113.1 | E12 D13 S14 K18 | E12-K16 WeakPolarHBondContact O-CG 3.05Å; E12-K16 PolarHBondContact O-N 3.07Å; E12-K16 VanDerWaalsContact O-N 3.13Å; D13-K16 PolarHBondContact O-N 2.77Å; S14-K16 VanDerWaalsContact C-N 3.32Å; K16-K18 PolarHBondContact O-N 3.16Å |
| 17 | Q | 83.7 | Confident | 83.9 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 55% | 0.551 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -63.5 | 122.6 | 178.7 | -171.7 | -177.6 | 3.4 | 0 | 0 | 110.8 | D13 S14 N19 T22 | D13-Q17 PolarHBondContact O-N 2.78Å; S14-Q17 WeakPolarHBondContact O-CB 3.45Å; S14-Q17 PolarHBondContact O-N 3.42Å; Q17-N19 PolarHBondContact O-N 2.92Å; Q17-T22 WeakPolarHBondContact O-CB 3.48Å; Q17-T22 WeakPolarHBondContact O-CG2 3.39Å; Q17-T22 PolarHBondContact O-OG1 2.9Å |
| 18 | K | 77.5 | Confident | 84.1 | Confident | 198 Ų | 198 | 92.6 Ų | 92.6 | 86% | 0.861 | 44% | 0.441 | S | S | * | . | trans | -63.4 | 95.4 | -178 | -84 | -173.6 | 175.5 | -179.2 | 0 | 112.1 | K16 | K16-K18 PolarHBondContact O-N 3.16Š| ||
| 19 | N | 81.3 | Confident | 84.2 | Confident | 82 Ų | 82 | 88.7 Ų | 88.7 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | trans | -129.4 | 161.7 | 171.5 | -69.3 | -37 | 0 | 0 | 0 | 109.9 | Q17 F21 T22 G23 | Q17-N19 PolarHBondContact O-N 2.92Å; N19-F21 PolarHBondContact O-N 3.29Å; N19-T22 HydrophobicContact CB-CG2 4.48Å; N19-T22 PolarHBondContact N-OG1 3.14Å; N19-T22 PolarHBondContact O-N 2.92Å; N19-T22 PolarHBondContact O-OG1 3.26Å; N19-G23 PolarHBondContact O-N 3Å | ||
| 20 | W | 88.1 | Confident | 84.3 | Confident | 215 Ų | 215 | 89.7 Ų | 89.7 | 81% | 0.814 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -52.6 | -40.4 | 178.6 | 74.6 | -83.4 | 0 | 0 | 0 | 112.8 | G23 L24 | W20-G23 PolarHBondContact O-N 3.17Å; W20-L24 PolarHBondContact O-N 3.43Å; W20-L24 VanDerWaalsContact O-N 3.16Å |
| 21 | F | 83 | Confident | 84.5 | Confident | 85 Ų | 85 | 93.7 Ų | 93.7 | 37% | 0.373 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.3 | -177.6 | -110.8 | 0 | 0 | 0 | 112.5 | N19 G23 L24 L25 V40 | N19-F21 PolarHBondContact O-N 3.29Å; F21-G23 VanDerWaalsContact C-N 3.29Å; F21-G23 PolarHBondContact O-N 2.8Å; F21-L24 WeakPolarHBondContact O-CB 3.27Å; F21-L24 PolarHBondContact O-N 3.42Å; F21-L24 VanDerWaalsContact O-N 3.14Å; F21-L25 HydrophobicContact CD1-CD1 3.82Å; F21-L25 HydrophobicContact CD1-CG 4.34Å; F21-L25 HydrophobicContact CE1-CD1 3.52Å; F21-L25 HydrophobicContact CE1-CD2 4.5Å; F21-L25 HydrophobicContact CE1-CG 4.09Å; F21-L25 HydrophobicContact CZ-CD1 4.16Å; F21-L25 HydrophobicContact CZ-CD2 4.33Å; F21-L25 HydrophobicContact CZ-CG 4.31Å; F21-L25 WeakPolarHBondContact O-CG 3.47Å; F21-L25 PolarHBondContact O-N 3.39Å; F21-V40 HydrophobicContact CE1-CG2 4.31Å; F21-V40 HydrophobicContact CZ-CG2 4.49Å |
| 22 | T | 84.1 | Confident | 84.6 | Confident | 10 Ų | 10 | 92.7 Ų | 92.7 | 6% | 0.061 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.9 | -29.4 | 176.7 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | L15 Q17 N19 L24 L25 E26 | L15-T22 VanDerWaalsContact O-CG2 3.27Å; L15-T22 WeakPolarHBondContact O-CG2 3.35Å; Q17-T22 WeakPolarHBondContact O-CB 3.48Å; Q17-T22 WeakPolarHBondContact O-CG2 3.39Å; Q17-T22 PolarHBondContact O-OG1 2.9Å; N19-T22 HydrophobicContact CB-CG2 4.48Å; N19-T22 PolarHBondContact N-OG1 3.14Å; N19-T22 PolarHBondContact O-N 2.92Å; N19-T22 PolarHBondContact O-OG1 3.26Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L25 PolarHBondContact O-N 2.91Å; T22-E26 WeakPolarHBondContact O-CB 3.39Å; T22-E26 PolarHBondContact O-N 3.24Å |
| 23 | G | 86.2 | Confident | 84.6 | Confident | 31 Ų | 31 | 93.2 Ų | 93.2 | 32% | 0.32 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67 | -34.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N19 W20 F21 K27 | N19-G23 PolarHBondContact O-N 3Å; W20-G23 PolarHBondContact O-N 3.17Å; F21-G23 VanDerWaalsContact C-N 3.29Å; F21-G23 PolarHBondContact O-N 2.8Å; G23-K27 WeakPolarHBondContact O-CG 3.48Å; G23-K27 PolarHBondContact O-N 2.73Å |
| 24 | L | 86 | Confident | 84.7 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 169.9 | -177.1 | 65.9 | 0 | 0 | 0 | 110.9 | W20 F21 T22 E26 K27 V28 | W20-L24 PolarHBondContact O-N 3.43Å; W20-L24 VanDerWaalsContact O-N 3.16Å; F21-L24 WeakPolarHBondContact O-CB 3.27Å; F21-L24 PolarHBondContact O-N 3.42Å; F21-L24 VanDerWaalsContact O-N 3.14Å; T22-L24 VanDerWaalsContact C-N 3.34Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.08Å; L24-K27 WeakPolarHBondContact O-CB 3.15Å; L24-K27 PolarHBondContact O-N 3.36Å; L24-V28 WeakPolarHBondContact O-CG2 3.5Å; L24-V28 PolarHBondContact O-N 3.08Å |
| 25 | L | 87.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 93.3 Ų | 93.3 | 5% | 0.052 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.7 | -70.1 | 174.8 | 0 | 0 | 0 | 112.5 | L15 F21 T22 V28 E29 R36 I39 V40 | L15-L25 HydrophobicContact CD2-CD1 3.95Å; F21-L25 HydrophobicContact CD1-CD1 3.82Å; F21-L25 HydrophobicContact CD1-CG 4.34Å; F21-L25 HydrophobicContact CE1-CD1 3.52Å; F21-L25 HydrophobicContact CE1-CD2 4.5Å; F21-L25 HydrophobicContact CE1-CG 4.09Å; F21-L25 HydrophobicContact CZ-CD1 4.16Å; F21-L25 HydrophobicContact CZ-CD2 4.33Å; F21-L25 HydrophobicContact CZ-CG 4.31Å; F21-L25 WeakPolarHBondContact O-CG 3.47Å; F21-L25 PolarHBondContact O-N 3.39Å; T22-L25 PolarHBondContact O-N 2.91Å; L25-V28 PolarHBondContact O-N 2.91Å; L25-E29 VanDerWaalsContact O-CB 3.3Å; L25-E29 WeakPolarHBondContact O-CB 3.49Å; L25-E29 PolarHBondContact O-N 3.5Å; L25-R36 HydrophobicContact CB-CG 4.44Å; L25-I39 HydrophobicContact CD2-CG2 3.87Å; L25-V40 HydrophobicContact CD1-CG2 3.48Å; L25-V40 VanDerWaalsContact CD1-CG2 3.48Å; L25-V40 HydrophobicContact CD2-CG2 3.65Å; L25-V40 HydrophobicContact CG-CG2 4.23Å |
| 26 | E | 85.1 | Confident | 85.4 | Confident | 70 Ų | 70 | 95 Ų | 95 | 33% | 0.327 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.4 | -169.5 | -174.4 | 160.2 | 0 | 0 | 111.5 | T22 L24 V28 K30 | T22-E26 WeakPolarHBondContact O-CB 3.39Å; T22-E26 PolarHBondContact O-N 3.24Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.08Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-K30 HydrophobicContact CG-CD 4.48Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 3.12Å; E26-K30 VanDerWaalsContact OE1-CE 3.24Å; E26-K30 WeakPolarHBondContact OE1-CE 3.35Å; E26-K30 IonicContact OE1-NZ 2.71Å; E26-K30 PolarHBondContact OE1-NZ 3.49Å |
| 27 | K | 87.8 | Confident | 85.7 | Confident | 158 Ų | 158 | 89.7 Ų | 89.7 | 69% | 0.687 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 172.3 | -75.4 | 177.8 | -178.8 | 179.8 | 0 | 111.7 | G23 L24 K31 | G23-K27 WeakPolarHBondContact O-CG 3.48Å; G23-K27 PolarHBondContact O-N 2.73Å; L24-K27 WeakPolarHBondContact O-CB 3.15Å; L24-K27 PolarHBondContact O-N 3.36Å; K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 3.01Å |
| 28 | V | 87.6 | Confident | 85.9 | Confident | 59 Ų | 59 | 90.1 Ų | 90.1 | 36% | 0.358 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.4 | -46.9 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | L24 L25 E26 K30 K31 S32 I39 | L24-V28 WeakPolarHBondContact O-CG2 3.5Å; L24-V28 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 2.91Å; E26-V28 VanDerWaalsContact C-N 3.34Å; V28-K30 PolarHBondContact O-N 3.19Å; V28-K31 PolarHBondContact O-N 3.05Å; V28-K31 VanDerWaalsContact O-N 3.07Å; V28-S32 WeakPolarHBondContact O-CB 3.36Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.97Å; V28-S32 VanDerWaalsContact O-OG 3.07Å; V28-I39 HydrophobicContact CB-CD1 4.34Å; V28-I39 HydrophobicContact CG1-CD1 3.81Å; V28-I39 HydrophobicContact CG1-CG2 4.24Å |
| 29 | E | 86.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 82.3 Ų | 82.3 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56 | -46.9 | 175.5 | 172.7 | 179.8 | -127.5 | 0 | 0 | 111.4 | L25 K31 S32 G33 V34 R36 I39 | L25-E29 VanDerWaalsContact O-CB 3.3Å; L25-E29 WeakPolarHBondContact O-CB 3.49Å; L25-E29 PolarHBondContact O-N 3.5Å; E29-K31 PolarHBondContact O-N 3.3Å; E29-S32 PolarHBondContact O-N 3.45Å; E29-G33 VanDerWaalsContact O-CA 3.27Å; E29-G33 WeakPolarHBondContact O-CA 3.27Å; E29-G33 PolarHBondContact O-N 2.7Å; E29-V34 WeakPolarHBondContact CG-O 3.26Å; E29-R36 HydrophobicContact CB-CG 4.24Å; E29-R36 HydrophobicContact CG-CG 4.42Å; E29-R36 WeakPolarHBondContact OE1-CG 3.24Å; E29-R36 IonicContact OE1-NE 2.78Å; E29-R36 WeakPolarHBondContact OE2-CG 3.49Å; E29-R36 IonicContact OE2-CZ 3.43Å; E29-R36 VanDerWaalsContact OE2-CZ 3.31Å; E29-R36 IonicContact OE2-NE 2.8Å; E29-R36 PolarHBondContact OE2-NE 2.88Å; E29-R36 IonicContact OE2-NH2 3.17Å; E29-R36 PolarHBondContact OE2-NH2 3.03Å; E29-R36 VanDerWaalsContact OE2-NH2 3.11Å; E29-I39 HydrophobicContact CB-CD1 4.18Å |
| 30 | K | 88.7 | Confident | 86.7 | Confident | 154 Ų | 154 | 79.7 Ų | 79.7 | 67% | 0.67 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.2 | -28.6 | 177.3 | -76.1 | 178.1 | -175.3 | 169.3 | 0 | 113.4 | E26 V28 | E26-K30 HydrophobicContact CG-CD 4.48Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 3.12Å; E26-K30 VanDerWaalsContact OE1-CE 3.24Å; E26-K30 WeakPolarHBondContact OE1-CE 3.35Å; E26-K30 IonicContact OE1-NZ 2.71Å; E26-K30 PolarHBondContact OE1-NZ 3.49Å; V28-K30 PolarHBondContact O-N 3.19Å |
| 31 | K | 90.1 | Very high | 86.6 | Confident | 195 Ų | 195 | 72.6 Ų | 72.6 | 85% | 0.848 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -88.2 | -37.7 | -178.8 | -169 | 174.5 | -177.7 | -178.5 | 0 | 112.6 | K27 V28 E29 | K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 3.01Å; V28-K31 PolarHBondContact O-N 3.05Å; V28-K31 VanDerWaalsContact O-N 3.07Å; E29-K31 PolarHBondContact O-N 3.3Å |
| 32 | S | 85.5 | Confident | 87 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -92.3 | -22.6 | -178 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | V28 E29 V34 | V28-S32 WeakPolarHBondContact O-CB 3.36Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.97Å; V28-S32 VanDerWaalsContact O-OG 3.07Å; E29-S32 PolarHBondContact O-N 3.45Å; S32-V34 PolarHBondContact O-N 3.48Å; S32-V34 PolarHBondContact OG-N 3.06Å |
| 33 | G | 84.7 | Confident | 87.2 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 69% | 0.691 | 39% | 0.393 | S | S | * | . | trans | 72.5 | 8.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E29 | E29-G33 VanDerWaalsContact O-CA 3.27Å; E29-G33 WeakPolarHBondContact O-CA 3.27Å; E29-G33 PolarHBondContact O-N 2.7Å | ||
| 34 | V | 87.6 | Confident | 87.3 | Confident | 65 Ų | 65 | 73.3 Ų | 73.3 | 39% | 0.394 | 40% | 0.399 | S | S | . | . | trans | -100.2 | 135.6 | -177.8 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | E29 S32 I39 | E29-V34 WeakPolarHBondContact CG-O 3.26Å; S32-V34 PolarHBondContact O-N 3.48Å; S32-V34 PolarHBondContact OG-N 3.06Å; V34-I39 HydrophobicContact CB-CD1 4.47Å; V34-I39 HydrophobicContact CB-CG1 4.22Å; V34-I39 HydrophobicContact CG1-CG1 4.14Å; V34-I39 WeakPolarHBondContact O-CD1 3.42Å | ||
| 35 | D | 87.6 | Confident | 87.5 | Confident | 91 Ų | 91 | 72.4 Ų | 72.4 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | trans | -58.1 | 143.5 | -179.9 | -56.5 | -44.4 | 0 | 0 | 0 | 112.3 | L37 Y38 I39 | D35-L37 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact O-N 3.08Å; D35-Y38 HydrophobicContact CB-CD2 3.93Å; D35-Y38 HydrophobicContact CB-CE2 4.45Å; D35-Y38 PolarHBondContact O-N 3.48Å; D35-I39 PolarHBondContact O-N 3.45Å; D35-I39 VanDerWaalsContact O-N 3.12Å | ||
| 36 | R | 85.8 | Confident | 87.6 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 20% | 0.204 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -51.8 | -36.1 | -179.5 | -49.3 | 175.5 | -152.7 | -170.7 | -2.8 | 113.4 | L25 E29 I39 V40 | L25-R36 HydrophobicContact CB-CG 4.44Å; E29-R36 HydrophobicContact CB-CG 4.24Å; E29-R36 HydrophobicContact CG-CG 4.42Å; E29-R36 WeakPolarHBondContact OE1-CG 3.24Å; E29-R36 IonicContact OE1-NE 2.78Å; E29-R36 WeakPolarHBondContact OE2-CG 3.49Å; E29-R36 IonicContact OE2-CZ 3.43Å; E29-R36 VanDerWaalsContact OE2-CZ 3.31Å; E29-R36 IonicContact OE2-NE 2.8Å; E29-R36 PolarHBondContact OE2-NE 2.88Å; E29-R36 IonicContact OE2-NH2 3.17Å; E29-R36 PolarHBondContact OE2-NH2 3.03Å; E29-R36 VanDerWaalsContact OE2-NH2 3.11Å; R36-I39 PolarHBondContact O-N 3.33Å; R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 3.2Å |
| 37 | L | 85.6 | Confident | 87.5 | Confident | 22 Ų | 22 | 78.9 Ų | 78.9 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 179.5 | -178.5 | 67.7 | 0 | 0 | 0 | 111.5 | R8 L11 E12 L15 D35 V40 T41 | R8-L37 HydrophobicContact CG-CD2 3.97Å; L11-L37 HydrophobicContact CB-CD1 4.12Å; L11-L37 HydrophobicContact CD2-CD1 3.68Å; L11-L37 HydrophobicContact CG-CD1 4.47Å; E12-L37 HydrophobicContact CG-CD1 4.48Å; E12-L37 HydrophobicContact CG-CD2 4Å; L15-L37 HydrophobicContact CD1-CB 4.25Å; L15-L37 HydrophobicContact CD1-CD1 3.91Å; D35-L37 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact O-N 3.08Å; L37-V40 PolarHBondContact O-N 2.79Å; L37-T41 VanDerWaalsContact O-CB 3.26Å; L37-T41 WeakPolarHBondContact O-CB 3.44Å; L37-T41 PolarHBondContact O-N 3.17Å; L37-T41 PolarHBondContact O-OG1 3.33Å |
| 38 | Y | 88.5 | Confident | 87.3 | Confident | 127 Ų | 127 | 77.6 Ų | 77.6 | 50% | 0.498 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.1 | -34.2 | 178.6 | -64.4 | -68 | 0 | 0 | 0 | 111.7 | D35 G42 | D35-Y38 HydrophobicContact CB-CD2 3.93Å; D35-Y38 HydrophobicContact CB-CE2 4.45Å; D35-Y38 PolarHBondContact O-N 3.48Å; Y38-G42 WeakPolarHBondContact O-CA 3.27Å; Y38-G42 PolarHBondContact O-N 3.28Å |
| 39 | I | 87 | Confident | 87 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 17% | 0.169 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.2 | -50.3 | 173 | -65.5 | 166.7 | 0 | 0 | 0 | 110.2 | L25 V28 E29 V34 D35 R36 G42 S43 | L25-I39 HydrophobicContact CD2-CG2 3.87Å; V28-I39 HydrophobicContact CB-CD1 4.34Å; V28-I39 HydrophobicContact CG1-CD1 3.81Å; V28-I39 HydrophobicContact CG1-CG2 4.24Å; E29-I39 HydrophobicContact CB-CD1 4.18Å; V34-I39 HydrophobicContact CB-CD1 4.47Å; V34-I39 HydrophobicContact CB-CG1 4.22Å; V34-I39 HydrophobicContact CG1-CG1 4.14Å; V34-I39 WeakPolarHBondContact O-CD1 3.42Å; D35-I39 PolarHBondContact O-N 3.45Å; D35-I39 VanDerWaalsContact O-N 3.12Å; R36-I39 PolarHBondContact O-N 3.33Å; I39-G42 PolarHBondContact O-N 2.83Å; I39-S43 VanDerWaalsContact O-CB 3.27Å; I39-S43 WeakPolarHBondContact O-CB 3.45Å; I39-S43 PolarHBondContact O-N 2.85Å; I39-S43 PolarHBondContact O-OG 2.89Å |
| 40 | V | 88.4 | Confident | 86.7 | Confident | 28 Ų | 28 | 84 Ų | 84 | 17% | 0.17 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.3 | -47.8 | -179.6 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L15 F21 L25 R36 L37 G42 S43 A44 | L15-V40 HydrophobicContact CD1-CB 4.3Å; L15-V40 HydrophobicContact CD1-CG2 4.25Å; L15-V40 HydrophobicContact CD2-CB 4.36Å; L15-V40 HydrophobicContact CD2-CG1 4.38Å; L15-V40 HydrophobicContact CD2-CG2 3.72Å; F21-V40 HydrophobicContact CE1-CG2 4.31Å; F21-V40 HydrophobicContact CZ-CG2 4.49Å; L25-V40 HydrophobicContact CD1-CG2 3.48Å; L25-V40 VanDerWaalsContact CD1-CG2 3.48Å; L25-V40 HydrophobicContact CD2-CG2 3.65Å; L25-V40 HydrophobicContact CG-CG2 4.23Å; R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 3.2Å; L37-V40 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact C-N 3.34Å; V40-G42 PolarHBondContact O-N 3.45Å; V40-S43 WeakPolarHBondContact CA-OG 3.29Å; V40-S43 PolarHBondContact O-N 3.3Å; V40-S43 PolarHBondContact O-OG 3.43Å; V40-A44 VanDerWaalsContact O-CB 3.31Å; V40-A44 WeakPolarHBondContact O-CB 3.42Å; V40-A44 PolarHBondContact O-N 2.99Å |
| 41 | T | 87 | Confident | 86 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 41% | 0.405 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 178 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | L37 A44 V45 | L37-T41 VanDerWaalsContact O-CB 3.26Å; L37-T41 WeakPolarHBondContact O-CB 3.44Å; L37-T41 PolarHBondContact O-N 3.17Å; L37-T41 PolarHBondContact O-OG1 3.33Å; T41-A44 PolarHBondContact O-N 3.18Å; T41-V45 VanDerWaalsContact O-CG2 3.29Å; T41-V45 WeakPolarHBondContact O-CG2 3.24Å; T41-V45 PolarHBondContact O-N 2.84Å |
| 42 | G | 89.5 | Confident | 85.1 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 34% | 0.34 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y38 I39 V40 A44 V45 V46 | Y38-G42 WeakPolarHBondContact O-CA 3.27Å; Y38-G42 PolarHBondContact O-N 3.28Å; I39-G42 PolarHBondContact O-N 2.83Å; V40-G42 VanDerWaalsContact C-N 3.34Å; V40-G42 PolarHBondContact O-N 3.45Å; G42-A44 VanDerWaalsContact C-N 3.33Å; G42-A44 PolarHBondContact O-N 3.32Å; G42-V45 PolarHBondContact O-N 2.81Å; G42-V46 WeakPolarHBondContact O-CB 3.3Å; G42-V46 VanDerWaalsContact O-CG2 3.3Å; G42-V46 WeakPolarHBondContact O-CG2 3.49Å; G42-V46 PolarHBondContact O-N 3.28Å |
| 43 | S | 88.4 | Confident | 84.5 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.9 | 72 | 0 | 0 | 0 | 0 | 112.3 | I39 V40 V46 M47 | I39-S43 VanDerWaalsContact O-CB 3.27Å; I39-S43 WeakPolarHBondContact O-CB 3.45Å; I39-S43 PolarHBondContact O-N 2.85Å; I39-S43 PolarHBondContact O-OG 2.89Å; V40-S43 WeakPolarHBondContact CA-OG 3.29Å; V40-S43 PolarHBondContact O-N 3.3Å; V40-S43 PolarHBondContact O-OG 3.43Å; S43-V46 PolarHBondContact O-N 3.44Å; S43-M47 VanDerWaalsContact O-CB 3.24Å; S43-M47 WeakPolarHBondContact O-CB 3.31Å; S43-M47 PolarHBondContact O-N 2.77Å |
| 44 | A | 89 | Confident | 83.8 | Confident | 52 Ų | 52 | 77 Ų | 77 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | V40 T41 G42 M47 F48 | V40-A44 VanDerWaalsContact O-CB 3.31Å; V40-A44 WeakPolarHBondContact O-CB 3.42Å; V40-A44 PolarHBondContact O-N 2.99Å; T41-A44 PolarHBondContact O-N 3.18Å; G42-A44 VanDerWaalsContact C-N 3.33Å; G42-A44 PolarHBondContact O-N 3.32Å; A44-M47 PolarHBondContact O-N 3.14Å; A44-F48 VanDerWaalsContact O-CB 3.24Å; A44-F48 WeakPolarHBondContact O-CB 3.25Å; A44-F48 PolarHBondContact O-N 2.8Å |
| 45 | V | 91.3 | Very high | 82.9 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | T41 G42 M47 F48 L49 | T41-V45 VanDerWaalsContact O-CG2 3.29Å; T41-V45 WeakPolarHBondContact O-CG2 3.24Å; T41-V45 PolarHBondContact O-N 2.84Å; G42-V45 PolarHBondContact O-N 2.81Å; V45-M47 VanDerWaalsContact C-N 3.33Å; V45-M47 PolarHBondContact O-N 3.29Å; V45-F48 PolarHBondContact O-N 3.23Å; V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CB 3.41Å; V45-L49 VanDerWaalsContact O-CG 3.25Å; V45-L49 WeakPolarHBondContact O-CG 3.24Å; V45-L49 PolarHBondContact O-N 2.87Å |
| 46 | V | 88.1 | Confident | 82.2 | Confident | 98 Ų | 98 | 78.4 Ų | 78.4 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 111 | G42 S43 L49 Y50 | G42-V46 WeakPolarHBondContact O-CB 3.3Å; G42-V46 VanDerWaalsContact O-CG2 3.3Å; G42-V46 WeakPolarHBondContact O-CG2 3.49Å; G42-V46 PolarHBondContact O-N 3.28Å; S43-V46 PolarHBondContact O-N 3.44Å; V46-L49 PolarHBondContact O-N 2.78Å; V46-Y50 VanDerWaalsContact O-CB 3.25Å; V46-Y50 WeakPolarHBondContact O-CB 3.47Å; V46-Y50 PolarHBondContact O-N 3.24Å |
| 47 | M | 83.6 | Confident | 81.8 | Confident | 119 Ų | 119 | 76.9 Ų | 76.9 | 59% | 0.586 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 175.3 | -173.2 | -176.8 | -60.3 | 0 | 0 | 111.4 | S43 A44 V45 Y50 L51 | S43-M47 VanDerWaalsContact O-CB 3.24Å; S43-M47 WeakPolarHBondContact O-CB 3.31Å; S43-M47 PolarHBondContact O-N 2.77Å; A44-M47 PolarHBondContact O-N 3.14Å; V45-M47 VanDerWaalsContact C-N 3.33Å; V45-M47 PolarHBondContact O-N 3.29Å; M47-Y50 PolarHBondContact O-N 3.45Å; M47-L51 HydrophobicContact CG-CD1 4.5Å; M47-L51 WeakPolarHBondContact O-CB 3.32Å; M47-L51 VanDerWaalsContact O-CG 3.27Å; M47-L51 WeakPolarHBondContact O-CG 3.11Å; M47-L51 PolarHBondContact O-N 3.41Å |
| 48 | F | 82.7 | Confident | 81.4 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 176.5 | -173.9 | -102.9 | 0 | 0 | 0 | 111.8 | A44 V45 L51 I52 | A44-F48 VanDerWaalsContact O-CB 3.24Å; A44-F48 WeakPolarHBondContact O-CB 3.25Å; A44-F48 PolarHBondContact O-N 2.8Å; V45-F48 PolarHBondContact O-N 3.23Å; F48-L51 PolarHBondContact O-N 2.78Å; F48-I52 HydrophobicContact CD1-CD1 3.7Å; F48-I52 HydrophobicContact CD1-CG1 4.47Å; F48-I52 HydrophobicContact CE1-CD1 3.22Å; F48-I52 HydrophobicContact CE1-CG1 4.24Å; F48-I52 HydrophobicContact CZ-CD1 3.7Å; F48-I52 HydrophobicContact CZ-CG1 4.45Å; F48-I52 WeakPolarHBondContact O-CG1 3.34Å; F48-I52 PolarHBondContact O-N 3.32Å |
| 49 | L | 82.2 | Confident | 81 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 40% | 0.403 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 173.9 | -69.7 | 173.9 | 0 | 0 | 0 | 111.2 | V45 V46 L51 I52 F53 | V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CB 3.41Å; V45-L49 VanDerWaalsContact O-CG 3.25Å; V45-L49 WeakPolarHBondContact O-CG 3.24Å; V45-L49 PolarHBondContact O-N 2.87Å; V46-L49 PolarHBondContact O-N 2.78Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L49-L51 PolarHBondContact O-N 2.8Å; L49-I52 PolarHBondContact O-N 2.95Å; L49-F53 HydrophobicContact CB-CD2 4.35Å; L49-F53 HydrophobicContact CD2-CE2 4.19Å; L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.41Å |
| 50 | Y | 79.2 | Confident | 80.8 | Confident | 157 Ų | 157 | 78.8 Ų | 78.8 | 62% | 0.616 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 175.4 | 175.2 | -98.1 | 0 | 0 | 0 | 111.3 | V46 M47 G54 | V46-Y50 VanDerWaalsContact O-CB 3.25Å; V46-Y50 WeakPolarHBondContact O-CB 3.47Å; V46-Y50 PolarHBondContact O-N 3.24Å; M47-Y50 PolarHBondContact O-N 3.45Å; Y50-G54 WeakPolarHBondContact O-CA 3.25Å; Y50-G54 PolarHBondContact O-N 2.94Å |
| 51 | L | 74.4 | Confident | 80.5 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 173.2 | -73.4 | 174.8 | 0 | 0 | 0 | 109.7 | M47 F48 L49 F53 G54 Y55 G56 | M47-L51 HydrophobicContact CG-CD1 4.5Å; M47-L51 WeakPolarHBondContact O-CB 3.32Å; M47-L51 VanDerWaalsContact O-CG 3.27Å; M47-L51 WeakPolarHBondContact O-CG 3.11Å; M47-L51 PolarHBondContact O-N 3.41Å; F48-L51 PolarHBondContact O-N 2.78Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L49-L51 PolarHBondContact O-N 2.8Å; L51-F53 PolarHBondContact O-N 3.47Å; L51-G54 PolarHBondContact O-N 3.44Å; L51-Y55 PolarHBondContact O-N 3.41Å; L51-Y55 VanDerWaalsContact O-N 3.08Å; L51-G56 WeakPolarHBondContact O-CA 3.27Å; L51-G56 PolarHBondContact O-N 3.06Å |
| 52 | I | 72.1 | Confident | 80.5 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | I | π-helix | trans | -57.6 | -50.3 | 178.4 | -73 | 177.3 | 0 | 0 | 0 | 112.5 | F48 L49 G56 T57 L60 | F48-I52 HydrophobicContact CD1-CD1 3.7Å; F48-I52 HydrophobicContact CD1-CG1 4.47Å; F48-I52 HydrophobicContact CE1-CD1 3.22Å; F48-I52 HydrophobicContact CE1-CG1 4.24Å; F48-I52 HydrophobicContact CZ-CD1 3.7Å; F48-I52 HydrophobicContact CZ-CG1 4.45Å; F48-I52 WeakPolarHBondContact O-CG1 3.34Å; F48-I52 PolarHBondContact O-N 3.32Å; L49-I52 PolarHBondContact O-N 2.95Å; I52-G56 CarbonylContact O-C 3.6Å; I52-T57 VanDerWaalsContact O-CG2 3.27Å; I52-T57 WeakPolarHBondContact O-CG2 3.45Å; I52-T57 PolarHBondContact O-N 3.4Å; I52-L60 HydrophobicContact CG1-CD1 4.34Å; I52-L60 HydrophobicContact CG2-CD1 4.34Å |
| 53 | F | 71.4 | Confident | 80.4 | Confident | 163 Ų | 163 | 77.6 Ų | 77.6 | 72% | 0.715 | 40% | 0.399 | S | S | * | . | I | π-helix | trans | -78.2 | -24.6 | -175 | -76.4 | -71.5 | 0 | 0 | 0 | 113.7 | L49 L51 | L49-F53 HydrophobicContact CB-CD2 4.35Å; L49-F53 HydrophobicContact CD2-CE2 4.19Å; L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.41Å; L51-F53 PolarHBondContact O-N 3.47Å |
| 54 | G | 70.6 | Confident | 80.3 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -88 | -72.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y50 L51 | Y50-G54 WeakPolarHBondContact O-CA 3.25Å; Y50-G54 PolarHBondContact O-N 2.94Å; L51-G54 PolarHBondContact O-N 3.44Å |
| 55 | Y | 68.9 | Low | 80.1 | Confident | 176 Ų | 176 | 77.5 Ų | 77.5 | 69% | 0.69 | 39% | 0.386 | S | S | * | . | I | π-helix | trans | -107.4 | -17.3 | -173.7 | -69.4 | -81.6 | 0 | 0 | 0 | 113.5 | L51 F59 | L51-Y55 PolarHBondContact O-N 3.41Å; L51-Y55 VanDerWaalsContact O-N 3.08Å; Y55-F59 PolarHBondContact O-N 3.37Å |
| 56 | G | 72.9 | Confident | 80 | Confident | 9 Ų | 9 | 78.8 Ų | 78.8 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -80.3 | -20.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L51 I52 F59 L60 | L51-G56 WeakPolarHBondContact O-CA 3.27Å; L51-G56 PolarHBondContact O-N 3.06Å; I52-G56 CarbonylContact O-C 3.6Å; G56-F59 PolarHBondContact O-N 3.3Å; G56-L60 WeakPolarHBondContact O-CB 3.41Å; G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 3.02Å |
| 57 | T | 76.3 | Confident | 80.2 | Confident | 21 Ų | 21 | 79 Ų | 79 | 13% | 0.129 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 172 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | I52 A61 L117 | I52-T57 VanDerWaalsContact O-CG2 3.27Å; I52-T57 WeakPolarHBondContact O-CG2 3.45Å; I52-T57 PolarHBondContact O-N 3.4Å; T57-A61 VanDerWaalsContact O-CB 3.23Å; T57-A61 WeakPolarHBondContact O-CB 3.21Å; T57-A61 PolarHBondContact O-N 2.86Å; T57-L117 HydrophobicContact CG2-CD1 3.87Å |
| 58 | S | 77.1 | Confident | 80.4 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.5 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | A61 N62 E102 S120 | S58-A61 PolarHBondContact O-N 3.45Å; S58-N62 WeakPolarHBondContact O-CB 3.16Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 2.92Å; S58-E102 PolarHBondContact OG-OE1 2.96Å; S58-S120 WeakPolarHBondContact CA-OG 3.37Å; S58-S120 PolarHBondContact OG-OG 2.96Å |
| 59 | F | 80.4 | Confident | 80.7 | Confident | 131 Ų | 131 | 73.1 Ų | 73.1 | 58% | 0.575 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64 | -45.4 | 176.4 | -179.5 | -109.9 | 0 | 0 | 0 | 112.6 | Y55 G56 N62 L63 | Y55-F59 PolarHBondContact O-N 3.37Å; G56-F59 PolarHBondContact O-N 3.3Å; F59-N62 PolarHBondContact O-N 2.81Å; F59-L63 HydrophobicContact CD1-CD1 3.8Å; F59-L63 HydrophobicContact CD1-CG 4.35Å; F59-L63 HydrophobicContact CE1-CD1 3.24Å; F59-L63 HydrophobicContact CE1-CG 3.97Å; F59-L63 HydrophobicContact CE2-CD1 4.35Å; F59-L63 HydrophobicContact CE2-CG 4.23Å; F59-L63 HydrophobicContact CZ-CD1 3.56Å; F59-L63 HydrophobicContact CZ-CD2 4.24Å; F59-L63 HydrophobicContact CZ-CG 3.89Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 3.19Å |
| 60 | L | 82.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.4 | -74.9 | 169.6 | 0 | 0 | 0 | 111.4 | I52 G56 L63 I64 | I52-L60 HydrophobicContact CG1-CD1 4.34Å; I52-L60 HydrophobicContact CG2-CD1 4.34Å; G56-L60 WeakPolarHBondContact O-CB 3.41Å; G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 3.02Å; L60-L63 PolarHBondContact O-N 3.38Å; L60-I64 WeakPolarHBondContact O-CB 3.47Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.15Å; L60-I64 PolarHBondContact O-N 2.93Å |
| 61 | A | 83.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T57 S58 I64 G65 F123 L124 | T57-A61 VanDerWaalsContact O-CB 3.23Å; T57-A61 WeakPolarHBondContact O-CB 3.21Å; T57-A61 PolarHBondContact O-N 2.86Å; S58-A61 PolarHBondContact O-N 3.45Å; A61-I64 PolarHBondContact O-N 3.38Å; A61-G65 PolarHBondContact O-N 2.8Å; A61-F123 HydrophobicContact CB-CD1 4.33Å; A61-L124 HydrophobicContact CB-CD1 3.79Å; A61-L124 HydrophobicContact CB-CD2 4.29Å; A61-L124 HydrophobicContact CB-CG 3.7Å; A61-L124 WeakPolarHBondContact O-CD2 3.16Å |
| 62 | N | 85.5 | Confident | 82.4 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 175 | -77.5 | -46.5 | 0 | 0 | 0 | 112.2 | S58 F59 G65 F66 E102 F123 | S58-N62 WeakPolarHBondContact O-CB 3.16Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 2.92Å; F59-N62 PolarHBondContact O-N 2.81Å; N62-G65 CarbonylContact O-C 3.44Å; N62-G65 PolarHBondContact O-N 3.34Å; N62-F66 WeakPolarHBondContact O-CB 3.44Å; N62-F66 PolarHBondContact O-N 2.92Å; N62-E102 PolarHBondContact ND2-OE2 3.33Å; N62-F123 WeakPolarHBondContact OD1-CE1 3.09Å |
| 63 | L | 87.8 | Confident | 83.3 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 175.5 | -84.3 | -178.4 | 0 | 0 | 0 | 112.7 | F59 L60 F66 I67 | F59-L63 HydrophobicContact CD1-CD1 3.8Å; F59-L63 HydrophobicContact CD1-CG 4.35Å; F59-L63 HydrophobicContact CE1-CD1 3.24Å; F59-L63 HydrophobicContact CE1-CG 3.97Å; F59-L63 HydrophobicContact CE2-CD1 4.35Å; F59-L63 HydrophobicContact CE2-CG 4.23Å; F59-L63 HydrophobicContact CZ-CD1 3.56Å; F59-L63 HydrophobicContact CZ-CD2 4.24Å; F59-L63 HydrophobicContact CZ-CG 3.89Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 3.19Å; L60-L63 PolarHBondContact O-N 3.38Å; L63-F66 PolarHBondContact O-N 3.41Å; L63-I67 HydrophobicContact CB-CD1 4.42Å; L63-I67 HydrophobicContact CD2-CD1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.35Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.39Å |
| 64 | I | 86.4 | Confident | 84.3 | Confident | 102 Ų | 102 | 65 Ų | 65 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 179.2 | -68.2 | 164.2 | 0 | 0 | 0 | 110 | L60 A61 F66 L124 | L60-I64 WeakPolarHBondContact O-CB 3.47Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.15Å; L60-I64 PolarHBondContact O-N 2.93Å; A61-I64 PolarHBondContact O-N 3.38Å; I64-F66 PolarHBondContact O-N 2.94Å; I64-L124 HydrophobicContact CB-CD2 3.82Å; I64-L124 HydrophobicContact CG2-CD2 3.69Å |
| 65 | G | 84.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -17.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A61 N62 P69 Y91 | A61-G65 PolarHBondContact O-N 2.8Å; N62-G65 CarbonylContact O-C 3.44Å; N62-G65 PolarHBondContact O-N 3.34Å; G65-P69 WeakPolarHBondContact O-CD 3.31Å; G65-P69 VanDerWaalsContact O-CG 3.25Å; G65-P69 WeakPolarHBondContact O-CG 3.39Å; G65-Y91 PolarHBondContact O-OH 3.3Å; G65-Y91 VanDerWaalsContact O-OH 3.06Å |
| 66 | F | 90.2 | Very high | 86.3 | Confident | 104 Ų | 104 | 60.5 Ų | 60.5 | 46% | 0.456 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -93.4 | -54.4 | 176.6 | 178.2 | -94.8 | 0 | 0 | 0 | 112.6 | N62 L63 I64 Y68 P69 A70 W92 | N62-F66 WeakPolarHBondContact O-CB 3.44Å; N62-F66 PolarHBondContact O-N 2.92Å; L63-F66 PolarHBondContact O-N 3.41Å; I64-F66 PolarHBondContact O-N 2.94Å; F66-Y68 PolarHBondContact O-N 3.46Å; F66-P69 WeakPolarHBondContact O-CD 3.45Å; F66-A70 HydrophobicContact CD1-CB 4.47Å; F66-A70 HydrophobicContact CE1-CB 4.21Å; F66-A70 HydrophobicContact CZ-CB 4.26Å; F66-A70 WeakPolarHBondContact O-CB 3.33Å; F66-A70 PolarHBondContact O-N 2.92Å; F66-W92 AromaticContact CD2-CH2 3.47Å; F66-W92 HydrophobicContact CD2-CH2 3.47Å; F66-W92 VanDerWaalsContact CD2-CH2 3.47Å; F66-W92 AromaticContact CD2-CZ3 3.8Å; F66-W92 HydrophobicContact CD2-CZ3 3.8Å; F66-W92 AromaticContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CZ3 4.21Å; F66-W92 HydrophobicContact CG-CH2 4.31Å |
| 67 | I | 91.3 | Very high | 87.1 | Confident | 103 Ų | 103 | 66 Ų | 66 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | -165.5 | -70.9 | 167.8 | 0 | 0 | 0 | 111.9 | L63 Y71 | L63-I67 HydrophobicContact CB-CD1 4.42Å; L63-I67 HydrophobicContact CD2-CD1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.35Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.39Å; I67-Y71 PolarHBondContact O-N 3.33Å |
| 68 | Y | 88 | Confident | 87.8 | Confident | 123 Ų | 123 | 73 Ų | 73 | 48% | 0.482 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.3 | -50.1 | -176.1 | 173 | -89.2 | 0 | 0 | 0 | 111.8 | F66 A70 Y71 R72 W88 P129 | F66-Y68 PolarHBondContact O-N 3.46Å; Y68-A70 VanDerWaalsContact C-N 3.34Å; Y68-A70 PolarHBondContact O-N 3.21Å; Y68-Y71 PolarHBondContact O-N 3.08Å; Y68-R72 HydrophobicContact CD1-CG 4.34Å; Y68-R72 HydrophobicContact CE1-CG 3.86Å; Y68-R72 HydrophobicContact CE2-CG 4.24Å; Y68-R72 WeakPolarHBondContact O-CG 3.22Å; Y68-R72 PolarHBondContact O-N 3.48Å; Y68-W88 HydrophobicContact CE1-CH2 4.42Å; Y68-P129 HydrophobicContact CD1-CG 3.86Å; Y68-P129 HydrophobicContact CE1-CG 3.48Å; Y68-P129 VanDerWaalsContact CE1-CG 3.48Å |
| 69 | P | 88.6 | Confident | 88.2 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 175.5 | -27.1 | 40.2 | 0 | 0 | 0 | 113.4 | G65 F66 R72 S73 W88 Y91 W92 | G65-P69 WeakPolarHBondContact O-CD 3.31Å; G65-P69 VanDerWaalsContact O-CG 3.25Å; G65-P69 WeakPolarHBondContact O-CG 3.39Å; F66-P69 WeakPolarHBondContact O-CD 3.45Å; P69-R72 PolarHBondContact O-N 2.75Å; P69-S73 VanDerWaalsContact O-CB 3.26Å; P69-S73 WeakPolarHBondContact O-CB 3.5Å; P69-S73 PolarHBondContact O-N 3.39Å; P69-S73 PolarHBondContact O-OG 3.41Å; P69-W88 HydrophobicContact CB-CE3 4.08Å; P69-W88 HydrophobicContact CB-CZ3 3.81Å; P69-W88 HydrophobicContact CG-CZ3 4.4Å; P69-Y91 HydrophobicContact CB-CD1 3.67Å; P69-Y91 HydrophobicContact CB-CE1 3.3Å; P69-Y91 HydrophobicContact CG-CD1 4.14Å; P69-Y91 HydrophobicContact CG-CE1 3.34Å; P69-Y91 HydrophobicContact CG-CE2 4.19Å; P69-Y91 WeakPolarHBondContact CG-OH 3.47Å; P69-W92 HydrophobicContact CB-CZ2 4.47Å |
| 70 | A | 92.3 | Very high | 88.5 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F66 Y68 R72 S73 I74 W92 | F66-A70 HydrophobicContact CD1-CB 4.47Å; F66-A70 HydrophobicContact CE1-CB 4.21Å; F66-A70 HydrophobicContact CZ-CB 4.26Å; F66-A70 WeakPolarHBondContact O-CB 3.33Å; F66-A70 PolarHBondContact O-N 2.92Å; Y68-A70 VanDerWaalsContact C-N 3.34Å; Y68-A70 PolarHBondContact O-N 3.21Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.49Å; A70-S73 PolarHBondContact O-N 2.83Å; A70-I74 WeakPolarHBondContact O-CG1 3.27Å; A70-I74 PolarHBondContact O-N 2.61Å; A70-W92 HydrophobicContact CB-CH2 4.26Å; A70-W92 HydrophobicContact CB-CZ2 4.03Å |
| 71 | Y | 91.3 | Very high | 88.7 | Confident | 131 Ų | 131 | 74.6 Ų | 74.6 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.3 | 175.8 | -103.8 | 0 | 0 | 0 | 112.2 | I67 Y68 K75 | I67-Y71 PolarHBondContact O-N 3.33Å; Y68-Y71 PolarHBondContact O-N 3.08Å; Y71-K75 HydrophobicContact CE1-CD 4.05Å; Y71-K75 VanDerWaalsContact CZ-CE 3.45Å; Y71-K75 PolarHBondContact O-N 2.99Å; Y71-K75 VanDerWaalsContact O-N 3.16Å; Y71-K75 WeakPolarHBondContact OH-CE 2.85Å; Y71-K75 PolarHBondContact OH-NZ 3.01Å |
| 72 | R | 89.1 | Confident | 88.8 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.9 | -33.5 | 178.1 | -67.9 | -65.8 | -59 | -170 | 2.4 | 113 | Y68 P69 A70 K75 A76 W88 | Y68-R72 HydrophobicContact CD1-CG 4.34Å; Y68-R72 HydrophobicContact CE1-CG 3.86Å; Y68-R72 HydrophobicContact CE2-CG 4.24Å; Y68-R72 WeakPolarHBondContact O-CG 3.22Å; Y68-R72 PolarHBondContact O-N 3.48Å; P69-R72 PolarHBondContact O-N 2.75Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.49Å; R72-K75 PolarHBondContact O-N 3.46Å; R72-A76 PolarHBondContact O-N 2.95Å; R72-W88 HydrophobicContact CB-CD2 4.2Å; R72-W88 HydrophobicContact CB-CE3 4.34Å; R72-W88 HydrophobicContact CB-CH2 3.42Å; R72-W88 VanDerWaalsContact CB-CH2 3.42Å; R72-W88 HydrophobicContact CB-CZ2 3.22Å; R72-W88 HydrophobicContact CB-CZ3 3.99Å; R72-W88 HydrophobicContact CG-CH2 3.77Å; R72-W88 HydrophobicContact CG-CZ2 3.81Å |
| 73 | S | 91 | Very high | 88.8 | Confident | 15 Ų | 15 | 83.2 Ų | 83.2 | 11% | 0.105 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 176 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | P69 A70 K75 A76 L77 W88 W92 | P69-S73 VanDerWaalsContact O-CB 3.26Å; P69-S73 WeakPolarHBondContact O-CB 3.5Å; P69-S73 PolarHBondContact O-N 3.39Å; P69-S73 PolarHBondContact O-OG 3.41Å; A70-S73 PolarHBondContact O-N 2.83Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.9Å; S73-A76 WeakPolarHBondContact O-CA 3.45Å; S73-A76 WeakPolarHBondContact O-CB 3.39Å; S73-A76 PolarHBondContact O-N 2.91Å; S73-L77 WeakPolarHBondContact O-CG 3.43Å; S73-L77 PolarHBondContact O-N 3.35Å; S73-W88 WeakPolarHBondContact OG-CB 3.16Å; S73-W92 PolarHBondContact OG-NE1 3.29Å |
| 74 | I | 92.9 | Very high | 88.7 | Confident | 106 Ų | 106 | 83.2 Ų | 83.2 | 54% | 0.544 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 173.4 | -67.8 | 166 | 0 | 0 | 0 | 110.1 | A70 A76 L77 E78 | A70-I74 WeakPolarHBondContact O-CG1 3.27Å; A70-I74 PolarHBondContact O-N 2.61Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 2.97Å; I74-L77 PolarHBondContact O-N 3.37Å; I74-E78 PolarHBondContact O-N 2.99Å |
| 75 | K | 90.7 | Very high | 88.7 | Confident | 110 Ų | 110 | 81.2 Ų | 81.2 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63 | -31.8 | 173.9 | -79.2 | -164.9 | 169.1 | -179.8 | 0 | 113.7 | Y71 R72 S73 E78 | Y71-K75 HydrophobicContact CE1-CD 4.05Å; Y71-K75 VanDerWaalsContact CZ-CE 3.45Å; Y71-K75 PolarHBondContact O-N 2.99Å; Y71-K75 VanDerWaalsContact O-N 3.16Å; Y71-K75 WeakPolarHBondContact OH-CE 2.85Å; Y71-K75 PolarHBondContact OH-NZ 3.01Å; R72-K75 PolarHBondContact O-N 3.46Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.9Å; K75-E78 PolarHBondContact O-N 3.38Å |
| 76 | A | 89.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 85 Ų | 85 | 3% | 0.033 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R72 S73 I74 E78 T79 D84 W88 | R72-A76 PolarHBondContact O-N 2.95Å; S73-A76 WeakPolarHBondContact O-CA 3.45Å; S73-A76 WeakPolarHBondContact O-CB 3.39Å; S73-A76 PolarHBondContact O-N 2.91Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 2.97Å; A76-E78 PolarHBondContact O-N 3.45Å; A76-T79 WeakPolarHBondContact O-CG2 3.45Å; A76-T79 PolarHBondContact O-N 3.28Å; A76-D84 HydrophobicContact CB-CB 3.95Å; A76-W88 HydrophobicContact CB-CG 4.39Å |
| 77 | L | 90.4 | Very high | 88.7 | Confident | 126 Ų | 126 | 82.7 Ų | 82.7 | 66% | 0.66 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.2 | -22.5 | 177 | -68.2 | 171.1 | 0 | 0 | 0 | 113.7 | S73 I74 | S73-L77 WeakPolarHBondContact O-CG 3.43Å; S73-L77 PolarHBondContact O-N 3.35Å; I74-L77 PolarHBondContact O-N 3.37Å |
| 78 | E | 90.3 | Very high | 88.7 | Confident | 166 Ų | 166 | 78.3 Ų | 78.3 | 78% | 0.776 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.9 | 175.8 | -60.8 | -64.4 | 155.6 | 0 | 0 | 113 | I74 K75 A76 | I74-E78 PolarHBondContact O-N 2.99Å; K75-E78 PolarHBondContact O-N 3.38Å; A76-E78 PolarHBondContact O-N 3.45Å |
| 79 | T | 86.8 | Confident | 88.8 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -93.1 | 151.9 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | A76 D81 D84 | A76-T79 WeakPolarHBondContact O-CG2 3.45Å; A76-T79 PolarHBondContact O-N 3.28Å; T79-D81 HydrophobicContact CG2-CB 4.11Å; T79-D81 PolarHBondContact O-N 3.09Å; T79-D81 PolarHBondContact OG1-N 3.26Å; T79-D84 HydrophobicContact CG2-CB 3.98Å |
| 80 | S | 86.7 | Confident | 88.8 | Confident | 125 Ų | 125 | 78.8 Ų | 78.8 | 87% | 0.874 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -78.6 | -3.3 | 171.9 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | K82 | S80-K82 PolarHBondContact O-N 2.72Š|
| 81 | D | 86.8 | Confident | 88.7 | Confident | 79 Ų | 79 | 78.4 Ų | 78.4 | 42% | 0.422 | 40% | 0.404 | S | S | . | . | trans | -84 | 106.8 | -176.1 | -169.7 | -3.5 | 0 | 0 | 0 | 112.7 | T79 A83 D84 | T79-D81 HydrophobicContact CG2-CB 4.11Å; T79-D81 PolarHBondContact O-N 3.09Å; T79-D81 PolarHBondContact OG1-N 3.26Å; D81-A83 PolarHBondContact O-N 3.44Å; D81-A83 VanDerWaalsContact OD1-CB 3.24Å; D81-A83 WeakPolarHBondContact OD1-CB 3.23Å; D81-A83 PolarHBondContact OD1-N 3.36Å; D81-D84 PolarHBondContact O-N 2.72Å | ||
| 82 | K | 85.8 | Confident | 88.7 | Confident | 167 Ų | 167 | 75.4 Ų | 75.4 | 73% | 0.726 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.8 | -21.2 | 176.4 | -64.9 | -169.6 | 176.4 | -174.6 | 0 | 113.8 | S80 D84 D85 T86 | S80-K82 PolarHBondContact O-N 2.72Å; K82-D84 VanDerWaalsContact C-N 3.31Å; K82-D85 PolarHBondContact O-N 3.18Å; K82-T86 WeakPolarHBondContact O-CB 3.32Å; K82-T86 PolarHBondContact O-N 3.19Å; K82-T86 PolarHBondContact O-OG1 2.98Å |
| 83 | A | 84.6 | Confident | 88.9 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | D81 T86 K87 | D81-A83 PolarHBondContact O-N 3.44Å; D81-A83 VanDerWaalsContact OD1-CB 3.24Å; D81-A83 WeakPolarHBondContact OD1-CB 3.23Å; D81-A83 PolarHBondContact OD1-N 3.36Å; A83-T86 PolarHBondContact O-N 3.32Å; A83-K87 WeakPolarHBondContact O-CB 3.38Å; A83-K87 PolarHBondContact O-N 3.46Å |
| 84 | D | 85.4 | Confident | 88.8 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 175.4 | -82.3 | -24.9 | 0 | 0 | 0 | 110.8 | A76 T79 D81 K82 T86 K87 W88 | A76-D84 HydrophobicContact CB-CB 3.95Å; T79-D84 HydrophobicContact CG2-CB 3.98Å; D81-D84 PolarHBondContact O-N 2.72Å; K82-D84 VanDerWaalsContact C-N 3.31Å; D84-T86 PolarHBondContact O-N 3.03Å; D84-K87 WeakPolarHBondContact O-CB 3.44Å; D84-K87 PolarHBondContact O-N 2.91Å; D84-W88 PolarHBondContact O-N 2.83Å |
| 85 | D | 87.1 | Confident | 88.7 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 32% | 0.316 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 175.3 | -68.9 | -26.8 | 0 | 0 | 0 | 111.9 | K82 K87 W88 L89 | K82-D85 PolarHBondContact O-N 3.18Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 3.31Å; D85-W88 PolarHBondContact O-N 2.8Å; D85-L89 VanDerWaalsContact O-CB 3.29Å; D85-L89 WeakPolarHBondContact O-CB 3.44Å; D85-L89 PolarHBondContact O-N 2.92Å |
| 86 | T | 87.5 | Confident | 88.7 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 179.7 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | K82 A83 D84 T90 | K82-T86 WeakPolarHBondContact O-CB 3.32Å; K82-T86 PolarHBondContact O-N 3.19Å; K82-T86 PolarHBondContact O-OG1 2.98Å; A83-T86 PolarHBondContact O-N 3.32Å; D84-T86 PolarHBondContact O-N 3.03Å; T86-T90 VanDerWaalsContact O-CB 3.3Å; T86-T90 WeakPolarHBondContact O-CB 3.25Å; T86-T90 PolarHBondContact O-N 3.33Å; T86-T90 PolarHBondContact O-OG1 3.39Å |
| 87 | K | 87.3 | Confident | 88.7 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 24% | 0.239 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 177.6 | 173.7 | 179.6 | 173.4 | 170.3 | 0 | 111.7 | A83 D84 D85 T90 Y91 N133 | A83-K87 WeakPolarHBondContact O-CB 3.38Å; A83-K87 PolarHBondContact O-N 3.46Å; D84-K87 WeakPolarHBondContact O-CB 3.44Å; D84-K87 PolarHBondContact O-N 2.91Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 3.31Å; K87-T90 PolarHBondContact O-N 2.88Å; K87-Y91 PolarHBondContact O-N 2.96Å; K87-N133 VanDerWaalsContact CE-ND2 3.35Å; K87-N133 WeakPolarHBondContact CE-ND2 3.32Å; K87-N133 WeakPolarHBondContact CE-OD1 3.33Å; K87-N133 PolarHBondContact NZ-OD1 2.73Å |
| 88 | W | 89.8 | Confident | 88.6 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.1 | -35.6 | -178.3 | -66.4 | 110.9 | 0 | 0 | 0 | 112.4 | Y68 P69 R72 S73 A76 D84 D85 T90 Y91 W92 P129 | Y68-W88 HydrophobicContact CE1-CH2 4.42Å; P69-W88 HydrophobicContact CB-CE3 4.08Å; P69-W88 HydrophobicContact CB-CZ3 3.81Å; P69-W88 HydrophobicContact CG-CZ3 4.4Å; R72-W88 HydrophobicContact CB-CD2 4.2Å; R72-W88 HydrophobicContact CB-CE3 4.34Å; R72-W88 HydrophobicContact CB-CH2 3.42Å; R72-W88 VanDerWaalsContact CB-CH2 3.42Å; R72-W88 HydrophobicContact CB-CZ2 3.22Å; R72-W88 HydrophobicContact CB-CZ3 3.99Å; R72-W88 HydrophobicContact CG-CH2 3.77Å; R72-W88 HydrophobicContact CG-CZ2 3.81Å; S73-W88 WeakPolarHBondContact OG-CB 3.16Å; A76-W88 HydrophobicContact CB-CG 4.39Å; D84-W88 PolarHBondContact O-N 2.83Å; D85-W88 PolarHBondContact O-N 2.8Å; W88-T90 VanDerWaalsContact C-N 3.32Å; W88-T90 PolarHBondContact O-N 3.42Å; W88-Y91 HydrophobicContact CE3-CG 4.4Å; W88-Y91 WeakPolarHBondContact O-CA 3.26Å; W88-Y91 VanDerWaalsContact O-CB 3.29Å; W88-Y91 WeakPolarHBondContact O-CB 3.45Å; W88-Y91 PolarHBondContact O-N 2.86Å; W88-Y91 VanDerWaalsContact O-N 3.17Å; W88-W92 PolarHBondContact O-N 2.86Å; W88-P129 HydrophobicContact CH2-CB 4.44Å |
| 89 | L | 90 | Very high | 88.6 | Confident | 118 Ų | 118 | 56.7 Ų | 56.7 | 62% | 0.618 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 173.1 | -173 | 63.5 | 0 | 0 | 0 | 111.2 | D85 Y91 W92 V93 | D85-L89 VanDerWaalsContact O-CB 3.29Å; D85-L89 WeakPolarHBondContact O-CB 3.44Å; D85-L89 PolarHBondContact O-N 2.92Å; L89-Y91 VanDerWaalsContact C-N 3.3Å; L89-Y91 PolarHBondContact O-N 3.49Å; L89-W92 PolarHBondContact O-N 3.18Å; L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 2.87Å |
| 90 | T | 89.4 | Confident | 88.7 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 173.3 | -57.3 | 0 | 0 | 0 | 0 | 111 | T86 K87 W88 W92 V93 V94 I136 Y139 | T86-T90 VanDerWaalsContact O-CB 3.3Å; T86-T90 WeakPolarHBondContact O-CB 3.25Å; T86-T90 PolarHBondContact O-N 3.33Å; T86-T90 PolarHBondContact O-OG1 3.39Å; K87-T90 PolarHBondContact O-N 2.88Å; W88-T90 VanDerWaalsContact C-N 3.32Å; W88-T90 PolarHBondContact O-N 3.42Å; T90-W92 PolarHBondContact O-N 3.27Å; T90-V93 PolarHBondContact O-N 3.44Å; T90-V94 HydrophobicContact CG2-CG2 4.48Å; T90-V94 WeakPolarHBondContact O-CG2 3.42Å; T90-V94 PolarHBondContact O-N 3.24Å; T90-V94 VanDerWaalsContact O-N 3.08Å; T90-I136 HydrophobicContact CG2-CG1 4.09Å; T90-Y139 VanDerWaalsContact CG2-CB 3.45Å; T90-Y139 HydrophobicContact CG2-CD1 3.94Å; T90-Y139 HydrophobicContact CG2-CD2 4.2Å; T90-Y139 HydrophobicContact CG2-CG 3.6Å |
| 91 | Y | 90.2 | Very high | 88.8 | Confident | 9 Ų | 9 | 56.5 Ų | 56.5 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.6 | -50.3 | 173.7 | 179.1 | -88.6 | 0 | 0 | 0 | 111.6 | G65 P69 K87 W88 L89 V93 V94 F95 M127 A135 | G65-Y91 PolarHBondContact O-OH 3.3Å; G65-Y91 VanDerWaalsContact O-OH 3.06Å; P69-Y91 HydrophobicContact CB-CD1 3.67Å; P69-Y91 HydrophobicContact CB-CE1 3.3Å; P69-Y91 HydrophobicContact CG-CD1 4.14Å; P69-Y91 HydrophobicContact CG-CE1 3.34Å; P69-Y91 HydrophobicContact CG-CE2 4.19Å; P69-Y91 WeakPolarHBondContact CG-OH 3.47Å; K87-Y91 PolarHBondContact O-N 2.96Å; W88-Y91 HydrophobicContact CE3-CG 4.4Å; W88-Y91 WeakPolarHBondContact O-CA 3.26Å; W88-Y91 VanDerWaalsContact O-CB 3.29Å; W88-Y91 WeakPolarHBondContact O-CB 3.45Å; W88-Y91 PolarHBondContact O-N 2.86Å; W88-Y91 VanDerWaalsContact O-N 3.17Å; L89-Y91 VanDerWaalsContact C-N 3.3Å; L89-Y91 PolarHBondContact O-N 3.49Å; Y91-V93 PolarHBondContact O-N 3.39Å; Y91-V94 PolarHBondContact O-N 3.31Å; Y91-F95 HydrophobicContact CD1-CB 4.47Å; Y91-F95 HydrophobicContact CE1-CB 4.13Å; Y91-F95 HydrophobicContact CE1-CD2 4.29Å; Y91-F95 HydrophobicContact CE1-CG 4.44Å; Y91-F95 VanDerWaalsContact O-CB 3.32Å; Y91-F95 WeakPolarHBondContact O-CB 3.29Å; Y91-F95 PolarHBondContact O-N 3.34Å; Y91-M127 HydrophobicContact CD2-SD 4.45Å; Y91-M127 HydrophobicContact CE1-SD 4.33Å; Y91-M127 VanDerWaalsContact CE2-O 3.31Å; Y91-M127 WeakPolarHBondContact CE2-O 3.22Å; Y91-M127 HydrophobicContact CE2-SD 3.61Å; Y91-M127 VanDerWaalsContact CZ-SD 3.52Å; Y91-M127 PolarHBondContact OH-O 3.34Å; Y91-M127 PolarHBondContact OH-SD 2.83Å; Y91-M127 VanDerWaalsContact OH-SD 3.38Å; Y91-A135 HydrophobicContact CD2-CB 4.01Å |
| 92 | W | 92.3 | Very high | 88.7 | Confident | 69 Ų | 69 | 53.4 Ų | 53.4 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | -179.6 | -74.8 | 115.1 | 0 | 0 | 0 | 113.2 | F66 P69 A70 S73 W88 L89 T90 V94 F95 A96 | F66-W92 AromaticContact CD2-CH2 3.47Å; F66-W92 HydrophobicContact CD2-CH2 3.47Å; F66-W92 VanDerWaalsContact CD2-CH2 3.47Å; F66-W92 AromaticContact CD2-CZ3 3.8Å; F66-W92 HydrophobicContact CD2-CZ3 3.8Å; F66-W92 AromaticContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CZ3 4.21Å; F66-W92 HydrophobicContact CG-CH2 4.31Å; P69-W92 HydrophobicContact CB-CZ2 4.47Å; A70-W92 HydrophobicContact CB-CH2 4.26Å; A70-W92 HydrophobicContact CB-CZ2 4.03Å; S73-W92 PolarHBondContact OG-NE1 3.29Å; W88-W92 PolarHBondContact O-N 2.86Å; L89-W92 PolarHBondContact O-N 3.18Å; T90-W92 PolarHBondContact O-N 3.27Å; W92-V94 VanDerWaalsContact C-N 3.34Å; W92-F95 HydrophobicContact CE3-CD1 4.1Å; W92-F95 HydrophobicContact CE3-CG 4.46Å; W92-F95 HydrophobicContact CZ3-CD1 4.09Å; W92-F95 HydrophobicContact CZ3-CE1 4.34Å; W92-F95 PolarHBondContact O-N 2.82Å; W92-A96 WeakPolarHBondContact O-CB 3.48Å; W92-A96 PolarHBondContact O-N 2.88Å |
| 93 | V | 91.5 | Very high | 88.6 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L89 T90 Y91 T97 Y139 I143 | L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 2.87Å; T90-V93 PolarHBondContact O-N 3.44Å; Y91-V93 PolarHBondContact O-N 3.39Å; V93-T97 WeakPolarHBondContact O-CB 3.47Å; V93-T97 PolarHBondContact O-N 2.91Å; V93-T97 PolarHBondContact O-OG1 3.18Å; V93-Y139 HydrophobicContact CG1-CD2 4.16Å; V93-Y139 HydrophobicContact CG1-CE2 4.17Å; V93-I143 HydrophobicContact CG1-CD1 4.33Å; V93-I143 HydrophobicContact CG1-CG2 4.21Å |
| 94 | V | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 179 | -177 | 0 | 0 | 0 | 0 | 110.5 | T90 Y91 W92 T97 L98 M127 A135 I138 I143 | T90-V94 HydrophobicContact CG2-CG2 4.48Å; T90-V94 WeakPolarHBondContact O-CG2 3.42Å; T90-V94 PolarHBondContact O-N 3.24Å; T90-V94 VanDerWaalsContact O-N 3.08Å; Y91-V94 PolarHBondContact O-N 3.31Å; W92-V94 VanDerWaalsContact C-N 3.34Å; V94-T97 PolarHBondContact O-N 3.37Å; V94-L98 HydrophobicContact CG1-CD1 4.18Å; V94-L98 HydrophobicContact CG1-CG 4.26Å; V94-L98 WeakPolarHBondContact O-CB 3.41Å; V94-L98 WeakPolarHBondContact O-CG 3.38Å; V94-L98 PolarHBondContact O-N 3.05Å; V94-M127 HydrophobicContact CB-CE 4.33Å; V94-M127 HydrophobicContact CG1-CE 3.77Å; V94-A135 HydrophobicContact CB-CB 4.21Å; V94-A135 HydrophobicContact CG1-CB 4.42Å; V94-A135 HydrophobicContact CG2-CB 4.17Å; V94-A135 VanDerWaalsContact CG2-O 3.22Å; V94-A135 WeakPolarHBondContact CG2-O 3.41Å; V94-I138 HydrophobicContact CG1-CB 3.98Å; V94-I138 HydrophobicContact CG1-CD1 4.12Å; V94-I138 HydrophobicContact CG1-CG2 3.75Å; V94-I143 HydrophobicContact CB-CD1 4.21Å; V94-I143 HydrophobicContact CG1-CD1 4.44Å; V94-I143 HydrophobicContact CG2-CD1 3.7Å |
| 95 | F | 90.5 | Very high | 88.7 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 10% | 0.101 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56 | -54.2 | 175.1 | 179.2 | -89.9 | 0 | 0 | 0 | 110.5 | Y91 W92 T97 L98 S99 F123 M127 | Y91-F95 HydrophobicContact CD1-CB 4.47Å; Y91-F95 HydrophobicContact CE1-CB 4.13Å; Y91-F95 HydrophobicContact CE1-CD2 4.29Å; Y91-F95 HydrophobicContact CE1-CG 4.44Å; Y91-F95 VanDerWaalsContact O-CB 3.32Å; Y91-F95 WeakPolarHBondContact O-CB 3.29Å; Y91-F95 PolarHBondContact O-N 3.34Å; W92-F95 HydrophobicContact CE3-CD1 4.1Å; W92-F95 HydrophobicContact CE3-CG 4.46Å; W92-F95 HydrophobicContact CZ3-CD1 4.09Å; W92-F95 HydrophobicContact CZ3-CE1 4.34Å; W92-F95 PolarHBondContact O-N 2.82Å; F95-T97 PolarHBondContact O-N 3.48Å; F95-L98 PolarHBondContact O-N 3.39Å; F95-S99 WeakPolarHBondContact O-CB 3.39Å; F95-S99 PolarHBondContact O-N 3.39Å; F95-S99 PolarHBondContact O-OG 2.88Å; F95-F123 HydrophobicContact CD2-CE1 4.44Å; F95-F123 AromaticContact CD2-CZ 3.74Å; F95-F123 HydrophobicContact CD2-CZ 3.74Å; F95-F123 AromaticContact CE2-CE1 3.9Å; F95-F123 HydrophobicContact CE2-CE1 3.9Å; F95-F123 AromaticContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CE2-CZ 3.48Å; F95-F123 VanDerWaalsContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CZ-CZ 4.17Å; F95-M127 VanDerWaalsContact CA-CE 3.47Å; F95-M127 HydrophobicContact CB-CE 4.16Å; F95-M127 HydrophobicContact CB-SD 3.85Å; F95-M127 HydrophobicContact CD2-CG 4.12Å; F95-M127 HydrophobicContact CD2-SD 3.7Å; F95-M127 HydrophobicContact CG-SD 4.27Å |
| 96 | A | 91.9 | Very high | 88.6 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W92 S99 V100 | W92-A96 WeakPolarHBondContact O-CB 3.48Å; W92-A96 PolarHBondContact O-N 2.88Å; A96-S99 PolarHBondContact O-N 3.05Å; A96-V100 WeakPolarHBondContact O-CG2 3.48Å; A96-V100 PolarHBondContact O-N 3.46Å |
| 97 | T | 89.7 | Confident | 88.4 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 32% | 0.319 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | V93 V94 F95 V100 I101 I143 | V93-T97 WeakPolarHBondContact O-CB 3.47Å; V93-T97 PolarHBondContact O-N 2.91Å; V93-T97 PolarHBondContact O-OG1 3.18Å; V94-T97 PolarHBondContact O-N 3.37Å; F95-T97 PolarHBondContact O-N 3.48Å; T97-V100 PolarHBondContact O-N 3.31Å; T97-I101 HydrophobicContact CG2-CD1 4.12Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.24Å; T97-I101 VanDerWaalsContact O-N 3.1Å; T97-I143 HydrophobicContact CG2-CD1 4.23Å |
| 98 | L | 88.3 | Confident | 88.2 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 178.6 | -69.6 | -171.4 | 0 | 0 | 0 | 112.2 | V94 F95 I101 E102 F123 M126 M127 I138 | V94-L98 HydrophobicContact CG1-CD1 4.18Å; V94-L98 HydrophobicContact CG1-CG 4.26Å; V94-L98 WeakPolarHBondContact O-CB 3.41Å; V94-L98 WeakPolarHBondContact O-CG 3.38Å; V94-L98 PolarHBondContact O-N 3.05Å; F95-L98 PolarHBondContact O-N 3.39Å; L98-I101 HydrophobicContact CD2-CD1 4.3Å; L98-I101 CarbonylContact O-C 3.38Å; L98-I101 PolarHBondContact O-N 2.98Å; L98-E102 VanDerWaalsContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CB 3.33Å; L98-E102 PolarHBondContact O-N 2.86Å; L98-F123 HydrophobicContact CB-CD2 3.91Å; L98-F123 HydrophobicContact CB-CE2 3.67Å; L98-M126 HydrophobicContact CD1-CB 4.23Å; L98-M126 HydrophobicContact CD1-CE 3.97Å; L98-M126 HydrophobicContact CD1-SD 4.34Å; L98-M127 HydrophobicContact CB-CE 4.2Å; L98-M127 HydrophobicContact CD1-CE 3.31Å; L98-M127 HydrophobicContact CG-CE 4.02Å; L98-I138 HydrophobicContact CD1-CD1 4.43Å |
| 99 | S | 89 | Confident | 87.8 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 175.7 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | F95 A96 E102 S103 | F95-S99 WeakPolarHBondContact O-CB 3.39Å; F95-S99 PolarHBondContact O-N 3.39Å; F95-S99 PolarHBondContact O-OG 2.88Å; A96-S99 PolarHBondContact O-N 3.05Å; S99-E102 PolarHBondContact O-N 2.93Å; S99-S103 WeakPolarHBondContact O-CB 3.23Å; S99-S103 PolarHBondContact O-N 2.73Å; S99-S103 PolarHBondContact O-OG 2.88Å |
| 100 | V | 89.2 | Confident | 87.2 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 172.4 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | A96 T97 E102 S103 L104 | A96-V100 WeakPolarHBondContact O-CG2 3.48Å; A96-V100 PolarHBondContact O-N 3.46Å; T97-V100 PolarHBondContact O-N 3.31Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.12Å; V100-S103 PolarHBondContact O-N 2.92Å; V100-L104 HydrophobicContact CG1-CD1 4.43Å; V100-L104 WeakPolarHBondContact O-CG 3.36Å; V100-L104 PolarHBondContact O-N 3.14Å |
| 101 | I | 87.9 | Confident | 86.7 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 43% | 0.431 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.1 | -66 | 166.4 | 0 | 0 | 0 | 110.7 | T97 L98 S103 L104 T105 | T97-I101 HydrophobicContact CG2-CD1 4.12Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.24Å; T97-I101 VanDerWaalsContact O-N 3.1Å; L98-I101 HydrophobicContact CD2-CD1 4.3Å; L98-I101 CarbonylContact O-C 3.38Å; L98-I101 PolarHBondContact O-N 2.98Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 3.43Å; I101-L104 PolarHBondContact O-N 3.3Å; I101-T105 HydrophobicContact CG2-CG2 4.36Å; I101-T105 WeakPolarHBondContact O-CG2 3.28Å; I101-T105 PolarHBondContact O-N 3.2Å; I101-T105 PolarHBondContact O-OG1 3.43Å |
| 102 | E | 85.6 | Confident | 86.2 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 177.8 | -161.8 | -146.3 | 167.2 | 0 | 0 | 111.5 | S58 N62 L98 S99 V100 T105 D106 K119 | S58-E102 PolarHBondContact OG-OE1 2.96Å; N62-E102 PolarHBondContact ND2-OE2 3.33Å; L98-E102 VanDerWaalsContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CB 3.33Å; L98-E102 PolarHBondContact O-N 2.86Å; S99-E102 PolarHBondContact O-N 2.93Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.12Å; E102-T105 PolarHBondContact O-N 2.91Å; E102-T105 PolarHBondContact O-OG1 3.46Å; E102-D106 PolarHBondContact O-N 3.48Å; E102-K119 VanDerWaalsContact CG-NZ 3.34Å; E102-K119 IonicContact OE1-NZ 2.7Å; E102-K119 PolarHBondContact OE1-NZ 3.03Å |
| 103 | S | 84.7 | Confident | 85.3 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 47% | 0.469 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | S99 V100 I101 I107 | S99-S103 WeakPolarHBondContact O-CB 3.23Å; S99-S103 PolarHBondContact O-N 2.73Å; S99-S103 PolarHBondContact O-OG 2.88Å; V100-S103 PolarHBondContact O-N 2.92Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 3.43Å; S103-I107 WeakPolarHBondContact O-CG1 3.45Å; S103-I107 PolarHBondContact O-N 3.04Å |
| 104 | L | 86.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 74.3 Ų | 74.3 | 52% | 0.518 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 175.3 | -67.9 | 174.6 | 0 | 0 | 0 | 111.7 | V100 I101 D106 I107 L108 | V100-L104 HydrophobicContact CG1-CD1 4.43Å; V100-L104 WeakPolarHBondContact O-CG 3.36Å; V100-L104 PolarHBondContact O-N 3.14Å; I101-L104 PolarHBondContact O-N 3.3Å; L104-D106 VanDerWaalsContact C-N 3.31Å; L104-D106 PolarHBondContact O-N 2.77Å; L104-I107 PolarHBondContact O-N 3.01Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.94Å |
| 105 | T | 85.7 | Confident | 84 | Confident | 29 Ų | 29 | 77 Ų | 77 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.9 | -29.1 | 178.4 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | I101 E102 L108 F109 Y115 | I101-T105 HydrophobicContact CG2-CG2 4.36Å; I101-T105 WeakPolarHBondContact O-CG2 3.28Å; I101-T105 PolarHBondContact O-N 3.2Å; I101-T105 PolarHBondContact O-OG1 3.43Å; E102-T105 PolarHBondContact O-N 2.91Å; E102-T105 PolarHBondContact O-OG1 3.46Å; T105-L108 PolarHBondContact O-N 3.43Å; T105-F109 WeakPolarHBondContact O-CB 3.38Å; T105-F109 WeakPolarHBondContact O-CD2 3.32Å; T105-F109 PolarHBondContact O-N 2.88Å; T105-Y115 VanDerWaalsContact CB-OH 3.29Å; T105-Y115 WeakPolarHBondContact CB-OH 3.25Å |
| 106 | D | 83 | Confident | 83.3 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.2 | -48.2 | 168.9 | -84.3 | -38.1 | 0 | 0 | 0 | 111.6 | E102 L104 L108 F109 F110 K119 | E102-D106 PolarHBondContact O-N 3.48Å; L104-D106 VanDerWaalsContact C-N 3.31Å; L104-D106 PolarHBondContact O-N 2.77Å; D106-L108 PolarHBondContact O-N 3.04Å; D106-F109 PolarHBondContact O-N 3.01Å; D106-F110 WeakPolarHBondContact O-CA 3.43Å; D106-F110 WeakPolarHBondContact O-CB 3.41Å; D106-F110 PolarHBondContact O-N 3.13Å; D106-K119 WeakPolarHBondContact OD1-CE 3.47Å; D106-K119 IonicContact OD1-NZ 3.83Å; D106-K119 PolarHBondContact OD1-NZ 3.02Å; D106-K119 IonicContact OD2-NZ 2.86Å; D106-K119 PolarHBondContact OD2-NZ 3.39Å |
| 107 | I | 83.5 | Confident | 82.7 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.9 | -35.4 | -179.1 | -62 | 166.5 | 0 | 0 | 0 | 111.5 | S103 L104 F110 | S103-I107 WeakPolarHBondContact O-CG1 3.45Å; S103-I107 PolarHBondContact O-N 3.04Å; L104-I107 PolarHBondContact O-N 3.01Å; I107-F110 WeakPolarHBondContact O-CD1 3.32Å |
| 108 | L | 84.5 | Confident | 82.4 | Confident | 117 Ų | 117 | 81.9 Ų | 81.9 | 61% | 0.613 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -83.5 | -34.9 | -177.7 | -64.2 | 177.6 | 0 | 0 | 0 | 113.7 | L104 T105 D106 W111 | L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.94Å; T105-L108 PolarHBondContact O-N 3.43Å; D106-L108 PolarHBondContact O-N 3.04Å; L108-W111 PolarHBondContact O-NE1 2.88Å |
| 109 | F | 80 | Confident | 82.1 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 35% | 0.346 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -118.5 | 10.5 | -168.8 | -62.2 | -75.8 | 0 | 0 | 0 | 114.1 | T105 D106 W111 I112 Y115 | T105-F109 WeakPolarHBondContact O-CB 3.38Å; T105-F109 WeakPolarHBondContact O-CD2 3.32Å; T105-F109 PolarHBondContact O-N 2.88Å; D106-F109 PolarHBondContact O-N 3.01Å; F109-W111 PolarHBondContact O-N 3.39Å; F109-I112 HydrophobicContact CD1-CD1 3.82Å; F109-I112 PolarHBondContact O-N 3.32Å; F109-Y115 HydrophobicContact CB-CD1 3.53Å; F109-Y115 HydrophobicContact CB-CD2 4.24Å; F109-Y115 HydrophobicContact CB-CE1 3.35Å; F109-Y115 HydrophobicContact CB-CE2 4.08Å; F109-Y115 HydrophobicContact CB-CG 4Å; F109-Y115 HydrophobicContact CD2-CE1 4.11Å; F109-Y115 HydrophobicContact CD2-CE2 4.33Å; F109-Y115 AromaticContact CD2-CZ 3.71Å; F109-Y115 WeakPolarHBondContact CD2-OH 3.41Å; F109-Y115 HydrophobicContact CG-CE1 4.03Å; F109-Y115 HydrophobicContact CG-CE2 4.14Å; F109-Y115 AromaticContact CG-CZ 3.81Å |
| 110 | F | 77.3 | Confident | 81.9 | Confident | 158 Ų | 158 | 80.7 Ų | 80.7 | 69% | 0.693 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.2 | 179.1 | 72.9 | -84.9 | 0 | 0 | 0 | 114.3 | D106 I107 I112 | D106-F110 WeakPolarHBondContact O-CA 3.43Å; D106-F110 WeakPolarHBondContact O-CB 3.41Å; D106-F110 PolarHBondContact O-N 3.13Å; I107-F110 WeakPolarHBondContact O-CD1 3.32Å; F110-I112 VanDerWaalsContact C-N 3.33Å |
| 111 | W | 80.1 | Confident | 81.7 | Confident | 180 Ų | 180 | 81 Ų | 81 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15 | -178.2 | 66.6 | -78.3 | 0 | 0 | 0 | 113.8 | L108 F109 | L108-W111 PolarHBondContact O-NE1 2.88Å; F109-W111 PolarHBondContact O-N 3.39Å |
| 112 | I | 80.4 | Confident | 81.6 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -89.5 | 118.8 | -177.9 | -57.9 | -178.8 | 0 | 0 | 0 | 110 | F109 F110 Y115 | F109-I112 HydrophobicContact CD1-CD1 3.82Å; F109-I112 PolarHBondContact O-N 3.32Å; F110-I112 VanDerWaalsContact C-N 3.33Å; I112-Y115 VanDerWaalsContact O-CB 3.27Å; I112-Y115 WeakPolarHBondContact O-CB 3.39Å; I112-Y115 PolarHBondContact O-N 3.28Å |
| 113 | P | 71.6 | Confident | 81.6 | Confident | 112 Ų | 112 | 82.5 Ų | 82.5 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 143.7 | 178.1 | 27.4 | -33.6 | 0 | 0 | 0 | 111.2 | Y115 | P113-Y115 PolarHBondContact O-N 3.06Å; P113-Y115 VanDerWaalsContact O-N 3.09Å |
| 114 | L | 74.8 | Confident | 81.6 | Confident | 130 Ų | 130 | 81.1 Ų | 81.1 | 68% | 0.681 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -4.3 | -174.9 | -57.7 | 173.8 | 0 | 0 | 0 | 116.4 | S116 L117 L118 | L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 2.83Å; L114-L117 PolarHBondContact O-N 3.45Å; L114-L118 PolarHBondContact O-N 2.93Å; L114-L118 VanDerWaalsContact O-N 3.12Å |
| 115 | Y | 79 | Confident | 81.5 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 22% | 0.22 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 175.8 | 178.6 | -101.3 | 0 | 0 | 0 | 111.6 | T105 F109 I112 P113 L117 L118 K119 | T105-Y115 VanDerWaalsContact CB-OH 3.29Å; T105-Y115 WeakPolarHBondContact CB-OH 3.25Å; F109-Y115 HydrophobicContact CB-CD1 3.53Å; F109-Y115 HydrophobicContact CB-CD2 4.24Å; F109-Y115 HydrophobicContact CB-CE1 3.35Å; F109-Y115 HydrophobicContact CB-CE2 4.08Å; F109-Y115 HydrophobicContact CB-CG 4Å; F109-Y115 HydrophobicContact CD2-CE1 4.11Å; F109-Y115 HydrophobicContact CD2-CE2 4.33Å; F109-Y115 AromaticContact CD2-CZ 3.71Å; F109-Y115 WeakPolarHBondContact CD2-OH 3.41Å; F109-Y115 HydrophobicContact CG-CE1 4.03Å; F109-Y115 HydrophobicContact CG-CE2 4.14Å; F109-Y115 AromaticContact CG-CZ 3.81Å; I112-Y115 VanDerWaalsContact O-CB 3.27Å; I112-Y115 WeakPolarHBondContact O-CB 3.39Å; I112-Y115 PolarHBondContact O-N 3.28Å; P113-Y115 PolarHBondContact O-N 3.06Å; P113-Y115 VanDerWaalsContact O-N 3.09Å; Y115-L117 VanDerWaalsContact C-N 3.28Å; Y115-L117 PolarHBondContact O-N 3.22Å; Y115-L118 PolarHBondContact O-N 3.44Å; Y115-K119 HydrophobicContact CD1-CD 3.72Å; Y115-K119 HydrophobicContact CE1-CB 4.33Å; Y115-K119 HydrophobicContact CE1-CD 3.37Å; Y115-K119 HydrophobicContact CE1-CG 4.4Å; Y115-K119 WeakPolarHBondContact O-CB 3.39Å; Y115-K119 WeakPolarHBondContact O-CG 3.37Å; Y115-K119 PolarHBondContact O-N 3.38Å |
| 116 | S | 76.9 | Confident | 81.2 | Confident | 35 Ų | 35 | 84.2 Ų | 84.2 | 25% | 0.245 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.2 | -34.6 | 179.1 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | L114 K119 S120 | L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 2.83Å; S116-K119 WeakPolarHBondContact O-CG 3.41Å; S116-S120 VanDerWaalsContact O-CB 3.23Å; S116-S120 WeakPolarHBondContact O-CB 3.04Å; S116-S120 PolarHBondContact O-N 3.26Å; S116-S120 VanDerWaalsContact O-N 3.14Å; S116-S120 PolarHBondContact O-OG 3.16Å |
| 117 | L | 79 | Confident | 81 | Confident | 76 Ų | 76 | 82.1 Ų | 82.1 | 40% | 0.398 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.8 | -50.5 | 176.6 | -179.1 | 66 | 0 | 0 | 0 | 111.1 | T57 L114 Y115 K119 S120 L121 | T57-L117 HydrophobicContact CG2-CD1 3.87Å; L114-L117 PolarHBondContact O-N 3.45Å; Y115-L117 VanDerWaalsContact C-N 3.28Å; Y115-L117 PolarHBondContact O-N 3.22Å; L117-K119 PolarHBondContact O-N 3.03Å; L117-S120 PolarHBondContact O-N 3.36Å; L117-L121 HydrophobicContact CD1-CD1 4.34Å; L117-L121 HydrophobicContact CD1-CG 4.42Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.2Å; L117-L121 VanDerWaalsContact O-CG 3.32Å; L117-L121 WeakPolarHBondContact O-CG 3.36Å; L117-L121 PolarHBondContact O-N 2.96Å |
| 118 | L | 82.8 | Confident | 80.8 | Confident | 118 Ų | 118 | 80.3 Ų | 80.3 | 62% | 0.618 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | -178.2 | -72.6 | 172.4 | 0 | 0 | 0 | 111.8 | L114 Y115 L121 F122 | L114-L118 PolarHBondContact O-N 2.93Å; L114-L118 VanDerWaalsContact O-N 3.12Å; Y115-L118 PolarHBondContact O-N 3.44Å; L118-L121 PolarHBondContact O-N 3.1Å; L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.33Å |
| 119 | K | 83.4 | Confident | 80 | Confident | 18 Ų | 18 | 76.7 Ų | 76.7 | 8% | 0.078 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.4 | 85.7 | -169.6 | 177.4 | 97.1 | 0 | 111.6 | E102 D106 Y115 S116 L117 L121 F122 F123 | E102-K119 VanDerWaalsContact CG-NZ 3.34Å; E102-K119 IonicContact OE1-NZ 2.7Å; E102-K119 PolarHBondContact OE1-NZ 3.03Å; D106-K119 WeakPolarHBondContact OD1-CE 3.47Å; D106-K119 IonicContact OD1-NZ 3.83Å; D106-K119 PolarHBondContact OD1-NZ 3.02Å; D106-K119 IonicContact OD2-NZ 2.86Å; D106-K119 PolarHBondContact OD2-NZ 3.39Å; Y115-K119 HydrophobicContact CD1-CD 3.72Å; Y115-K119 HydrophobicContact CE1-CB 4.33Å; Y115-K119 HydrophobicContact CE1-CD 3.37Å; Y115-K119 HydrophobicContact CE1-CG 4.4Å; Y115-K119 WeakPolarHBondContact O-CB 3.39Å; Y115-K119 WeakPolarHBondContact O-CG 3.37Å; Y115-K119 PolarHBondContact O-N 3.38Å; S116-K119 WeakPolarHBondContact O-CG 3.41Å; L117-K119 PolarHBondContact O-N 3.03Å; K119-L121 VanDerWaalsContact C-N 3.35Å; K119-F122 CarbonylContact O-C 3.58Å; K119-F122 WeakPolarHBondContact O-CB 3.48Å; K119-F122 PolarHBondContact O-N 3.29Å; K119-F123 WeakPolarHBondContact O-CB 3.05Å; K119-F123 PolarHBondContact O-N 3.32Å |
| 120 | S | 84.7 | Confident | 79.3 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 179.5 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | S58 S116 L117 L124 | S58-S120 WeakPolarHBondContact CA-OG 3.37Å; S58-S120 PolarHBondContact OG-OG 2.96Å; S116-S120 VanDerWaalsContact O-CB 3.23Å; S116-S120 WeakPolarHBondContact O-CB 3.04Å; S116-S120 PolarHBondContact O-N 3.26Å; S116-S120 VanDerWaalsContact O-N 3.14Å; S116-S120 PolarHBondContact O-OG 3.16Å; L117-S120 PolarHBondContact O-N 3.36Å; S120-L124 WeakPolarHBondContact O-CB 3.36Å; S120-L124 WeakPolarHBondContact O-CG 3.36Å; S120-L124 PolarHBondContact O-N 3.41Å |
| 121 | L | 85.1 | Confident | 78.4 | Confident | 96 Ų | 96 | 74.3 Ų | 74.3 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 169.4 | -73.2 | 173.6 | 0 | 0 | 0 | 111.6 | L117 L118 K119 L124 F125 | L117-L121 HydrophobicContact CD1-CD1 4.34Å; L117-L121 HydrophobicContact CD1-CG 4.42Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.2Å; L117-L121 VanDerWaalsContact O-CG 3.32Å; L117-L121 WeakPolarHBondContact O-CG 3.36Å; L117-L121 PolarHBondContact O-N 2.96Å; L118-L121 PolarHBondContact O-N 3.1Å; K119-L121 VanDerWaalsContact C-N 3.35Å; L121-L124 PolarHBondContact O-N 3.29Å; L121-F125 WeakPolarHBondContact O-CB 3.48Å; L121-F125 PolarHBondContact O-N 2.94Å |
| 122 | F | 85.3 | Confident | 77.3 | Confident | 122 Ų | 122 | 70.8 Ų | 70.8 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 176.6 | 178.8 | -116.8 | 0 | 0 | 0 | 112.3 | L118 K119 F125 M126 | L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.33Å; K119-F122 CarbonylContact O-C 3.58Å; K119-F122 WeakPolarHBondContact O-CB 3.48Å; K119-F122 PolarHBondContact O-N 3.29Å; F122-F125 PolarHBondContact O-N 2.9Å; F122-M126 HydrophobicContact CD1-CE 3.39Å; F122-M126 HydrophobicContact CD2-CE 4.36Å; F122-M126 HydrophobicContact CE1-CE 3.01Å; F122-M126 HydrophobicContact CE1-SD 3.9Å; F122-M126 HydrophobicContact CE2-CE 4.04Å; F122-M126 HydrophobicContact CE2-CG 4.24Å; F122-M126 HydrophobicContact CE2-SD 4.12Å; F122-M126 HydrophobicContact CG-CE 4.07Å; F122-M126 HydrophobicContact CZ-CE 3.36Å; F122-M126 HydrophobicContact CZ-CG 4.29Å; F122-M126 HydrophobicContact CZ-SD 3.58Å; F122-M126 VanDerWaalsContact CZ-SD 3.58Å; F122-M126 PolarHBondContact O-N 2.8Å |
| 123 | F | 85.6 | Confident | 76.6 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.5 | -50.8 | 172.5 | 173.9 | -99 | 0 | 0 | 0 | 110.9 | A61 N62 F95 L98 K119 F125 M126 M127 | A61-F123 HydrophobicContact CB-CD1 4.33Å; N62-F123 WeakPolarHBondContact OD1-CE1 3.09Å; F95-F123 HydrophobicContact CD2-CE1 4.44Å; F95-F123 AromaticContact CD2-CZ 3.74Å; F95-F123 HydrophobicContact CD2-CZ 3.74Å; F95-F123 AromaticContact CE2-CE1 3.9Å; F95-F123 HydrophobicContact CE2-CE1 3.9Å; F95-F123 AromaticContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CE2-CZ 3.48Å; F95-F123 VanDerWaalsContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CZ-CZ 4.17Å; L98-F123 HydrophobicContact CB-CD2 3.91Å; L98-F123 HydrophobicContact CB-CE2 3.67Å; K119-F123 WeakPolarHBondContact O-CB 3.05Å; K119-F123 PolarHBondContact O-N 3.32Å; F123-F125 VanDerWaalsContact C-N 3.33Å; F123-F125 PolarHBondContact O-N 3.42Å; F123-M126 PolarHBondContact O-N 3.39Å; F123-M127 HydrophobicContact CD1-CG 4.43Å; F123-M127 HydrophobicContact CD2-CG 4.4Å; F123-M127 HydrophobicContact CE1-CG 4.1Å; F123-M127 HydrophobicContact CE2-CG 4.07Å; F123-M127 HydrophobicContact CZ-CG 3.92Å; F123-M127 VanDerWaalsContact O-CB 3.3Å; F123-M127 WeakPolarHBondContact O-CB 3.42Å; F123-M127 WeakPolarHBondContact O-CG 3.48Å; F123-M127 PolarHBondContact O-N 3.46Å |
| 124 | L | 83.9 | Confident | 76.6 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 19% | 0.194 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 175.4 | -85.6 | 171.4 | 0 | 0 | 0 | 111.7 | A61 I64 S120 L121 M126 M127 I128 | A61-L124 HydrophobicContact CB-CD1 3.79Å; A61-L124 HydrophobicContact CB-CD2 4.29Å; A61-L124 HydrophobicContact CB-CG 3.7Å; A61-L124 WeakPolarHBondContact O-CD2 3.16Å; I64-L124 HydrophobicContact CB-CD2 3.82Å; I64-L124 HydrophobicContact CG2-CD2 3.69Å; S120-L124 WeakPolarHBondContact O-CB 3.36Å; S120-L124 WeakPolarHBondContact O-CG 3.36Å; S120-L124 PolarHBondContact O-N 3.41Å; L121-L124 PolarHBondContact O-N 3.29Å; L124-M126 VanDerWaalsContact C-N 3.32Å; L124-M126 PolarHBondContact O-N 3.41Å; L124-M127 CarbonylContact O-C 3.6Å; L124-M127 WeakPolarHBondContact O-CA 3.32Å; L124-M127 PolarHBondContact O-N 3.37Å; L124-I128 VanDerWaalsContact O-CG1 3.22Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.92Å |
| 125 | F | 84.6 | Confident | 76.7 | Confident | 148 Ų | 148 | 59.1 Ų | 59.1 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | 179.5 | 179.2 | -99.3 | 0 | 0 | 0 | 111.8 | L121 F122 F123 M127 I128 | L121-F125 WeakPolarHBondContact O-CB 3.48Å; L121-F125 PolarHBondContact O-N 2.94Å; F122-F125 PolarHBondContact O-N 2.9Å; F123-F125 VanDerWaalsContact C-N 3.33Å; F123-F125 PolarHBondContact O-N 3.42Å; F125-M127 VanDerWaalsContact C-N 3.3Å; F125-M127 PolarHBondContact O-N 2.87Å; F125-I128 PolarHBondContact O-N 2.93Å |
| 126 | M | 79.2 | Confident | 76.6 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 22% | 0.222 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.2 | -26.8 | 174 | -76.3 | -167.7 | -69.5 | 0 | 0 | 113.4 | L98 F122 F123 L124 I138 | L98-M126 HydrophobicContact CD1-CB 4.23Å; L98-M126 HydrophobicContact CD1-CE 3.97Å; L98-M126 HydrophobicContact CD1-SD 4.34Å; F122-M126 HydrophobicContact CD1-CE 3.39Å; F122-M126 HydrophobicContact CD2-CE 4.36Å; F122-M126 HydrophobicContact CE1-CE 3.01Å; F122-M126 HydrophobicContact CE1-SD 3.9Å; F122-M126 HydrophobicContact CE2-CE 4.04Å; F122-M126 HydrophobicContact CE2-CG 4.24Å; F122-M126 HydrophobicContact CE2-SD 4.12Å; F122-M126 HydrophobicContact CG-CE 4.07Å; F122-M126 HydrophobicContact CZ-CE 3.36Å; F122-M126 HydrophobicContact CZ-CG 4.29Å; F122-M126 HydrophobicContact CZ-SD 3.58Å; F122-M126 VanDerWaalsContact CZ-SD 3.58Å; F122-M126 PolarHBondContact O-N 2.8Å; F123-M126 PolarHBondContact O-N 3.39Å; L124-M126 VanDerWaalsContact C-N 3.32Å; L124-M126 PolarHBondContact O-N 3.41Å; M126-I138 HydrophobicContact CB-CD1 4.43Å; M126-I138 HydrophobicContact SD-CD1 4.04Å |
| 127 | M | 80 | Confident | 76.7 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.02 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -87 | -6.1 | 178.4 | -77.1 | -61 | 138.8 | 0 | 0 | 114.2 | Y91 V94 F95 L98 F123 L124 F125 P129 | Y91-M127 HydrophobicContact CD2-SD 4.45Å; Y91-M127 HydrophobicContact CE1-SD 4.33Å; Y91-M127 VanDerWaalsContact CE2-O 3.31Å; Y91-M127 WeakPolarHBondContact CE2-O 3.22Å; Y91-M127 HydrophobicContact CE2-SD 3.61Å; Y91-M127 VanDerWaalsContact CZ-SD 3.52Å; Y91-M127 PolarHBondContact OH-O 3.34Å; Y91-M127 PolarHBondContact OH-SD 2.83Å; Y91-M127 VanDerWaalsContact OH-SD 3.38Å; V94-M127 HydrophobicContact CB-CE 4.33Å; V94-M127 HydrophobicContact CG1-CE 3.77Å; F95-M127 VanDerWaalsContact CA-CE 3.47Å; F95-M127 HydrophobicContact CB-CE 4.16Å; F95-M127 HydrophobicContact CB-SD 3.85Å; F95-M127 HydrophobicContact CD2-CG 4.12Å; F95-M127 HydrophobicContact CD2-SD 3.7Å; F95-M127 HydrophobicContact CG-SD 4.27Å; L98-M127 HydrophobicContact CB-CE 4.2Å; L98-M127 HydrophobicContact CD1-CE 3.31Å; L98-M127 HydrophobicContact CG-CE 4.02Å; F123-M127 HydrophobicContact CD1-CG 4.43Å; F123-M127 HydrophobicContact CD2-CG 4.4Å; F123-M127 HydrophobicContact CE1-CG 4.1Å; F123-M127 HydrophobicContact CE2-CG 4.07Å; F123-M127 HydrophobicContact CZ-CG 3.92Å; F123-M127 VanDerWaalsContact O-CB 3.3Å; F123-M127 WeakPolarHBondContact O-CB 3.42Å; F123-M127 WeakPolarHBondContact O-CG 3.48Å; F123-M127 PolarHBondContact O-N 3.46Å; L124-M127 CarbonylContact O-C 3.6Å; L124-M127 WeakPolarHBondContact O-CA 3.32Å; L124-M127 PolarHBondContact O-N 3.37Å; F125-M127 VanDerWaalsContact C-N 3.3Å; F125-M127 PolarHBondContact O-N 2.87Å; M127-P129 VanDerWaalsContact O-CD 3.23Å; M127-P129 WeakPolarHBondContact O-CD 3.41Å |
| 128 | I | 78.1 | Confident | 76.9 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 43% | 0.431 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -65 | 120.9 | 173.5 | -54.5 | -178 | 0 | 0 | 0 | 107.5 | L124 F125 T130 | L124-I128 VanDerWaalsContact O-CG1 3.22Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.92Å; F125-I128 PolarHBondContact O-N 2.93Å; I128-T130 HydrophobicContact CB-CG2 4.21Å; I128-T130 HydrophobicContact CG2-CG2 3.45Å; I128-T130 VanDerWaalsContact CG2-CG2 3.45Å; I128-T130 PolarHBondContact O-N 3.25Å |
| 129 | P | 68.4 | Low | 76.9 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | trans | -77.6 | 63.2 | 177 | 32.2 | -32.6 | 0 | 0 | 0 | 110.1 | Y68 W88 M127 | Y68-P129 HydrophobicContact CD1-CG 3.86Å; Y68-P129 HydrophobicContact CE1-CG 3.48Å; Y68-P129 VanDerWaalsContact CE1-CG 3.48Å; W88-P129 HydrophobicContact CH2-CB 4.44Å; M127-P129 VanDerWaalsContact O-CD 3.23Å; M127-P129 WeakPolarHBondContact O-CD 3.41Å | ||
| 130 | T | 65.1 | Low | 76.9 | Confident | 81 Ų | 81 | 62 Ų | 62 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 145.3 | 171.4 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | I128 P132 N133 | I128-T130 HydrophobicContact CB-CG2 4.21Å; I128-T130 HydrophobicContact CG2-CG2 3.45Å; I128-T130 VanDerWaalsContact CG2-CG2 3.45Å; I128-T130 PolarHBondContact O-N 3.25Å; T130-P132 CarbonylContact O-C 2.97Å; T130-N133 WeakPolarHBondContact O-CA 3.5Å; T130-N133 PolarHBondContact O-N 2.87Å; T130-N133 VanDerWaalsContact O-N 3.09Å |
| 131 | S | 57.8 | Low | 77 | Confident | 107 Ų | 107 | 70 Ų | 70 | 75% | 0.748 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 127.2 | 169.4 | -70 | 0 | 0 | 0 | 0 | 109.4 | ||
| 132 | P | 58.3 | Low | 77 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 68% | 0.682 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -75 | 135.8 | -0.7 | 28.2 | -32 | 0 | 0 | 0 | 113.3 | T130 G134 | T130-P132 CarbonylContact O-C 2.97Å; P132-G134 PolarHBondContact O-N 3.39Å |
| 133 | N | 65.8 | Low | 76.9 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 104.5 | -170.3 | -62.5 | -53.4 | 0 | 0 | 0 | 111.7 | K87 T130 A135 I136 L137 | K87-N133 VanDerWaalsContact CE-ND2 3.35Å; K87-N133 WeakPolarHBondContact CE-ND2 3.32Å; K87-N133 WeakPolarHBondContact CE-OD1 3.33Å; K87-N133 PolarHBondContact NZ-OD1 2.73Å; T130-N133 WeakPolarHBondContact O-CA 3.5Å; T130-N133 PolarHBondContact O-N 2.87Å; T130-N133 VanDerWaalsContact O-N 3.09Å; N133-A135 PolarHBondContact O-N 3.35Å; N133-A135 VanDerWaalsContact O-N 3.14Å; N133-I136 HydrophobicContact CB-CB 4.1Å; N133-I136 HydrophobicContact CB-CD1 3.72Å; N133-I136 HydrophobicContact CB-CG1 3.67Å; N133-I136 VanDerWaalsContact ND2-CD1 3.27Å; N133-I136 WeakPolarHBondContact ND2-CD1 3.36Å; N133-I136 WeakPolarHBondContact O-CB 3.32Å; N133-I136 PolarHBondContact O-N 2.98Å; N133-L137 PolarHBondContact O-N 3.5Å |
| 134 | G | 72 | Confident | 76.9 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 22% | 0.216 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.1 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | P132 I136 L137 I138 | P132-G134 PolarHBondContact O-N 3.39Å; G134-I136 PolarHBondContact O-N 2.9Å; G134-L137 PolarHBondContact O-N 2.99Å; G134-I138 WeakPolarHBondContact O-CG1 3.5Å; G134-I138 PolarHBondContact O-N 3.4Å |
| 135 | A | 75.1 | Confident | 77.1 | Confident | 8 Ų | 8 | 70.4 Ų | 70.4 | 7% | 0.066 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y91 V94 N133 L137 I138 Y139 | Y91-A135 HydrophobicContact CD2-CB 4.01Å; V94-A135 HydrophobicContact CB-CB 4.21Å; V94-A135 HydrophobicContact CG1-CB 4.42Å; V94-A135 HydrophobicContact CG2-CB 4.17Å; V94-A135 VanDerWaalsContact CG2-O 3.22Å; V94-A135 WeakPolarHBondContact CG2-O 3.41Å; N133-A135 PolarHBondContact O-N 3.35Å; N133-A135 VanDerWaalsContact O-N 3.14Å; A135-L137 VanDerWaalsContact C-N 3.31Å; A135-L137 PolarHBondContact O-N 3.27Å; A135-I138 PolarHBondContact O-N 2.91Å; A135-Y139 WeakPolarHBondContact O-CB 3.49Å; A135-Y139 PolarHBondContact O-N 2.85Å |
| 136 | I | 77.7 | Confident | 77.2 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 29% | 0.292 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.9 | -61.7 | -179.2 | 0 | 0 | 0 | 110.3 | T90 N133 G134 Y139 E140 | T90-I136 HydrophobicContact CG2-CG1 4.09Å; N133-I136 HydrophobicContact CB-CB 4.1Å; N133-I136 HydrophobicContact CB-CD1 3.72Å; N133-I136 HydrophobicContact CB-CG1 3.67Å; N133-I136 VanDerWaalsContact ND2-CD1 3.27Å; N133-I136 WeakPolarHBondContact ND2-CD1 3.36Å; N133-I136 WeakPolarHBondContact O-CB 3.32Å; N133-I136 PolarHBondContact O-N 2.98Å; G134-I136 PolarHBondContact O-N 2.9Å; I136-Y139 PolarHBondContact O-N 3.16Å; I136-E140 HydrophobicContact CG2-CG 4.19Å; I136-E140 WeakPolarHBondContact O-CB 3.31Å; I136-E140 WeakPolarHBondContact O-CG 3.23Å; I136-E140 PolarHBondContact O-N 2.93Å |
| 137 | L | 79.5 | Confident | 77.5 | Confident | 107 Ų | 107 | 70 Ų | 70 | 56% | 0.56 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 177.3 | -65.4 | 176.2 | 0 | 0 | 0 | 112.1 | N133 G134 A135 Y139 K141 | N133-L137 PolarHBondContact O-N 3.5Å; G134-L137 PolarHBondContact O-N 2.99Å; A135-L137 VanDerWaalsContact C-N 3.31Å; A135-L137 PolarHBondContact O-N 3.27Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-K141 WeakPolarHBondContact O-CB 3.29Å; L137-K141 PolarHBondContact O-N 3.42Å |
| 138 | I | 82.4 | Confident | 77.8 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.2 | -66.2 | 168.8 | 0 | 0 | 0 | 110.1 | V94 L98 M126 G134 A135 V142 I143 | V94-I138 HydrophobicContact CG1-CB 3.98Å; V94-I138 HydrophobicContact CG1-CD1 4.12Å; V94-I138 HydrophobicContact CG1-CG2 3.75Å; L98-I138 HydrophobicContact CD1-CD1 4.43Å; M126-I138 HydrophobicContact CB-CD1 4.43Å; M126-I138 HydrophobicContact SD-CD1 4.04Å; G134-I138 WeakPolarHBondContact O-CG1 3.5Å; G134-I138 PolarHBondContact O-N 3.4Å; A135-I138 PolarHBondContact O-N 2.91Å; I138-V142 WeakPolarHBondContact O-CA 3.42Å; I138-V142 WeakPolarHBondContact O-CB 2.94Å; I138-V142 PolarHBondContact O-N 2.86Å; I138-I143 HydrophobicContact CG2-CD1 4.33Å; I138-I143 HydrophobicContact CG2-CG1 4.44Å; I138-I143 PolarHBondContact O-N 3.41Å |
| 139 | Y | 82.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 73 Ų | 73 | 24% | 0.239 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -61.4 | -55.9 | 178 | 179.9 | -100.3 | 0 | 0 | 0 | 111.8 | T90 V93 A135 I136 L137 K141 I143 R144 | T90-Y139 VanDerWaalsContact CG2-CB 3.45Å; T90-Y139 HydrophobicContact CG2-CD1 3.94Å; T90-Y139 HydrophobicContact CG2-CD2 4.2Å; T90-Y139 HydrophobicContact CG2-CG 3.6Å; V93-Y139 HydrophobicContact CG1-CD2 4.16Å; V93-Y139 HydrophobicContact CG1-CE2 4.17Å; A135-Y139 WeakPolarHBondContact O-CB 3.49Å; A135-Y139 PolarHBondContact O-N 2.85Å; I136-Y139 PolarHBondContact O-N 3.16Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 2.89Å; Y139-I143 HydrophobicContact CD2-CB 3.97Å; Y139-I143 HydrophobicContact CD2-CD1 4.42Å; Y139-I143 HydrophobicContact CD2-CG2 4.04Å; Y139-I143 HydrophobicContact CE2-CG2 4.19Å; Y139-I143 PolarHBondContact O-N 2.95Å; Y139-I143 VanDerWaalsContact O-N 3.16Å; Y139-R144 HydrophobicContact CD1-CB 4.36Å; Y139-R144 HydrophobicContact CE1-CB 4.1Å; Y139-R144 HydrophobicContact CE1-CG 4.32Å; Y139-R144 VanDerWaalsContact O-CB 3.24Å; Y139-R144 WeakPolarHBondContact O-CB 3.26Å; Y139-R144 PolarHBondContact O-N 3.45Å |
| 140 | E | 84.1 | Confident | 79.5 | Confident | 100 Ų | 100 | 75.7 Ų | 75.7 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | I | π-helix | trans | -64.1 | -36.6 | -176.7 | -73.8 | -60.6 | 141.9 | 0 | 0 | 112.8 | I136 R144 P145 | I136-E140 HydrophobicContact CG2-CG 4.19Å; I136-E140 WeakPolarHBondContact O-CB 3.31Å; I136-E140 WeakPolarHBondContact O-CG 3.23Å; I136-E140 PolarHBondContact O-N 2.93Å; E140-R144 WeakPolarHBondContact OE2-CD 3.02Å; E140-P145 WeakPolarHBondContact O-CD 3.42Å |
| 141 | K | 85.4 | Confident | 80.7 | Confident | 172 Ų | 172 | 75.2 Ų | 75.2 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | I | π-helix | trans | -89.1 | -31.5 | -173.4 | -167.8 | 169.9 | -177.5 | 177.1 | 0 | 113.9 | L137 Y139 P145 | L137-K141 WeakPolarHBondContact O-CB 3.29Å; L137-K141 PolarHBondContact O-N 3.42Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 2.89Å; K141-P145 VanDerWaalsContact O-CG 3.29Å; K141-P145 WeakPolarHBondContact O-CG 3.35Å |
| 142 | V | 85.5 | Confident | 82.2 | Confident | 76 Ų | 76 | 78.5 Ų | 78.5 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | I | π-helix | trans | -119 | -56.5 | -171.7 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | I138 N146 | I138-V142 WeakPolarHBondContact O-CA 3.42Å; I138-V142 WeakPolarHBondContact O-CB 2.94Å; I138-V142 PolarHBondContact O-N 2.86Å; V142-N146 WeakPolarHBondContact O-CB 3.29Å; V142-N146 PolarHBondContact O-N 3.4Å; V142-N146 PolarHBondContact O-ND2 3.24Å |
| 143 | I | 84 | Confident | 83.8 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 14% | 0.138 | 40% | 0.398 | C | S | . | . | I | π-helix | trans | -71.3 | -52.1 | -170.2 | -57.3 | 178.6 | 0 | 0 | 0 | 110.8 | V93 V94 T97 I138 Y139 N146 F147 | V93-I143 HydrophobicContact CG1-CD1 4.33Å; V93-I143 HydrophobicContact CG1-CG2 4.21Å; V94-I143 HydrophobicContact CB-CD1 4.21Å; V94-I143 HydrophobicContact CG1-CD1 4.44Å; V94-I143 HydrophobicContact CG2-CD1 3.7Å; T97-I143 HydrophobicContact CG2-CD1 4.23Å; I138-I143 HydrophobicContact CG2-CD1 4.33Å; I138-I143 HydrophobicContact CG2-CG1 4.44Å; I138-I143 PolarHBondContact O-N 3.41Å; Y139-I143 HydrophobicContact CD2-CB 3.97Å; Y139-I143 HydrophobicContact CD2-CD1 4.42Å; Y139-I143 HydrophobicContact CD2-CG2 4.04Å; Y139-I143 HydrophobicContact CE2-CG2 4.19Å; Y139-I143 PolarHBondContact O-N 2.95Å; Y139-I143 VanDerWaalsContact O-N 3.16Å; I143-N146 PolarHBondContact O-N 3.38Å; I143-F147 WeakPolarHBondContact O-CB 3.43Å; I143-F147 PolarHBondContact O-N 3.24Å |
| 144 | R | 84.9 | Confident | 85 | Confident | 109 Ų | 109 | 80.5 Ų | 80.5 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.2 | -50.9 | -176.8 | -170.5 | 176.8 | -175.1 | -83.1 | -6.7 | 113.7 | Y139 E140 N146 F147 L148 | Y139-R144 HydrophobicContact CD1-CB 4.36Å; Y139-R144 HydrophobicContact CE1-CB 4.1Å; Y139-R144 HydrophobicContact CE1-CG 4.32Å; Y139-R144 VanDerWaalsContact O-CB 3.24Å; Y139-R144 WeakPolarHBondContact O-CB 3.26Å; Y139-R144 PolarHBondContact O-N 3.45Å; E140-R144 WeakPolarHBondContact OE2-CD 3.02Å; R144-N146 PolarHBondContact O-N 2.79Å; R144-F147 PolarHBondContact O-N 2.89Å; R144-L148 HydrophobicContact CG-CD1 4.06Å; R144-L148 HydrophobicContact CG-CG 4.49Å; R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 VanDerWaalsContact O-CG 3.32Å; R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3.47Å |
| 145 | P | 89.2 | Confident | 86 | Confident | 59 Ų | 59 | 83 Ų | 83 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 179.4 | 23.4 | -32.9 | 0 | 0 | 0 | 112.4 | E140 K141 A149 | E140-P145 WeakPolarHBondContact O-CD 3.42Å; K141-P145 VanDerWaalsContact O-CG 3.29Å; K141-P145 WeakPolarHBondContact O-CG 3.35Å; P145-A149 WeakPolarHBondContact O-CB 3.33Å; P145-A149 PolarHBondContact O-N 3.17Å |
| 146 | N | 85.7 | Confident | 86.9 | Confident | 92 Ų | 92 | 88.6 Ų | 88.6 | 49% | 0.492 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 177.1 | -76.5 | -59.2 | 0 | 0 | 0 | 111.9 | V142 I143 R144 H150 | V142-N146 WeakPolarHBondContact O-CB 3.29Å; V142-N146 PolarHBondContact O-N 3.4Å; V142-N146 PolarHBondContact O-ND2 3.24Å; I143-N146 PolarHBondContact O-N 3.38Å; R144-N146 PolarHBondContact O-N 2.79Å; N146-H150 PolarHBondContact O-N 2.96Å; N146-H150 PolarHBondContact O-ND1 2.96Å |
| 147 | F | 85.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 92.7 Ų | 92.7 | 40% | 0.404 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -53.9 | 174.3 | 178.7 | -97.5 | 0 | 0 | 0 | 110.9 | I143 R144 A149 H150 E151 | I143-F147 WeakPolarHBondContact O-CB 3.43Å; I143-F147 PolarHBondContact O-N 3.24Å; R144-F147 PolarHBondContact O-N 2.89Å; F147-A149 PolarHBondContact O-N 3.2Å; F147-H150 CarbonylContact O-C 3.49Å; F147-H150 PolarHBondContact O-N 2.65Å; F147-E151 HydrophobicContact CE1-CB 4.19Å; F147-E151 HydrophobicContact CE1-CG 3.95Å; F147-E151 HydrophobicContact CZ-CB 4.42Å; F147-E151 HydrophobicContact CZ-CG 4.08Å; F147-E151 WeakPolarHBondContact O-CB 3.41Å; F147-E151 PolarHBondContact O-N 2.99Å |
| 148 | L | 87.1 | Confident | 88.4 | Confident | 81 Ų | 81 | 92 Ų | 92 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -31.4 | -179 | -68.8 | 175.1 | 0 | 0 | 0 | 113.1 | R144 H150 | R144-L148 HydrophobicContact CG-CD1 4.06Å; R144-L148 HydrophobicContact CG-CG 4.49Å; R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 VanDerWaalsContact O-CG 3.32Å; R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3.47Å; L148-H150 VanDerWaalsContact C-N 3.26Å; L148-H150 PolarHBondContact O-N 2.74Å |
| 149 | A | 90 | Very high | 89.1 | Confident | 71 Ų | 71 | 94.8 Ų | 94.8 | 59% | 0.587 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.1 | -26.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P145 F147 | P145-A149 WeakPolarHBondContact O-CB 3.33Å; P145-A149 PolarHBondContact O-N 3.17Å; F147-A149 PolarHBondContact O-N 3.2Å |
| 150 | H | 90.9 | Very high | 89.7 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -116.9 | -6.9 | -174 | -61.1 | 91.1 | 0 | 0 | 0 | 114.1 | N146 F147 L148 K152 N153 I154 | N146-H150 PolarHBondContact O-N 2.96Å; N146-H150 PolarHBondContact O-ND1 2.96Å; F147-H150 CarbonylContact O-C 3.49Å; F147-H150 PolarHBondContact O-N 2.65Å; L148-H150 VanDerWaalsContact C-N 3.26Å; L148-H150 PolarHBondContact O-N 2.74Å; H150-K152 VanDerWaalsContact C-N 3.33Å; H150-K152 PolarHBondContact O-N 3.18Å; H150-N153 WeakPolarHBondContact O-CA 3.16Å; H150-N153 WeakPolarHBondContact O-CB 3.22Å; H150-N153 PolarHBondContact O-N 3.04Å; H150-I154 HydrophobicContact CB-CD1 4.04Å; H150-I154 HydrophobicContact CB-CG1 4.4Å; H150-I154 WeakPolarHBondContact O-CG1 3.29Å; H150-I154 PolarHBondContact O-N 3.48Å |
| 151 | E | 89.5 | Confident | 90.2 | Very high | 71 Ų | 71 | 94.4 Ų | 94.4 | 33% | 0.332 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -47.5 | -52.2 | -176.1 | -179.2 | 178.9 | -158.7 | 0 | 0 | 111.8 | F147 N153 I154 D155 | F147-E151 HydrophobicContact CE1-CB 4.19Å; F147-E151 HydrophobicContact CE1-CG 3.95Å; F147-E151 HydrophobicContact CZ-CB 4.42Å; F147-E151 HydrophobicContact CZ-CG 4.08Å; F147-E151 WeakPolarHBondContact O-CB 3.41Å; F147-E151 PolarHBondContact O-N 2.99Å; E151-N153 VanDerWaalsContact C-N 3.26Å; E151-N153 PolarHBondContact O-N 2.92Å; E151-I154 PolarHBondContact O-N 3.42Å; E151-I154 VanDerWaalsContact O-N 3.08Å; E151-D155 WeakPolarHBondContact O-CB 3.36Å; E151-D155 PolarHBondContact O-N 3.35Å |
| 152 | K | 89.6 | Confident | 90.7 | Very high | 176 Ų | 176 | 89.7 Ų | 89.7 | 77% | 0.765 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.3 | -36.3 | 179 | -65.7 | -175.1 | -179.8 | -179.4 | 0 | 113.7 | H150 K156 | H150-K152 VanDerWaalsContact C-N 3.33Å; H150-K152 PolarHBondContact O-N 3.18Å; K152-K156 VanDerWaalsContact O-CB 3.29Å; K152-K156 WeakPolarHBondContact O-CB 3.44Å; K152-K156 PolarHBondContact O-N 3.01Å; K152-K156 VanDerWaalsContact O-N 3.13Å |
| 153 | N | 92.9 | Very high | 91.2 | Very high | 108 Ų | 108 | 91.1 Ų | 91.1 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -75.5 | -38.5 | 179.1 | -64.9 | -30.5 | 0 | 0 | 0 | 110.8 | H150 E151 F157 | H150-N153 WeakPolarHBondContact O-CA 3.16Å; H150-N153 WeakPolarHBondContact O-CB 3.22Å; H150-N153 PolarHBondContact O-N 3.04Å; E151-N153 VanDerWaalsContact C-N 3.26Å; E151-N153 PolarHBondContact O-N 2.92Å; N153-F157 WeakPolarHBondContact O-CB 3.44Å; N153-F157 PolarHBondContact O-N 3.36Å |
| 154 | I | 90 | Very high | 91.7 | Very high | 67 Ų | 67 | 95.9 Ų | 95.9 | 34% | 0.344 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 176.2 | -66 | 167.1 | 0 | 0 | 0 | 109.8 | H150 E151 K156 F157 I158 | H150-I154 HydrophobicContact CB-CD1 4.04Å; H150-I154 HydrophobicContact CB-CG1 4.4Å; H150-I154 WeakPolarHBondContact O-CG1 3.29Å; H150-I154 PolarHBondContact O-N 3.48Å; E151-I154 PolarHBondContact O-N 3.42Å; E151-I154 VanDerWaalsContact O-N 3.08Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 3.49Å; I154-F157 PolarHBondContact O-N 3.13Å; I154-I158 HydrophobicContact CG2-CD1 3.7Å; I154-I158 HydrophobicContact CG2-CG1 4.36Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.8Å |
| 155 | D | 93.5 | Very high | 92.3 | Very high | 74 Ų | 74 | 93.8 Ų | 93.8 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 178.8 | -71.3 | -16.6 | 0 | 0 | 0 | 111.5 | E151 F157 I158 N159 | E151-D155 WeakPolarHBondContact O-CB 3.36Å; E151-D155 PolarHBondContact O-N 3.35Å; D155-F157 PolarHBondContact O-N 3.41Å; D155-I158 PolarHBondContact O-N 3.08Å; D155-N159 WeakPolarHBondContact O-CB 3.43Å; D155-N159 VanDerWaalsContact O-CG 3.23Å; D155-N159 PolarHBondContact O-N 2.93Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 VanDerWaalsContact O-ND2 3.08Å |
| 156 | K | 93.9 | Very high | 92.6 | Very high | 126 Ų | 126 | 92.6 Ų | 92.6 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 175.4 | -173.9 | -179.2 | 175.6 | -168.5 | 0 | 111.1 | K152 I154 N159 E160 | K152-K156 VanDerWaalsContact O-CB 3.29Å; K152-K156 WeakPolarHBondContact O-CB 3.44Å; K152-K156 PolarHBondContact O-N 3.01Å; K152-K156 VanDerWaalsContact O-N 3.13Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 3.49Å; K156-N159 PolarHBondContact O-N 3.18Å; K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 IonicContact NZ-OE1 3.63Å; K156-E160 WeakPolarHBondContact O-CB 3.43Å; K156-E160 WeakPolarHBondContact O-CG 3.36Å; K156-E160 PolarHBondContact O-N 3.08Å |
| 157 | F | 94.9 | Very high | 93.1 | Very high | 143 Ų | 143 | 93.5 Ų | 93.5 | 63% | 0.627 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 178.4 | 177.2 | -98 | 0 | 0 | 0 | 112.5 | N153 I154 D155 E160 A161 | N153-F157 WeakPolarHBondContact O-CB 3.44Å; N153-F157 PolarHBondContact O-N 3.36Å; I154-F157 PolarHBondContact O-N 3.13Å; D155-F157 PolarHBondContact O-N 3.41Å; F157-E160 PolarHBondContact O-N 3.08Å; F157-A161 VanDerWaalsContact O-CB 3.32Å; F157-A161 WeakPolarHBondContact O-CB 3.49Å; F157-A161 PolarHBondContact O-N 3.5Å |
| 158 | I | 94.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 96.9 Ų | 96.9 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.4 | -70.1 | 170.5 | 0 | 0 | 0 | 110.6 | I154 D155 A161 S162 | I154-I158 HydrophobicContact CG2-CD1 3.7Å; I154-I158 HydrophobicContact CG2-CG1 4.36Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.8Å; D155-I158 PolarHBondContact O-N 3.08Å; I158-A161 PolarHBondContact O-N 3.14Å; I158-S162 WeakPolarHBondContact O-CB 3.32Å; I158-S162 PolarHBondContact O-N 3.49Å |
| 159 | N | 95.6 | Very high | 94 | Very high | 96 Ų | 96 | 94.5 Ų | 94.5 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 178.1 | -70.4 | -32.5 | 0 | 0 | 0 | 111.4 | D155 K156 A161 S162 D163 | D155-N159 WeakPolarHBondContact O-CB 3.43Å; D155-N159 VanDerWaalsContact O-CG 3.23Å; D155-N159 PolarHBondContact O-N 2.93Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 VanDerWaalsContact O-ND2 3.08Å; K156-N159 PolarHBondContact O-N 3.18Å; N159-A161 VanDerWaalsContact C-N 3.33Å; N159-A161 PolarHBondContact O-N 2.81Å; N159-S162 WeakPolarHBondContact O-CB 3.49Å; N159-S162 PolarHBondContact O-N 3.43Å; N159-S162 VanDerWaalsContact O-N 3.16Å; N159-D163 WeakPolarHBondContact O-CB 3.32Å; N159-D163 VanDerWaalsContact O-CG 3.3Å; N159-D163 PolarHBondContact O-N 2.82Å |
| 160 | E | 95.9 | Very high | 94.3 | Very high | 106 Ų | 106 | 95.9 Ų | 95.9 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 175.6 | -74.6 | 177.3 | 177.8 | 0 | 0 | 112.2 | K156 F157 L164 | K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 IonicContact NZ-OE1 3.63Å; K156-E160 WeakPolarHBondContact O-CB 3.43Å; K156-E160 WeakPolarHBondContact O-CG 3.36Å; K156-E160 PolarHBondContact O-N 3.08Å; F157-E160 PolarHBondContact O-N 3.08Å; E160-L164 WeakPolarHBondContact O-CB 3.49Å; E160-L164 PolarHBondContact O-N 2.99Å |
| 161 | A | 95.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 93.7 Ų | 93.7 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F157 I158 N159 A165 | F157-A161 VanDerWaalsContact O-CB 3.32Å; F157-A161 WeakPolarHBondContact O-CB 3.49Å; F157-A161 PolarHBondContact O-N 3.5Å; I158-A161 PolarHBondContact O-N 3.14Å; N159-A161 VanDerWaalsContact C-N 3.33Å; N159-A161 PolarHBondContact O-N 2.81Å; A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 2.93Å |
| 162 | S | 95.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 92.6 Ų | 92.6 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | I158 N159 A165 G166 | I158-S162 WeakPolarHBondContact O-CB 3.32Å; I158-S162 PolarHBondContact O-N 3.49Å; N159-S162 WeakPolarHBondContact O-CB 3.49Å; N159-S162 PolarHBondContact O-N 3.43Å; N159-S162 VanDerWaalsContact O-N 3.16Å; S162-A165 PolarHBondContact O-N 3.27Å; S162-G166 PolarHBondContact O-N 3.36Å |
| 163 | D | 96.1 | Very high | 95.1 | Very high | 106 Ų | 106 | 91.7 Ų | 91.7 | 57% | 0.567 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 178.1 | -70.5 | -18.5 | 0 | 0 | 0 | 110.7 | N159 A165 G166 D167 | N159-D163 WeakPolarHBondContact O-CB 3.32Å; N159-D163 VanDerWaalsContact O-CG 3.3Å; N159-D163 PolarHBondContact O-N 2.82Å; D163-A165 VanDerWaalsContact C-N 3.33Å; D163-A165 PolarHBondContact O-N 2.69Å; D163-G166 PolarHBondContact O-N 3Å; D163-G166 VanDerWaalsContact O-N 3.13Å; D163-D167 PolarHBondContact O-N 3.24Å |
| 164 | L | 95.7 | Very high | 95.2 | Very high | 126 Ų | 126 | 93.1 Ų | 93.1 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.1 | -43.1 | 174.8 | -176 | 69 | 0 | 0 | 0 | 112 | E160 G166 D167 F168 | E160-L164 WeakPolarHBondContact O-CB 3.49Å; E160-L164 PolarHBondContact O-N 2.99Å; L164-G166 VanDerWaalsContact C-N 3.34Å; L164-D167 PolarHBondContact O-N 3.48Å; L164-F168 PolarHBondContact O-N 3.44Å |
| 165 | A | 96.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 97.1 Ų | 97.1 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A161 S162 D163 G169 | A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 2.93Å; S162-A165 PolarHBondContact O-N 3.27Å; D163-A165 VanDerWaalsContact C-N 3.33Å; D163-A165 PolarHBondContact O-N 2.69Å; A165-G169 PolarHBondContact O-N 3.03Å |
| 166 | G | 96 | Very high | 95.4 | Very high | 34 Ų | 34 | 96.1 Ų | 96.1 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S162 D163 L164 G169 N170 | S162-G166 PolarHBondContact O-N 3.36Å; D163-G166 PolarHBondContact O-N 3Å; D163-G166 VanDerWaalsContact O-N 3.13Å; L164-G166 VanDerWaalsContact C-N 3.34Å; G166-G169 PolarHBondContact O-N 3.47Å; G166-N170 WeakPolarHBondContact O-CB 3.24Å; G166-N170 VanDerWaalsContact O-CG 3.27Å; G166-N170 PolarHBondContact O-N 3.17Å; G166-N170 PolarHBondContact O-ND2 3.07Å |
| 167 | D | 95.9 | Very high | 95.3 | Very high | 111 Ų | 111 | 93.2 Ų | 93.2 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 177.9 | -78.7 | -13.1 | 0 | 0 | 0 | 112 | D163 L164 N170 A171 | D163-D167 PolarHBondContact O-N 3.24Å; L164-D167 PolarHBondContact O-N 3.48Å; D167-N170 PolarHBondContact O-N 3.19Å; D167-A171 VanDerWaalsContact O-CB 3.32Å; D167-A171 WeakPolarHBondContact O-CB 3.16Å; D167-A171 PolarHBondContact O-N 2.81Å |
| 168 | F | 95.8 | Very high | 95.1 | Very high | 164 Ų | 164 | 90.7 Ų | 90.7 | 72% | 0.719 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 175.1 | -167.2 | -92.2 | 0 | 0 | 0 | 111.6 | L164 N170 A171 A172 | L164-F168 PolarHBondContact O-N 3.44Å; F168-N170 PolarHBondContact O-N 3.43Å; F168-A171 PolarHBondContact O-N 2.73Å; F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.91Å |
| 169 | G | 96.2 | Very high | 94.9 | Very high | 31 Ų | 31 | 89.1 Ų | 89.1 | 32% | 0.32 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A165 G166 K173 | A165-G169 PolarHBondContact O-N 3.03Å; G166-G169 PolarHBondContact O-N 3.47Å; G169-K173 WeakPolarHBondContact O-CG 3.4Å; G169-K173 PolarHBondContact O-N 2.76Å |
| 170 | N | 96.3 | Very high | 94.6 | Very high | 99 Ų | 99 | 88.3 Ų | 88.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 177.6 | -72.4 | -26.1 | 0 | 0 | 0 | 112.2 | G166 D167 F168 K173 K174 | G166-N170 WeakPolarHBondContact O-CB 3.24Å; G166-N170 VanDerWaalsContact O-CG 3.27Å; G166-N170 PolarHBondContact O-N 3.17Å; G166-N170 PolarHBondContact O-ND2 3.07Å; D167-N170 PolarHBondContact O-N 3.19Å; F168-N170 PolarHBondContact O-N 3.43Å; N170-K173 PolarHBondContact O-N 2.94Å; N170-K174 WeakPolarHBondContact O-CB 3.44Å; N170-K174 PolarHBondContact O-N 3.32Å |
| 171 | A | 95.4 | Very high | 94 | Very high | 51 Ų | 51 | 85.9 Ų | 85.9 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D167 F168 K174 K175 | D167-A171 VanDerWaalsContact O-CB 3.32Å; D167-A171 WeakPolarHBondContact O-CB 3.16Å; D167-A171 PolarHBondContact O-N 2.81Å; F168-A171 PolarHBondContact O-N 2.73Å; A171-K174 PolarHBondContact O-N 3.2Å; A171-K175 PolarHBondContact O-N 3.45Å |
| 172 | A | 95.3 | Very high | 93.2 | Very high | 48 Ų | 48 | 90.6 Ų | 90.6 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F168 K174 K175 A176 | F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.91Å; A172-K174 VanDerWaalsContact C-N 3.35Å; A172-K174 PolarHBondContact O-N 3.24Å; A172-K175 PolarHBondContact O-N 3.43Å; A172-A176 WeakPolarHBondContact O-CB 3.43Å; A172-A176 PolarHBondContact O-N 3.21Å |
| 173 | K | 95.5 | Very high | 92.5 | Very high | 156 Ų | 156 | 91.3 Ų | 91.3 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 174.4 | -78.5 | 179.1 | -178.8 | 176.7 | 0 | 112.2 | G169 N170 A176 A177 | G169-K173 WeakPolarHBondContact O-CG 3.4Å; G169-K173 PolarHBondContact O-N 2.76Å; N170-K173 PolarHBondContact O-N 2.94Å; K173-A176 PolarHBondContact O-N 3.36Å; K173-A177 WeakPolarHBondContact O-CB 3.48Å; K173-A177 PolarHBondContact O-N 3.48Å |
| 174 | K | 95.1 | Very high | 91.1 | Very high | 138 Ų | 138 | 93.2 Ų | 93.2 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -48.9 | 178.1 | -175.8 | 177.8 | 175.1 | -178.2 | 0 | 111.5 | N170 A171 A172 A176 A177 E178 | N170-K174 WeakPolarHBondContact O-CB 3.44Å; N170-K174 PolarHBondContact O-N 3.32Å; A171-K174 PolarHBondContact O-N 3.2Å; A172-K174 VanDerWaalsContact C-N 3.35Å; A172-K174 PolarHBondContact O-N 3.24Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.82Å; K174-A177 PolarHBondContact O-N 3.31Å; K174-E178 WeakPolarHBondContact CE-OE1 3.27Å; K174-E178 WeakPolarHBondContact O-CG 3.14Å; K174-E178 PolarHBondContact O-N 3.45Å |
| 175 | K | 94 | Very high | 89.6 | Confident | 151 Ų | 151 | 92.6 Ų | 92.6 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 176.2 | -77.7 | -174.2 | 175.5 | -177.4 | 0 | 112.7 | A171 A172 E178 A179 | A171-K175 PolarHBondContact O-N 3.45Å; A172-K175 PolarHBondContact O-N 3.43Å; K175-E178 PolarHBondContact O-N 2.94Å; K175-A179 WeakPolarHBondContact O-CB 3.11Å; K175-A179 PolarHBondContact O-N 3.16Å |
| 176 | A | 93.7 | Very high | 87.9 | Confident | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A172 K173 K174 E178 A179 V180 | A172-A176 WeakPolarHBondContact O-CB 3.43Å; A172-A176 PolarHBondContact O-N 3.21Å; K173-A176 PolarHBondContact O-N 3.36Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.82Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.79Å; A176-A179 PolarHBondContact O-N 3.24Å; A176-V180 WeakPolarHBondContact O-CB 3.35Å; A176-V180 VanDerWaalsContact O-CG2 3.25Å; A176-V180 WeakPolarHBondContact O-CG2 3.24Å; A176-V180 PolarHBondContact O-N 2.94Å |
| 177 | A | 92.5 | Very high | 86.2 | Confident | 64 Ų | 64 | 97.7 Ų | 97.7 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K173 K174 S181 | K173-A177 WeakPolarHBondContact O-CB 3.48Å; K173-A177 PolarHBondContact O-N 3.48Å; K174-A177 PolarHBondContact O-N 3.31Å; A177-S181 WeakPolarHBondContact O-CB 3.34Å; A177-S181 PolarHBondContact O-N 3.37Å; A177-S181 PolarHBondContact O-OG 3.02Å |
| 178 | E | 90.9 | Very high | 84.3 | Confident | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 174.6 | -72.1 | 169.1 | -178.8 | 0 | 0 | 112.4 | K174 K175 A176 S181 Q182 | K174-E178 WeakPolarHBondContact CE-OE1 3.27Å; K174-E178 WeakPolarHBondContact O-CG 3.14Å; K174-E178 PolarHBondContact O-N 3.45Å; K175-E178 PolarHBondContact O-N 2.94Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.79Å; E178-S181 PolarHBondContact O-N 3.32Å; E178-S181 PolarHBondContact O-OG 2.88Å; E178-Q182 WeakPolarHBondContact O-CB 3.34Å; E178-Q182 WeakPolarHBondContact O-CG 3.29Å; E178-Q182 PolarHBondContact O-N 3.31Å |
| 179 | A | 90.1 | Very high | 82.1 | Confident | 59 Ų | 59 | 104.8 Ų | 104.8 | 49% | 0.488 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | K175 A176 Q182 D183 | K175-A179 WeakPolarHBondContact O-CB 3.11Å; K175-A179 PolarHBondContact O-N 3.16Å; A176-A179 PolarHBondContact O-N 3.24Å; A179-Q182 PolarHBondContact O-N 2.88Å; A179-D183 PolarHBondContact O-N 3.27Å |
| 180 | V | 89.2 | Confident | 81.4 | Confident | 80 Ų | 80 | 108.5 Ų | 108.5 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.6 | -44.8 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | A176 Q182 D183 F184 | A176-V180 WeakPolarHBondContact O-CB 3.35Å; A176-V180 VanDerWaalsContact O-CG2 3.25Å; A176-V180 WeakPolarHBondContact O-CG2 3.24Å; A176-V180 PolarHBondContact O-N 2.94Å; V180-Q182 VanDerWaalsContact C-N 3.32Å; V180-Q182 PolarHBondContact O-N 3.43Å; V180-D183 PolarHBondContact O-N 3.44Å; V180-F184 HydrophobicContact CG1-CD2 3.62Å; V180-F184 HydrophobicContact CG1-CE2 3.4Å; V180-F184 VanDerWaalsContact CG1-CE2 3.4Å; V180-F184 WeakPolarHBondContact O-CD2 3.46Å; V180-F184 PolarHBondContact O-N 2.91Å |
| 181 | S | 84.2 | Confident | 80.6 | Confident | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.2 | -35.5 | 177.9 | 69 | 0 | 0 | 0 | 0 | 112.4 | A177 E178 F184 I185 | A177-S181 WeakPolarHBondContact O-CB 3.34Å; A177-S181 PolarHBondContact O-N 3.37Å; A177-S181 PolarHBondContact O-OG 3.02Å; E178-S181 PolarHBondContact O-N 3.32Å; E178-S181 PolarHBondContact O-OG 2.88Å; S181-F184 PolarHBondContact O-N 2.98Å; S181-I185 WeakPolarHBondContact O-CG1 3.36Å; S181-I185 PolarHBondContact O-N 2.96Å |
| 182 | Q | 77.5 | Confident | 79.8 | Confident | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.2 | -40.3 | 173.4 | -75.5 | -174.4 | -7.6 | 0 | 0 | 113.2 | E178 A179 V180 F184 I185 G186 | E178-Q182 WeakPolarHBondContact O-CB 3.34Å; E178-Q182 WeakPolarHBondContact O-CG 3.29Å; E178-Q182 PolarHBondContact O-N 3.31Å; A179-Q182 PolarHBondContact O-N 2.88Å; V180-Q182 VanDerWaalsContact C-N 3.32Å; V180-Q182 PolarHBondContact O-N 3.43Å; Q182-F184 VanDerWaalsContact C-N 3.31Å; Q182-F184 PolarHBondContact O-N 3.21Å; Q182-I185 PolarHBondContact O-N 3.22Å; Q182-G186 PolarHBondContact O-N 2.88Å |
| 183 | D | 80.4 | Confident | 78.9 | Confident | 89 Ų | 89 | 116 Ų | 116 | 48% | 0.476 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.8 | -38 | 173.7 | -169.1 | 69.8 | 0 | 0 | 0 | 111.6 | A179 V180 K187 | A179-D183 PolarHBondContact O-N 3.27Å; V180-D183 PolarHBondContact O-N 3.44Å; D183-K187 PolarHBondContact O-N 3.42Å; D183-K187 IonicContact OD1-NZ 3.11Å; D183-K187 IonicContact OD2-NZ 3.31Å; D183-K187 PolarHBondContact OD2-NZ 3.05Å |
| 184 | F | 67.9 | Low | 77.9 | Confident | 145 Ų | 145 | 113.5 Ų | 113.5 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.2 | -34.1 | 176 | -80.6 | -65.2 | 0 | 0 | 0 | 113.5 | V180 S181 Q182 | V180-F184 HydrophobicContact CG1-CD2 3.62Å; V180-F184 HydrophobicContact CG1-CE2 3.4Å; V180-F184 VanDerWaalsContact CG1-CE2 3.4Å; V180-F184 WeakPolarHBondContact O-CD2 3.46Å; V180-F184 PolarHBondContact O-N 2.91Å; S181-F184 PolarHBondContact O-N 2.98Å; Q182-F184 VanDerWaalsContact C-N 3.31Å; Q182-F184 PolarHBondContact O-N 3.21Å |
| 185 | I | 62.6 | Low | 76.7 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 59% | 0.585 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.4 | -43.2 | 175.6 | -68.1 | 173.4 | 0 | 0 | 0 | 110.5 | S181 Q182 K187 R188 | S181-I185 WeakPolarHBondContact O-CG1 3.36Å; S181-I185 PolarHBondContact O-N 2.96Å; Q182-I185 PolarHBondContact O-N 3.22Å; I185-K187 PolarHBondContact O-N 3.09Å; I185-R188 PolarHBondContact O-N 2.79Å |
| 186 | G | 62 | Low | 75.5 | Confident | 53 Ų | 53 | 109.1 Ų | 109.1 | 55% | 0.546 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66 | -17.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q182 | Q182-G186 PolarHBondContact O-N 2.88Å |
| 187 | K | 58.7 | Low | 74.1 | Confident | 152 Ų | 152 | 113.3 Ų | 113.3 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -4.6 | 171.6 | -80.3 | 177.4 | -177.1 | 142.6 | 0 | 114.4 | D183 I185 | D183-K187 PolarHBondContact O-N 3.42Å; D183-K187 IonicContact OD1-NZ 3.11Å; D183-K187 IonicContact OD2-NZ 3.31Å; D183-K187 PolarHBondContact OD2-NZ 3.05Å; I185-K187 PolarHBondContact O-N 3.09Å |
| 188 | R | 56.1 | Low | 72.6 | Confident | 223 Ų | 223 | 117.4 Ų | 117.4 | 84% | 0.842 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -14.8 | -178.1 | -159.1 | -176.2 | -80.3 | -172.7 | -3.7 | 113.3 | I185 | I185-R188 PolarHBondContact O-N 2.79Š|
| 189 | D | 51.2 | Low | 70.9 | Confident | 202 Ų | 202 | 119.8 Ų | 119.8 | 100% | 1.08 | 62% | 0.624 | S | S | * | * | trans | -91 | 0 | 171.1 | -62.2 | -26 | 0 | 0 | 0 | 111 |
Retrieved 189 of 189 residues in 305.6 ms
(Link to these results)