| 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 | 42.6 | Very low | 50.9 | Low | 237 Ų | 237 | 112.4 Ų | 112.4 | 100% | 1.167 | 62% | 0.619 | S | S | * | * | 0 | 0.6 | 0 | -74.5 | -176.7 | 177.6 | 0 | 0 | 114.7 | |||||
| 2 | A | 43.8 | Very low | 51.7 | Low | 89 Ų | 89 | 114.3 Ų | 114.3 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | trans | -88.7 | -9.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 3 | S | 45.3 | Very low | 52.3 | Low | 92 Ų | 92 | 110.4 Ų | 110.4 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -85.3 | -15.1 | -175 | 59 | 0 | 0 | 0 | 0 | 114.9 | V7 | S3-V7 WeakPolarHBondContact O-CG2 3.2Å |
| 4 | R | 45.9 | Very low | 52.8 | Low | 217 Ų | 217 | 105.6 Ų | 105.6 | 82% | 0.819 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.6 | -24 | -177 | -59.2 | 179.5 | 84.4 | 111.5 | -2.4 | 112.9 | G8 | R4-G8 PolarHBondContact O-N 3.09Å |
| 5 | G | 48.5 | Very low | 53.6 | Low | 44 Ų | 44 | 103.9 Ų | 103.9 | 45% | 0.454 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.7 | -38.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G8 I9 | G5-G8 PolarHBondContact O-N 2.96Å; G5-I9 WeakPolarHBondContact O-CG1 3.45Å; G5-I9 PolarHBondContact O-N 3.39Å |
| 6 | V | 53.1 | Low | 54 | Low | 86 Ų | 86 | 101.6 Ų | 101.6 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.3 | -41.9 | -179 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | G8 I9 F10 | V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 2.84Å; V6-I9 PolarHBondContact O-N 2.99Å; V6-F10 HydrophobicContact CG1-CD2 4.01Å; V6-F10 HydrophobicContact CG1-CE2 3.81Å; V6-F10 VanDerWaalsContact O-CD2 3.28Å; V6-F10 WeakPolarHBondContact O-CD2 3.37Å; V6-F10 PolarHBondContact O-N 3Å |
| 7 | V | 52.8 | Low | 54.5 | Low | 80 Ų | 80 | 102.5 Ų | 102.5 | 49% | 0.485 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | S3 I9 F10 F11 | S3-V7 WeakPolarHBondContact O-CG2 3.2Å; V7-I9 PolarHBondContact O-N 3.15Å; V7-F10 PolarHBondContact O-N 2.99Å; V7-F11 HydrophobicContact CG1-CD2 3.77Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 VanDerWaalsContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.32Å; V7-F11 PolarHBondContact O-N 3.07Å |
| 8 | G | 53.7 | Low | 54.9 | Low | 30 Ų | 30 | 101.6 Ų | 101.6 | 31% | 0.309 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.6 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R4 G5 V6 F11 L12 | R4-G8 PolarHBondContact O-N 3.09Å; G5-G8 PolarHBondContact O-N 2.96Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 2.84Å; G8-F11 PolarHBondContact O-N 3.42Å; G8-L12 WeakPolarHBondContact O-CB 3.2Å; G8-L12 WeakPolarHBondContact O-CD1 3.42Å; G8-L12 PolarHBondContact O-N 3.49Å |
| 9 | I | 58.8 | Low | 55.2 | Low | 121 Ų | 121 | 100 Ų | 100 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.6 | -37.3 | 179.3 | -64.1 | 163.4 | 0 | 0 | 0 | 111.1 | G5 V6 V7 L12 S13 | G5-I9 WeakPolarHBondContact O-CG1 3.45Å; G5-I9 PolarHBondContact O-N 3.39Å; V6-I9 PolarHBondContact O-N 2.99Å; V7-I9 PolarHBondContact O-N 3.15Å; I9-L12 PolarHBondContact O-N 3.26Å; I9-S13 PolarHBondContact O-N 2.9Å; I9-S13 PolarHBondContact O-OG 3.27Å |
| 10 | F | 57 | Low | 55.4 | Low | 101 Ų | 101 | 100.9 Ų | 100.9 | 44% | 0.443 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.6 | -38.5 | 176.1 | -83.2 | -75.5 | 0 | 0 | 0 | 113.1 | V6 V7 L12 S13 A14 L48 | V6-F10 HydrophobicContact CG1-CD2 4.01Å; V6-F10 HydrophobicContact CG1-CE2 3.81Å; V6-F10 VanDerWaalsContact O-CD2 3.28Å; V6-F10 WeakPolarHBondContact O-CD2 3.37Å; V6-F10 PolarHBondContact O-N 3Å; V7-F10 PolarHBondContact O-N 2.99Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-S13 PolarHBondContact O-N 3.43Å; F10-S13 PolarHBondContact O-OG 3.42Å; F10-S13 VanDerWaalsContact O-OG 3.04Å; F10-A14 WeakPolarHBondContact O-CB 3.46Å; F10-A14 PolarHBondContact O-N 3.22Å; F10-L48 HydrophobicContact CE1-CD1 4.08Å; F10-L48 HydrophobicContact CE1-CD2 3.9Å; F10-L48 HydrophobicContact CE2-CD1 4.48Å; F10-L48 HydrophobicContact CZ-CD1 3.56Å; F10-L48 HydrophobicContact CZ-CD2 3.96Å; F10-L48 HydrophobicContact CZ-CG 4.43Å |
| 11 | F | 58.9 | Low | 55.5 | Low | 139 Ų | 139 | 100.8 Ų | 100.8 | 61% | 0.61 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.9 | -40.3 | 172.2 | -79.8 | -70.2 | 0 | 0 | 0 | 111.2 | V7 G8 S13 A14 V15 | V7-F11 HydrophobicContact CG1-CD2 3.77Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 VanDerWaalsContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.32Å; V7-F11 PolarHBondContact O-N 3.07Å; G8-F11 PolarHBondContact O-N 3.42Å; F11-S13 VanDerWaalsContact C-N 3.34Å; F11-S13 PolarHBondContact O-N 3.4Å; F11-A14 PolarHBondContact O-N 3.1Å; F11-V15 WeakPolarHBondContact O-CB 3.21Å; F11-V15 WeakPolarHBondContact O-CG2 3.36Å; F11-V15 PolarHBondContact O-N 2.97Å |
| 12 | L | 59.6 | Low | 56.2 | Low | 135 Ų | 135 | 96.2 Ų | 96.2 | 71% | 0.707 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.3 | -27 | 176 | -99.6 | 130.7 | 0 | 0 | 0 | 114.1 | G8 I9 F10 P16 | G8-L12 WeakPolarHBondContact O-CB 3.2Å; G8-L12 WeakPolarHBondContact O-CD1 3.42Å; G8-L12 PolarHBondContact O-N 3.49Å; I9-L12 PolarHBondContact O-N 3.26Å; F10-L12 VanDerWaalsContact C-N 3.34Å; L12-P16 WeakPolarHBondContact O-CD 3.39Å; L12-P16 WeakPolarHBondContact O-CG 3.39Å |
| 13 | S | 59.7 | Low | 56.7 | Low | 64 Ų | 64 | 102.6 Ų | 102.6 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -85 | -29 | 174 | 65 | 0 | 0 | 0 | 0 | 113.5 | I9 F10 F11 | I9-S13 PolarHBondContact O-N 2.9Å; I9-S13 PolarHBondContact O-OG 3.27Å; F10-S13 PolarHBondContact O-N 3.43Å; F10-S13 PolarHBondContact O-OG 3.42Å; F10-S13 VanDerWaalsContact O-OG 3.04Å; F11-S13 VanDerWaalsContact C-N 3.34Å; F11-S13 PolarHBondContact O-N 3.4Å |
| 14 | A | 59.7 | Low | 57.1 | Low | 43 Ų | 43 | 107.8 Ų | 107.8 | 36% | 0.355 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78 | -31.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F10 F11 L17 V18 | F10-A14 WeakPolarHBondContact O-CB 3.46Å; F10-A14 PolarHBondContact O-N 3.22Å; F11-A14 PolarHBondContact O-N 3.1Å; A14-L17 PolarHBondContact O-N 3.48Å; A14-V18 WeakPolarHBondContact O-CG2 3.47Å; A14-V18 PolarHBondContact O-N 3.29Å |
| 15 | V | 64.1 | Low | 57.2 | Low | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.485 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 179.9 | 166.1 | 0 | 0 | 0 | 0 | 113 | F11 L17 V18 C19 | F11-V15 WeakPolarHBondContact O-CB 3.21Å; F11-V15 WeakPolarHBondContact O-CG2 3.36Å; F11-V15 PolarHBondContact O-N 2.97Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.36Å; V15-V18 PolarHBondContact O-N 3.42Å; V15-C19 WeakPolarHBondContact O-CB 3.39Å; V15-C19 PolarHBondContact O-N 2.81Å; V15-C19 PolarHBondContact O-SG 2.9Å |
| 16 | P | 61 | Low | 57.7 | Low | 67 Ų | 67 | 106.3 Ų | 106.3 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.6 | -33.9 | 174.9 | -23.4 | 32.6 | 0 | 0 | 0 | 114 | L12 L20 | L12-P16 WeakPolarHBondContact O-CD 3.39Å; L12-P16 WeakPolarHBondContact O-CG 3.39Å; P16-L20 VanDerWaalsContact O-CB 3.27Å; P16-L20 WeakPolarHBondContact O-CB 3.45Å; P16-L20 WeakPolarHBondContact O-CG 3.38Å; P16-L20 PolarHBondContact O-N 2.98Å |
| 17 | L | 61.4 | Low | 57.6 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.5 | -45.9 | 176.1 | -92.3 | 147.3 | 0 | 0 | 0 | 111.1 | A14 V15 L20 E21 | A14-L17 PolarHBondContact O-N 3.48Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 2.89Å; L17-E21 WeakPolarHBondContact O-CG 3.21Å; L17-E21 PolarHBondContact O-N 3.35Å; L17-E21 VanDerWaalsContact O-N 3.16Å |
| 18 | V | 62.2 | Low | 58 | Low | 86 Ų | 86 | 109.9 Ų | 109.9 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69 | -37.3 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | A14 V15 E21 L22 | A14-V18 WeakPolarHBondContact O-CG2 3.47Å; A14-V18 PolarHBondContact O-N 3.29Å; V15-V18 PolarHBondContact O-N 3.42Å; V18-E21 PolarHBondContact O-N 2.83Å; V18-L22 HydrophobicContact CG1-CD1 4.03Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 PolarHBondContact O-N 2.93Å |
| 19 | C | 60.2 | Low | 58.2 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 49% | 0.486 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.8 | -29.1 | 175 | -71.7 | 0 | 0 | 0 | 0 | 113.2 | V15 R23 | V15-C19 WeakPolarHBondContact O-CB 3.39Å; V15-C19 PolarHBondContact O-N 2.81Å; V15-C19 PolarHBondContact O-SG 2.9Å; C19-R23 VanDerWaalsContact O-CB 3.25Å; C19-R23 WeakPolarHBondContact O-CB 3.35Å; C19-R23 PolarHBondContact O-N 2.88Å; C19-R23 VanDerWaalsContact O-N 3.09Å |
| 20 | L | 59 | Low | 58.7 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72 | -38.4 | 173.5 | -91.5 | 162.7 | 0 | 0 | 0 | 112.2 | P16 L17 R23 R24 | P16-L20 VanDerWaalsContact O-CB 3.27Å; P16-L20 WeakPolarHBondContact O-CB 3.45Å; P16-L20 WeakPolarHBondContact O-CG 3.38Å; P16-L20 PolarHBondContact O-N 2.98Å; L17-L20 PolarHBondContact O-N 2.89Å; L20-R23 PolarHBondContact O-N 3.47Å; L20-R24 PolarHBondContact O-N 3.16Å |
| 21 | E | 59.3 | Low | 59.5 | Low | 99 Ų | 99 | 112 Ų | 112 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -38.2 | 174.5 | -67.6 | -66.9 | 167.3 | 0 | 0 | 111.7 | L17 V18 | L17-E21 WeakPolarHBondContact O-CG 3.21Å; L17-E21 PolarHBondContact O-N 3.35Å; L17-E21 VanDerWaalsContact O-N 3.16Å; V18-E21 PolarHBondContact O-N 2.83Å |
| 22 | L | 56.6 | Low | 60.3 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.4 | -25.1 | 175.7 | -88.1 | 154.9 | 0 | 0 | 0 | 114 | V18 | V18-L22 HydrophobicContact CG1-CD1 4.03Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 PolarHBondContact O-N 2.93Å |
| 23 | R | 54.6 | Low | 61.1 | Low | 223 Ų | 223 | 111.7 Ų | 111.7 | 84% | 0.842 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -87.3 | -17.8 | 179.9 | -160.9 | 177 | -159.8 | -151 | 4.6 | 113.3 | C19 L20 G25 | C19-R23 VanDerWaalsContact O-CB 3.25Å; C19-R23 WeakPolarHBondContact O-CB 3.35Å; C19-R23 PolarHBondContact O-N 2.88Å; C19-R23 VanDerWaalsContact O-N 3.09Å; L20-R23 PolarHBondContact O-N 3.47Å; R23-G25 VanDerWaalsContact C-N 3.32Å; R23-G25 PolarHBondContact O-N 2.96Å; R23-G25 VanDerWaalsContact O-N 3.13Å |
| 24 | R | 53.1 | Low | 61.9 | Low | 200 Ų | 200 | 115.1 Ų | 115.1 | 76% | 0.755 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -80.2 | 88.2 | 164.6 | -103.9 | 177.6 | 174.4 | 144.8 | -1.4 | 107.6 | L20 I26 | L20-R24 PolarHBondContact O-N 3.16Å; R24-I26 PolarHBondContact O-N 3.45Å |
| 25 | G | 48.4 | Very low | 62.9 | Low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | trans | -43.5 | 131.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | R23 P27 | R23-G25 VanDerWaalsContact C-N 3.32Å; R23-G25 PolarHBondContact O-N 2.96Å; R23-G25 VanDerWaalsContact O-N 3.13Å; G25-P27 WeakPolarHBondContact O-CD 3.44Å | ||
| 26 | I | 58.5 | Low | 63.7 | Low | 169 Ų | 169 | 120.1 Ų | 120.1 | 87% | 0.867 | 62% | 0.624 | S | S | * | * | trans | -29.7 | 103.1 | -175.1 | -54.1 | 156.7 | 0 | 0 | 0 | 111.4 | R24 | R24-I26 PolarHBondContact O-N 3.45Š| ||
| 27 | P | 51.6 | Low | 64.7 | Low | 76 Ų | 76 | 120.2 Ų | 120.2 | 49% | 0.494 | 62% | 0.62 | S | S | . | * | trans | -100.9 | 139.2 | 154.7 | 28.9 | -11.5 | 0 | 0 | 0 | 107 | G25 I29 | G25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-I29 PolarHBondContact O-N 3.41Å | ||
| 28 | D | 60.7 | Low | 65.7 | Low | 165 Ų | 165 | 117.1 Ų | 117.1 | 88% | 0.882 | 61% | 0.608 | S | S | * | * | trans | -37.3 | 93.8 | 178 | -69.2 | -48.9 | 0 | 0 | 0 | 113 | G30 | D28-G30 PolarHBondContact O-N 3.14Å; D28-G30 VanDerWaalsContact O-N 3.07Å | ||
| 29 | I | 58.3 | Low | 67.1 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 56% | 0.564 | 60% | 0.601 | S | S | * | * | trans | -76.4 | 103.9 | -176.8 | -93.6 | 159.1 | 0 | 0 | 0 | 105.9 | P27 F34 | P27-I29 PolarHBondContact O-N 3.41Å; I29-F34 HydrophobicContact CG2-CB 4.28Å | ||
| 30 | G | 69.6 | Low | 68.4 | Low | 35 Ų | 35 | 119.5 Ų | 119.5 | 36% | 0.361 | 61% | 0.609 | S | S | . | * | trans | -60.1 | 140 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | D28 K32 D33 F34 | D28-G30 PolarHBondContact O-N 3.14Å; D28-G30 VanDerWaalsContact O-N 3.07Å; G30-K32 PolarHBondContact O-N 2.68Å; G30-D33 PolarHBondContact O-N 2.84Å; G30-F34 PolarHBondContact O-N 3.11Å | ||
| 31 | I | 73.6 | Confident | 69.8 | Low | 150 Ų | 150 | 118.8 Ų | 118.8 | 77% | 0.769 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -49.7 | -27.9 | 178.3 | -61.8 | 161.9 | 0 | 0 | 0 | 111.9 | L35 | I31-L35 WeakPolarHBondContact O-CB 3.44Å; I31-L35 PolarHBondContact O-N 3.35Å |
| 32 | K | 75.6 | Confident | 71.2 | Confident | 170 Ų | 170 | 119.2 Ų | 119.2 | 74% | 0.739 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.5 | -40.6 | 176.5 | -63.1 | -178.8 | -179.8 | 179.6 | 0 | 113.2 | G30 L35 L36 | G30-K32 PolarHBondContact O-N 2.68Å; K32-L35 PolarHBondContact O-N 3.13Å; K32-L36 WeakPolarHBondContact O-CB 3.01Å; K32-L36 PolarHBondContact O-N 3.45Å |
| 33 | D | 76.5 | Confident | 72.9 | Confident | 99 Ų | 99 | 117.6 Ų | 117.6 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.7 | -35.7 | 179.5 | -62.9 | -39.8 | 0 | 0 | 0 | 110.9 | G30 L36 L37 | G30-D33 PolarHBondContact O-N 2.84Å; D33-L36 PolarHBondContact O-N 2.78Å; D33-L37 WeakPolarHBondContact O-CB 3.3Å; D33-L37 PolarHBondContact O-N 3.23Å |
| 34 | F | 76.5 | Confident | 74.5 | Confident | 136 Ų | 136 | 112.5 Ų | 112.5 | 60% | 0.596 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.1 | -42.2 | 171.1 | -172.2 | -97.8 | 0 | 0 | 0 | 112 | I29 G30 L37 C38 | I29-F34 HydrophobicContact CG2-CB 4.28Å; G30-F34 PolarHBondContact O-N 3.11Å; F34-L37 PolarHBondContact O-N 3.08Å; F34-C38 VanDerWaalsContact O-CB 3.27Å; F34-C38 WeakPolarHBondContact O-CB 3.5Å; F34-C38 PolarHBondContact O-N 2.89Å |
| 35 | L | 79.8 | Confident | 76.2 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 65% | 0.649 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.1 | -39.3 | 177.3 | -165.2 | 69.5 | 0 | 0 | 0 | 111.9 | I31 K32 G39 | I31-L35 WeakPolarHBondContact O-CB 3.44Å; I31-L35 PolarHBondContact O-N 3.35Å; K32-L35 PolarHBondContact O-N 3.13Å; L35-G39 PolarHBondContact O-N 3.06Å |
| 36 | L | 81.7 | Confident | 78.3 | Confident | 103 Ų | 103 | 107.4 Ų | 107.4 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.6 | -41.4 | 174.4 | -86 | 159.4 | 0 | 0 | 0 | 112.3 | K32 D33 G39 R40 | K32-L36 WeakPolarHBondContact O-CB 3.01Å; K32-L36 PolarHBondContact O-N 3.45Å; D33-L36 PolarHBondContact O-N 2.78Å; L36-G39 PolarHBondContact O-N 3.49Å; L36-R40 WeakPolarHBondContact O-CG 3.3Å; L36-R40 PolarHBondContact O-N 3.02Å; L36-R40 VanDerWaalsContact O-N 3.11Å |
| 37 | L | 81.8 | Confident | 79.9 | Confident | 69 Ų | 69 | 103.6 Ų | 103.6 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.4 | -45 | 176.8 | -171.3 | 67 | 0 | 0 | 0 | 111.2 | D33 F34 G39 R40 I41 | D33-L37 WeakPolarHBondContact O-CB 3.3Å; D33-L37 PolarHBondContact O-N 3.23Å; F34-L37 PolarHBondContact O-N 3.08Å; L37-G39 VanDerWaalsContact C-N 3.35Å; L37-G39 PolarHBondContact O-N 3.02Å; L37-R40 PolarHBondContact O-N 3.11Å; L37-I41 HydrophobicContact CG-CD1 4.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.98Å; L37-I41 VanDerWaalsContact O-N 3.08Å |
| 38 | C | 82.8 | Confident | 81.7 | Confident | 52 Ų | 52 | 102.6 Ų | 102.6 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 175.1 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | F34 R40 I41 L42 | F34-C38 VanDerWaalsContact O-CB 3.27Å; F34-C38 WeakPolarHBondContact O-CB 3.5Å; F34-C38 PolarHBondContact O-N 2.89Å; C38-R40 VanDerWaalsContact C-N 3.35Å; C38-R40 PolarHBondContact O-N 3.28Å; C38-I41 PolarHBondContact O-N 2.93Å; C38-L42 WeakPolarHBondContact O-CG 3.5Å; C38-L42 PolarHBondContact O-N 2.62Å |
| 39 | G | 90.4 | Very high | 83.2 | Confident | 37 Ų | 37 | 98.4 Ų | 98.4 | 38% | 0.381 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L35 L36 L37 L42 L43 | L35-G39 PolarHBondContact O-N 3.06Å; L36-G39 PolarHBondContact O-N 3.49Å; L37-G39 VanDerWaalsContact C-N 3.35Å; L37-G39 PolarHBondContact O-N 3.02Å; G39-L42 PolarHBondContact O-N 3.06Å; G39-L43 WeakPolarHBondContact O-CB 3.16Å; G39-L43 PolarHBondContact O-N 3.21Å |
| 40 | R | 89.1 | Confident | 84.8 | Confident | 172 Ų | 172 | 98.1 Ų | 98.1 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -40.5 | 176.4 | -72.8 | 176.8 | 178.8 | 177.2 | 1.2 | 112.4 | L36 L37 C38 L43 L44 | L36-R40 WeakPolarHBondContact O-CG 3.3Å; L36-R40 PolarHBondContact O-N 3.02Å; L36-R40 VanDerWaalsContact O-N 3.11Å; L37-R40 PolarHBondContact O-N 3.11Å; C38-R40 VanDerWaalsContact C-N 3.35Å; C38-R40 PolarHBondContact O-N 3.28Å; R40-L43 PolarHBondContact O-N 3.26Å; R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 3.29Å |
| 41 | I | 87.1 | Confident | 85.5 | Confident | 103 Ų | 103 | 100 Ų | 100 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 177.3 | -66 | 165.6 | 0 | 0 | 0 | 110.5 | L37 C38 L43 L44 L45 | L37-I41 HydrophobicContact CG-CD1 4.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.98Å; L37-I41 VanDerWaalsContact O-N 3.08Å; C38-I41 PolarHBondContact O-N 2.93Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 3.39Å; I41-L44 PolarHBondContact O-N 3.49Å; I41-L45 WeakPolarHBondContact O-CB 3.41Å; I41-L45 PolarHBondContact O-N 3.31Å |
| 42 | L | 89.1 | Confident | 86.2 | Confident | 108 Ų | 108 | 96.9 Ų | 96.9 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 177 | -69.9 | 174.4 | 0 | 0 | 0 | 112.2 | C38 G39 L45 A46 | C38-L42 WeakPolarHBondContact O-CG 3.5Å; C38-L42 PolarHBondContact O-N 2.62Å; G39-L42 PolarHBondContact O-N 3.06Å; L42-L45 PolarHBondContact O-N 3.15Å; L42-A46 WeakPolarHBondContact O-CB 3.47Å; L42-A46 PolarHBondContact O-N 3.05Å |
| 43 | L | 91.4 | Very high | 86.5 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -40.9 | 177.2 | -170.1 | 146.9 | 0 | 0 | 0 | 112 | G39 R40 I41 L45 A46 L47 | G39-L43 WeakPolarHBondContact O-CB 3.16Å; G39-L43 PolarHBondContact O-N 3.21Å; R40-L43 PolarHBondContact O-N 3.26Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 3.39Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-A46 PolarHBondContact O-N 3.23Å; L43-L47 HydrophobicContact CD2-CD1 3.63Å; L43-L47 HydrophobicContact CD2-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.42Å |
| 44 | L | 88.8 | Confident | 86.9 | Confident | 116 Ų | 116 | 91.4 Ų | 91.4 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -39 | 173.9 | -71.6 | 172.8 | 0 | 0 | 0 | 111.8 | R40 I41 L47 L48 | R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 3.29Å; I41-L44 PolarHBondContact O-N 3.49Å; L44-L47 PolarHBondContact O-N 3.03Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 PolarHBondContact O-N 2.88Å |
| 45 | L | 89.3 | Confident | 87.1 | Confident | 98 Ų | 98 | 88.4 Ų | 88.4 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 176.7 | -170.1 | 63.6 | 0 | 0 | 0 | 112 | I41 L42 L43 L48 T49 | I41-L45 WeakPolarHBondContact O-CB 3.41Å; I41-L45 PolarHBondContact O-N 3.31Å; L42-L45 PolarHBondContact O-N 3.15Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L45-L48 PolarHBondContact O-N 2.74Å; L45-T49 WeakPolarHBondContact O-CG2 3.3Å; L45-T49 PolarHBondContact O-N 2.83Å; L45-T49 PolarHBondContact O-OG1 3.35Å |
| 46 | A | 92.8 | Very high | 86.8 | Confident | 56 Ų | 56 | 85.4 Ų | 85.4 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L42 L43 T49 L50 | L42-A46 WeakPolarHBondContact O-CB 3.47Å; L42-A46 PolarHBondContact O-N 3.05Å; L43-A46 PolarHBondContact O-N 3.23Å; A46-T49 WeakPolarHBondContact CA-OG1 3.5Å; A46-T49 PolarHBondContact O-N 3.3Å; A46-T49 PolarHBondContact O-OG1 3.49Å; A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 3.32Å |
| 47 | L | 91.9 | Very high | 86.2 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 175.4 | -73.5 | 171.8 | 0 | 0 | 0 | 112.2 | L43 L44 L50 T51 | L43-L47 HydrophobicContact CD2-CD1 3.63Å; L43-L47 HydrophobicContact CD2-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.42Å; L44-L47 PolarHBondContact O-N 3.03Å; L47-L50 PolarHBondContact O-N 2.76Å; L47-T51 WeakPolarHBondContact O-CB 3.49Å; L47-T51 VanDerWaalsContact O-CG2 3.29Å; L47-T51 WeakPolarHBondContact O-CG2 3.2Å; L47-T51 PolarHBondContact O-N 3.45Å; L47-T51 PolarHBondContact O-OG1 3.3Å |
| 48 | L | 89.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 89.4 Ų | 89.4 | 29% | 0.288 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 176.9 | -175.9 | 64.5 | 0 | 0 | 0 | 111.4 | F10 L44 L45 T51 I52 | F10-L48 HydrophobicContact CE1-CD1 4.08Å; F10-L48 HydrophobicContact CE1-CD2 3.9Å; F10-L48 HydrophobicContact CE2-CD1 4.48Å; F10-L48 HydrophobicContact CZ-CD1 3.56Å; F10-L48 HydrophobicContact CZ-CD2 3.96Å; F10-L48 HydrophobicContact CZ-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 PolarHBondContact O-N 2.88Å; L45-L48 PolarHBondContact O-N 2.74Å; L48-T51 WeakPolarHBondContact CA-OG1 3.35Å; L48-T51 PolarHBondContact O-N 2.99Å; L48-T51 PolarHBondContact O-OG1 3.13Å; L48-I52 HydrophobicContact CD1-CD1 4.22Å; L48-I52 HydrophobicContact CG-CD1 3.97Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 3.18Å |
| 49 | T | 92.1 | Very high | 84.8 | Confident | 77 Ų | 77 | 91.9 Ų | 91.9 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -38 | 176.9 | 48 | 0 | 0 | 0 | 0 | 112 | L45 A46 S53 | L45-T49 WeakPolarHBondContact O-CG2 3.3Å; L45-T49 PolarHBondContact O-N 2.83Å; L45-T49 PolarHBondContact O-OG1 3.35Å; A46-T49 WeakPolarHBondContact CA-OG1 3.5Å; A46-T49 PolarHBondContact O-N 3.3Å; A46-T49 PolarHBondContact O-OG1 3.49Å; T49-S53 WeakPolarHBondContact O-CB 3.31Å; T49-S53 PolarHBondContact O-N 3.42Å; T49-S53 PolarHBondContact O-OG 3.22Å |
| 50 | L | 90.7 | Very high | 83.4 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 174.1 | -173.8 | 68.9 | 0 | 0 | 0 | 112.1 | A46 L47 I52 S53 V54 | A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 3.32Å; L47-L50 PolarHBondContact O-N 2.76Å; L50-I52 PolarHBondContact O-N 2.82Å; L50-S53 PolarHBondContact O-N 3.03Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.1Å |
| 51 | T | 85 | Confident | 82.1 | Confident | 74 Ų | 74 | 91.1 Ų | 91.1 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 178.9 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | L47 L48 T55 | L47-T51 WeakPolarHBondContact O-CB 3.49Å; L47-T51 VanDerWaalsContact O-CG2 3.29Å; L47-T51 WeakPolarHBondContact O-CG2 3.2Å; L47-T51 PolarHBondContact O-N 3.45Å; L47-T51 PolarHBondContact O-OG1 3.3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.35Å; L48-T51 PolarHBondContact O-N 2.99Å; L48-T51 PolarHBondContact O-OG1 3.13Å; T51-T55 VanDerWaalsContact O-CB 3.29Å; T51-T55 WeakPolarHBondContact O-CB 3.34Å; T51-T55 WeakPolarHBondContact O-CG2 3.42Å; T51-T55 PolarHBondContact O-N 3.45Å; T51-T55 PolarHBondContact O-OG1 3.45Å |
| 52 | I | 87.8 | Confident | 80.7 | Confident | 86 Ų | 86 | 93.3 Ų | 93.3 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 172.5 | -66.8 | 165.6 | 0 | 0 | 0 | 110.7 | L48 L50 T55 T56 | L48-I52 HydrophobicContact CD1-CD1 4.22Å; L48-I52 HydrophobicContact CG-CD1 3.97Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 3.18Å; L50-I52 PolarHBondContact O-N 2.82Å; I52-T55 WeakPolarHBondContact CA-OG1 3.41Å; I52-T55 PolarHBondContact O-N 2.92Å; I52-T55 PolarHBondContact O-OG1 2.82Å; I52-T56 HydrophobicContact CG2-CG2 3.95Å; I52-T56 VanDerWaalsContact O-CB 3.24Å; I52-T56 WeakPolarHBondContact O-CB 3.41Å; I52-T56 WeakPolarHBondContact O-CG2 3.11Å; I52-T56 PolarHBondContact O-N 3.47Å; I52-T56 PolarHBondContact O-OG1 2.82Å |
| 53 | S | 82.8 | Confident | 79 | Confident | 69 Ų | 69 | 95.2 Ų | 95.2 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 179.9 | -59 | 0 | 0 | 0 | 0 | 112.1 | T49 L50 T56 S57 | T49-S53 WeakPolarHBondContact O-CB 3.31Å; T49-S53 PolarHBondContact O-N 3.42Å; T49-S53 PolarHBondContact O-OG 3.22Å; L50-S53 PolarHBondContact O-N 3.03Å; S53-T56 PolarHBondContact O-OG1 3.49Å; S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 3.02Å |
| 54 | V | 85.6 | Confident | 77.2 | Confident | 84 Ų | 84 | 93.6 Ų | 93.6 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 177.6 | 174.9 | 0 | 0 | 0 | 0 | 111 | L50 W58 | L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.1Å; V54-W58 WeakPolarHBondContact O-CB 3.37Å; V54-W58 PolarHBondContact O-N 3.26Å |
| 55 | T | 80.2 | Confident | 75.9 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.2 | -38.7 | -179.5 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | T51 I52 W58 L59 | T51-T55 VanDerWaalsContact O-CB 3.29Å; T51-T55 WeakPolarHBondContact O-CB 3.34Å; T51-T55 WeakPolarHBondContact O-CG2 3.42Å; T51-T55 PolarHBondContact O-N 3.45Å; T51-T55 PolarHBondContact O-OG1 3.45Å; I52-T55 WeakPolarHBondContact CA-OG1 3.41Å; I52-T55 PolarHBondContact O-N 2.92Å; I52-T55 PolarHBondContact O-OG1 2.82Å; T55-W58 PolarHBondContact O-N 3.44Å; T55-L59 VanDerWaalsContact O-CB 3.22Å; T55-L59 WeakPolarHBondContact O-CB 3.36Å; T55-L59 WeakPolarHBondContact O-CD1 3.49Å; T55-L59 WeakPolarHBondContact O-CG 3.49Å; T55-L59 PolarHBondContact O-N 3.41Å |
| 56 | T | 73.9 | Confident | 74.3 | Confident | 62 Ų | 62 | 95.7 Ų | 95.7 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 175.2 | 55 | 0 | 0 | 0 | 0 | 111.9 | I52 S53 L59 N60 | I52-T56 HydrophobicContact CG2-CG2 3.95Å; I52-T56 VanDerWaalsContact O-CB 3.24Å; I52-T56 WeakPolarHBondContact O-CB 3.41Å; I52-T56 WeakPolarHBondContact O-CG2 3.11Å; I52-T56 PolarHBondContact O-N 3.47Å; I52-T56 PolarHBondContact O-OG1 2.82Å; S53-T56 PolarHBondContact O-OG1 3.49Å; T56-L59 PolarHBondContact O-N 2.78Å; T56-N60 WeakPolarHBondContact O-CB 3.48Å; T56-N60 PolarHBondContact O-N 3.23Å; T56-N60 PolarHBondContact O-ND2 3.26Å; T56-N60 VanDerWaalsContact O-ND2 3.13Å |
| 57 | S | 69.1 | Low | 72.5 | Confident | 83 Ų | 83 | 97.8 Ų | 97.8 | 58% | 0.58 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 173.7 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | S53 S61 | S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 3.02Å; S57-S61 PolarHBondContact O-N 3.37Å; S57-S61 VanDerWaalsContact O-N 3.11Å |
| 58 | W | 67.5 | Low | 70.9 | Confident | 172 Ų | 172 | 101.7 Ų | 101.7 | 65% | 0.652 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -51.6 | 175.7 | -170.9 | -54.5 | 0 | 0 | 0 | 110.9 | V54 T55 N60 S61 F62 | V54-W58 WeakPolarHBondContact O-CB 3.37Å; V54-W58 PolarHBondContact O-N 3.26Å; T55-W58 PolarHBondContact O-N 3.44Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 3.36Å; W58-S61 WeakPolarHBondContact O-CB 3.24Å; W58-S61 PolarHBondContact O-N 3.03Å; W58-S61 PolarHBondContact O-OG 3.08Å; W58-F62 AromaticContact CD1-CD2 3.33Å; W58-F62 AromaticContact CD1-CE2 3.4Å; W58-F62 AromaticContact CE2-CE2 3.84Å; W58-F62 HydrophobicContact CG-CD2 4.47Å; W58-F62 HydrophobicContact CG-CE2 4.45Å; W58-F62 HydrophobicContact CZ2-CE2 4.47Å; W58-F62 AromaticContact NE1-CD2 3.38Å; W58-F62 AromaticContact NE1-CE2 2.92Å; W58-F62 AromaticContact NE1-CZ 3.78Å; W58-F62 WeakPolarHBondContact O-CD2 3.39Å; W58-F62 PolarHBondContact O-N 2.97Å; W58-F62 VanDerWaalsContact O-N 3.16Å |
| 59 | L | 66 | Low | 69.7 | Low | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.1 | -35.3 | 179.7 | -74.4 | 165 | 0 | 0 | 0 | 112.7 | T55 T56 S61 F62 K63 | T55-L59 VanDerWaalsContact O-CB 3.22Å; T55-L59 WeakPolarHBondContact O-CB 3.36Å; T55-L59 WeakPolarHBondContact O-CD1 3.49Å; T55-L59 WeakPolarHBondContact O-CG 3.49Å; T55-L59 PolarHBondContact O-N 3.41Å; T56-L59 PolarHBondContact O-N 2.78Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-F62 PolarHBondContact O-N 3.3Å; L59-K63 PolarHBondContact O-N 2.95Å |
| 60 | N | 61.3 | Low | 68.5 | Low | 106 Ų | 106 | 107.7 Ų | 107.7 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.8 | -26.4 | 174.8 | -72 | -21.9 | 0 | 0 | 0 | 112.3 | T56 W58 | T56-N60 WeakPolarHBondContact O-CB 3.48Å; T56-N60 PolarHBondContact O-N 3.23Å; T56-N60 PolarHBondContact O-ND2 3.26Å; T56-N60 VanDerWaalsContact O-ND2 3.13Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 3.36Å |
| 61 | S | 61.3 | Low | 67.7 | Low | 87 Ų | 87 | 107.3 Ų | 107.3 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.2 | -31.4 | 171.5 | 84.2 | 0 | 0 | 0 | 0 | 112.9 | S57 W58 L59 | S57-S61 PolarHBondContact O-N 3.37Å; S57-S61 VanDerWaalsContact O-N 3.11Å; W58-S61 WeakPolarHBondContact O-CB 3.24Å; W58-S61 PolarHBondContact O-N 3.03Å; W58-S61 PolarHBondContact O-OG 3.08Å; L59-S61 VanDerWaalsContact C-N 3.31Å |
| 62 | F | 59.2 | Low | 67.2 | Low | 149 Ų | 149 | 109 Ų | 109 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -79.9 | -23.3 | 177 | -86 | -93.9 | 0 | 0 | 0 | 113.3 | W58 L59 S64 | W58-F62 AromaticContact CD1-CD2 3.33Å; W58-F62 AromaticContact CD1-CE2 3.4Å; W58-F62 AromaticContact CE2-CE2 3.84Å; W58-F62 HydrophobicContact CG-CD2 4.47Å; W58-F62 HydrophobicContact CG-CE2 4.45Å; W58-F62 HydrophobicContact CZ2-CE2 4.47Å; W58-F62 AromaticContact NE1-CD2 3.38Å; W58-F62 AromaticContact NE1-CE2 2.92Å; W58-F62 AromaticContact NE1-CZ 3.78Å; W58-F62 WeakPolarHBondContact O-CD2 3.39Å; W58-F62 PolarHBondContact O-N 2.97Å; W58-F62 VanDerWaalsContact O-N 3.16Å; L59-F62 PolarHBondContact O-N 3.3Å; F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3.32Å |
| 63 | K | 52.8 | Low | 66.9 | Low | 149 Ų | 149 | 111.3 Ų | 111.3 | 65% | 0.648 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -77.9 | 85.2 | 169.5 | -74.7 | -174.4 | 179.4 | -177.4 | 0 | 109.3 | L59 P65 | L59-K63 PolarHBondContact O-N 2.95Å; K63-P65 WeakPolarHBondContact O-CD 3.43Å; K63-P65 WeakPolarHBondContact O-CG 3.46Å |
| 64 | S | 53.9 | Low | 67.1 | Low | 73 Ų | 73 | 112.5 Ų | 112.5 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | trans | -60.5 | 109.9 | 165.4 | 71.2 | 0 | 0 | 0 | 0 | 108.4 | F62 Q66 | F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3.32Å; S64-Q66 PolarHBondContact O-N 2.85Å; S64-Q66 VanDerWaalsContact O-N 3.16Å | ||
| 65 | P | 60.3 | Low | 67.2 | Low | 98 Ų | 98 | 113.7 Ų | 113.7 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.2 | -17.6 | -173.7 | -18.6 | 33.9 | 0 | 0 | 0 | 112.4 | K63 L69 | K63-P65 WeakPolarHBondContact O-CD 3.43Å; K63-P65 WeakPolarHBondContact O-CG 3.46Å; P65-L69 WeakPolarHBondContact O-CB 3.47Å; P65-L69 PolarHBondContact O-N 2.93Å |
| 66 | Q | 57 | Low | 67.7 | Low | 160 Ų | 160 | 114 Ų | 114 | 75% | 0.748 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -82.8 | -28.7 | -164.5 | -160.2 | 164 | 8.5 | 0 | 0 | 114.3 | S64 K70 | S64-Q66 PolarHBondContact O-N 2.85Å; S64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-K70 VanDerWaalsContact O-CB 3.28Å; Q66-K70 WeakPolarHBondContact O-CB 3.48Å; Q66-K70 PolarHBondContact O-N 3.4Å |
| 67 | V | 55.5 | Low | 68.6 | Low | 100 Ų | 100 | 115.4 Ų | 115.4 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -80.2 | -41.5 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | E71 | V67-E71 PolarHBondContact O-N 3.45Å |
| 68 | Y | 57.1 | Low | 69.9 | Low | 171 Ų | 171 | 117.1 Ų | 117.1 | 67% | 0.671 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.4 | -42.6 | -179.9 | -172 | -95.9 | 0 | 0 | 0 | 112.5 | K70 E71 E72 | Y68-K70 VanDerWaalsContact C-N 3.34Å; Y68-K70 PolarHBondContact O-N 3.06Å; Y68-E71 PolarHBondContact O-N 3.09Å; Y68-E72 PolarHBondContact O-N 3.23Å; Y68-E72 VanDerWaalsContact O-N 3.14Å |
| 69 | L | 64.8 | Low | 71.1 | Confident | 109 Ų | 109 | 117.9 Ų | 117.9 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.9 | -41.9 | 176.5 | -96 | 165.3 | 0 | 0 | 0 | 112.2 | P65 E71 E72 E73 | P65-L69 WeakPolarHBondContact O-CB 3.47Å; P65-L69 PolarHBondContact O-N 2.93Å; L69-E71 PolarHBondContact O-N 2.93Å; L69-E72 PolarHBondContact O-N 2.95Å; L69-E73 WeakPolarHBondContact O-CB 3.32Å; L69-E73 PolarHBondContact O-N 2.86Å |
| 70 | K | 66.3 | Low | 72.4 | Confident | 149 Ų | 149 | 116.8 Ų | 116.8 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67 | -37.4 | -177.7 | -165.3 | 173.7 | -174.7 | 178.5 | 0 | 112.2 | Q66 Y68 E74 | Q66-K70 VanDerWaalsContact O-CB 3.28Å; Q66-K70 WeakPolarHBondContact O-CB 3.48Å; Q66-K70 PolarHBondContact O-N 3.4Å; Y68-K70 VanDerWaalsContact C-N 3.34Å; Y68-K70 PolarHBondContact O-N 3.06Å; K70-E74 WeakPolarHBondContact O-CB 3.3Å; K70-E74 PolarHBondContact O-N 3.14Å; K70-E74 VanDerWaalsContact O-N 3.08Å |
| 71 | E | 73.4 | Confident | 74.1 | Confident | 95 Ų | 95 | 117.1 Ų | 117.1 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.4 | -36.3 | 176.6 | -159 | -169.1 | 149.9 | 0 | 0 | 112.1 | V67 Y68 L69 K75 | V67-E71 PolarHBondContact O-N 3.45Å; Y68-E71 PolarHBondContact O-N 3.09Å; L69-E71 PolarHBondContact O-N 2.93Å; E71-K75 WeakPolarHBondContact O-CB 3.28Å; E71-K75 VanDerWaalsContact O-CG 3.3Å; E71-K75 WeakPolarHBondContact O-CG 3.47Å; E71-K75 PolarHBondContact O-N 3.19Å; E71-K75 VanDerWaalsContact O-N 3.07Å; E71-K75 WeakPolarHBondContact OE1-CE 3.49Å; E71-K75 IonicContact OE1-NZ 3.3Å; E71-K75 PolarHBondContact OE1-NZ 2.83Å |
| 72 | E | 76.1 | Confident | 75.8 | Confident | 110 Ų | 110 | 117.5 Ų | 117.5 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.8 | -39.8 | 177.1 | -162.5 | 174.6 | -165.6 | 0 | 0 | 111.9 | Y68 L69 K75 N76 | Y68-E72 PolarHBondContact O-N 3.23Å; Y68-E72 VanDerWaalsContact O-N 3.14Å; L69-E72 PolarHBondContact O-N 2.95Å; E72-K75 PolarHBondContact O-N 3.44Å; E72-N76 WeakPolarHBondContact O-CB 3.25Å; E72-N76 PolarHBondContact O-N 3.16Å |
| 73 | E | 80.8 | Confident | 77.6 | Confident | 135 Ų | 135 | 114.8 Ų | 114.8 | 63% | 0.631 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 174.6 | -169.8 | 174.4 | -166.7 | 0 | 0 | 111.6 | L69 K75 N76 E77 | L69-E73 WeakPolarHBondContact O-CB 3.32Å; L69-E73 PolarHBondContact O-N 2.86Å; E73-K75 VanDerWaalsContact C-N 3.35Å; E73-K75 PolarHBondContact O-N 2.89Å; E73-N76 WeakPolarHBondContact O-CB 3.08Å; E73-N76 PolarHBondContact O-N 3Å; E73-E77 PolarHBondContact O-N 3.25Å |
| 74 | E | 86.2 | Confident | 79.6 | Confident | 93 Ų | 93 | 114.6 Ų | 114.6 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.3 | -167.5 | -170.9 | 158.1 | 0 | 0 | 111.8 | K70 E77 K78 | K70-E74 WeakPolarHBondContact O-CB 3.3Å; K70-E74 PolarHBondContact O-N 3.14Å; K70-E74 VanDerWaalsContact O-N 3.08Å; E74-E77 PolarHBondContact O-N 3.21Å; E74-K78 HydrophobicContact CG-CD 4.48Å; E74-K78 WeakPolarHBondContact O-CB 3.43Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.23Å; E74-K78 PolarHBondContact O-N 3.43Å; E74-K78 WeakPolarHBondContact OE1-CE 3.27Å; E74-K78 IonicContact OE1-NZ 3.89Å; E74-K78 PolarHBondContact OE1-NZ 3.42Å |
| 75 | K | 89.1 | Confident | 81.7 | Confident | 110 Ų | 110 | 116.9 Ų | 116.9 | 48% | 0.478 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 175.1 | -79.8 | 169.1 | 173.2 | 163.6 | 0 | 111.9 | E71 E72 E73 R79 | E71-K75 WeakPolarHBondContact O-CB 3.28Å; E71-K75 VanDerWaalsContact O-CG 3.3Å; E71-K75 WeakPolarHBondContact O-CG 3.47Å; E71-K75 PolarHBondContact O-N 3.19Å; E71-K75 VanDerWaalsContact O-N 3.07Å; E71-K75 WeakPolarHBondContact OE1-CE 3.49Å; E71-K75 IonicContact OE1-NZ 3.3Å; E71-K75 PolarHBondContact OE1-NZ 2.83Å; E72-K75 PolarHBondContact O-N 3.44Å; E73-K75 VanDerWaalsContact C-N 3.35Å; E73-K75 PolarHBondContact O-N 2.89Å; K75-R79 VanDerWaalsContact O-CG 3.31Å; K75-R79 WeakPolarHBondContact O-CG 3.43Å; K75-R79 PolarHBondContact O-N 2.86Å; K75-R79 VanDerWaalsContact O-N 3.08Å |
| 76 | N | 90.8 | Very high | 83.5 | Confident | 80 Ų | 80 | 118.4 Ų | 118.4 | 43% | 0.428 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 172.1 | 162.9 | 9.3 | 0 | 0 | 0 | 110.5 | E72 E73 K78 R79 Q80 | E72-N76 WeakPolarHBondContact O-CB 3.25Å; E72-N76 PolarHBondContact O-N 3.16Å; E73-N76 WeakPolarHBondContact O-CB 3.08Å; E73-N76 PolarHBondContact O-N 3Å; N76-K78 VanDerWaalsContact C-N 3.31Å; N76-K78 PolarHBondContact O-N 2.94Å; N76-R79 WeakPolarHBondContact O-CA 3.39Å; N76-R79 WeakPolarHBondContact O-CB 3.39Å; N76-R79 PolarHBondContact O-N 3.44Å; N76-Q80 PolarHBondContact O-N 3.24Å; N76-Q80 WeakPolarHBondContact OD1-CG 3.35Å; N76-Q80 PolarHBondContact OD1-NE2 3.01Å |
| 77 | E | 93 | Very high | 85.4 | Confident | 91 Ų | 91 | 116.4 Ų | 116.4 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | -178.2 | -161.3 | -165.9 | 164.8 | 0 | 0 | 111.6 | E73 E74 R79 Q80 K81 | E73-E77 PolarHBondContact O-N 3.25Å; E74-E77 PolarHBondContact O-N 3.21Å; E77-R79 PolarHBondContact O-N 2.99Å; E77-Q80 PolarHBondContact O-N 3.01Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 WeakPolarHBondContact O-CG 3.32Å; E77-K81 PolarHBondContact O-N 2.91Å; E77-K81 WeakPolarHBondContact OE1-CE 3.13Å; E77-K81 IonicContact OE1-NZ 2.66Å; E77-K81 PolarHBondContact OE1-NZ 3.48Å; E77-K81 IonicContact OE2-NZ 3.59Å |
| 78 | K | 95.3 | Very high | 87.3 | Confident | 119 Ų | 119 | 118.3 Ų | 118.3 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 173.8 | -74.9 | 173.2 | -177.1 | 170 | 0 | 112.2 | E74 N76 K81 L82 | E74-K78 HydrophobicContact CG-CD 4.48Å; E74-K78 WeakPolarHBondContact O-CB 3.43Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.23Å; E74-K78 PolarHBondContact O-N 3.43Å; E74-K78 WeakPolarHBondContact OE1-CE 3.27Å; E74-K78 IonicContact OE1-NZ 3.89Å; E74-K78 PolarHBondContact OE1-NZ 3.42Å; N76-K78 VanDerWaalsContact C-N 3.31Å; N76-K78 PolarHBondContact O-N 2.94Å; K78-K81 PolarHBondContact O-N 2.77Å; K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 2.92Å |
| 79 | R | 93.6 | Very high | 89.3 | Confident | 187 Ų | 187 | 115.4 Ų | 115.4 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 175.8 | -73.2 | 174.7 | -179.9 | -153.7 | 1.3 | 111.3 | K75 N76 E77 L82 V83 | K75-R79 VanDerWaalsContact O-CG 3.31Å; K75-R79 WeakPolarHBondContact O-CG 3.43Å; K75-R79 PolarHBondContact O-N 2.86Å; K75-R79 VanDerWaalsContact O-N 3.08Å; N76-R79 WeakPolarHBondContact O-CA 3.39Å; N76-R79 WeakPolarHBondContact O-CB 3.39Å; N76-R79 PolarHBondContact O-N 3.44Å; E77-R79 PolarHBondContact O-N 2.99Å; R79-L82 PolarHBondContact O-N 3.19Å; R79-V83 WeakPolarHBondContact O-CG2 3.47Å; R79-V83 PolarHBondContact O-N 3.24Å |
| 80 | Q | 92.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 112.4 Ų | 112.4 | 38% | 0.379 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 177 | -66.8 | -173.1 | 17.7 | 0 | 0 | 112 | N76 E77 L82 V83 R84 | N76-Q80 PolarHBondContact O-N 3.24Å; N76-Q80 WeakPolarHBondContact OD1-CG 3.35Å; N76-Q80 PolarHBondContact OD1-NE2 3.01Å; E77-Q80 PolarHBondContact O-N 3.01Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.95Å; Q80-V83 PolarHBondContact O-N 3.43Å; Q80-R84 WeakPolarHBondContact O-CG 3.21Å; Q80-R84 PolarHBondContact O-N 3.25Å; Q80-R84 VanDerWaalsContact OE1-NH2 3.08Å |
| 81 | K | 96.1 | Very high | 92.2 | Very high | 114 Ų | 114 | 111.1 Ų | 111.1 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 176 | -74.5 | 175.4 | -178.8 | 168.5 | 0 | 111.5 | E77 K78 R84 K85 | E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 WeakPolarHBondContact O-CG 3.32Å; E77-K81 PolarHBondContact O-N 2.91Å; E77-K81 WeakPolarHBondContact OE1-CE 3.13Å; E77-K81 IonicContact OE1-NZ 2.66Å; E77-K81 PolarHBondContact OE1-NZ 3.48Å; E77-K81 IonicContact OE2-NZ 3.59Å; K78-K81 PolarHBondContact O-N 2.77Å; K81-R84 PolarHBondContact O-N 2.85Å; K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.3Å |
| 82 | L | 97.1 | Very high | 93.3 | Very high | 95 Ų | 95 | 108.2 Ų | 108.2 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.2 | -175.3 | 68.7 | 0 | 0 | 0 | 112.1 | K78 R79 Q80 K85 K86 | K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 2.92Å; R79-L82 PolarHBondContact O-N 3.19Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.95Å; L82-K85 PolarHBondContact O-N 2.66Å; L82-K86 WeakPolarHBondContact O-CG 3.45Å; L82-K86 PolarHBondContact O-N 2.98Å |
| 83 | V | 96.6 | Very high | 94.4 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -46.6 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | R79 Q80 K85 K86 Q87 | R79-V83 WeakPolarHBondContact O-CG2 3.47Å; R79-V83 PolarHBondContact O-N 3.24Å; Q80-V83 PolarHBondContact O-N 3.43Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 2.85Å; V83-K86 PolarHBondContact O-N 3.29Å; V83-Q87 PolarHBondContact O-N 3.36Å |
| 84 | R | 96.4 | Very high | 95.1 | Very high | 145 Ų | 145 | 108.2 Ų | 108.2 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.4 | -69.8 | -179.2 | -172.9 | 112.8 | 6.4 | 111.6 | Q80 K81 Q87 Q88 | Q80-R84 WeakPolarHBondContact O-CG 3.21Å; Q80-R84 PolarHBondContact O-N 3.25Å; Q80-R84 VanDerWaalsContact OE1-NH2 3.08Å; K81-R84 PolarHBondContact O-N 2.85Å; R84-Q87 PolarHBondContact O-N 2.72Å; R84-Q88 PolarHBondContact O-N 3.29Å |
| 85 | K | 97.8 | Very high | 95.7 | Very high | 120 Ų | 120 | 106.2 Ų | 106.2 | 52% | 0.522 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 178.2 | -168.5 | -176.6 | -176.1 | -163.9 | 0 | 112 | K81 L82 V83 Q87 Q88 E89 | K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.3Å; L82-K85 PolarHBondContact O-N 2.66Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 2.85Å; K85-Q87 VanDerWaalsContact C-N 3.28Å; K85-Q87 PolarHBondContact O-N 3.1Å; K85-Q88 PolarHBondContact O-N 2.88Å; K85-E89 WeakPolarHBondContact CE-OE1 3.23Å; K85-E89 IonicContact NZ-OE1 3.93Å; K85-E89 WeakPolarHBondContact O-CG 3.31Å; K85-E89 PolarHBondContact O-N 2.97Å |
| 86 | K | 97.4 | Very high | 96.1 | Very high | 130 Ų | 130 | 104.3 Ų | 104.3 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -39.5 | 176.6 | -75.3 | -175.9 | 175.8 | -172 | 0 | 112.3 | L82 V83 E89 A90 | L82-K86 WeakPolarHBondContact O-CG 3.45Å; L82-K86 PolarHBondContact O-N 2.98Å; V83-K86 PolarHBondContact O-N 3.29Å; K86-E89 PolarHBondContact O-N 3.35Å; K86-A90 WeakPolarHBondContact O-CB 3.48Å; K86-A90 PolarHBondContact O-N 2.68Å |
| 87 | Q | 96.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 176.9 | -173.2 | 173.3 | -2.4 | 0 | 0 | 111.7 | V83 R84 K85 A90 Q91 | V83-Q87 PolarHBondContact O-N 3.36Å; R84-Q87 PolarHBondContact O-N 2.72Å; K85-Q87 VanDerWaalsContact C-N 3.28Å; K85-Q87 PolarHBondContact O-N 3.1Å; Q87-A90 PolarHBondContact O-N 2.83Å; Q87-Q91 WeakPolarHBondContact O-CG 3.3Å; Q87-Q91 PolarHBondContact O-N 3.23Å |
| 88 | Q | 96.8 | Very high | 96.6 | Very high | 141 Ų | 141 | 108.5 Ų | 108.5 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 176 | -171.4 | 176.8 | 4 | 0 | 0 | 111.9 | R84 K85 Q91 G92 | R84-Q88 PolarHBondContact O-N 3.29Å; K85-Q88 PolarHBondContact O-N 2.88Å; Q88-Q91 PolarHBondContact O-N 3.38Å; Q88-G92 PolarHBondContact O-N 3.43Å |
| 89 | E | 97.5 | Very high | 96.7 | Very high | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.5 | -74.4 | 170.5 | -176.6 | 0 | 0 | 111.2 | K85 K86 Q91 G92 E93 | K85-E89 WeakPolarHBondContact CE-OE1 3.23Å; K85-E89 IonicContact NZ-OE1 3.93Å; K85-E89 WeakPolarHBondContact O-CG 3.31Å; K85-E89 PolarHBondContact O-N 2.97Å; K86-E89 PolarHBondContact O-N 3.35Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.8Å; E89-G92 PolarHBondContact O-N 2.93Å; E89-E93 WeakPolarHBondContact O-CB 3.23Å; E89-E93 PolarHBondContact O-N 2.96Å |
| 90 | A | 96.9 | Very high | 96.9 | Very high | 46 Ų | 46 | 103.3 Ų | 103.3 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K86 Q87 K94 | K86-A90 WeakPolarHBondContact O-CB 3.48Å; K86-A90 PolarHBondContact O-N 2.68Å; Q87-A90 PolarHBondContact O-N 2.83Å; A90-K94 WeakPolarHBondContact O-CG 3.49Å; A90-K94 PolarHBondContact O-N 2.94Å |
| 91 | Q | 95.8 | Very high | 97.1 | Very high | 123 Ų | 123 | 104.6 Ų | 104.6 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.7 | -41.8 | 173.4 | -73.9 | -173.8 | -15.7 | 0 | 0 | 112 | Q87 Q88 E89 E93 K94 A95 | Q87-Q91 WeakPolarHBondContact O-CG 3.3Å; Q87-Q91 PolarHBondContact O-N 3.23Å; Q88-Q91 PolarHBondContact O-N 3.38Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.8Å; Q91-E93 VanDerWaalsContact C-N 3.33Å; Q91-E93 PolarHBondContact O-N 2.85Å; Q91-K94 WeakPolarHBondContact O-CB 3.44Å; Q91-K94 PolarHBondContact O-N 3Å; Q91-A95 PolarHBondContact O-N 3.02Å |
| 92 | G | 97.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 102.4 Ų | 102.4 | 34% | 0.34 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q88 E89 K94 A95 S96 | Q88-G92 PolarHBondContact O-N 3.43Å; E89-G92 PolarHBondContact O-N 2.93Å; G92-K94 VanDerWaalsContact C-N 3.34Å; G92-K94 PolarHBondContact O-N 3.01Å; G92-A95 PolarHBondContact O-N 2.84Å; G92-S96 WeakPolarHBondContact O-CB 3.4Å; G92-S96 PolarHBondContact O-N 2.88Å; G92-S96 PolarHBondContact O-OG 2.93Å; G92-S96 VanDerWaalsContact O-OG 3.1Å |
| 93 | E | 97.5 | Very high | 97 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.2 | -161.6 | -161.1 | 139.6 | 0 | 0 | 112.1 | E89 Q91 S96 R97 | E89-E93 WeakPolarHBondContact O-CB 3.23Å; E89-E93 PolarHBondContact O-N 2.96Å; Q91-E93 VanDerWaalsContact C-N 3.33Å; Q91-E93 PolarHBondContact O-N 2.85Å; E93-S96 PolarHBondContact O-N 3.42Å; E93-R97 WeakPolarHBondContact O-CB 3.38Å; E93-R97 PolarHBondContact O-N 3.35Å; E93-R97 IonicContact OE1-CZ 3.92Å; E93-R97 VanDerWaalsContact OE1-CZ 3.3Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.81Å; E93-R97 IonicContact OE1-NH2 3.74Å; E93-R97 PolarHBondContact OE1-NH2 3.29Å; E93-R97 IonicContact OE2-NH2 2.65Å |
| 94 | K | 97.1 | Very high | 97.1 | Very high | 142 Ų | 142 | 102.1 Ų | 102.1 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -43.7 | 173.7 | -73 | 174.9 | -178.6 | -175.2 | 0 | 111.7 | A90 Q91 G92 R97 Y98 | A90-K94 WeakPolarHBondContact O-CG 3.49Å; A90-K94 PolarHBondContact O-N 2.94Å; Q91-K94 WeakPolarHBondContact O-CB 3.44Å; Q91-K94 PolarHBondContact O-N 3Å; G92-K94 VanDerWaalsContact C-N 3.34Å; G92-K94 PolarHBondContact O-N 3.01Å; K94-R97 PolarHBondContact O-N 2.94Å; K94-Y98 PolarHBondContact O-N 3.41Å |
| 95 | A | 97.6 | Very high | 97.1 | Very high | 51 Ų | 51 | 97.9 Ų | 97.9 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q91 G92 R97 Y98 I99 | Q91-A95 PolarHBondContact O-N 3.02Å; G92-A95 PolarHBondContact O-N 2.84Å; A95-R97 PolarHBondContact O-N 3.34Å; A95-Y98 WeakPolarHBondContact O-CB 3.46Å; A95-Y98 PolarHBondContact O-N 2.94Å; A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.32Å; A95-I99 PolarHBondContact O-N 2.94Å |
| 96 | S | 97.8 | Very high | 97.1 | Very high | 70 Ų | 70 | 96.9 Ų | 96.9 | 49% | 0.49 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | G92 E93 Y98 I99 E100 | G92-S96 WeakPolarHBondContact O-CB 3.4Å; G92-S96 PolarHBondContact O-N 2.88Å; G92-S96 PolarHBondContact O-OG 2.93Å; G92-S96 VanDerWaalsContact O-OG 3.1Å; E93-S96 PolarHBondContact O-N 3.42Å; S96-Y98 VanDerWaalsContact C-N 3.29Å; S96-Y98 PolarHBondContact O-N 3.36Å; S96-I99 PolarHBondContact O-N 3.05Å; S96-E100 WeakPolarHBondContact O-CB 3.29Å; S96-E100 PolarHBondContact O-N 2.84Å |
| 97 | R | 98.1 | Very high | 97 | Very high | 127 Ų | 127 | 96.7 Ų | 96.7 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 174.6 | -88.4 | -169.1 | -96.1 | 168.6 | -10 | 112.4 | E93 K94 A95 N101 | E93-R97 WeakPolarHBondContact O-CB 3.38Å; E93-R97 PolarHBondContact O-N 3.35Å; E93-R97 IonicContact OE1-CZ 3.92Å; E93-R97 VanDerWaalsContact OE1-CZ 3.3Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.81Å; E93-R97 IonicContact OE1-NH2 3.74Å; E93-R97 PolarHBondContact OE1-NH2 3.29Å; E93-R97 IonicContact OE2-NH2 2.65Å; K94-R97 PolarHBondContact O-N 2.94Å; A95-R97 PolarHBondContact O-N 3.34Å; R97-N101 VanDerWaalsContact O-CB 3.23Å; R97-N101 WeakPolarHBondContact O-CB 3.5Å; R97-N101 PolarHBondContact O-N 3.13Å |
| 98 | Y | 97.3 | Very high | 97 | Very high | 132 Ų | 132 | 96.5 Ų | 96.5 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 177.2 | -180 | -100.1 | 0 | 0 | 0 | 111.9 | K94 A95 S96 E100 V102 L103 | K94-Y98 PolarHBondContact O-N 3.41Å; A95-Y98 WeakPolarHBondContact O-CB 3.46Å; A95-Y98 PolarHBondContact O-N 2.94Å; S96-Y98 VanDerWaalsContact C-N 3.29Å; S96-Y98 PolarHBondContact O-N 3.36Å; Y98-E100 VanDerWaalsContact C-N 3.3Å; Y98-E100 PolarHBondContact O-N 3.35Å; Y98-V102 HydrophobicContact CD2-CB 3.88Å; Y98-V102 HydrophobicContact CD2-CG1 4.39Å; Y98-V102 HydrophobicContact CD2-CG2 3.64Å; Y98-V102 HydrophobicContact CE2-CB 3.73Å; Y98-V102 HydrophobicContact CE2-CG1 3.72Å; Y98-V102 HydrophobicContact CE2-CG2 3.77Å; Y98-V102 HydrophobicContact CG-CB 4.46Å; Y98-V102 HydrophobicContact CG-CG2 4.48Å; Y98-V102 WeakPolarHBondContact O-CA 3.4Å; Y98-V102 VanDerWaalsContact O-CB 3.28Å; Y98-V102 WeakPolarHBondContact O-CB 3.43Å; Y98-V102 PolarHBondContact O-N 2.9Å; Y98-L103 HydrophobicContact CD1-CD1 4.12Å; Y98-L103 HydrophobicContact CD1-CG 4.04Å; Y98-L103 HydrophobicContact CE1-CD1 3.91Å; Y98-L103 HydrophobicContact CE1-CD2 3.73Å; Y98-L103 HydrophobicContact CE1-CG 3.67Å; Y98-L103 PolarHBondContact O-N 2.73Å |
| 99 | I | 97.2 | Very high | 97 | Very high | 83 Ų | 83 | 94.5 Ų | 94.5 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | I | π-helix | trans | -59 | -45.7 | 176.5 | -67.2 | 162.7 | 0 | 0 | 0 | 110.2 | A95 S96 L103 K104 | A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.32Å; A95-I99 PolarHBondContact O-N 2.94Å; S96-I99 PolarHBondContact O-N 3.05Å; I99-L103 HydrophobicContact CG1-CD1 4.09Å; I99-L103 PolarHBondContact O-N 3.42Å; I99-K104 PolarHBondContact O-N 2.78Å |
| 100 | E | 96.8 | Very high | 97 | Very high | 113 Ų | 113 | 95.5 Ų | 95.5 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -75.2 | -42 | -176 | -171.7 | 163.8 | -146.6 | 0 | 0 | 113.7 | S96 Y98 P105 | S96-E100 WeakPolarHBondContact O-CB 3.29Å; S96-E100 PolarHBondContact O-N 2.84Å; Y98-E100 VanDerWaalsContact C-N 3.3Å; Y98-E100 PolarHBondContact O-N 3.35Å; E100-P105 VanDerWaalsContact O-CD 3.23Å; E100-P105 WeakPolarHBondContact O-CD 3.47Å |
| 101 | N | 96.8 | Very high | 97 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | I | π-helix | trans | -92 | -18.8 | -173.6 | -64 | -20 | 0 | 0 | 0 | 113.9 | R97 | R97-N101 VanDerWaalsContact O-CB 3.23Å; R97-N101 WeakPolarHBondContact O-CB 3.5Å; R97-N101 PolarHBondContact O-N 3.13Å |
| 102 | V | 96 | Very high | 96.9 | Very high | 68 Ų | 68 | 100.4 Ų | 100.4 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -118.7 | -54.6 | -175.5 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | Y98 H106 | Y98-V102 HydrophobicContact CD2-CB 3.88Å; Y98-V102 HydrophobicContact CD2-CG1 4.39Å; Y98-V102 HydrophobicContact CD2-CG2 3.64Å; Y98-V102 HydrophobicContact CE2-CB 3.73Å; Y98-V102 HydrophobicContact CE2-CG1 3.72Å; Y98-V102 HydrophobicContact CE2-CG2 3.77Å; Y98-V102 HydrophobicContact CG-CB 4.46Å; Y98-V102 HydrophobicContact CG-CG2 4.48Å; Y98-V102 WeakPolarHBondContact O-CA 3.4Å; Y98-V102 VanDerWaalsContact O-CB 3.28Å; Y98-V102 WeakPolarHBondContact O-CB 3.43Å; Y98-V102 PolarHBondContact O-N 2.9Å; V102-H106 VanDerWaalsContact O-CB 3.23Å; V102-H106 WeakPolarHBondContact O-CB 3.29Å; V102-H106 PolarHBondContact O-N 2.97Å |
| 103 | L | 96.2 | Very high | 96.9 | Very high | 79 Ų | 79 | 104.3 Ų | 104.3 | 41% | 0.414 | 50% | 0.499 | S | S | . | . | I | π-helix | trans | -73 | -49 | -172.9 | -61.1 | -177.4 | 0 | 0 | 0 | 112.5 | Y98 I99 H106 Q107 | Y98-L103 HydrophobicContact CD1-CD1 4.12Å; Y98-L103 HydrophobicContact CD1-CG 4.04Å; Y98-L103 HydrophobicContact CE1-CD1 3.91Å; Y98-L103 HydrophobicContact CE1-CD2 3.73Å; Y98-L103 HydrophobicContact CE1-CG 3.67Å; Y98-L103 PolarHBondContact O-N 2.73Å; I99-L103 HydrophobicContact CG1-CD1 4.09Å; I99-L103 PolarHBondContact O-N 3.42Å; L103-H106 PolarHBondContact O-N 2.85Å; L103-Q107 PolarHBondContact O-N 3.46Å |
| 104 | K | 97.3 | Very high | 96.8 | Very high | 102 Ų | 102 | 105 Ų | 105 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -51.1 | 179 | -74.4 | -175.7 | -176.2 | 177.1 | 0 | 112.5 | I99 H106 Q107 E108 | I99-K104 PolarHBondContact O-N 2.78Å; K104-H106 VanDerWaalsContact C-N 3.27Å; K104-H106 PolarHBondContact O-N 2.9Å; K104-Q107 PolarHBondContact O-N 2.93Å; K104-Q107 VanDerWaalsContact O-N 3.1Å; K104-E108 WeakPolarHBondContact O-CG 3.32Å; K104-E108 PolarHBondContact O-N 2.84Å |
| 105 | P | 98.4 | Very high | 96.7 | Very high | 56 Ų | 56 | 102.7 Ų | 102.7 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -34.4 | -178.7 | -24.5 | 37.4 | 0 | 0 | 0 | 112.2 | E100 M109 | E100-P105 VanDerWaalsContact O-CD 3.23Å; E100-P105 WeakPolarHBondContact O-CD 3.47Å; P105-M109 WeakPolarHBondContact O-CB 3.49Å; P105-M109 PolarHBondContact O-N 3.48Å |
| 106 | H | 96.4 | Very high | 96.5 | Very high | 99 Ų | 99 | 104.2 Ų | 104.2 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 175.8 | -174.8 | -107.8 | 0 | 0 | 0 | 112 | V102 L103 K104 K110 | V102-H106 VanDerWaalsContact O-CB 3.23Å; V102-H106 WeakPolarHBondContact O-CB 3.29Å; V102-H106 PolarHBondContact O-N 2.97Å; L103-H106 PolarHBondContact O-N 2.85Å; K104-H106 VanDerWaalsContact C-N 3.27Å; K104-H106 PolarHBondContact O-N 2.9Å; H106-K110 WeakPolarHBondContact CE1-CE 3.48Å; H106-K110 WeakPolarHBondContact O-CG 3.34Å; H106-K110 PolarHBondContact O-N 3.09Å; H106-K110 VanDerWaalsContact O-N 3.1Å |
| 107 | Q | 96.1 | Very high | 96.4 | Very high | 126 Ų | 126 | 109 Ų | 109 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.2 | -44.6 | 174.4 | -174.9 | 175.4 | -25.2 | 0 | 0 | 111.9 | L103 K104 M109 K110 L111 | L103-Q107 PolarHBondContact O-N 3.46Å; K104-Q107 PolarHBondContact O-N 2.93Å; K104-Q107 VanDerWaalsContact O-N 3.1Å; Q107-M109 PolarHBondContact O-N 3.17Å; Q107-K110 WeakPolarHBondContact O-CB 3.46Å; Q107-K110 PolarHBondContact O-N 3.11Å; Q107-L111 PolarHBondContact O-N 3.1Å |
| 108 | E | 96.5 | Very high | 96.2 | Very high | 114 Ų | 114 | 108.4 Ų | 108.4 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.8 | -72.9 | 176.4 | -167.8 | 0 | 0 | 111.9 | K104 K110 L111 R112 | K104-E108 WeakPolarHBondContact O-CG 3.32Å; K104-E108 PolarHBondContact O-N 2.84Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å; E108-L111 PolarHBondContact O-N 3.48Å; E108-R112 WeakPolarHBondContact O-CB 3.36Å; E108-R112 PolarHBondContact O-N 2.94Å |
| 109 | M | 96.4 | Very high | 96.1 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 49% | 0.493 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 175.1 | -175.6 | -165.9 | -64.4 | 0 | 0 | 111.5 | P105 Q107 R112 K113 | P105-M109 WeakPolarHBondContact O-CB 3.49Å; P105-M109 PolarHBondContact O-N 3.48Å; Q107-M109 PolarHBondContact O-N 3.17Å; M109-R112 PolarHBondContact O-N 3.21Å; M109-K113 HydrophobicContact CG-CD 4.4Å; M109-K113 WeakPolarHBondContact O-CB 3.41Å; M109-K113 WeakPolarHBondContact O-CG 3.44Å; M109-K113 PolarHBondContact O-N 3.43Å |
| 110 | K | 96.8 | Very high | 95.8 | Very high | 129 Ų | 129 | 106.1 Ų | 106.1 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 175.7 | -78.3 | 179.5 | 172.9 | -177.4 | 0 | 111.6 | H106 Q107 E108 K113 L114 | H106-K110 WeakPolarHBondContact CE1-CE 3.48Å; H106-K110 WeakPolarHBondContact O-CG 3.34Å; H106-K110 PolarHBondContact O-N 3.09Å; H106-K110 VanDerWaalsContact O-N 3.1Å; Q107-K110 WeakPolarHBondContact O-CB 3.46Å; Q107-K110 PolarHBondContact O-N 3.11Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å; K110-K113 PolarHBondContact O-N 3.37Å; K110-L114 PolarHBondContact O-N 3.46Å; K110-L114 VanDerWaalsContact O-N 3.08Å |
| 111 | L | 96.8 | Very high | 95.6 | Very high | 105 Ų | 105 | 108.3 Ų | 108.3 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 176.7 | -71.8 | 172.6 | 0 | 0 | 0 | 111.4 | Q107 E108 K113 L114 E115 | Q107-L111 PolarHBondContact O-N 3.1Å; E108-L111 PolarHBondContact O-N 3.48Å; L111-K113 PolarHBondContact O-N 3.24Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 2.99Å; L111-L114 VanDerWaalsContact O-N 3.13Å; L111-E115 WeakPolarHBondContact O-CB 3.41Å; L111-E115 PolarHBondContact O-N 3.47Å |
| 112 | R | 94.8 | Very high | 95.4 | Very high | 167 Ų | 167 | 106.7 Ų | 106.7 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 175.2 | -79.8 | -160.6 | -178 | -169.1 | 3 | 112.7 | E108 M109 L114 E115 E116 | E108-R112 WeakPolarHBondContact O-CB 3.36Å; E108-R112 PolarHBondContact O-N 2.94Å; M109-R112 PolarHBondContact O-N 3.21Å; R112-L114 VanDerWaalsContact C-N 3.26Å; R112-L114 PolarHBondContact O-N 3.24Å; R112-E115 WeakPolarHBondContact O-CB 3.39Å; R112-E115 PolarHBondContact O-N 3.29Å; R112-E116 WeakPolarHBondContact O-CB 3.14Å; R112-E116 VanDerWaalsContact O-CG 3.3Å; R112-E116 WeakPolarHBondContact O-CG 3.04Å; R112-E116 PolarHBondContact O-N 2.87Å |
| 113 | K | 96.8 | Very high | 95 | Very high | 115 Ų | 115 | 106.3 Ų | 106.3 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 175.8 | -77.6 | 178 | 179 | 177.4 | 0 | 112.2 | M109 K110 L111 R117 | M109-K113 HydrophobicContact CG-CD 4.4Å; M109-K113 WeakPolarHBondContact O-CB 3.41Å; M109-K113 WeakPolarHBondContact O-CG 3.44Å; M109-K113 PolarHBondContact O-N 3.43Å; K110-K113 PolarHBondContact O-N 3.37Å; L111-K113 PolarHBondContact O-N 3.24Å; K113-R117 WeakPolarHBondContact O-CG 3.37Å; K113-R117 PolarHBondContact O-N 3.07Å |
| 114 | L | 96.5 | Very high | 94.6 | Very high | 119 Ų | 119 | 105.5 Ų | 105.5 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.9 | -43.4 | 176.6 | -173 | 65.8 | 0 | 0 | 0 | 111 | K110 L111 R112 R117 F118 | K110-L114 PolarHBondContact O-N 3.46Å; K110-L114 VanDerWaalsContact O-N 3.08Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 2.99Å; L111-L114 VanDerWaalsContact O-N 3.13Å; R112-L114 VanDerWaalsContact C-N 3.26Å; R112-L114 PolarHBondContact O-N 3.24Å; L114-R117 PolarHBondContact O-N 3Å; L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 2.81Å |
| 115 | E | 93.4 | Very high | 94 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.7 | -179.1 | 175.1 | -158.8 | 0 | 0 | 111.9 | L111 R112 R117 F118 Y119 | L111-E115 WeakPolarHBondContact O-CB 3.41Å; L111-E115 PolarHBondContact O-N 3.47Å; R112-E115 WeakPolarHBondContact O-CB 3.39Å; R112-E115 PolarHBondContact O-N 3.29Å; E115-R117 PolarHBondContact O-N 3.18Å; E115-F118 WeakPolarHBondContact O-CB 3.5Å; E115-F118 PolarHBondContact O-N 3.22Å; E115-F118 VanDerWaalsContact O-N 3.16Å; E115-Y119 HydrophobicContact CG-CD2 3.67Å; E115-Y119 HydrophobicContact CG-CE2 3.33Å; E115-Y119 WeakPolarHBondContact O-CD2 3.42Å; E115-Y119 PolarHBondContact O-N 3.01Å; E115-Y119 WeakPolarHBondContact OE1-CE2 3.49Å |
| 116 | E | 94 | Very high | 93.1 | Very high | 83 Ų | 83 | 109 Ų | 109 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 173.4 | -77 | 170.3 | -167.2 | 0 | 0 | 111.7 | R112 F118 Y119 Q120 L128 | R112-E116 WeakPolarHBondContact O-CB 3.14Å; R112-E116 VanDerWaalsContact O-CG 3.3Å; R112-E116 WeakPolarHBondContact O-CG 3.04Å; R112-E116 PolarHBondContact O-N 2.87Å; E116-F118 VanDerWaalsContact C-N 3.33Å; E116-F118 PolarHBondContact O-N 3.49Å; E116-Y119 PolarHBondContact O-N 3.4Å; E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 WeakPolarHBondContact O-CG 3.49Å; E116-Q120 PolarHBondContact O-N 2.83Å; E116-L128 HydrophobicContact CB-CD1 4.29Å; E116-L128 HydrophobicContact CB-CD2 4.37Å; E116-L128 HydrophobicContact CG-CD1 4.25Å; E116-L128 HydrophobicContact CG-CD2 3.89Å |
| 117 | R | 95 | Very high | 92.5 | Very high | 171 Ų | 171 | 108.4 Ų | 108.4 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 175.9 | -77.3 | -175.2 | -176.4 | -168.7 | 1 | 112.4 | K113 L114 E115 Q120 M121 | K113-R117 WeakPolarHBondContact O-CG 3.37Å; K113-R117 PolarHBondContact O-N 3.07Å; L114-R117 PolarHBondContact O-N 3Å; E115-R117 PolarHBondContact O-N 3.18Å; R117-Q120 PolarHBondContact O-N 2.95Å; R117-M121 HydrophobicContact CB-CE 4.5Å; R117-M121 WeakPolarHBondContact O-CB 3.37Å; R117-M121 WeakPolarHBondContact O-CG 3.42Å; R117-M121 PolarHBondContact O-N 2.7Å |
| 118 | F | 95.7 | Very high | 91.9 | Very high | 113 Ų | 113 | 105.5 Ų | 105.5 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -54.3 | 176.9 | 175.7 | -95.9 | 0 | 0 | 0 | 110.4 | L114 E115 E116 Q120 M121 T122 | L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 2.81Å; E115-F118 WeakPolarHBondContact O-CB 3.5Å; E115-F118 PolarHBondContact O-N 3.22Å; E115-F118 VanDerWaalsContact O-N 3.16Å; E116-F118 VanDerWaalsContact C-N 3.33Å; E116-F118 PolarHBondContact O-N 3.49Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 2.86Å; F118-M121 PolarHBondContact O-N 3.32Å; F118-M121 VanDerWaalsContact O-N 3.14Å; F118-T122 HydrophobicContact CE2-CG2 4.47Å; F118-T122 HydrophobicContact CZ-CG2 4.2Å; F118-T122 PolarHBondContact O-N 3.36Å; F118-T122 PolarHBondContact O-OG1 3.39Å |
| 119 | Y | 93.3 | Very high | 91.2 | Very high | 49 Ų | 49 | 103.7 Ų | 103.7 | 19% | 0.192 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -67.4 | -30.9 | -179.6 | -69.1 | -58.4 | 0 | 0 | 0 | 113.8 | E115 E116 T122 G123 E124 A125 K127 L128 | E115-Y119 HydrophobicContact CG-CD2 3.67Å; E115-Y119 HydrophobicContact CG-CE2 3.33Å; E115-Y119 WeakPolarHBondContact O-CD2 3.42Å; E115-Y119 PolarHBondContact O-N 3.01Å; E115-Y119 WeakPolarHBondContact OE1-CE2 3.49Å; E116-Y119 PolarHBondContact O-N 3.4Å; Y119-T122 WeakPolarHBondContact CA-OG1 3.12Å; Y119-G123 PolarHBondContact O-N 3.42Å; Y119-E124 HydrophobicContact CD1-CB 4.05Å; Y119-E124 PolarHBondContact O-N 3.39Å; Y119-A125 PolarHBondContact O-N 2.97Å; Y119-K127 HydrophobicContact CD1-CB 4.44Å; Y119-K127 HydrophobicContact CD1-CD 4.06Å; Y119-K127 HydrophobicContact CE1-CB 4.49Å; Y119-K127 HydrophobicContact CE1-CD 3.7Å; Y119-L128 HydrophobicContact CD2-CD2 3.61Å; Y119-L128 HydrophobicContact CD2-CG 4.42Å; Y119-L128 HydrophobicContact CE2-CD2 4.49Å; Y119-L128 HydrophobicContact CG-CD2 4.25Å |
| 120 | Q | 91.8 | Very high | 90.1 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 170.9 | -75.7 | 172.1 | 20.6 | 0 | 0 | 111.7 | E116 R117 F118 G123 L128 | E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 WeakPolarHBondContact O-CG 3.49Å; E116-Q120 PolarHBondContact O-N 2.83Å; R117-Q120 PolarHBondContact O-N 2.95Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 2.86Å; Q120-G123 PolarHBondContact O-N 3.28Å; Q120-L128 HydrophobicContact CG-CD1 4.17Å |
| 121 | M | 92.2 | Very high | 89.1 | Confident | 159 Ų | 159 | 101.5 Ų | 101.5 | 78% | 0.783 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.5 | -36.9 | 178.4 | -79.1 | -170.4 | -73.3 | 0 | 0 | 113.2 | R117 F118 G123 | R117-M121 HydrophobicContact CB-CE 4.5Å; R117-M121 WeakPolarHBondContact O-CB 3.37Å; R117-M121 WeakPolarHBondContact O-CG 3.42Å; R117-M121 PolarHBondContact O-N 2.7Å; F118-M121 PolarHBondContact O-N 3.32Å; F118-M121 VanDerWaalsContact O-N 3.14Å; M121-G123 PolarHBondContact O-N 3.22Å |
| 122 | T | 93 | Very high | 87.6 | Confident | 74 Ų | 74 | 104.4 Ų | 104.4 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.7 | 176.2 | 35.5 | 0 | 0 | 0 | 0 | 113.9 | F118 Y119 E124 | F118-T122 HydrophobicContact CE2-CG2 4.47Å; F118-T122 HydrophobicContact CZ-CG2 4.2Å; F118-T122 PolarHBondContact O-N 3.36Å; F118-T122 PolarHBondContact O-OG1 3.39Å; Y119-T122 WeakPolarHBondContact CA-OG1 3.12Å; T122-E124 PolarHBondContact O-N 2.95Å |
| 123 | G | 86.8 | Confident | 86.6 | Confident | 59 Ų | 59 | 106 Ų | 106 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 6.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y119 Q120 M121 A125 | Y119-G123 PolarHBondContact O-N 3.42Å; Q120-G123 PolarHBondContact O-N 3.28Å; M121-G123 PolarHBondContact O-N 3.22Å; G123-A125 PolarHBondContact O-N 3.01Å |
| 124 | E | 89 | Confident | 85.3 | Confident | 62 Ų | 62 | 107.7 Ų | 107.7 | 29% | 0.29 | 56% | 0.559 | S | S | . | * | trans | -90.1 | 34.6 | 178.6 | -58.7 | -172.4 | 135 | 0 | 0 | 112.4 | Y119 T122 W126 K127 | Y119-E124 HydrophobicContact CD1-CB 4.05Å; Y119-E124 PolarHBondContact O-N 3.39Å; T122-E124 PolarHBondContact O-N 2.95Å; E124-W126 PolarHBondContact O-N 3.33Å; E124-K127 HydrophobicContact CB-CD 4.12Å; E124-K127 HydrophobicContact CB-CG 4.44Å; E124-K127 WeakPolarHBondContact O-CB 3.36Å; E124-K127 PolarHBondContact O-N 3.31Å; E124-K127 IonicContact OE1-NZ 3.22Å; E124-K127 PolarHBondContact OE1-NZ 2.99Å; E124-K127 WeakPolarHBondContact OE2-CE 3.41Å; E124-K127 IonicContact OE2-NZ 2.7Å; E124-K127 PolarHBondContact OE2-NZ 2.65Å | ||
| 125 | A | 84.6 | Confident | 83.3 | Confident | 52 Ų | 52 | 106.1 Ų | 106.1 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -59.7 | -20.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y119 G123 K127 L128 | Y119-A125 PolarHBondContact O-N 2.97Å; G123-A125 PolarHBondContact O-N 3.01Å; A125-K127 PolarHBondContact O-N 2.83Å; A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.04Å; A125-L128 VanDerWaalsContact O-N 3.11Å |
| 126 | W | 79.1 | Confident | 80.9 | Confident | 179 Ų | 179 | 105.3 Ų | 105.3 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -61.8 | -25.1 | 173.8 | 60.3 | -93.5 | 0 | 0 | 0 | 113.2 | E124 L128 S129 | E124-W126 PolarHBondContact O-N 3.33Å; W126-L128 VanDerWaalsContact C-N 3.26Å; W126-L128 PolarHBondContact O-N 2.96Å; W126-S129 PolarHBondContact O-N 2.91Å; W126-S129 PolarHBondContact O-OG 3.42Å |
| 127 | K | 84.8 | Confident | 79 | Confident | 88 Ų | 88 | 109.2 Ų | 109.2 | 38% | 0.383 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -70.8 | -18.9 | 174.9 | -66 | -178 | -176.5 | 171.3 | 0 | 113.6 | Y119 E124 A125 S129 | Y119-K127 HydrophobicContact CD1-CB 4.44Å; Y119-K127 HydrophobicContact CD1-CD 4.06Å; Y119-K127 HydrophobicContact CE1-CB 4.49Å; Y119-K127 HydrophobicContact CE1-CD 3.7Å; E124-K127 HydrophobicContact CB-CD 4.12Å; E124-K127 HydrophobicContact CB-CG 4.44Å; E124-K127 WeakPolarHBondContact O-CB 3.36Å; E124-K127 PolarHBondContact O-N 3.31Å; E124-K127 IonicContact OE1-NZ 3.22Å; E124-K127 PolarHBondContact OE1-NZ 2.99Å; E124-K127 WeakPolarHBondContact OE2-CE 3.41Å; E124-K127 IonicContact OE2-NZ 2.7Å; E124-K127 PolarHBondContact OE2-NZ 2.65Å; A125-K127 PolarHBondContact O-N 2.83Å; K127-S129 VanDerWaalsContact C-N 3.35Å |
| 128 | L | 82.8 | Confident | 76.8 | Confident | 65 Ų | 65 | 109.7 Ų | 109.7 | 34% | 0.34 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -78.5 | -23 | 175.4 | -59.3 | 178.1 | 0 | 0 | 0 | 112.4 | E116 Y119 Q120 A125 W126 | E116-L128 HydrophobicContact CB-CD1 4.29Å; E116-L128 HydrophobicContact CB-CD2 4.37Å; E116-L128 HydrophobicContact CG-CD1 4.25Å; E116-L128 HydrophobicContact CG-CD2 3.89Å; Y119-L128 HydrophobicContact CD2-CD2 3.61Å; Y119-L128 HydrophobicContact CD2-CG 4.42Å; Y119-L128 HydrophobicContact CE2-CD2 4.49Å; Y119-L128 HydrophobicContact CG-CD2 4.25Å; Q120-L128 HydrophobicContact CG-CD1 4.17Å; A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.04Å; A125-L128 VanDerWaalsContact O-N 3.11Å; W126-L128 VanDerWaalsContact C-N 3.26Å; W126-L128 PolarHBondContact O-N 2.96Å |
| 129 | S | 81.3 | Confident | 74.4 | Confident | 76 Ų | 76 | 107.7 Ų | 107.7 | 53% | 0.531 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -74.3 | 130.9 | 176.2 | 74 | 0 | 0 | 0 | 0 | 109.6 | W126 K127 G131 | W126-S129 PolarHBondContact O-N 2.91Å; W126-S129 PolarHBondContact O-OG 3.42Å; K127-S129 VanDerWaalsContact C-N 3.35Å; S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 3.45Å |
| 130 | S | 74.3 | Confident | 72.1 | Confident | 120 Ų | 120 | 112 Ų | 112 | 84% | 0.839 | 67% | 0.665 | S | S | * | * | trans | -66.4 | 96.7 | 168.1 | 59.1 | 0 | 0 | 0 | 0 | 107.4 | H132 | S130-H132 PolarHBondContact O-N 3.3Š| ||
| 131 | G | 75.8 | Confident | 69.6 | Low | 62 Ų | 62 | 111.3 Ų | 111.3 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | trans | -53.3 | 135 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S129 K133 | S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 3.45Å; G131-K133 PolarHBondContact O-N 2.9Å | ||
| 132 | H | 65.8 | Low | 67.6 | Low | 167 Ų | 167 | 113.1 Ų | 113.1 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -74.9 | 115.3 | 172.5 | -168.8 | 70.1 | 0 | 0 | 0 | 108.4 | S130 L134 | S130-H132 PolarHBondContact O-N 3.3Å; H132-L134 PolarHBondContact O-N 3Å | ||
| 133 | K | 72.3 | Confident | 64.8 | Low | 200 Ų | 200 | 114.1 Ų | 114.1 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | trans | -71 | 96.3 | 174.5 | -68.6 | -144.6 | -179.4 | -164.5 | 0 | 108.9 | G131 G135 | G131-K133 PolarHBondContact O-N 2.9Å; K133-G135 PolarHBondContact O-N 3.26Å | ||
| 134 | L | 70.3 | Confident | 62.8 | Low | 151 Ų | 151 | 116.5 Ų | 116.5 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -72.3 | 119.7 | 166.3 | -69.3 | 170.9 | 0 | 0 | 0 | 107.9 | H132 | H132-L134 PolarHBondContact O-N 3Š| ||
| 135 | G | 53.8 | Low | 60.5 | Low | 86 Ų | 86 | 122.1 Ų | 122.1 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -62.1 | 140.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K133 | K133-G135 PolarHBondContact O-N 3.26Š| ||
| 136 | G | 43.6 | Very low | 58.4 | Low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | trans | -135.9 | 97.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 137 | D | 54.8 | Low | 56.8 | Low | 164 Ų | 164 | 123.2 Ų | 123.2 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | -79.6 | 107.1 | 157.4 | -173.2 | 19.1 | 0 | 0 | 0 | 106 | ||||
| 138 | E | 48.5 | Very low | 54.8 | Low | 181 Ų | 181 | 123.9 Ų | 123.9 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 169.8 | 135.5 | 138.8 | -94.4 | -172.1 | -178.2 | 0 | 0 | 110.1 | ||||
| 139 | G | 43.9 | Very low | 53.3 | Low | 72 Ų | 72 | 126.3 Ų | 126.3 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | 87.3 | 104.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118 | S141 | G139-S141 PolarHBondContact O-N 3.27Š| ||
| 140 | T | 45 | Very low | 51.9 | Low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -17.2 | 121.8 | 154.7 | -51.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 141 | S | 40.8 | Very low | 50.5 | Low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -158.1 | 108.9 | 147.5 | -79 | 0 | 0 | 0 | 0 | 110.5 | G139 T143 | G139-S141 PolarHBondContact O-N 3.27Å; S141-T143 PolarHBondContact O-N 3.46Å; S141-T143 VanDerWaalsContact O-N 3.09Å | ||
| 142 | Q | 48.9 | Very low | 49.1 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -50.2 | 112.6 | 155.1 | -78.3 | 169.2 | -51.4 | 0 | 0 | 108.3 | ||||
| 143 | T | 35.8 | Very low | 48.3 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | trans | -134.4 | 99.2 | 157.5 | 41.2 | 0 | 0 | 0 | 0 | 107.5 | S141 F145 | S141-T143 PolarHBondContact O-N 3.46Å; S141-T143 VanDerWaalsContact O-N 3.09Å; T143-F145 WeakPolarHBondContact O-CD2 3.29Å; T143-F145 PolarHBondContact O-N 3.42Å | ||
| 144 | S | 43.6 | Very low | 47.4 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -51.5 | 100.5 | 159.4 | 44.7 | 0 | 0 | 0 | 0 | 109 | E146 | S144-E146 PolarHBondContact O-N 3.02Š| ||
| 145 | F | 41.8 | Very low | 46.5 | Very low | 180 Ų | 180 | 127 Ų | 127 | 79% | 0.789 | 74% | 0.742 | S | S | * | * | trans | -75.7 | 71.1 | 160.2 | -70.6 | -79.7 | 0 | 0 | 0 | 108.1 | T143 T147 | T143-F145 WeakPolarHBondContact O-CD2 3.29Å; T143-F145 PolarHBondContact O-N 3.42Å; F145-T147 PolarHBondContact O-N 3.37Å; F145-T147 PolarHBondContact O-OG1 2.88Å | ||
| 146 | E | 39.9 | Very low | 46.4 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -64.7 | 101.7 | 164.4 | -169.1 | 147 | -163 | 0 | 0 | 106.7 | S144 S148 | S144-E146 PolarHBondContact O-N 3.02Å; E146-S148 PolarHBondContact O-N 3.27Å | ||
| 147 | T | 45.4 | Very low | 46.7 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 55% | 0.546 | 74% | 0.738 | S | S | . | * | trans | -72.8 | 123.1 | -166.8 | -27.4 | 0 | 0 | 0 | 0 | 109 | F145 N149 R150 | F145-T147 PolarHBondContact O-N 3.37Å; F145-T147 PolarHBondContact O-OG1 2.88Å; T147-N149 HydrophobicContact CG2-CB 4.18Å; T147-N149 VanDerWaalsContact CG2-ND2 3.3Å; T147-N149 WeakPolarHBondContact CG2-ND2 3.46Å; T147-N149 PolarHBondContact O-N 2.91Å; T147-R150 PolarHBondContact O-N 3.45Å | ||
| 148 | S | 43 | Very low | 46.4 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | -9.6 | 172.1 | 174.9 | 0 | 0 | 0 | 0 | 114.7 | E146 R150 | E146-S148 PolarHBondContact O-N 3.27Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 PolarHBondContact O-N 3.34Å |
| 149 | N | 50.2 | Low | 46.5 | Very low | 117 Ų | 117 | 130 Ų | 130 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -70.2 | -15.4 | 178.4 | -62.3 | -20.3 | 0 | 0 | 0 | 114.7 | T147 E151 | T147-N149 HydrophobicContact CG2-CB 4.18Å; T147-N149 VanDerWaalsContact CG2-ND2 3.3Å; T147-N149 WeakPolarHBondContact CG2-ND2 3.46Å; T147-N149 PolarHBondContact O-N 2.91Å; N149-E151 VanDerWaalsContact C-N 3.32Å |
| 150 | R | 53.5 | Low | 46.6 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -74.6 | -22.1 | 179 | -171.6 | 169.5 | 167.6 | 179.4 | -4.7 | 113.1 | T147 S148 | T147-R150 PolarHBondContact O-N 3.45Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 PolarHBondContact O-N 3.34Å |
| 151 | E | 44.8 | Very low | 46.3 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -92.8 | -28.6 | -177.1 | -141.8 | 145.6 | -153.4 | 0 | 0 | 112.3 | N149 A153 K154 S155 | N149-E151 VanDerWaalsContact C-N 3.32Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-K154 PolarHBondContact O-N 3.07Å; E151-S155 PolarHBondContact O-OG 3.08Å |
| 152 | A | 44.8 | Very low | 46.4 | Very low | 60 Ų | 60 | 136.9 Ų | 136.9 | 50% | 0.496 | 73% | 0.727 | S | S | . | * | H | α-helix | trans | -70.9 | -25.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K154 | A152-K154 VanDerWaalsContact C-N 3.28Å; A152-K154 PolarHBondContact O-N 2.95Å |
| 153 | A | 48.9 | Very low | 45.7 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -11.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E151 | E151-A153 VanDerWaalsContact C-N 3.33Š|
| 154 | K | 54.3 | Low | 45.9 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -11.6 | -178.8 | -156.5 | 178.6 | 179.9 | -173 | 0 | 113.4 | E151 A152 | E151-K154 PolarHBondContact O-N 3.07Å; A152-K154 VanDerWaalsContact C-N 3.28Å; A152-K154 PolarHBondContact O-N 2.95Å |
| 155 | S | 51.3 | Low | 45.5 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 57% | 0.573 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -107.9 | 0.2 | -175.4 | 55.5 | 0 | 0 | 0 | 0 | 115 | E151 N157 | E151-S155 PolarHBondContact O-OG 3.08Å; S155-N157 PolarHBondContact O-N 3.44Å; S155-N157 VanDerWaalsContact O-N 3.15Å |
| 156 | Q | 50.8 | Low | 45.4 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | trans | -82.2 | 91.6 | 163.7 | -69 | -170.3 | 10.6 | 0 | 0 | 109.4 | L158 | Q156-L158 PolarHBondContact O-N 3.08Š| ||
| 157 | N | 51 | Low | 45.7 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -54.7 | 105.7 | 159.7 | -72.2 | -72.1 | 0 | 0 | 0 | 108.3 | S155 P159 | S155-N157 PolarHBondContact O-N 3.44Å; S155-N157 VanDerWaalsContact O-N 3.15Å; N157-P159 WeakPolarHBondContact O-CD 3.31Å | ||
| 158 | L | 48.1 | Very low | 45.4 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | trans | -55.9 | 117.7 | 168.1 | -122.8 | 86.1 | 0 | 0 | 0 | 108.7 | Q156 K160 | Q156-L158 PolarHBondContact O-N 3.08Å; L158-K160 PolarHBondContact O-N 2.63Å | ||
| 159 | P | 50 | Low | 45.5 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -65.2 | 124.5 | 147.1 | -6.8 | 25.1 | 0 | 0 | 0 | 105.7 | N157 P161 | N157-P159 WeakPolarHBondContact O-CD 3.31Å; P159-P161 WeakPolarHBondContact O-CD 3.28Å | ||
| 160 | K | 47.8 | Very low | 44.9 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | -45.8 | 117.1 | 173.2 | -68.7 | 169.7 | -179.9 | 174.2 | 0 | 108.9 | L158 L162 | L158-K160 PolarHBondContact O-N 2.63Å; K160-L162 PolarHBondContact O-N 2.91Å; K160-L162 VanDerWaalsContact O-N 3.09Å | ||
| 161 | P | 38.3 | Very low | 44 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | trans | -67.9 | 110.5 | 161.4 | -8.3 | 24.8 | 0 | 0 | 0 | 105.4 | P159 T163 | P159-P161 WeakPolarHBondContact O-CD 3.28Å; P161-T163 PolarHBondContact O-N 3.33Å | ||
| 162 | L | 42.2 | Very low | 43.8 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | trans | -62.7 | 84.2 | 152.3 | -88.3 | 159.4 | 0 | 0 | 0 | 105.6 | K160 E164 | K160-L162 PolarHBondContact O-N 2.91Å; K160-L162 VanDerWaalsContact O-N 3.09Å; L162-E164 PolarHBondContact O-N 3.48Å; L162-E164 VanDerWaalsContact O-N 3.07Å | ||
| 163 | T | 35.1 | Very low | 43.2 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 48% | 0.479 | 74% | 0.742 | S | S | . | * | trans | -80 | 80.2 | 163.6 | -40.2 | 0 | 0 | 0 | 0 | 106.2 | P161 F165 | P161-T163 PolarHBondContact O-N 3.33Å; T163-F165 VanDerWaalsContact CB-CE2 3.46Å; T163-F165 HydrophobicContact CG2-CD1 3.61Å; T163-F165 HydrophobicContact CG2-CD2 3.44Å; T163-F165 VanDerWaalsContact CG2-CD2 3.44Å; T163-F165 HydrophobicContact CG2-CE1 3.44Å; T163-F165 VanDerWaalsContact CG2-CE1 3.44Å; T163-F165 HydrophobicContact CG2-CE2 3.26Å; T163-F165 HydrophobicContact CG2-CG 3.63Å; T163-F165 HydrophobicContact CG2-CZ 3.26Å; T163-F165 VanDerWaalsContact O-CD2 3.32Å; T163-F165 WeakPolarHBondContact O-CD2 3.45Å; T163-F165 PolarHBondContact O-N 3.14Å | ||
| 164 | E | 40.3 | Very low | 42.4 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -67.5 | 84.3 | 150.8 | -157.6 | 167.6 | -145.4 | 0 | 0 | 105.1 | L162 | L162-E164 PolarHBondContact O-N 3.48Å; L162-E164 VanDerWaalsContact O-N 3.07Å | ||
| 165 | F | 34.1 | Very low | 42.1 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | -59.8 | 127.1 | 165.1 | -66 | -86.8 | 0 | 0 | 0 | 105.9 | T163 S167 | T163-F165 VanDerWaalsContact CB-CE2 3.46Å; T163-F165 HydrophobicContact CG2-CD1 3.61Å; T163-F165 HydrophobicContact CG2-CD2 3.44Å; T163-F165 VanDerWaalsContact CG2-CD2 3.44Å; T163-F165 HydrophobicContact CG2-CE1 3.44Å; T163-F165 VanDerWaalsContact CG2-CE1 3.44Å; T163-F165 HydrophobicContact CG2-CE2 3.26Å; T163-F165 HydrophobicContact CG2-CG 3.63Å; T163-F165 HydrophobicContact CG2-CZ 3.26Å; T163-F165 VanDerWaalsContact O-CD2 3.32Å; T163-F165 WeakPolarHBondContact O-CD2 3.45Å; T163-F165 PolarHBondContact O-N 3.14Å; F165-S167 PolarHBondContact O-N 3.45Å | ||
| 166 | P | 39.8 | Very low | 41.8 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -54.5 | 120.8 | 155.2 | 23.2 | -28.5 | 0 | 0 | 0 | 105.4 | ||||
| 167 | S | 45.7 | Very low | 41.5 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | -34 | 130.3 | 172.8 | 135.9 | 0 | 0 | 0 | 0 | 108.6 | F165 A169 | F165-S167 PolarHBondContact O-N 3.45Å; S167-A169 PolarHBondContact O-N 3.46Å | ||
| 168 | P | 39.6 | Very low | 41.7 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | -54.8 | 117.3 | 168.3 | 20.7 | -26.8 | 0 | 0 | 0 | 105.9 | E170 | P168-E170 PolarHBondContact O-N 3.47Š| ||
| 169 | A | 44.7 | Very low | 42.3 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -39.1 | 129.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S167 Q171 | S167-A169 PolarHBondContact O-N 3.46Å; A169-Q171 PolarHBondContact O-N 3.16Å | ||
| 170 | E | 38.3 | Very low | 43.3 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | trans | -23.8 | 104.3 | 178.6 | -69.4 | 171.3 | 151.6 | 0 | 0 | 110.5 | P168 P172 | P168-E170 PolarHBondContact O-N 3.47Å; E170-P172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | Q | 35.1 | Very low | 44.4 | Very low | 165 Ų | 165 | 120.8 Ų | 120.8 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | trans | -49.8 | 125.3 | 157.6 | -73 | 178.6 | -19.8 | 0 | 0 | 104.9 | A169 T173 | A169-Q171 PolarHBondContact O-N 3.16Å; Q171-T173 PolarHBondContact O-N 3.27Å | ||
| 172 | P | 39.5 | Very low | 45.7 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | trans | -50.2 | 115.5 | 179.4 | 18.6 | -29.9 | 0 | 0 | 0 | 105.9 | E170 C174 | E170-P172 VanDerWaalsContact O-N 3.14Å; P172-C174 PolarHBondContact O-N 2.66Å | ||
| 173 | T | 33.3 | Very low | 47.3 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 76% | 0.761 | 65% | 0.652 | S | S | * | * | trans | -40 | 128.1 | -172.4 | 38 | 0 | 0 | 0 | 0 | 108.3 | Q171 K175 | Q171-T173 PolarHBondContact O-N 3.27Å; T173-K175 PolarHBondContact O-N 3.06Å | ||
| 174 | C | 31.1 | Very low | 49.1 | Very low | 119 Ų | 119 | 117 Ų | 117 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | trans | -14 | 110.6 | 161.3 | -159.3 | 0 | 0 | 0 | 0 | 109.6 | P172 E176 | P172-C174 PolarHBondContact O-N 2.66Å; C174-E176 VanDerWaalsContact C-N 3.33Å; C174-E176 PolarHBondContact O-N 3.03Å | ||
| 175 | K | 48.7 | Very low | 50.3 | Low | 190 Ų | 190 | 112.1 Ų | 112.1 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | trans | -49.1 | 103.9 | 178.9 | -62.3 | 177.1 | -178.1 | 179.8 | 0 | 106.3 | T173 I177 | T173-K175 PolarHBondContact O-N 3.06Å; K175-I177 VanDerWaalsContact C-N 3.27Å; K175-I177 PolarHBondContact O-N 3.11Å | ||
| 176 | E | 43.9 | Very low | 51.6 | Low | 179 Ų | 179 | 112.8 Ų | 112.8 | 84% | 0.836 | 63% | 0.626 | S | S | * | * | trans | -58.4 | 103.3 | 170.2 | -80.9 | -176.6 | 155.7 | 0 | 0 | 104 | C174 P178 | C174-E176 VanDerWaalsContact C-N 3.33Å; C174-E176 PolarHBondContact O-N 3.03Å; E176-P178 WeakPolarHBondContact O-CD 3.45Å | ||
| 177 | I | 44.9 | Very low | 52.5 | Low | 114 Ų | 114 | 113.2 Ų | 113.2 | 59% | 0.585 | 63% | 0.626 | S | S | * | * | trans | -72 | 111.6 | 169.2 | -62.2 | 169.9 | 0 | 0 | 0 | 102.2 | K175 D179 R223 | K175-I177 VanDerWaalsContact C-N 3.27Å; K175-I177 PolarHBondContact O-N 3.11Å; I177-D179 PolarHBondContact O-N 2.81Å; I177-D179 VanDerWaalsContact O-N 3.08Å; I177-R223 HydrophobicContact CG2-CG 4.37Å | ||
| 178 | P | 55.9 | Low | 53.5 | Low | 30 Ų | 30 | 110.8 Ų | 110.8 | 20% | 0.195 | 61% | 0.612 | C | S | . | * | trans | -60 | 123.5 | 177.4 | -19.9 | 34.3 | 0 | 0 | 0 | 107.2 | E176 L180 D219 | E176-P178 WeakPolarHBondContact O-CD 3.45Å; P178-L180 HydrophobicContact CB-CD1 4.44Å; P178-L180 VanDerWaalsContact O-CD1 3.3Å; P178-L180 WeakPolarHBondContact O-CD1 3.47Å; P178-L180 PolarHBondContact O-N 3.36Å; P178-D219 HydrophobicContact CB-CB 3.71Å; P178-D219 HydrophobicContact CG-CB 4.09Å | ||
| 179 | D | 59.1 | Low | 54.6 | Low | 151 Ų | 151 | 114.9 Ų | 114.9 | 81% | 0.807 | 62% | 0.622 | S | S | * | * | trans | -70.6 | 98.5 | 174.5 | -84.8 | -30.2 | 0 | 0 | 0 | 107.8 | I177 | I177-D179 PolarHBondContact O-N 2.81Å; I177-D179 VanDerWaalsContact O-N 3.08Å | ||
| 180 | L | 71.2 | Confident | 56.3 | Low | 19 Ų | 19 | 116 Ų | 116 | 10% | 0.099 | 61% | 0.612 | C | S | . | * | P | Polyproline II helix | trans | -65.7 | 140.5 | 178.3 | -95.3 | 77.9 | 0 | 0 | 0 | 111.1 | P178 R206 D219 W220 R223 | P178-L180 HydrophobicContact CB-CD1 4.44Å; P178-L180 VanDerWaalsContact O-CD1 3.3Å; P178-L180 WeakPolarHBondContact O-CD1 3.47Å; P178-L180 PolarHBondContact O-N 3.36Å; L180-R206 VanDerWaalsContact CD2-CZ 3.48Å; L180-D219 HydrophobicContact CD1-CB 3.95Å; L180-W220 VanDerWaalsContact CD2-CA 3.42Å; L180-W220 HydrophobicContact CD2-CB 3.46Å; L180-W220 VanDerWaalsContact CD2-CB 3.46Å; L180-W220 HydrophobicContact CD2-CG 3.72Å; L180-R223 HydrophobicContact CD1-CB 4.01Å |
| 181 | P | 71.8 | Confident | 58.6 | Low | 46 Ų | 46 | 108.7 Ų | 108.7 | 30% | 0.299 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 142.2 | 176.1 | 26 | -33.8 | 0 | 0 | 0 | 110.9 | R206 Y212 V216 | P181-R206 PolarHBondContact O-NH2 3.34Å; P181-Y212 HydrophobicContact CB-CE2 4.02Å; P181-Y212 HydrophobicContact CG-CD2 4.19Å; P181-Y212 HydrophobicContact CG-CE2 3.59Å; P181-V216 HydrophobicContact CG-CG1 3.91Å |
| 182 | E | 65.1 | Low | 61.1 | Low | 167 Ų | 167 | 100.9 Ų | 100.9 | 78% | 0.78 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 140.9 | 177.2 | -172.5 | 57 | -135 | 0 | 0 | 111.3 | ||
| 183 | E | 75.9 | Confident | 63.6 | Low | 81 Ų | 81 | 97.2 Ų | 97.2 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 126.2 | -174.1 | -67.9 | -171.1 | 179.5 | 0 | 0 | 111 | R206 | E183-R206 HydrophobicContact CG-CG 4.01Å; E183-R206 WeakPolarHBondContact OE1-CD 3.17Å; E183-R206 WeakPolarHBondContact OE1-CG 3.38Å; E183-R206 IonicContact OE1-CZ 3.78Å; E183-R206 IonicContact OE1-NE 2.84Å |
| 184 | P | 73 | Confident | 66.4 | Low | 18 Ų | 18 | 91.3 Ų | 91.3 | 12% | 0.117 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 147.6 | -179.6 | 26.7 | -33.6 | 0 | 0 | 0 | 111.6 | V191 R207 L209 | P184-V191 HydrophobicContact CB-CG2 3.92Å; P184-V191 HydrophobicContact CG-CG1 4.12Å; P184-V191 HydrophobicContact CG-CG2 4.14Å; P184-R207 VanDerWaalsContact CD-O 3.3Å; P184-R207 WeakPolarHBondContact CD-O 3.3Å; P184-R207 HydrophobicContact CG-CB 4.03Å; P184-R207 PolarHBondContact O-NE 3.06Å; P184-R207 PolarHBondContact O-NH2 3.13Å; P184-L209 HydrophobicContact CB-CD2 4.16Å; P184-L209 HydrophobicContact CB-CG 4.17Å; P184-L209 HydrophobicContact CG-CG 4.26Å |
| 185 | S | 64.9 | Low | 69.4 | Low | 80 Ų | 80 | 86.2 Ų | 86.2 | 56% | 0.559 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 154.4 | 179 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | T187 | S185-T187 PolarHBondContact O-N 2.77Å; S185-T187 VanDerWaalsContact O-N 3.07Å |
| 186 | Q | 61.5 | Low | 71.5 | Confident | 169 Ų | 169 | 77.2 Ų | 77.2 | 79% | 0.79 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.6 | -171.6 | -168.5 | 171.6 | 20.1 | 0 | 0 | 114.6 | ||
| 187 | T | 59.1 | Low | 73.9 | Confident | 131 Ų | 131 | 75.3 Ų | 75.3 | 80% | 0.804 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -5.6 | -170 | -46.8 | 0 | 0 | 0 | 0 | 113.8 | S185 | S185-T187 PolarHBondContact O-N 2.77Å; S185-T187 VanDerWaalsContact O-N 3.07Å |
| 188 | A | 66.5 | Low | 76 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | trans | -80.5 | 131.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E190 V191 | A188-E190 PolarHBondContact O-N 3.46Å; A188-V191 HydrophobicContact CB-CG2 3.68Å; A188-V191 WeakPolarHBondContact O-CG2 3.15Å; A188-V191 PolarHBondContact O-N 2.97Å | ||
| 189 | E | 63.4 | Low | 77.6 | Confident | 192 Ų | 192 | 72.8 Ų | 72.8 | 90% | 0.897 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.7 | -171.2 | -68.1 | -179.1 | 163.2 | 0 | 0 | 114.6 | ||
| 190 | E | 81 | Confident | 78.8 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 52% | 0.523 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 26 | -175.5 | -65.4 | 178.1 | -177.7 | 0 | 0 | 113.6 | A188 L209 K210 | A188-E190 PolarHBondContact O-N 3.46Å; E190-L209 WeakPolarHBondContact O-CA 3.42Å; E190-K210 HydrophobicContact CB-CD 4.28Å; E190-K210 WeakPolarHBondContact O-CG 3.01Å; E190-K210 PolarHBondContact O-N 2.79Å |
| 191 | V | 86.1 | Confident | 79.5 | Confident | 29 Ų | 29 | 71 Ų | 71 | 18% | 0.176 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 134.1 | 178 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | P184 A188 R207 F208 L209 | P184-V191 HydrophobicContact CB-CG2 3.92Å; P184-V191 HydrophobicContact CG-CG1 4.12Å; P184-V191 HydrophobicContact CG-CG2 4.14Å; A188-V191 HydrophobicContact CB-CG2 3.68Å; A188-V191 WeakPolarHBondContact O-CG2 3.15Å; A188-V191 PolarHBondContact O-N 2.97Å; V191-R207 HydrophobicContact CG1-CB 3.7Å; V191-R207 HydrophobicContact CG1-CG 4.03Å; V191-F208 WeakPolarHBondContact CA-O 3.5Å; V191-L209 HydrophobicContact CG2-CD2 3.75Å |
| 192 | V | 88.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.006 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | V194 R207 F208 K210 I255 V257 | V192-V194 HydrophobicContact CG1-CG2 4.26Å; V192-R207 CarbonylContact O-C 3.49Å; V192-R207 WeakPolarHBondContact O-CA 3.22Å; V192-F208 PolarHBondContact N-O 2.91Å; V192-F208 PolarHBondContact O-N 2.88Å; V192-K210 HydrophobicContact CG2-CD 4.29Å; V192-K210 HydrophobicContact CG2-CG 3.59Å; V192-I255 HydrophobicContact CG1-CG2 3.77Å; V192-V257 WeakPolarHBondContact CG1-O 3.21Å |
| 193 | T | 91.4 | Very high | 81.6 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 27% | 0.27 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.9 | 172.3 | -50.6 | 0 | 0 | 0 | 0 | 109.6 | D258 T259 | T193-D258 WeakPolarHBondContact CA-OD1 3.48Å; T193-D258 VanDerWaalsContact CB-OD1 3.29Å; T193-D258 WeakPolarHBondContact CB-OD1 3.16Å; T193-D258 PolarHBondContact N-OD1 3.16Å; T193-D258 VanDerWaalsContact O-CA 3.32Å; T193-D258 WeakPolarHBondContact O-CA 3.5Å; T193-D258 PolarHBondContact OG1-OD1 3.46Å; T193-T259 PolarHBondContact O-N 3.44Å; T193-T259 VanDerWaalsContact O-N 3.13Å |
| 194 | V | 92.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.9 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | V192 R205 R206 F208 L217 W220 I255 T259 L261 | V192-V194 HydrophobicContact CG1-CG2 4.26Å; V194-R205 WeakPolarHBondContact O-CA 3.33Å; V194-R206 PolarHBondContact N-O 3.49Å; V194-R206 PolarHBondContact O-N 2.84Å; V194-F208 HydrophobicContact CB-CD2 3.82Å; V194-F208 HydrophobicContact CB-CE2 3.89Å; V194-F208 HydrophobicContact CG2-CD2 3.68Å; V194-F208 HydrophobicContact CG2-CE2 4.22Å; V194-L217 HydrophobicContact CG1-CD2 4.18Å; V194-L217 HydrophobicContact CG2-CD2 4.36Å; V194-W220 HydrophobicContact CG1-CZ3 4.13Å; V194-I255 HydrophobicContact CG2-CG2 4.16Å; V194-T259 WeakPolarHBondContact CA-O 3.41Å; V194-L261 HydrophobicContact CG1-CB 4.49Å; V194-L261 HydrophobicContact CG1-CD1 3.53Å; V194-L261 HydrophobicContact CG1-CG 3.81Å |
| 195 | A | 93.6 | Very high | 83.2 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 10% | 0.099 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V203 L204 R205 T259 V260 L261 | A195-V203 HydrophobicContact CB-CG1 4.19Å; A195-L204 CarbonylContact C-O 3.47Å; A195-L204 WeakPolarHBondContact CA-O 3.4Å; A195-R205 HydrophobicContact CB-CG 4.03Å; A195-T259 PolarHBondContact N-O 3.07Å; A195-V260 HydrophobicContact CB-CG2 4.29Å; A195-V260 CarbonylContact O-C 3.58Å; A195-V260 WeakPolarHBondContact O-CA 3.4Å; A195-L261 PolarHBondContact O-N 3.47Å |
| 196 | L | 93.1 | Very high | 84.5 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.6 | 177.5 | -172.8 | 68.5 | 0 | 0 | 0 | 110.8 | V203 L204 W220 I224 L233 L261 L263 | L196-V203 CarbonylContact O-C 3.53Å; L196-V203 VanDerWaalsContact O-CA 3.29Å; L196-V203 WeakPolarHBondContact O-CA 3.24Å; L196-L204 HydrophobicContact CB-CB 4.5Å; L196-L204 PolarHBondContact N-O 2.92Å; L196-L204 PolarHBondContact O-N 2.82Å; L196-W220 HydrophobicContact CB-CH2 3.57Å; L196-W220 HydrophobicContact CB-CZ2 4.48Å; L196-W220 HydrophobicContact CB-CZ3 3.6Å; L196-W220 HydrophobicContact CD2-CE3 4.38Å; L196-W220 HydrophobicContact CD2-CH2 4.45Å; L196-W220 HydrophobicContact CD2-CZ3 4.22Å; L196-W220 HydrophobicContact CG-CZ3 4.43Å; L196-I224 HydrophobicContact CD2-CD1 3.71Å; L196-L233 HydrophobicContact CD1-CD2 3.3Å; L196-L261 CarbonylContact C-O 3.59Å; L196-L261 WeakPolarHBondContact CA-O 3.27Å; L196-L261 HydrophobicContact CD1-CB 4.05Å; L196-L263 HydrophobicContact CD1-CB 4.15Å; L196-L263 HydrophobicContact CD1-CD1 4.32Å; L196-L263 HydrophobicContact CD2-CD1 4.01Å; L196-L263 HydrophobicContact CG-CD1 4.41Å |
| 197 | R | 93.3 | Very high | 85.9 | Confident | 139 Ų | 139 | 69.7 Ų | 69.7 | 53% | 0.525 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.9 | 172.4 | -63 | -169.5 | 172.8 | -162.6 | 0.4 | 109.8 | V203 V260 L261 L263 | R197-V203 HydrophobicContact CG-CG1 4.32Å; R197-V203 HydrophobicContact CG-CG2 4.07Å; R197-V260 HydrophobicContact CG-CG1 3.86Å; R197-L261 PolarHBondContact N-O 3.24Å; R197-L263 VanDerWaalsContact O-CB 3.32Å; R197-L263 WeakPolarHBondContact O-CB 3.25Å; R197-L263 PolarHBondContact O-N 3.37Å |
| 198 | C | 90.8 | Very high | 87.3 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.081 | 34% | 0.335 | C | S | . | . | trans | -87.2 | 150.7 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | S200 G201 N202 Y226 | C198-S200 VanDerWaalsContact CB-OG 3.32Å; C198-S200 WeakPolarHBondContact CB-OG 3.4Å; C198-S200 PolarHBondContact O-N 2.91Å; C198-S200 VanDerWaalsContact O-N 3.11Å; C198-G201 PolarHBondContact O-N 2.96Å; C198-N202 PolarHBondContact N-O 2.68Å; C198-Y226 HydrophobicContact CB-CE2 4.15Å | ||
| 199 | P | 88.6 | Confident | 88.4 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.7 | 172 | -24.5 | 32.8 | 0 | 0 | 0 | 113.1 | G201 Y231 L263 | P199-G201 PolarHBondContact O-N 3.17Å; P199-Y231 HydrophobicContact CG-CE1 4.15Å; P199-L263 HydrophobicContact CG-CD2 3.61Å; P199-L263 WeakPolarHBondContact CG-O 3.01Å |
| 200 | S | 83.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -6.6 | 174.4 | 54.9 | 0 | 0 | 0 | 0 | 114 | C198 N202 Y226 | C198-S200 VanDerWaalsContact CB-OG 3.32Å; C198-S200 WeakPolarHBondContact CB-OG 3.4Å; C198-S200 PolarHBondContact O-N 2.91Å; C198-S200 VanDerWaalsContact O-N 3.11Å; S200-N202 VanDerWaalsContact C-N 3.32Å; S200-Y226 PolarHBondContact OG-OH 3.01Å |
| 201 | G | 85.4 | Confident | 90 | Very high | 63 Ų | 63 | 55 Ų | 55 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 88.3 | -6.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C198 P199 | C198-G201 PolarHBondContact O-N 2.96Å; P199-G201 PolarHBondContact O-N 3.17Å |
| 202 | N | 89.3 | Confident | 90.1 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | trans | -80.6 | 149.4 | 176.2 | -63.4 | -43.3 | 0 | 0 | 0 | 111.3 | C198 S200 | C198-N202 PolarHBondContact N-O 2.68Å; S200-N202 VanDerWaalsContact C-N 3.32Å | ||
| 203 | V | 92.6 | Very high | 90.2 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.3 | 173.7 | -173.4 | 0 | 0 | 0 | 0 | 109 | A195 L196 R197 | A195-V203 HydrophobicContact CB-CG1 4.19Å; L196-V203 CarbonylContact O-C 3.53Å; L196-V203 VanDerWaalsContact O-CA 3.29Å; L196-V203 WeakPolarHBondContact O-CA 3.24Å; R197-V203 HydrophobicContact CG-CG1 4.32Å; R197-V203 HydrophobicContact CG-CG2 4.07Å |
| 204 | L | 91.2 | Very high | 90 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134 | 177.7 | -60.2 | 174.6 | 0 | 0 | 0 | 108.8 | A195 L196 W220 I224 | A195-L204 CarbonylContact C-O 3.47Å; A195-L204 WeakPolarHBondContact CA-O 3.4Å; L196-L204 HydrophobicContact CB-CB 4.5Å; L196-L204 PolarHBondContact N-O 2.92Å; L196-L204 PolarHBondContact O-N 2.82Å; L204-W220 HydrophobicContact CB-CH2 4.25Å; L204-W220 HydrophobicContact CB-CZ2 3.87Å; L204-I224 HydrophobicContact CD1-CB 4.3Å; L204-I224 HydrophobicContact CD1-CD1 3.44Å; L204-I224 VanDerWaalsContact CD1-CD1 3.44Å; L204-I224 HydrophobicContact CD1-CG1 3.73Å; L204-I224 HydrophobicContact CD1-CG2 3.53Å |
| 205 | R | 92.3 | Very high | 89.8 | Confident | 194 Ų | 194 | 60.2 Ų | 60.2 | 73% | 0.732 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.7 | 179.9 | -62 | -177.3 | -177.2 | -175.7 | -0 | 108.7 | V194 A195 | V194-R205 WeakPolarHBondContact O-CA 3.33Å; A195-R205 HydrophobicContact CB-CG 4.03Å |
| 206 | R | 90.7 | Very high | 89.6 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 145.4 | 175.8 | -179 | 162.2 | -177.8 | 155 | 8.3 | 109.9 | L180 P181 E183 V194 F208 W220 | L180-R206 VanDerWaalsContact CD2-CZ 3.48Å; P181-R206 PolarHBondContact O-NH2 3.34Å; E183-R206 HydrophobicContact CG-CG 4.01Å; E183-R206 WeakPolarHBondContact OE1-CD 3.17Å; E183-R206 WeakPolarHBondContact OE1-CG 3.38Å; E183-R206 IonicContact OE1-CZ 3.78Å; E183-R206 IonicContact OE1-NE 2.84Å; V194-R206 PolarHBondContact N-O 3.49Å; V194-R206 PolarHBondContact O-N 2.84Å; R206-F208 HydrophobicContact CB-CE2 3.68Å; R206-F208 HydrophobicContact CB-CZ 3.9Å; R206-F208 HydrophobicContact CG-CD2 4.37Å; R206-F208 HydrophobicContact CG-CE1 4.09Å; R206-F208 HydrophobicContact CG-CE2 3.7Å; R206-F208 HydrophobicContact CG-CZ 3.55Å; R206-W220 HydrophobicContact CB-CD2 4.44Å; R206-W220 HydrophobicContact CB-CH2 3.81Å; R206-W220 HydrophobicContact CB-CZ2 3.48Å; R206-W220 VanDerWaalsContact CB-CZ2 3.48Å; R206-W220 HydrophobicContact CB-CZ3 4.41Å |
| 207 | R | 91 | Very high | 89.5 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 30% | 0.302 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 142.2 | 175.9 | -67.8 | -174.6 | -61.4 | -102.8 | -8.7 | 110.1 | P184 V191 V192 | P184-R207 VanDerWaalsContact CD-O 3.3Å; P184-R207 WeakPolarHBondContact CD-O 3.3Å; P184-R207 HydrophobicContact CG-CB 4.03Å; P184-R207 PolarHBondContact O-NE 3.06Å; P184-R207 PolarHBondContact O-NH2 3.13Å; V191-R207 HydrophobicContact CG1-CB 3.7Å; V191-R207 HydrophobicContact CG1-CG 4.03Å; V192-R207 CarbonylContact O-C 3.49Å; V192-R207 WeakPolarHBondContact O-CA 3.22Å |
| 208 | F | 90 | Very high | 89.3 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.6 | 177.4 | -61.6 | -82.6 | 0 | 0 | 0 | 109.7 | V191 V192 V194 R206 Y212 V216 L217 W220 L250 | V191-F208 WeakPolarHBondContact CA-O 3.5Å; V192-F208 PolarHBondContact N-O 2.91Å; V192-F208 PolarHBondContact O-N 2.88Å; V194-F208 HydrophobicContact CB-CD2 3.82Å; V194-F208 HydrophobicContact CB-CE2 3.89Å; V194-F208 HydrophobicContact CG2-CD2 3.68Å; V194-F208 HydrophobicContact CG2-CE2 4.22Å; R206-F208 HydrophobicContact CB-CE2 3.68Å; R206-F208 HydrophobicContact CB-CZ 3.9Å; R206-F208 HydrophobicContact CG-CD2 4.37Å; R206-F208 HydrophobicContact CG-CE1 4.09Å; R206-F208 HydrophobicContact CG-CE2 3.7Å; R206-F208 HydrophobicContact CG-CZ 3.55Å; F208-Y212 HydrophobicContact CB-CD2 4.38Å; F208-Y212 HydrophobicContact CD1-CD2 4.21Å; F208-V216 HydrophobicContact CD1-CG1 3.93Å; F208-V216 HydrophobicContact CE1-CG1 3.72Å; F208-L217 HydrophobicContact CD2-CD2 4.11Å; F208-L217 HydrophobicContact CE2-CD2 3.83Å; F208-L217 HydrophobicContact CZ-CD2 4.04Å; F208-W220 HydrophobicContact CE2-CD2 4.38Å; F208-W220 AromaticContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CZ3 4.02Å; F208-W220 HydrophobicContact CZ-CB 4.38Å; F208-W220 AromaticContact CZ-CD2 3.83Å; F208-W220 HydrophobicContact CZ-CD2 3.83Å; F208-W220 AromaticContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CG 4.13Å; F208-W220 HydrophobicContact CZ-CZ3 4.27Å; F208-L250 HydrophobicContact CB-CD1 3.59Å; F208-L250 HydrophobicContact CG-CD1 4.3Å |
| 209 | L | 89.4 | Confident | 89.3 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 144.1 | 170.9 | -68.6 | 171.9 | 0 | 0 | 0 | 109.7 | P184 E190 V191 S211 Y212 L250 | P184-L209 HydrophobicContact CB-CD2 4.16Å; P184-L209 HydrophobicContact CB-CG 4.17Å; P184-L209 HydrophobicContact CG-CG 4.26Å; E190-L209 WeakPolarHBondContact O-CA 3.42Å; V191-L209 HydrophobicContact CG2-CD2 3.75Å; L209-S211 PolarHBondContact O-N 3.41Å; L209-Y212 HydrophobicContact CB-CD1 3.81Å; L209-Y212 HydrophobicContact CB-CD2 4.42Å; L209-Y212 HydrophobicContact CB-CE1 3.93Å; L209-Y212 HydrophobicContact CB-CE2 4.5Å; L209-Y212 HydrophobicContact CB-CG 4.09Å; L209-Y212 HydrophobicContact CD1-CD1 4.32Å; L209-Y212 HydrophobicContact CD1-CE1 3.61Å; L209-Y212 HydrophobicContact CG-CE1 4.16Å; L209-Y212 WeakPolarHBondContact O-CB 3.17Å; L209-Y212 PolarHBondContact O-N 3.37Å; L209-L250 WeakPolarHBondContact O-CD1 3.39Å |
| 210 | K | 89.6 | Confident | 89.4 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 24% | 0.235 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.9 | 177.5 | -70.5 | 172.7 | -175.1 | 177.5 | 0 | 113.1 | E190 V192 Y212 L250 E251 T256 | E190-K210 HydrophobicContact CB-CD 4.28Å; E190-K210 WeakPolarHBondContact O-CG 3.01Å; E190-K210 PolarHBondContact O-N 2.79Å; V192-K210 HydrophobicContact CG2-CD 4.29Å; V192-K210 HydrophobicContact CG2-CG 3.59Å; K210-Y212 VanDerWaalsContact C-N 3.26Å; K210-Y212 PolarHBondContact O-N 2.96Å; K210-L250 PolarHBondContact O-N 3.17Å; K210-E251 HydrophobicContact CB-CB 4.45Å; K210-E251 PolarHBondContact O-N 3.44Å; K210-T256 VanDerWaalsContact CE-O 3.25Å; K210-T256 WeakPolarHBondContact CE-O 3.41Å |
| 211 | S | 87.3 | Confident | 89.6 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.7 | 178.6 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | L209 | L209-S211 PolarHBondContact O-N 3.41Š|
| 212 | Y | 88.5 | Confident | 89.8 | Confident | 58 Ų | 58 | 49 Ų | 49 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -68.9 | 147.8 | 178.1 | -77.4 | 1.9 | 0 | 0 | 0 | 111.8 | P181 F208 L209 K210 V216 S249 L250 | P181-Y212 HydrophobicContact CB-CE2 4.02Å; P181-Y212 HydrophobicContact CG-CD2 4.19Å; P181-Y212 HydrophobicContact CG-CE2 3.59Å; F208-Y212 HydrophobicContact CB-CD2 4.38Å; F208-Y212 HydrophobicContact CD1-CD2 4.21Å; L209-Y212 HydrophobicContact CB-CD1 3.81Å; L209-Y212 HydrophobicContact CB-CD2 4.42Å; L209-Y212 HydrophobicContact CB-CE1 3.93Å; L209-Y212 HydrophobicContact CB-CE2 4.5Å; L209-Y212 HydrophobicContact CB-CG 4.09Å; L209-Y212 HydrophobicContact CD1-CD1 4.32Å; L209-Y212 HydrophobicContact CD1-CE1 3.61Å; L209-Y212 HydrophobicContact CG-CE1 4.16Å; L209-Y212 WeakPolarHBondContact O-CB 3.17Å; L209-Y212 PolarHBondContact O-N 3.37Å; K210-Y212 VanDerWaalsContact C-N 3.26Å; K210-Y212 PolarHBondContact O-N 2.96Å; Y212-V216 HydrophobicContact CD2-CG1 4.39Å; Y212-S249 CarbonylContact O-C 3.16Å; Y212-S249 VanDerWaalsContact O-CA 3.3Å; Y212-S249 WeakPolarHBondContact O-CA 3.38Å; Y212-L250 PolarHBondContact O-N 2.89Å |
| 213 | S | 89.8 | Confident | 89.8 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -63.9 | 142.5 | 172.5 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | Q215 V216 | S213-Q215 PolarHBondContact O-N 2.99Å; S213-Q215 VanDerWaalsContact O-N 3.15Å; S213-Q215 WeakPolarHBondContact OG-CB 3.49Å; S213-Q215 PolarHBondContact OG-N 3.21Å; S213-V216 WeakPolarHBondContact O-CB 3.24Å; S213-V216 WeakPolarHBondContact O-CG2 3.29Å; S213-V216 PolarHBondContact O-N 3.5Å |
| 214 | S | 88 | Confident | 89.5 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28 | 171.7 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | V216 L217 F218 E245 Q248 | S214-V216 PolarHBondContact O-N 3.48Å; S214-L217 WeakPolarHBondContact O-CB 3.42Å; S214-L217 PolarHBondContact O-N 2.91Å; S214-L217 VanDerWaalsContact O-N 3.09Å; S214-F218 WeakPolarHBondContact O-CD2 3.38Å; S214-E245 PolarHBondContact OG-O 3.44Å; S214-Q248 WeakPolarHBondContact CB-O 3.31Å; S214-Q248 PolarHBondContact N-O 2.97Å; S214-Q248 PolarHBondContact OG-O 2.94Å |
| 215 | Q | 88.4 | Confident | 89.4 | Confident | 92 Ų | 92 | 49.5 Ų | 49.5 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.7 | -33.9 | 176.2 | -68.1 | 174.8 | -19.1 | 0 | 0 | 112.1 | S213 L217 F218 D219 G246 | S213-Q215 PolarHBondContact O-N 2.99Å; S213-Q215 VanDerWaalsContact O-N 3.15Å; S213-Q215 WeakPolarHBondContact OG-CB 3.49Å; S213-Q215 PolarHBondContact OG-N 3.21Å; Q215-L217 PolarHBondContact O-N 2.93Å; Q215-L217 VanDerWaalsContact O-N 3.14Å; Q215-F218 WeakPolarHBondContact O-CA 3.47Å; Q215-F218 WeakPolarHBondContact O-CB 3.31Å; Q215-F218 PolarHBondContact O-N 3.43Å; Q215-D219 PolarHBondContact O-N 2.99Å; Q215-G246 VanDerWaalsContact NE2-CA 3.33Å |
| 216 | V | 89.4 | Confident | 89.3 | Confident | 20 Ų | 20 | 42 Ų | 42 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -29.3 | 180 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | P181 F208 Y212 S213 S214 W220 | P181-V216 HydrophobicContact CG-CG1 3.91Å; F208-V216 HydrophobicContact CD1-CG1 3.93Å; F208-V216 HydrophobicContact CE1-CG1 3.72Å; Y212-V216 HydrophobicContact CD2-CG1 4.39Å; S213-V216 WeakPolarHBondContact O-CB 3.24Å; S213-V216 WeakPolarHBondContact O-CG2 3.29Å; S213-V216 PolarHBondContact O-N 3.5Å; S214-V216 PolarHBondContact O-N 3.48Å; V216-W220 WeakPolarHBondContact O-CB 3.18Å; V216-W220 PolarHBondContact O-N 2.96Å |
| 217 | L | 89.7 | Confident | 89.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71 | -37.5 | 174.9 | -64.1 | 176.3 | 0 | 0 | 0 | 112.4 | V194 F208 S214 Q215 W220 M221 L233 L242 L250 I255 L261 | V194-L217 HydrophobicContact CG1-CD2 4.18Å; V194-L217 HydrophobicContact CG2-CD2 4.36Å; F208-L217 HydrophobicContact CD2-CD2 4.11Å; F208-L217 HydrophobicContact CE2-CD2 3.83Å; F208-L217 HydrophobicContact CZ-CD2 4.04Å; S214-L217 WeakPolarHBondContact O-CB 3.42Å; S214-L217 PolarHBondContact O-N 2.91Å; S214-L217 VanDerWaalsContact O-N 3.09Å; Q215-L217 PolarHBondContact O-N 2.93Å; Q215-L217 VanDerWaalsContact O-N 3.14Å; L217-W220 WeakPolarHBondContact O-CB 3.29Å; L217-W220 PolarHBondContact O-N 2.93Å; L217-M221 WeakPolarHBondContact O-CB 3.36Å; L217-M221 PolarHBondContact O-N 3.41Å; L217-L233 HydrophobicContact CB-CD1 3.83Å; L217-L242 HydrophobicContact CD1-CD1 4.26Å; L217-L250 HydrophobicContact CD1-CD2 3.42Å; L217-L250 VanDerWaalsContact CD1-CD2 3.42Å; L217-L250 HydrophobicContact CD2-CD2 4.39Å; L217-L250 HydrophobicContact CG-CD2 3.79Å; L217-I255 HydrophobicContact CD1-CD1 3.74Å; L217-L261 HydrophobicContact CD1-CD1 3.82Å; L217-L261 HydrophobicContact CD2-CD1 4.37Å |
| 218 | F | 89.8 | Confident | 89 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.022 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -75.8 | -33.2 | 177.5 | -65.9 | -73.6 | 0 | 0 | 0 | 111.8 | S214 Q215 W220 M221 T222 I228 L233 L242 V244 | S214-F218 WeakPolarHBondContact O-CD2 3.38Å; Q215-F218 WeakPolarHBondContact O-CA 3.47Å; Q215-F218 WeakPolarHBondContact O-CB 3.31Å; Q215-F218 PolarHBondContact O-N 3.43Å; F218-W220 VanDerWaalsContact C-N 3.34Å; F218-M221 HydrophobicContact CD1-SD 4.29Å; F218-M221 WeakPolarHBondContact O-CB 3.46Å; F218-M221 PolarHBondContact O-N 3.4Å; F218-T222 WeakPolarHBondContact O-CB 3.39Å; F218-T222 PolarHBondContact O-N 3Å; F218-T222 PolarHBondContact O-OG1 2.89Å; F218-I228 HydrophobicContact CB-CD1 3.67Å; F218-I228 HydrophobicContact CB-CG1 3.93Å; F218-I228 HydrophobicContact CD1-CG1 4.24Å; F218-I228 HydrophobicContact CD1-CG2 4.26Å; F218-I228 HydrophobicContact CG-CD1 4.44Å; F218-I228 HydrophobicContact CG-CG1 4.49Å; F218-L233 HydrophobicContact CD1-CD1 3.96Å; F218-L233 HydrophobicContact CD1-CG 4.35Å; F218-L233 HydrophobicContact CE1-CB 4.21Å; F218-L233 HydrophobicContact CE1-CD1 3.88Å; F218-L233 HydrophobicContact CE1-CG 4.04Å; F218-L233 HydrophobicContact CG-CD1 4.46Å; F218-L233 HydrophobicContact CZ-CD1 4.32Å; F218-L242 HydrophobicContact CZ-CB 4.11Å; F218-V244 HydrophobicContact CD1-CG2 4.12Å; F218-V244 HydrophobicContact CD2-CG1 4.47Å; F218-V244 HydrophobicContact CD2-CG2 4.29Å; F218-V244 HydrophobicContact CE1-CG2 3.68Å; F218-V244 HydrophobicContact CE2-CB 4.37Å; F218-V244 HydrophobicContact CE2-CG2 3.88Å; F218-V244 HydrophobicContact CG-CG2 4.41Å; F218-V244 HydrophobicContact CZ-CB 4.45Å; F218-V244 HydrophobicContact CZ-CG2 3.55Å |
| 219 | D | 90.3 | Very high | 88.9 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 168.8 | -70.4 | -18.9 | 0 | 0 | 0 | 110.5 | P178 L180 Q215 M221 T222 R223 | P178-D219 HydrophobicContact CB-CB 3.71Å; P178-D219 HydrophobicContact CG-CB 4.09Å; L180-D219 HydrophobicContact CD1-CB 3.95Å; Q215-D219 PolarHBondContact O-N 2.99Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 3.43Å; D219-T222 PolarHBondContact O-N 2.97Å; D219-R223 PolarHBondContact O-N 2.69Å |
| 220 | W | 89.9 | Confident | 88.9 | Confident | 19 Ų | 19 | 50 Ų | 50 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.6 | -172.1 | 29.6 | 0 | 0 | 0 | 111.8 | L180 V194 L196 L204 R206 F208 V216 L217 F218 T222 R223 I224 | L180-W220 VanDerWaalsContact CD2-CA 3.42Å; L180-W220 HydrophobicContact CD2-CB 3.46Å; L180-W220 VanDerWaalsContact CD2-CB 3.46Å; L180-W220 HydrophobicContact CD2-CG 3.72Å; V194-W220 HydrophobicContact CG1-CZ3 4.13Å; L196-W220 HydrophobicContact CB-CH2 3.57Å; L196-W220 HydrophobicContact CB-CZ2 4.48Å; L196-W220 HydrophobicContact CB-CZ3 3.6Å; L196-W220 HydrophobicContact CD2-CE3 4.38Å; L196-W220 HydrophobicContact CD2-CH2 4.45Å; L196-W220 HydrophobicContact CD2-CZ3 4.22Å; L196-W220 HydrophobicContact CG-CZ3 4.43Å; L204-W220 HydrophobicContact CB-CH2 4.25Å; L204-W220 HydrophobicContact CB-CZ2 3.87Å; R206-W220 HydrophobicContact CB-CD2 4.44Å; R206-W220 HydrophobicContact CB-CH2 3.81Å; R206-W220 HydrophobicContact CB-CZ2 3.48Å; R206-W220 VanDerWaalsContact CB-CZ2 3.48Å; R206-W220 HydrophobicContact CB-CZ3 4.41Å; F208-W220 HydrophobicContact CE2-CD2 4.38Å; F208-W220 AromaticContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CZ3 4.02Å; F208-W220 HydrophobicContact CZ-CB 4.38Å; F208-W220 AromaticContact CZ-CD2 3.83Å; F208-W220 HydrophobicContact CZ-CD2 3.83Å; F208-W220 AromaticContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CG 4.13Å; F208-W220 HydrophobicContact CZ-CZ3 4.27Å; V216-W220 WeakPolarHBondContact O-CB 3.18Å; V216-W220 PolarHBondContact O-N 2.96Å; L217-W220 WeakPolarHBondContact O-CB 3.29Å; L217-W220 PolarHBondContact O-N 2.93Å; F218-W220 VanDerWaalsContact C-N 3.34Å; W220-T222 VanDerWaalsContact C-N 3.31Å; W220-T222 PolarHBondContact O-N 3.4Å; W220-R223 PolarHBondContact O-N 3.24Å; W220-I224 HydrophobicContact CD2-CD1 3.93Å; W220-I224 HydrophobicContact CG-CD1 4.02Å; W220-I224 HydrophobicContact CZ2-CD1 4.1Å; W220-I224 WeakPolarHBondContact O-CD1 3.36Å; W220-I224 VanDerWaalsContact O-CG1 3.27Å; W220-I224 WeakPolarHBondContact O-CG1 3.49Å; W220-I224 PolarHBondContact O-N 3.36Å |
| 221 | M | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.5 | -47 | 175.5 | -175.9 | -167.3 | -138.2 | 0 | 0 | 111.1 | L217 F218 D219 R223 I224 G225 Y226 Y231 L233 L263 | L217-M221 WeakPolarHBondContact O-CB 3.36Å; L217-M221 PolarHBondContact O-N 3.41Å; F218-M221 HydrophobicContact CD1-SD 4.29Å; F218-M221 WeakPolarHBondContact O-CB 3.46Å; F218-M221 PolarHBondContact O-N 3.4Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 3.43Å; M221-R223 PolarHBondContact O-N 3.32Å; M221-I224 PolarHBondContact O-N 2.99Å; M221-G225 PolarHBondContact O-N 2.93Å; M221-Y226 CarbonylContact C-O 3.56Å; M221-Y226 WeakPolarHBondContact CG-O 3.41Å; M221-Y226 PolarHBondContact O-N 3.46Å; M221-Y226 VanDerWaalsContact O-O 3.09Å; M221-Y231 VanDerWaalsContact CE-CB 3.45Å; M221-L233 HydrophobicContact CE-CD2 3.71Å; M221-L233 HydrophobicContact CE-CG 3.85Å; M221-L233 HydrophobicContact SD-CD2 4.34Å; M221-L233 HydrophobicContact SD-CG 4.14Å; M221-L263 HydrophobicContact CE-CB 4.5Å; M221-L263 HydrophobicContact CE-CD1 3.38Å; M221-L263 HydrophobicContact CE-CD2 4.29Å; M221-L263 HydrophobicContact CE-CG 3.42Å; M221-L263 VanDerWaalsContact CE-CG 3.42Å; M221-L263 HydrophobicContact CG-CD1 3.72Å; M221-L263 HydrophobicContact SD-CD1 4.43Å |
| 222 | T | 89.6 | Confident | 89.1 | Confident | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | F218 D219 W220 I224 G225 Y226 | F218-T222 WeakPolarHBondContact O-CB 3.39Å; F218-T222 PolarHBondContact O-N 3Å; F218-T222 PolarHBondContact O-OG1 2.89Å; D219-T222 PolarHBondContact O-N 2.97Å; W220-T222 VanDerWaalsContact C-N 3.31Å; W220-T222 PolarHBondContact O-N 3.4Å; T222-I224 VanDerWaalsContact C-N 3.32Å; T222-I224 PolarHBondContact O-N 3.47Å; T222-G225 WeakPolarHBondContact O-CA 3.47Å; T222-G225 PolarHBondContact O-N 3.29Å; T222-Y226 VanDerWaalsContact CA-O 3.24Å; T222-Y226 WeakPolarHBondContact CA-O 3.28Å; T222-Y226 PolarHBondContact N-O 3.31Å |
| 223 | R | 87.8 | Confident | 89.3 | Confident | 130 Ų | 130 | 45.3 Ų | 45.3 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.5 | -33.4 | 175.4 | -178.1 | 171.7 | 178.8 | 138.1 | -5.4 | 113.3 | I177 L180 D219 W220 M221 G225 | I177-R223 HydrophobicContact CG2-CG 4.37Å; L180-R223 HydrophobicContact CD1-CB 4.01Å; D219-R223 PolarHBondContact O-N 2.69Å; W220-R223 PolarHBondContact O-N 3.24Å; M221-R223 PolarHBondContact O-N 3.32Å; R223-G225 PolarHBondContact O-N 3.19Å |
| 224 | I | 88 | Confident | 89.4 | Confident | 55 Ų | 55 | 43.8 Ų | 43.8 | 28% | 0.282 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.8 | -18.4 | 174.5 | -64.3 | 158.2 | 0 | 0 | 0 | 111.2 | L196 L204 W220 M221 T222 Y226 | L196-I224 HydrophobicContact CD2-CD1 3.71Å; L204-I224 HydrophobicContact CD1-CB 4.3Å; L204-I224 HydrophobicContact CD1-CD1 3.44Å; L204-I224 VanDerWaalsContact CD1-CD1 3.44Å; L204-I224 HydrophobicContact CD1-CG1 3.73Å; L204-I224 HydrophobicContact CD1-CG2 3.53Å; W220-I224 HydrophobicContact CD2-CD1 3.93Å; W220-I224 HydrophobicContact CG-CD1 4.02Å; W220-I224 HydrophobicContact CZ2-CD1 4.1Å; W220-I224 WeakPolarHBondContact O-CD1 3.36Å; W220-I224 VanDerWaalsContact O-CG1 3.27Å; W220-I224 WeakPolarHBondContact O-CG1 3.49Å; W220-I224 PolarHBondContact O-N 3.36Å; M221-I224 PolarHBondContact O-N 2.99Å; T222-I224 VanDerWaalsContact C-N 3.32Å; T222-I224 PolarHBondContact O-N 3.47Å; I224-Y226 HydrophobicContact CB-CD2 4.25Å; I224-Y226 HydrophobicContact CG2-CD2 3.7Å; I224-Y226 HydrophobicContact CG2-CE2 3.71Å |
| 225 | G | 88.4 | Confident | 89.6 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 66% | 0.66 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 108.5 | 9.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M221 T222 R223 | M221-G225 PolarHBondContact O-N 2.93Å; T222-G225 WeakPolarHBondContact O-CA 3.47Å; T222-G225 PolarHBondContact O-N 3.29Å; R223-G225 PolarHBondContact O-N 3.19Å |
| 226 | Y | 89.3 | Confident | 89.5 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | trans | -102.6 | 116.1 | 175.9 | -64.6 | -75.7 | 0 | 0 | 0 | 109.6 | C198 S200 M221 T222 I224 Y231 L263 | C198-Y226 HydrophobicContact CB-CE2 4.15Å; S200-Y226 PolarHBondContact OG-OH 3.01Å; M221-Y226 CarbonylContact C-O 3.56Å; M221-Y226 WeakPolarHBondContact CG-O 3.41Å; M221-Y226 PolarHBondContact O-N 3.46Å; M221-Y226 VanDerWaalsContact O-O 3.09Å; T222-Y226 VanDerWaalsContact CA-O 3.24Å; T222-Y226 WeakPolarHBondContact CA-O 3.28Å; T222-Y226 PolarHBondContact N-O 3.31Å; I224-Y226 HydrophobicContact CB-CD2 4.25Å; I224-Y226 HydrophobicContact CG2-CD2 3.7Å; I224-Y226 HydrophobicContact CG2-CE2 3.71Å; Y226-Y231 HydrophobicContact CD1-CD1 4.27Å; Y226-Y231 AromaticContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CE1 4.09Å; Y226-Y231 AromaticContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CG 4.13Å; Y226-Y231 AromaticContact CD1-CZ 3.79Å; Y226-Y231 HydrophobicContact CE1-CE1 4.36Å; Y226-Y231 HydrophobicContact CE1-CE2 4.43Å; Y226-Y231 HydrophobicContact CG-CD2 4.45Å; Y226-L263 HydrophobicContact CD1-CD1 4.31Å; Y226-L263 HydrophobicContact CD1-CD2 3.54Å; Y226-L263 HydrophobicContact CD2-CD1 3.65Å; Y226-L263 HydrophobicContact CD2-CD2 4.27Å; Y226-L263 HydrophobicContact CE1-CD2 3.87Å; Y226-L263 HydrophobicContact CE2-CD1 4.29Å; Y226-L263 HydrophobicContact CG-CD1 3.67Å; Y226-L263 HydrophobicContact CG-CD2 3.77Å; Y226-L263 HydrophobicContact CG-CG 4.4Å | ||
| 227 | H | 89.1 | Confident | 89.2 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | trans | -87.4 | 140.9 | -177.4 | -166.3 | -102.6 | 0 | 0 | 0 | 112 | S229 L230 Y231 | H227-S229 PolarHBondContact CE1-OG 3.38Å; H227-S229 WeakPolarHBondContact ND1-CB 3.37Å; H227-S229 PolarHBondContact ND1-N 2.98Å; H227-S229 PolarHBondContact ND1-OG 3.37Å; H227-S229 PolarHBondContact O-N 3.46Å; H227-S229 VanDerWaalsContact O-N 3.13Å; H227-L230 PolarHBondContact O-N 3.03Å; H227-Y231 PolarHBondContact O-N 2.99Å | ||
| 228 | I | 87.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.4 | -177 | -52.9 | 165.6 | 0 | 0 | 0 | 112.5 | F218 L230 Y231 V244 | F218-I228 HydrophobicContact CB-CD1 3.67Å; F218-I228 HydrophobicContact CB-CG1 3.93Å; F218-I228 HydrophobicContact CD1-CG1 4.24Å; F218-I228 HydrophobicContact CD1-CG2 4.26Å; F218-I228 HydrophobicContact CG-CD1 4.44Å; F218-I228 HydrophobicContact CG-CG1 4.49Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 3.42Å; I228-Y231 VanDerWaalsContact O-O 3.12Å; I228-V244 HydrophobicContact CG2-CG2 3.95Å |
| 229 | S | 87.3 | Confident | 89 | Confident | 78 Ų | 78 | 63 Ų | 63 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -28.7 | 177.2 | -49.5 | 0 | 0 | 0 | 0 | 113.6 | H227 | H227-S229 PolarHBondContact CE1-OG 3.38Å; H227-S229 WeakPolarHBondContact ND1-CB 3.37Å; H227-S229 PolarHBondContact ND1-N 2.98Å; H227-S229 PolarHBondContact ND1-OG 3.37Å; H227-S229 PolarHBondContact O-N 3.46Å; H227-S229 VanDerWaalsContact O-N 3.13Å |
| 230 | L | 88.7 | Confident | 88.9 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 44% | 0.44 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -24.7 | -174.8 | -63.6 | 177.3 | 0 | 0 | 0 | 112.4 | H227 I228 K266 | H227-L230 PolarHBondContact O-N 3.03Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 3.42Å; L230-K266 PolarHBondContact O-N 2.92Å |
| 231 | Y | 90.7 | Very high | 88.8 | Confident | 56 Ų | 56 | 72 Ų | 72 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143.1 | -174.6 | -62.8 | -86.2 | 0 | 0 | 0 | 111.3 | P199 M221 Y226 H227 I228 L263 E264 E265 | P199-Y231 HydrophobicContact CG-CE1 4.15Å; M221-Y231 VanDerWaalsContact CE-CB 3.45Å; Y226-Y231 HydrophobicContact CD1-CD1 4.27Å; Y226-Y231 AromaticContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CE1 4.09Å; Y226-Y231 AromaticContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CG 4.13Å; Y226-Y231 AromaticContact CD1-CZ 3.79Å; Y226-Y231 HydrophobicContact CE1-CE1 4.36Å; Y226-Y231 HydrophobicContact CE1-CE2 4.43Å; Y226-Y231 HydrophobicContact CG-CD2 4.45Å; H227-Y231 PolarHBondContact O-N 2.99Å; I228-Y231 VanDerWaalsContact O-O 3.12Å; Y231-L263 HydrophobicContact CD1-CD2 3.32Å; Y231-L263 HydrophobicContact CD1-CG 4.44Å; Y231-L263 HydrophobicContact CE1-CD2 3.93Å; Y231-L263 HydrophobicContact CG-CD2 3.72Å; Y231-E264 CarbonylContact C-O 3.57Å; Y231-E264 WeakPolarHBondContact CA-O 3.18Å; Y231-E264 WeakPolarHBondContact CB-O 3.08Å; Y231-E265 HydrophobicContact CD1-CB 4.35Å; Y231-E265 HydrophobicContact CE1-CB 4.3Å |
| 232 | S | 91.1 | Very high | 88.7 | Confident | 29 Ų | 29 | 72.9 Ų | 72.9 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 154.1 | 172.2 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | E264 | S232-E264 PolarHBondContact N-O 3.38Å; S232-E264 PolarHBondContact O-N 3.47Å |
| 233 | L | 92 | Very high | 88.1 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 131.5 | 172 | -67.6 | 175.9 | 0 | 0 | 0 | 109 | L196 L217 F218 M221 P241 L242 L261 | L196-L233 HydrophobicContact CD1-CD2 3.3Å; L217-L233 HydrophobicContact CB-CD1 3.83Å; F218-L233 HydrophobicContact CD1-CD1 3.96Å; F218-L233 HydrophobicContact CD1-CG 4.35Å; F218-L233 HydrophobicContact CE1-CB 4.21Å; F218-L233 HydrophobicContact CE1-CD1 3.88Å; F218-L233 HydrophobicContact CE1-CG 4.04Å; F218-L233 HydrophobicContact CG-CD1 4.46Å; F218-L233 HydrophobicContact CZ-CD1 4.32Å; M221-L233 HydrophobicContact CE-CD2 3.71Å; M221-L233 HydrophobicContact CE-CG 3.85Å; M221-L233 HydrophobicContact SD-CD2 4.34Å; M221-L233 HydrophobicContact SD-CG 4.14Å; L233-P241 CarbonylContact O-C 3.57Å; L233-L242 HydrophobicContact CB-CB 4.31Å; L233-L242 HydrophobicContact CB-CD1 3.94Å; L233-L242 HydrophobicContact CB-CG 4.23Å; L233-L242 WeakPolarHBondContact O-CB 3.36Å; L233-L242 PolarHBondContact O-N 3.25Å; L233-L261 HydrophobicContact CD1-CD1 4.48Å |
| 234 | S | 92.1 | Very high | 87.3 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.1 | 178.3 | -64 | 0 | 0 | 0 | 0 | 110.8 | R240 L261 I262 E264 | S234-R240 CarbonylContact C-O 3.58Å; S234-R240 VanDerWaalsContact CA-O 3.3Å; S234-R240 WeakPolarHBondContact CA-O 3.46Å; S234-L261 CarbonylContact O-C 3.5Å; S234-L261 WeakPolarHBondContact O-CA 3.33Å; S234-I262 PolarHBondContact N-O 2.97Å; S234-I262 PolarHBondContact O-N 3.36Å; S234-E264 VanDerWaalsContact CB-OE2 3.32Å; S234-E264 WeakPolarHBondContact CB-OE2 3.42Å; S234-E264 PolarHBondContact OG-OE2 2.94Å |
| 235 | T | 91.8 | Very high | 86.5 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 157.4 | 172 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | P238 R239 R240 L242 L261 | T235-P238 PolarHBondContact OG1-O 3.25Å; T235-R239 WeakPolarHBondContact O-CA 3.49Å; T235-R240 PolarHBondContact N-O 3.41Å; T235-R240 PolarHBondContact OG1-N 3.47Å; T235-R240 PolarHBondContact OG1-O 3.11Å; T235-L242 HydrophobicContact CG2-CD2 3.93Å; T235-L261 HydrophobicContact CG2-CD2 4.35Å |
| 236 | S | 87.2 | Confident | 85.5 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -71.7 | -53.8 | 180 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | R239 V260 | S236-R239 WeakPolarHBondContact O-CG 3.47Å; S236-V260 PolarHBondContact N-O 3.16Å |
| 237 | F | 83.8 | Confident | 84.6 | Confident | 187 Ų | 187 | 75.2 Ų | 75.2 | 82% | 0.82 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -156 | 129.2 | 178.6 | -172.2 | -96.9 | 0 | 0 | 0 | 112.3 | ||
| 238 | P | 87.2 | Confident | 84.3 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | S | Bend | cis | -62.7 | 141.6 | -12.7 | 28.6 | -34.3 | 0 | 0 | 0 | 110.1 | T235 R240 | T235-P238 PolarHBondContact OG1-O 3.25Å; P238-R240 PolarHBondContact O-N 3.45Å |
| 239 | R | 87.8 | Confident | 84.4 | Confident | 175 Ų | 175 | 71.5 Ų | 71.5 | 66% | 0.66 | 40% | 0.401 | S | S | * | . | trans | -66.2 | 117.1 | -179.5 | -69.7 | -169.9 | -175.4 | -162.3 | 6.5 | 109.9 | T235 S236 E264 | T235-R239 WeakPolarHBondContact O-CA 3.49Å; S236-R239 WeakPolarHBondContact O-CG 3.47Å; R239-E264 IonicContact NH1-OE1 2.68Å | ||
| 240 | R | 88 | Confident | 84.5 | Confident | 167 Ų | 167 | 67.9 Ų | 67.9 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | trans | -139.4 | 131 | 176.8 | -66.8 | -176.9 | 178.9 | 175.1 | -0.6 | 109.1 | S234 T235 P238 | S234-R240 CarbonylContact C-O 3.58Å; S234-R240 VanDerWaalsContact CA-O 3.3Å; S234-R240 WeakPolarHBondContact CA-O 3.46Å; T235-R240 PolarHBondContact N-O 3.41Å; T235-R240 PolarHBondContact OG1-N 3.47Å; T235-R240 PolarHBondContact OG1-O 3.11Å; P238-R240 PolarHBondContact O-N 3.45Å | ||
| 241 | P | 88.6 | Confident | 84.4 | Confident | 96 Ų | 96 | 68.6 Ų | 68.6 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -68.2 | 136.3 | 172 | 29 | -33 | 0 | 0 | 0 | 109.4 | L233 A243 | L233-P241 CarbonylContact O-C 3.57Å; P241-A243 PolarHBondContact O-N 3.08Å |
| 242 | L | 86.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 122.4 | 172.6 | -60.2 | -172.1 | 0 | 0 | 0 | 108.5 | L217 F218 L233 T235 I253 I255 L261 | L217-L242 HydrophobicContact CD1-CD1 4.26Å; F218-L242 HydrophobicContact CZ-CB 4.11Å; L233-L242 HydrophobicContact CB-CB 4.31Å; L233-L242 HydrophobicContact CB-CD1 3.94Å; L233-L242 HydrophobicContact CB-CG 4.23Å; L233-L242 WeakPolarHBondContact O-CB 3.36Å; L233-L242 PolarHBondContact O-N 3.25Å; T235-L242 HydrophobicContact CG2-CD2 3.93Å; L242-I253 HydrophobicContact CD2-CG2 3.56Å; L242-I255 HydrophobicContact CD1-CD1 4.36Å; L242-L261 HydrophobicContact CD1-CD1 4.06Å; L242-L261 HydrophobicContact CD1-CD2 3.96Å |
| 243 | A | 78.1 | Confident | 84 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 136 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | P241 E245 | P241-A243 PolarHBondContact O-N 3.08Å; A243-E245 HydrophobicContact CB-CB 4.45Å; A243-E245 PolarHBondContact O-N 3.04Å |
| 244 | V | 69.9 | Low | 83.7 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 53% | 0.533 | 42% | 0.417 | S | S | . | . | trans | -78.1 | 62.7 | 168.9 | -171.1 | 0 | 0 | 0 | 0 | 107.6 | F218 I228 | F218-V244 HydrophobicContact CD1-CG2 4.12Å; F218-V244 HydrophobicContact CD2-CG1 4.47Å; F218-V244 HydrophobicContact CD2-CG2 4.29Å; F218-V244 HydrophobicContact CE1-CG2 3.68Å; F218-V244 HydrophobicContact CE2-CB 4.37Å; F218-V244 HydrophobicContact CE2-CG2 3.88Å; F218-V244 HydrophobicContact CG-CG2 4.41Å; F218-V244 HydrophobicContact CZ-CB 4.45Å; F218-V244 HydrophobicContact CZ-CG2 3.55Å; I228-V244 HydrophobicContact CG2-CG2 3.95Å | ||
| 245 | E | 70.9 | Confident | 83.4 | Confident | 112 Ų | 112 | 73.8 Ų | 73.8 | 52% | 0.523 | 42% | 0.417 | S | S | . | . | trans | -93.8 | 110.1 | 175.2 | -158.3 | 164.2 | -165.1 | 0 | 0 | 107.6 | S214 A243 G247 Q248 | S214-E245 PolarHBondContact OG-O 3.44Å; A243-E245 HydrophobicContact CB-CB 4.45Å; A243-E245 PolarHBondContact O-N 3.04Å; E245-G247 PolarHBondContact O-N 3.34Å; E245-Q248 PolarHBondContact OE2-NE2 3.43Å | ||
| 246 | G | 68 | Low | 83.2 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 53% | 0.526 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 127.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q215 | Q215-G246 VanDerWaalsContact NE2-CA 3.33Š|
| 247 | G | 70.9 | Confident | 83.3 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 67% | 0.67 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | -1 | 172 | 0 | 0 | 0 | 0 | 0 | 116.2 | E245 | E245-G247 PolarHBondContact O-N 3.34Š|
| 248 | Q | 83 | Confident | 83.6 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | trans | -80.2 | 137.2 | 168.8 | -72.3 | 174.1 | 14.9 | 0 | 0 | 110.7 | S214 E245 D252 I253 | S214-Q248 WeakPolarHBondContact CB-O 3.31Å; S214-Q248 PolarHBondContact N-O 2.97Å; S214-Q248 PolarHBondContact OG-O 2.94Å; E245-Q248 PolarHBondContact OE2-NE2 3.43Å; Q248-D252 HydrophobicContact CB-CB 4.26Å; Q248-I253 HydrophobicContact CB-CD1 4.1Å; Q248-I253 HydrophobicContact CB-CG1 3.97Å | ||
| 249 | S | 89.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 166.1 | 172.6 | 68 | 0 | 0 | 0 | 0 | 111.4 | Y212 E251 D252 I253 | Y212-S249 CarbonylContact O-C 3.16Å; Y212-S249 VanDerWaalsContact O-CA 3.3Å; Y212-S249 WeakPolarHBondContact O-CA 3.38Å; S249-E251 PolarHBondContact O-N 2.96Å; S249-E251 WeakPolarHBondContact OG-CG 3.27Å; S249-D252 WeakPolarHBondContact CB-OD2 2.93Å; S249-D252 PolarHBondContact N-OD2 2.9Å; S249-D252 PolarHBondContact O-N 3.04Å; S249-D252 PolarHBondContact OG-N 3.43Å; S249-D252 PolarHBondContact OG-OD2 3.4Å; S249-I253 PolarHBondContact O-N 3.37Å |
| 250 | L | 88.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -35.5 | 175.2 | -68.3 | -177.8 | 0 | 0 | 0 | 111.8 | F208 L209 K210 Y212 L217 I253 G254 I255 | F208-L250 HydrophobicContact CB-CD1 3.59Å; F208-L250 HydrophobicContact CG-CD1 4.3Å; L209-L250 WeakPolarHBondContact O-CD1 3.39Å; K210-L250 PolarHBondContact O-N 3.17Å; Y212-L250 PolarHBondContact O-N 2.89Å; L217-L250 HydrophobicContact CD1-CD2 3.42Å; L217-L250 VanDerWaalsContact CD1-CD2 3.42Å; L217-L250 HydrophobicContact CD2-CD2 4.39Å; L217-L250 HydrophobicContact CG-CD2 3.79Å; L250-I253 PolarHBondContact O-N 3.38Å; L250-G254 PolarHBondContact O-N 3.26Å; L250-I255 HydrophobicContact CB-CB 4.18Å; L250-I255 HydrophobicContact CB-CG2 4.42Å; L250-I255 HydrophobicContact CD2-CD1 3.98Å; L250-I255 WeakPolarHBondContact O-CA 3.37Å; L250-I255 VanDerWaalsContact O-CB 3.31Å; L250-I255 WeakPolarHBondContact O-CB 3.35Å; L250-I255 PolarHBondContact O-N 2.95Å |
| 251 | E | 87.9 | Confident | 84.3 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -40 | 175.1 | 57.6 | 180 | -173.2 | 0 | 0 | 112.7 | K210 S249 I253 G254 T256 | K210-E251 HydrophobicContact CB-CB 4.45Å; K210-E251 PolarHBondContact O-N 3.44Å; S249-E251 PolarHBondContact O-N 2.96Å; S249-E251 WeakPolarHBondContact OG-CG 3.27Å; E251-I253 PolarHBondContact O-N 2.83Å; E251-G254 WeakPolarHBondContact O-CA 3.33Å; E251-G254 PolarHBondContact O-N 3.48Å; E251-T256 HydrophobicContact CB-CG2 4.49Å |
| 252 | D | 87.4 | Confident | 84.6 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -33 | 178.7 | -64.6 | -39.4 | 0 | 0 | 0 | 112.3 | Q248 S249 G254 | Q248-D252 HydrophobicContact CB-CB 4.26Å; S249-D252 WeakPolarHBondContact CB-OD2 2.93Å; S249-D252 PolarHBondContact N-OD2 2.9Å; S249-D252 PolarHBondContact O-N 3.04Å; S249-D252 PolarHBondContact OG-N 3.43Å; S249-D252 PolarHBondContact OG-OD2 3.4Å; D252-G254 PolarHBondContact O-N 3.15Å |
| 253 | I | 85.8 | Confident | 84.9 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.9 | 177.1 | -66.6 | -178.8 | 0 | 0 | 0 | 112 | L242 Q248 S249 L250 E251 I255 | L242-I253 HydrophobicContact CD2-CG2 3.56Å; Q248-I253 HydrophobicContact CB-CD1 4.1Å; Q248-I253 HydrophobicContact CB-CG1 3.97Å; S249-I253 PolarHBondContact O-N 3.37Å; L250-I253 PolarHBondContact O-N 3.38Å; E251-I253 PolarHBondContact O-N 2.83Å; I253-I255 HydrophobicContact CG2-CD1 4.3Å; I253-I255 HydrophobicContact CG2-CG1 4.48Å |
| 254 | G | 84.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 15.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L250 E251 D252 T256 | L250-G254 PolarHBondContact O-N 3.26Å; E251-G254 WeakPolarHBondContact O-CA 3.33Å; E251-G254 PolarHBondContact O-N 3.48Å; D252-G254 PolarHBondContact O-N 3.15Å; G254-T256 VanDerWaalsContact C-N 3.28Å; G254-T256 PolarHBondContact O-N 2.86Å; G254-T256 VanDerWaalsContact O-N 3.16Å |
| 255 | I | 86.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | trans | -87.8 | 69.7 | 172.6 | -60 | 169.1 | 0 | 0 | 0 | 108.4 | V192 V194 L217 L242 L250 I253 T259 L261 | V192-I255 HydrophobicContact CG1-CG2 3.77Å; V194-I255 HydrophobicContact CG2-CG2 4.16Å; L217-I255 HydrophobicContact CD1-CD1 3.74Å; L242-I255 HydrophobicContact CD1-CD1 4.36Å; L250-I255 HydrophobicContact CB-CB 4.18Å; L250-I255 HydrophobicContact CB-CG2 4.42Å; L250-I255 HydrophobicContact CD2-CD1 3.98Å; L250-I255 WeakPolarHBondContact O-CA 3.37Å; L250-I255 VanDerWaalsContact O-CB 3.31Å; L250-I255 WeakPolarHBondContact O-CB 3.35Å; L250-I255 PolarHBondContact O-N 2.95Å; I253-I255 HydrophobicContact CG2-CD1 4.3Å; I253-I255 HydrophobicContact CG2-CG1 4.48Å; I255-T259 HydrophobicContact CB-CG2 4.46Å; I255-T259 HydrophobicContact CG1-CG2 4.42Å; I255-T259 HydrophobicContact CG2-CG2 4.12Å; I255-T259 WeakPolarHBondContact CG2-OG1 3.39Å; I255-L261 HydrophobicContact CD1-CD1 4.48Å; I255-L261 HydrophobicContact CD1-CD2 4.48Å | ||
| 256 | T | 87.8 | Confident | 87.3 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | trans | -94.2 | -22.8 | -178.2 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | K210 E251 G254 | K210-T256 VanDerWaalsContact CE-O 3.25Å; K210-T256 WeakPolarHBondContact CE-O 3.41Å; E251-T256 HydrophobicContact CB-CG2 4.49Å; G254-T256 VanDerWaalsContact C-N 3.28Å; G254-T256 PolarHBondContact O-N 2.86Å; G254-T256 VanDerWaalsContact O-N 3.16Å | ||
| 257 | V | 89.3 | Confident | 87.8 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 58% | 0.576 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -126 | 171 | -179.1 | -62.5 | 0 | 0 | 0 | 0 | 109.9 | V192 T259 | V192-V257 WeakPolarHBondContact CG1-O 3.21Å; V257-T259 HydrophobicContact CG2-CG2 4.41Å; V257-T259 WeakPolarHBondContact O-CG2 3.44Å; V257-T259 PolarHBondContact O-N 2.91Å |
| 258 | D | 91 | Very high | 87.9 | Confident | 109 Ų | 109 | 68.1 Ų | 68.1 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -53.1 | 114 | 172.8 | -71 | -11.5 | 0 | 0 | 0 | 110.5 | T193 | T193-D258 WeakPolarHBondContact CA-OD1 3.48Å; T193-D258 VanDerWaalsContact CB-OD1 3.29Å; T193-D258 WeakPolarHBondContact CB-OD1 3.16Å; T193-D258 PolarHBondContact N-OD1 3.16Å; T193-D258 VanDerWaalsContact O-CA 3.32Å; T193-D258 WeakPolarHBondContact O-CA 3.5Å; T193-D258 PolarHBondContact OG1-OD1 3.46Å |
| 259 | T | 91.1 | Very high | 86.7 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.1 | -172.3 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | T193 V194 A195 I255 V257 | T193-T259 PolarHBondContact O-N 3.44Å; T193-T259 VanDerWaalsContact O-N 3.13Å; V194-T259 WeakPolarHBondContact CA-O 3.41Å; A195-T259 PolarHBondContact N-O 3.07Å; I255-T259 HydrophobicContact CB-CG2 4.46Å; I255-T259 HydrophobicContact CG1-CG2 4.42Å; I255-T259 HydrophobicContact CG2-CG2 4.12Å; I255-T259 WeakPolarHBondContact CG2-OG1 3.39Å; V257-T259 HydrophobicContact CG2-CG2 4.41Å; V257-T259 WeakPolarHBondContact O-CG2 3.44Å; V257-T259 PolarHBondContact O-N 2.91Å |
| 260 | V | 93.1 | Very high | 84.4 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 28% | 0.279 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.3 | 172.3 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | A195 R197 S236 | A195-V260 HydrophobicContact CB-CG2 4.29Å; A195-V260 CarbonylContact O-C 3.58Å; A195-V260 WeakPolarHBondContact O-CA 3.4Å; R197-V260 HydrophobicContact CG-CG1 3.86Å; S236-V260 PolarHBondContact N-O 3.16Å |
| 261 | L | 93.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.005 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.5 | 172.9 | -59.8 | -177.8 | 0 | 0 | 0 | 109.7 | V194 A195 L196 R197 L217 L233 S234 T235 L242 I255 | V194-L261 HydrophobicContact CG1-CB 4.49Å; V194-L261 HydrophobicContact CG1-CD1 3.53Å; V194-L261 HydrophobicContact CG1-CG 3.81Å; A195-L261 PolarHBondContact O-N 3.47Å; L196-L261 CarbonylContact C-O 3.59Å; L196-L261 WeakPolarHBondContact CA-O 3.27Å; L196-L261 HydrophobicContact CD1-CB 4.05Å; R197-L261 PolarHBondContact N-O 3.24Å; L217-L261 HydrophobicContact CD1-CD1 3.82Å; L217-L261 HydrophobicContact CD2-CD1 4.37Å; L233-L261 HydrophobicContact CD1-CD1 4.48Å; S234-L261 CarbonylContact O-C 3.5Å; S234-L261 WeakPolarHBondContact O-CA 3.33Å; T235-L261 HydrophobicContact CG2-CD2 4.35Å; L242-L261 HydrophobicContact CD1-CD1 4.06Å; L242-L261 HydrophobicContact CD1-CD2 3.96Å; I255-L261 HydrophobicContact CD1-CD1 4.48Å; I255-L261 HydrophobicContact CD1-CD2 4.48Å |
| 262 | I | 93.8 | Very high | 84 | Confident | 33 Ų | 33 | 85.8 Ų | 85.8 | 17% | 0.169 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128 | 179.3 | -55.3 | 176.7 | 0 | 0 | 0 | 107.1 | S234 E264 | S234-I262 PolarHBondContact N-O 2.97Å; S234-I262 PolarHBondContact O-N 3.36Å; I262-E264 HydrophobicContact CB-CG 4.5Å; I262-E264 HydrophobicContact CG2-CG 3.8Å |
| 263 | L | 92.6 | Very high | 83.8 | Confident | 6 Ų | 6 | 84.5 Ų | 84.5 | 3% | 0.031 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 112.1 | 175.8 | -168.8 | 144 | 0 | 0 | 0 | 108.5 | L196 R197 P199 M221 Y226 Y231 | L196-L263 HydrophobicContact CD1-CB 4.15Å; L196-L263 HydrophobicContact CD1-CD1 4.32Å; L196-L263 HydrophobicContact CD2-CD1 4.01Å; L196-L263 HydrophobicContact CG-CD1 4.41Å; R197-L263 VanDerWaalsContact O-CB 3.32Å; R197-L263 WeakPolarHBondContact O-CB 3.25Å; R197-L263 PolarHBondContact O-N 3.37Å; P199-L263 HydrophobicContact CG-CD2 3.61Å; P199-L263 WeakPolarHBondContact CG-O 3.01Å; M221-L263 HydrophobicContact CE-CB 4.5Å; M221-L263 HydrophobicContact CE-CD1 3.38Å; M221-L263 HydrophobicContact CE-CD2 4.29Å; M221-L263 HydrophobicContact CE-CG 3.42Å; M221-L263 VanDerWaalsContact CE-CG 3.42Å; M221-L263 HydrophobicContact CG-CD1 3.72Å; M221-L263 HydrophobicContact SD-CD1 4.43Å; Y226-L263 HydrophobicContact CD1-CD1 4.31Å; Y226-L263 HydrophobicContact CD1-CD2 3.54Å; Y226-L263 HydrophobicContact CD2-CD1 3.65Å; Y226-L263 HydrophobicContact CD2-CD2 4.27Å; Y226-L263 HydrophobicContact CE1-CD2 3.87Å; Y226-L263 HydrophobicContact CE2-CD1 4.29Å; Y226-L263 HydrophobicContact CG-CD1 3.67Å; Y226-L263 HydrophobicContact CG-CD2 3.77Å; Y226-L263 HydrophobicContact CG-CG 4.4Å; Y231-L263 HydrophobicContact CD1-CD2 3.32Å; Y231-L263 HydrophobicContact CD1-CG 4.44Å; Y231-L263 HydrophobicContact CE1-CD2 3.93Å; Y231-L263 HydrophobicContact CG-CD2 3.72Å |
| 264 | E | 90.9 | Very high | 83.7 | Confident | 61 Ų | 61 | 87.2 Ų | 87.2 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147.3 | -174.7 | -64.4 | -177.2 | 154.1 | 0 | 0 | 109.9 | Y231 S232 S234 R239 I262 | Y231-E264 CarbonylContact C-O 3.57Å; Y231-E264 WeakPolarHBondContact CA-O 3.18Å; Y231-E264 WeakPolarHBondContact CB-O 3.08Å; S232-E264 PolarHBondContact N-O 3.38Å; S232-E264 PolarHBondContact O-N 3.47Å; S234-E264 VanDerWaalsContact CB-OE2 3.32Å; S234-E264 WeakPolarHBondContact CB-OE2 3.42Å; S234-E264 PolarHBondContact OG-OE2 2.94Å; R239-E264 IonicContact NH1-OE1 2.68Å; I262-E264 HydrophobicContact CB-CG 4.5Å; I262-E264 HydrophobicContact CG2-CG 3.8Å |
| 265 | E | 90.7 | Very high | 83.6 | Confident | 147 Ų | 147 | 89.6 Ų | 89.6 | 69% | 0.687 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.5 | 173.3 | -171.7 | 172.1 | -173.3 | 0 | 0 | 108.9 | Y231 E267 | Y231-E265 HydrophobicContact CD1-CB 4.35Å; Y231-E265 HydrophobicContact CE1-CB 4.3Å; E265-E267 PolarHBondContact O-N 3.32Å |
| 266 | K | 87.8 | Confident | 83.4 | Confident | 117 Ų | 117 | 95.4 Ų | 95.4 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 122.4 | 179.8 | -171.1 | 177.4 | -179.4 | 178.5 | 0 | 108.5 | L230 Q268 | L230-K266 PolarHBondContact O-N 2.92Å; K266-Q268 PolarHBondContact O-N 2.69Å |
| 267 | E | 79.3 | Confident | 83.1 | Confident | 180 Ų | 180 | 97.1 Ų | 97.1 | 84% | 0.841 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 120.5 | 172.5 | -67.6 | -173.8 | 171.2 | 0 | 0 | 109.3 | E265 T269 | E265-E267 PolarHBondContact O-N 3.32Å; E267-T269 PolarHBondContact O-N 3.09Å; E267-T269 VanDerWaalsContact O-N 3.11Å |
| 268 | Q | 72.4 | Confident | 82.6 | Confident | 161 Ų | 161 | 97.2 Ų | 97.2 | 75% | 0.752 | 50% | 0.495 | S | S | * | . | trans | -70.9 | 106.3 | 172.8 | -70.1 | 176.9 | 13.4 | 0 | 0 | 107.7 | K266 N270 | K266-Q268 PolarHBondContact O-N 2.69Å; Q268-N270 PolarHBondContact O-N 3.13Å; Q268-N270 VanDerWaalsContact O-N 3.1Å | ||
| 269 | T | 58.3 | Low | 81.9 | Confident | 139 Ų | 139 | 96.3 Ų | 96.3 | 85% | 0.853 | 49% | 0.487 | S | S | * | . | trans | -65.8 | 106.7 | 167.9 | 49.3 | 0 | 0 | 0 | 0 | 108 | E267 | E267-T269 PolarHBondContact O-N 3.09Å; E267-T269 VanDerWaalsContact O-N 3.11Å | ||
| 270 | N | 40 | Very low | 81.1 | Confident | 235 Ų | 235 | 102.4 Ų | 102.4 | 100% | 1.257 | 52% | 0.515 | S | S | * | . | trans | -69 | 0 | 166.2 | -103.3 | -40.1 | 0 | 0 | 0 | 111 | Q268 | Q268-N270 PolarHBondContact O-N 3.13Å; Q268-N270 VanDerWaalsContact O-N 3.1Å |
Retrieved 270 of 270 residues in 380.4 ms
(Link to these results)