| 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 | 31.3 | Very low | 36.9 | Very low | 171 Ų | 171 | 98.4 Ų | 98.4 | 84% | 0.842 | 52% | 0.52 | S | S | * | . | 0 | 110.2 | 0 | -74.6 | 170.1 | -177.9 | 0 | 0 | 109.3 | A3 | M1-A3 PolarHBondContact O-N 2.77Š| |||
| 2 | L | 30.8 | Very low | 37.4 | Very low | 127 Ų | 127 | 100.2 Ų | 100.2 | 67% | 0.665 | 54% | 0.542 | S | S | * | . | trans | -67.9 | 93.3 | 158.5 | -100.5 | 140.9 | 0 | 0 | 0 | 105.2 | L4 | L2-L4 PolarHBondContact O-N 3.15Š| ||
| 3 | A | 32.6 | Very low | 37.7 | Very low | 76 Ų | 76 | 103.5 Ų | 103.5 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | trans | -62 | 102.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | M1 K5 | M1-A3 PolarHBondContact O-N 2.77Å; A3-K5 HydrophobicContact CB-CG 4.39Å; A3-K5 PolarHBondContact O-N 2.93Å | ||
| 4 | L | 40.6 | Very low | 38 | Very low | 48 Ų | 48 | 99.4 Ų | 99.4 | 25% | 0.251 | 53% | 0.527 | S | S | . | . | trans | -67.4 | 57.7 | 166.7 | -91.6 | 157.7 | 0 | 0 | 0 | 109 | L2 N6 A7 L10 L360 | L2-L4 PolarHBondContact O-N 3.15Å; L4-N6 PolarHBondContact O-N 2.93Å; L4-A7 HydrophobicContact CB-CB 4.06Å; L4-A7 HydrophobicContact CD2-CB 4.36Å; L4-A7 PolarHBondContact O-N 3.15Å; L4-L10 HydrophobicContact CD2-CD1 3.55Å; L4-L360 HydrophobicContact CD1-CD2 3.96Å | ||
| 5 | K | 39.8 | Very low | 38.1 | Very low | 191 Ų | 191 | 105 Ų | 105 | 83% | 0.83 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -11.8 | 174.1 | -93 | -175.4 | 174.9 | 179.9 | 0 | 112.5 | A3 | A3-K5 HydrophobicContact CB-CG 4.39Å; A3-K5 PolarHBondContact O-N 2.93Å |
| 6 | N | 38.2 | Very low | 38.3 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 59% | 0.594 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 17.4 | 179.9 | -66.6 | -18.3 | 0 | 0 | 0 | 114.4 | L4 K8 T9 | L4-N6 PolarHBondContact O-N 2.93Å; N6-K8 PolarHBondContact O-N 2.94Å; N6-K8 VanDerWaalsContact O-N 3.08Å; N6-T9 PolarHBondContact O-N 2.68Å; N6-T9 PolarHBondContact O-OG1 3.26Å |
| 7 | A | 37.4 | Very low | 38.7 | Very low | 11 Ų | 11 | 105.2 Ų | 105.2 | 9% | 0.091 | 54% | 0.538 | C | S | . | . | G | 310 helix | trans | -49.7 | -38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L4 T9 L10 V67 | L4-A7 HydrophobicContact CB-CB 4.06Å; L4-A7 HydrophobicContact CD2-CB 4.36Å; L4-A7 PolarHBondContact O-N 3.15Å; A7-T9 PolarHBondContact O-N 3.33Å; A7-T9 VanDerWaalsContact O-N 3.12Å; A7-L10 PolarHBondContact O-N 3.48Å; A7-L10 VanDerWaalsContact O-N 3.11Å; A7-V67 HydrophobicContact CB-CG2 4.42Å |
| 8 | K | 37.4 | Very low | 38.9 | Very low | 143 Ų | 143 | 108.2 Ų | 108.2 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -58.8 | -24.8 | 176.6 | -78.2 | -171.9 | 176.4 | -176.3 | 0 | 114.3 | N6 | N6-K8 PolarHBondContact O-N 2.94Å; N6-K8 VanDerWaalsContact O-N 3.08Å |
| 9 | T | 41.5 | Very low | 39.4 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -87.9 | -14.5 | 180 | 57 | 0 | 0 | 0 | 0 | 114 | N6 A7 C11 | N6-T9 PolarHBondContact O-N 2.68Å; N6-T9 PolarHBondContact O-OG1 3.26Å; A7-T9 PolarHBondContact O-N 3.33Å; A7-T9 VanDerWaalsContact O-N 3.12Å; T9-C11 VanDerWaalsContact C-N 3.35Å; T9-C11 PolarHBondContact O-N 3.06Å |
| 10 | L | 38.4 | Very low | 40.3 | Very low | 74 Ų | 74 | 114 Ų | 114 | 39% | 0.387 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -83.8 | -6.8 | -173.9 | -78.9 | 155.8 | 0 | 0 | 0 | 114 | L4 A7 S356 | L4-L10 HydrophobicContact CD2-CD1 3.55Å; A7-L10 PolarHBondContact O-N 3.48Å; A7-L10 VanDerWaalsContact O-N 3.11Å; L10-S356 WeakPolarHBondContact CD2-OG 3.28Å; L10-S356 PolarHBondContact O-OG 3.34Å |
| 11 | C | 38.3 | Very low | 41.8 | Very low | 20 Ų | 20 | 109.9 Ų | 109.9 | 14% | 0.135 | 55% | 0.55 | C | S | . | * | trans | -133.6 | 102.3 | 176.3 | -111.9 | 0 | 0 | 0 | 0 | 111.8 | T9 H13 H14 S354 | T9-C11 VanDerWaalsContact C-N 3.35Å; T9-C11 PolarHBondContact O-N 3.06Å; C11-H13 PolarHBondContact O-N 2.76Å; C11-H13 VanDerWaalsContact O-N 3.11Å; C11-H14 WeakPolarHBondContact O-CB 3.18Å; C11-H14 PolarHBondContact O-N 3.06Å; C11-S354 WeakPolarHBondContact SG-CB 3.5Å | ||
| 12 | P | 42 | Very low | 43.8 | Very low | 120 Ų | 120 | 105.1 Ų | 105.1 | 78% | 0.779 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -62 | -18.4 | 176.1 | -19.1 | 30.2 | 0 | 0 | 0 | 113.7 | H14 | P12-H14 VanDerWaalsContact C-N 3.3Å; P12-H14 PolarHBondContact O-N 3.04Å |
| 13 | H | 42 | Very low | 46.1 | Very low | 144 Ų | 144 | 101.5 Ų | 101.5 | 67% | 0.667 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -80.6 | -3 | 179.3 | -69.7 | -60.3 | 0 | 0 | 0 | 114.6 | C11 K15 K16 | C11-H13 PolarHBondContact O-N 2.76Å; C11-H13 VanDerWaalsContact O-N 3.11Å; H13-K15 PolarHBondContact O-N 2.07Å; H13-K15 VanDerWaalsContact O-N 3.12Å; H13-K16 PolarHBondContact O-N 3.28Å |
| 14 | H | 42.2 | Very low | 48.6 | Very low | 45 Ų | 45 | 106.7 Ų | 106.7 | 21% | 0.208 | 52% | 0.521 | C | S | . | . | G | 310 helix | trans | -56.8 | -31.1 | -178.6 | -122 | -74.5 | 0 | 0 | 0 | 114.2 | C11 P12 K16 V17 V67 | C11-H14 WeakPolarHBondContact O-CB 3.18Å; C11-H14 PolarHBondContact O-N 3.06Å; P12-H14 VanDerWaalsContact C-N 3.3Å; P12-H14 PolarHBondContact O-N 3.04Å; H14-K16 PolarHBondContact O-N 2.72Å; H14-K16 VanDerWaalsContact O-N 3.1Å; H14-V17 PolarHBondContact O-N 2.85Å; H14-V67 WeakPolarHBondContact NE2-CG1 3.44Å |
| 15 | K | 39.6 | Very low | 51 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 80% | 0.8 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -62.3 | -18.4 | -178.1 | -84.5 | -172.2 | 174.8 | -177.7 | 0 | 114.6 | H13 | H13-K15 PolarHBondContact O-N 2.07Å; H13-K15 VanDerWaalsContact O-N 3.12Å |
| 16 | K | 40.8 | Very low | 53.5 | Low | 190 Ų | 190 | 100.3 Ų | 100.3 | 83% | 0.826 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -89.8 | -14.4 | 174.2 | -84.3 | -172.5 | 175.1 | -177 | 0 | 113.9 | H13 H14 | H13-K16 PolarHBondContact O-N 3.28Å; H14-K16 PolarHBondContact O-N 2.72Å; H14-K16 VanDerWaalsContact O-N 3.1Å |
| 17 | V | 45.5 | Very low | 56.1 | Low | 24 Ų | 24 | 98 Ų | 98 | 15% | 0.145 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -1.8 | -175.6 | -164.2 | 0 | 0 | 0 | 0 | 112.1 | H14 Q19 F68 Y347 V350 | H14-V17 PolarHBondContact O-N 2.85Å; V17-Q19 CarbonylContact O-C 3.1Å; V17-Q19 PolarHBondContact O-N 2.99Å; V17-F68 HydrophobicContact CG1-CE1 3.97Å; V17-Y347 HydrophobicContact CG1-CD1 3.93Å; V17-Y347 HydrophobicContact CG1-CE1 4.22Å; V17-V350 HydrophobicContact CG2-CG1 3.78Å |
| 18 | E | 42 | Very low | 58.7 | Low | 158 Ų | 158 | 97.5 Ų | 97.5 | 74% | 0.738 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 0.9 | 171.9 | -72.3 | -175.9 | 171.1 | 0 | 0 | 113.9 | Q20 | E18-Q20 PolarHBondContact O-N 3.22Š|
| 19 | Q | 48.1 | Very low | 61.3 | Low | 161 Ų | 161 | 90.7 Ų | 90.7 | 75% | 0.752 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -65 | 87.6 | 153.6 | -76.3 | -171.2 | -7.2 | 0 | 0 | 108.3 | V17 F21 Y347 | V17-Q19 CarbonylContact O-C 3.1Å; V17-Q19 PolarHBondContact O-N 2.99Å; Q19-F21 PolarHBondContact O-N 2.79Å; Q19-Y347 PolarHBondContact O-OH 3.28Å |
| 20 | Q | 58.1 | Low | 63.6 | Low | 172 Ų | 172 | 85.5 Ų | 85.5 | 80% | 0.804 | 41% | 0.409 | S | S | * | . | trans | -17.1 | 112.9 | -177 | -83.3 | 171.9 | -30.9 | 0 | 0 | 113.3 | E18 P22 | E18-Q20 PolarHBondContact O-N 3.22Å; Q20-P22 WeakPolarHBondContact O-CD 3.34Å | ||
| 21 | F | 70.5 | Confident | 65.8 | Low | 27 Ų | 27 | 82.1 Ų | 82.1 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | trans | -50.6 | 113 | 167.8 | -167.3 | -92.8 | 0 | 0 | 0 | 107.6 | Q19 Y23 V26 F68 V70 L344 Y347 | Q19-F21 PolarHBondContact O-N 2.79Å; F21-Y23 HydrophobicContact CD1-CD2 4.02Å; F21-Y23 HydrophobicContact CD1-CG 4.39Å; F21-Y23 AromaticContact CE1-CD2 3.75Å; F21-Y23 HydrophobicContact CE1-CD2 3.75Å; F21-Y23 HydrophobicContact CE1-CG 4.05Å; F21-Y23 HydrophobicContact CZ-CD2 4.28Å; F21-Y23 PolarHBondContact O-N 2.93Å; F21-V26 HydrophobicContact CE1-CG2 4Å; F21-F68 HydrophobicContact CB-CD1 4.21Å; F21-F68 HydrophobicContact CD1-CB 4.46Å; F21-F68 HydrophobicContact CD2-CB 4.32Å; F21-F68 AromaticContact CD2-CD1 3.36Å; F21-F68 HydrophobicContact CD2-CD1 3.36Å; F21-F68 HydrophobicContact CD2-CD2 4.23Å; F21-F68 AromaticContact CD2-CE1 3.61Å; F21-F68 HydrophobicContact CD2-CE1 3.61Å; F21-F68 HydrophobicContact CD2-CE2 4.43Å; F21-F68 AromaticContact CD2-CG 3.72Å; F21-F68 HydrophobicContact CD2-CG 3.72Å; F21-F68 HydrophobicContact CD2-CZ 4.15Å; F21-F68 HydrophobicContact CE2-CB 4.45Å; F21-F68 AromaticContact CE2-CD1 3.8Å; F21-F68 HydrophobicContact CE2-CD1 3.8Å; F21-F68 AromaticContact CE2-CD2 3.79Å; F21-F68 HydrophobicContact CE2-CD2 3.79Å; F21-F68 AromaticContact CE2-CE1 3.91Å; F21-F68 HydrophobicContact CE2-CE1 3.91Å; F21-F68 AromaticContact CE2-CE2 3.91Å; F21-F68 HydrophobicContact CE2-CE2 3.91Å; F21-F68 AromaticContact CE2-CG 3.74Å; F21-F68 HydrophobicContact CE2-CG 3.74Å; F21-F68 AromaticContact CE2-CZ 3.97Å; F21-F68 HydrophobicContact CE2-CZ 3.97Å; F21-F68 HydrophobicContact CG-CB 4.29Å; F21-F68 AromaticContact CG-CD1 3.94Å; F21-F68 HydrophobicContact CG-CD1 3.94Å; F21-F68 HydrophobicContact CG-CG 4.17Å; F21-F68 HydrophobicContact CZ-CD2 4.19Å; F21-F68 HydrophobicContact CZ-CG 4.23Å; F21-V70 HydrophobicContact CD1-CG2 3.61Å; F21-V70 HydrophobicContact CE1-CG2 4.02Å; F21-V70 HydrophobicContact CG-CG2 4.44Å; F21-L344 HydrophobicContact CE1-CD1 4.3Å; F21-L344 HydrophobicContact CE2-CD1 4.19Å; F21-L344 HydrophobicContact CZ-CD1 3.49Å; F21-L344 VanDerWaalsContact CZ-CD1 3.49Å; F21-Y347 HydrophobicContact CD2-CD1 4.03Å; F21-Y347 AromaticContact CD2-CD2 3.85Å; F21-Y347 HydrophobicContact CD2-CD2 3.85Å; F21-Y347 HydrophobicContact CD2-CE2 4.46Å; F21-Y347 AromaticContact CD2-CG 3.63Å; F21-Y347 HydrophobicContact CD2-CG 3.63Å; F21-Y347 VanDerWaalsContact CE2-CB 3.41Å; F21-Y347 AromaticContact CE2-CD2 3.99Å; F21-Y347 HydrophobicContact CE2-CD2 3.99Å; F21-Y347 AromaticContact CE2-CG 3.8Å; F21-Y347 HydrophobicContact CE2-CG 3.8Å | ||
| 22 | P | 73.5 | Confident | 67.8 | Low | 71 Ų | 71 | 82 Ų | 82 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -81.5 | 17 | -159 | 32.7 | -37.9 | 0 | 0 | 0 | 113.6 | Q20 K343 Y347 | Q20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-K343 HydrophobicContact CG-CD 4.29Å; P22-Y347 HydrophobicContact CG-CE2 4.02Å |
| 23 | Y | 80.5 | Confident | 69.7 | Low | 51 Ų | 51 | 76.8 Ų | 76.8 | 20% | 0.2 | 36% | 0.356 | C | S | . | . | trans | -107.4 | 122.3 | -177.4 | -70.2 | -95.4 | 0 | 0 | 0 | 109.3 | F21 K25 V26 V70 S341 L344 | F21-Y23 HydrophobicContact CD1-CD2 4.02Å; F21-Y23 HydrophobicContact CD1-CG 4.39Å; F21-Y23 AromaticContact CE1-CD2 3.75Å; F21-Y23 HydrophobicContact CE1-CD2 3.75Å; F21-Y23 HydrophobicContact CE1-CG 4.05Å; F21-Y23 HydrophobicContact CZ-CD2 4.28Å; F21-Y23 PolarHBondContact O-N 2.93Å; Y23-K25 VanDerWaalsContact C-N 3.32Å; Y23-V26 HydrophobicContact CG-CG2 4.43Å; Y23-V70 WeakPolarHBondContact O-CG1 3.32Å; Y23-S341 VanDerWaalsContact OH-CB 3.32Å; Y23-S341 WeakPolarHBondContact OH-CB 3.21Å; Y23-S341 PolarHBondContact OH-OG 2.94Å; Y23-S341 VanDerWaalsContact OH-OG 3.13Å; Y23-L344 HydrophobicContact CD2-CD1 4.4Å; Y23-L344 HydrophobicContact CE2-CB 4.18Å; Y23-L344 HydrophobicContact CE2-CD1 4.13Å | ||
| 24 | E | 84.6 | Confident | 71.5 | Confident | 185 Ų | 185 | 73 Ų | 73 | 86% | 0.864 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -74.1 | -26.5 | 172.7 | -67.4 | -176.1 | 168.1 | 0 | 0 | 112.3 | P71 | E24-P71 WeakPolarHBondContact O-CD 3.48Š|
| 25 | K | 91.6 | Very high | 73.2 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | trans | -152.9 | 156.7 | 170.8 | 64 | 174.3 | -176.9 | 169.4 | 0 | 109.5 | Y23 P71 E73 | Y23-K25 VanDerWaalsContact C-N 3.32Å; K25-P71 CarbonylContact C-O 3.55Å; K25-P71 WeakPolarHBondContact CA-O 3.27Å; K25-P71 HydrophobicContact CB-CB 4.35Å; K25-E73 WeakPolarHBondContact CE-OE2 3.41Å; K25-E73 IonicContact NZ-OE2 3.34Å; K25-E73 PolarHBondContact NZ-OE2 3.06Å | ||
| 26 | V | 91.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.6 | 173.5 | 179 | 0 | 0 | 0 | 0 | 108.9 | F21 Y23 I28 V64 V70 P71 V72 E73 D93 L94 | F21-V26 HydrophobicContact CE1-CG2 4Å; Y23-V26 HydrophobicContact CG-CG2 4.43Å; V26-I28 HydrophobicContact CG1-CG1 4.04Å; V26-V64 HydrophobicContact CB-CG1 3.84Å; V26-V64 HydrophobicContact CG1-CG1 4.41Å; V26-V64 HydrophobicContact CG2-CG1 3.74Å; V26-V70 HydrophobicContact CG2-CG1 3.96Å; V26-P71 PolarHBondContact N-O 3.26Å; V26-V72 WeakPolarHBondContact O-CA 3.39Å; V26-E73 PolarHBondContact O-N 3.25Å; V26-D93 HydrophobicContact CG1-CB 4.15Å; V26-L94 HydrophobicContact CG1-CB 4.18Å; V26-L94 HydrophobicContact CG1-CD2 4.32Å |
| 27 | R | 92.4 | Very high | 77.5 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 24% | 0.242 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114.8 | 174.4 | -64.4 | 164.8 | -64.1 | 162.7 | 5.6 | 109.5 | E73 V75 N90 S91 A92 D93 L94 | R27-E73 CarbonylContact C-O 3.56Å; R27-E73 VanDerWaalsContact CA-O 3.23Å; R27-E73 WeakPolarHBondContact CA-O 3.42Å; R27-E73 HydrophobicContact CG-CB 4.18Å; R27-E73 HydrophobicContact CG-CG 4.45Å; R27-V75 HydrophobicContact CB-CG2 4.17Å; R27-N90 PolarHBondContact NH1-O 2.89Å; R27-N90 PolarHBondContact NH2-O 3.1Å; R27-S91 PolarHBondContact NH1-O 3.48Å; R27-A92 HydrophobicContact CB-CB 4.27Å; R27-D93 WeakPolarHBondContact CB-OD2 3.28Å; R27-D93 IonicContact CZ-OD1 3.71Å; R27-D93 IonicContact CZ-OD2 2.68Å; R27-D93 PolarHBondContact N-OD2 2.98Å; R27-D93 IonicContact NE-OD1 2.65Å; R27-D93 IonicContact NE-OD2 2.99Å; R27-D93 PolarHBondContact NE-OD2 3.02Å; R27-D93 IonicContact NH2-OD1 3.53Å; R27-D93 PolarHBondContact NH2-OD1 3.05Å; R27-D93 IonicContact NH2-OD2 3.45Å; R27-D93 PolarHBondContact O-N 2.98Å; R27-L94 PolarHBondContact O-N 2.82Å |
| 28 | I | 92.2 | Very high | 78.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.7 | 179.9 | -55.2 | -175 | 0 | 0 | 0 | 108.6 | V26 I60 V64 V72 E73 W74 V75 L94 | V26-I28 HydrophobicContact CG1-CG1 4.04Å; I28-I60 HydrophobicContact CD1-CG1 4.5Å; I28-I60 HydrophobicContact CD1-CG2 4Å; I28-I60 HydrophobicContact CG2-CG2 4.29Å; I28-V64 HydrophobicContact CD1-CG2 4.31Å; I28-V72 HydrophobicContact CB-CG1 4.33Å; I28-V72 HydrophobicContact CD1-CG1 3.56Å; I28-V72 HydrophobicContact CD1-CG2 4.16Å; I28-V72 HydrophobicContact CG1-CG1 3.85Å; I28-E73 PolarHBondContact N-O 3.33Å; I28-W74 HydrophobicContact CB-CD2 4.32Å; I28-W74 HydrophobicContact CB-CE3 3.88Å; I28-W74 HydrophobicContact CB-CH2 4.42Å; I28-W74 HydrophobicContact CB-CZ3 3.96Å; I28-W74 HydrophobicContact CG2-CE3 3.78Å; I28-W74 HydrophobicContact CG2-CH2 3.88Å; I28-W74 HydrophobicContact CG2-CZ3 3.37Å; I28-W74 CarbonylContact O-C 3.46Å; I28-W74 WeakPolarHBondContact O-CA 3.37Å; I28-V75 PolarHBondContact O-N 2.83Å; I28-L94 CarbonylContact C-O 3.55Å; I28-L94 VanDerWaalsContact CA-O 3.3Å; I28-L94 WeakPolarHBondContact CA-O 3.18Å; I28-L94 HydrophobicContact CD1-CD2 4.21Å; I28-L94 HydrophobicContact CG1-CB 4.34Å; I28-L94 HydrophobicContact CG1-CD2 4.28Å |
| 29 | V | 91.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.4 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | V75 A77 M83 I86 L87 A92 L94 A95 G96 | V29-V75 CarbonylContact C-O 3.46Å; V29-V75 VanDerWaalsContact CA-O 3.26Å; V29-V75 WeakPolarHBondContact CA-O 3.45Å; V29-V75 HydrophobicContact CB-CB 4.09Å; V29-V75 HydrophobicContact CB-CG1 4.47Å; V29-V75 HydrophobicContact CG2-CB 4.33Å; V29-V75 HydrophobicContact CG2-CG1 4.29Å; V29-A77 HydrophobicContact CG2-CB 3.79Å; V29-M83 HydrophobicContact CB-CG 4.16Å; V29-M83 HydrophobicContact CG1-CG 3.51Å; V29-M83 HydrophobicContact CG1-SD 4.24Å; V29-M83 HydrophobicContact CG2-CB 4.16Å; V29-M83 HydrophobicContact CG2-CG 3.75Å; V29-I86 HydrophobicContact CB-CG2 4.07Å; V29-I86 HydrophobicContact CG1-CG2 4.35Å; V29-I86 HydrophobicContact CG2-CB 4.2Å; V29-I86 HydrophobicContact CG2-CD1 3.83Å; V29-I86 HydrophobicContact CG2-CG2 3.93Å; V29-L87 HydrophobicContact CG1-CD1 4.26Å; V29-L87 HydrophobicContact CG1-CD2 3.78Å; V29-L87 HydrophobicContact CG1-CG 3.75Å; V29-A92 HydrophobicContact CB-CB 3.58Å; V29-A92 HydrophobicContact CG1-CB 3.56Å; V29-L94 WeakPolarHBondContact CG1-O 3.4Å; V29-L94 PolarHBondContact N-O 3.01Å; V29-A95 CarbonylContact O-C 3.56Å; V29-G96 PolarHBondContact O-N 3.46Å |
| 30 | A | 89.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 168.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T37 F41 W74 V75 A77 | A30-T37 HydrophobicContact CB-CG2 4.04Å; A30-F41 HydrophobicContact CB-CE1 4.19Å; A30-F41 HydrophobicContact CB-CE2 4.37Å; A30-F41 HydrophobicContact CB-CZ 3.89Å; A30-F41 WeakPolarHBondContact O-CE1 3.47Å; A30-W74 HydrophobicContact CB-CE3 4.19Å; A30-W74 HydrophobicContact CB-CZ3 3.9Å; A30-V75 PolarHBondContact N-O 2.99Å; A30-A77 PolarHBondContact O-N 3.32Å |
| 31 | F | 85.2 | Confident | 81.8 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | trans | -132.9 | 157.6 | 172.9 | 69.7 | -84.7 | 0 | 0 | 0 | 109.8 | S33 T37 A77 Y80 M83 T97 | F31-S33 PolarHBondContact O-N 2.89Å; F31-T37 VanDerWaalsContact O-CB 3.23Å; F31-T37 WeakPolarHBondContact O-CB 3.11Å; F31-T37 PolarHBondContact O-OG1 2.9Å; F31-A77 WeakPolarHBondContact CA-O 3.28Å; F31-A77 HydrophobicContact CB-CB 4.38Å; F31-A77 WeakPolarHBondContact CB-O 3.13Å; F31-Y80 AromaticContact CE1-CD1 3.73Å; F31-Y80 HydrophobicContact CE1-CD1 3.73Å; F31-Y80 AromaticContact CE1-CD2 3.87Å; F31-Y80 HydrophobicContact CE1-CD2 3.87Å; F31-Y80 AromaticContact CE1-CE1 3.78Å; F31-Y80 HydrophobicContact CE1-CE1 3.78Å; F31-Y80 AromaticContact CE1-CE2 3.94Å; F31-Y80 HydrophobicContact CE1-CE2 3.94Å; F31-Y80 AromaticContact CE1-CG 3.78Å; F31-Y80 HydrophobicContact CE1-CG 3.78Å; F31-Y80 AromaticContact CE1-CZ 3.88Å; F31-Y80 HydrophobicContact CZ-CD1 4.25Å; F31-Y80 AromaticContact CZ-CD2 3.6Å; F31-Y80 HydrophobicContact CZ-CD2 3.6Å; F31-Y80 HydrophobicContact CZ-CE1 4.1Å; F31-Y80 AromaticContact CZ-CE2 3.44Å; F31-Y80 HydrophobicContact CZ-CE2 3.44Å; F31-Y80 VanDerWaalsContact CZ-CE2 3.44Å; F31-Y80 HydrophobicContact CZ-CG 4.02Å; F31-Y80 AromaticContact CZ-CZ 3.7Å; F31-M83 HydrophobicContact CD1-CE 4.14Å; F31-M83 HydrophobicContact CE1-CE 3.97Å; F31-T97 HydrophobicContact CE1-CG2 4.46Å | ||
| 32 | P | 81 | Confident | 81.6 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | trans | -62.6 | 118.2 | 176.4 | -9.4 | 18.1 | 0 | 0 | 0 | 111.5 | F41 Y42 Y76 | P32-F41 HydrophobicContact CB-CB 4.3Å; P32-F41 HydrophobicContact CG-CB 3.99Å; P32-Y42 HydrophobicContact CB-CD2 3.95Å; P32-Y42 HydrophobicContact CB-CE1 4.46Å; P32-Y42 HydrophobicContact CB-CE2 3.59Å; P32-Y42 HydrophobicContact CG-CD1 3.83Å; P32-Y42 HydrophobicContact CG-CD2 3.82Å; P32-Y42 HydrophobicContact CG-CE1 3.72Å; P32-Y42 HydrophobicContact CG-CE2 3.69Å; P32-Y42 HydrophobicContact CG-CG 3.87Å; P32-Y76 HydrophobicContact CG-CE2 4.13Å | ||
| 33 | S | 80.9 | Confident | 81.1 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -155.7 | 89.6 | 179.8 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | F31 Y36 T37 | F31-S33 PolarHBondContact O-N 2.89Å; S33-Y36 CarbonylContact O-C 3.58Å; S33-Y36 WeakPolarHBondContact O-CA 3.35Å; S33-Y36 WeakPolarHBondContact O-CB 3.17Å; S33-Y36 PolarHBondContact O-N 2.76Å; S33-T37 CarbonylContact C-O 3.59Å; S33-T37 WeakPolarHBondContact CB-OG1 3.36Å; S33-T37 PolarHBondContact N-O 2.94Å; S33-T37 PolarHBondContact N-OG1 2.82Å; S33-T37 PolarHBondContact O-N 3.36Å; S33-T37 PolarHBondContact O-OG1 3Å |
| 34 | R | 79.3 | Confident | 80 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 141.5 | 177.9 | -78.4 | -175.8 | -78.2 | 153.9 | -7.7 | 110 | T37 V288 D289 F313 | R34-T37 PolarHBondContact N-O 3.06Å; R34-V288 HydrophobicContact CB-CG2 4.07Å; R34-D289 IonicContact CZ-OD1 2.68Å; R34-D289 IonicContact CZ-OD2 3.38Å; R34-D289 IonicContact NH1-OD1 3.01Å; R34-D289 PolarHBondContact NH1-OD1 3.12Å; R34-D289 IonicContact NH1-OD2 3.71Å; R34-D289 PolarHBondContact NH1-OD2 3.19Å; R34-D289 VanDerWaalsContact NH2-CG 3.28Å; R34-D289 IonicContact NH2-OD1 3.31Å; R34-D289 PolarHBondContact NH2-OD1 2.91Å; R34-D289 IonicContact NH2-OD2 3.14Å; R34-D289 PolarHBondContact NH2-OD2 3.25Å; R34-F313 HydrophobicContact CB-CE2 4.12Å; R34-F313 HydrophobicContact CB-CZ 4.28Å |
| 35 | P | 79.9 | Confident | 78.7 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.1 | -2 | 1.8 | 36 | -39 | 0 | 0 | 0 | 115.1 | G54 A55 F313 N369 | P35-G54 WeakPolarHBondContact O-CA 3.2Å; P35-A55 PolarHBondContact O-N 2.81Å; P35-F313 HydrophobicContact CB-CD2 4.22Å; P35-N369 WeakPolarHBondContact CB-OD1 3.45Å; P35-N369 WeakPolarHBondContact CG-OD1 3.35Å |
| 36 | Y | 85 | Confident | 77.3 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -38.2 | -171.9 | -48.4 | -72.4 | 0 | 0 | 0 | 114 | S33 G54 A55 D56 A57 E309 L365 | S33-Y36 CarbonylContact O-C 3.58Å; S33-Y36 WeakPolarHBondContact O-CA 3.35Å; S33-Y36 WeakPolarHBondContact O-CB 3.17Å; S33-Y36 PolarHBondContact O-N 2.76Å; Y36-G54 CarbonylContact O-C 3.49Å; Y36-G54 WeakPolarHBondContact O-CA 3.48Å; Y36-A55 PolarHBondContact O-N 3.06Å; Y36-D56 PolarHBondContact O-N 3.19Å; Y36-A57 PolarHBondContact O-N 2.88Å; Y36-E309 WeakPolarHBondContact CE1-OE1 3.15Å; Y36-E309 VanDerWaalsContact CZ-OE1 3.23Å; Y36-E309 PolarHBondContact OH-OE1 3.07Å; Y36-L365 HydrophobicContact CE1-CD2 4.14Å |
| 37 | T | 83.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -144.2 | 126.3 | -179 | 30.8 | 0 | 0 | 0 | 0 | 109.2 | A30 F31 S33 R34 A57 | A30-T37 HydrophobicContact CB-CG2 4.04Å; F31-T37 VanDerWaalsContact O-CB 3.23Å; F31-T37 WeakPolarHBondContact O-CB 3.11Å; F31-T37 PolarHBondContact O-OG1 2.9Å; S33-T37 CarbonylContact C-O 3.59Å; S33-T37 WeakPolarHBondContact CB-OG1 3.36Å; S33-T37 PolarHBondContact N-O 2.94Å; S33-T37 PolarHBondContact N-OG1 2.82Å; S33-T37 PolarHBondContact O-N 3.36Å; S33-T37 PolarHBondContact O-OG1 3Å; R34-T37 PolarHBondContact N-O 3.06Å; T37-A57 HydrophobicContact CG2-CB 3.84Å |
| 38 | S | 75.5 | Confident | 74 | Confident | 28 Ų | 28 | 39.6 Ų | 39.6 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | trans | -64.3 | 154.3 | -175.8 | 175.2 | 0 | 0 | 0 | 0 | 113.3 | C40 F41 P53 | S38-C40 PolarHBondContact O-N 3.37Å; S38-C40 PolarHBondContact OG-N 2.99Å; S38-F41 WeakPolarHBondContact O-CB 3.36Å; S38-F41 PolarHBondContact O-N 3.13Å; S38-P53 WeakPolarHBondContact CA-O 3.37Å; S38-P53 WeakPolarHBondContact CB-O 3.33Å; S38-P53 PolarHBondContact N-O 2.92Å | ||
| 39 | S | 70 | Confident | 72 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -63.6 | -19.7 | 171.7 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | F41 Y42 | S39-F41 PolarHBondContact O-N 3.44Å; S39-Y42 VanDerWaalsContact O-CD2 3.23Å; S39-Y42 WeakPolarHBondContact O-CD2 3.32Å; S39-Y42 PolarHBondContact O-N 3.45Å |
| 40 | C | 70.4 | Confident | 70.4 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -58.1 | -20.3 | 175.6 | 83 | 0 | 0 | 0 | 0 | 112.3 | S38 Y42 E43 C48 | S38-C40 PolarHBondContact O-N 3.37Å; S38-C40 PolarHBondContact OG-N 2.99Å; C40-Y42 PolarHBondContact O-N 3.35Å; C40-Y42 VanDerWaalsContact O-N 3.15Å; C40-E43 PolarHBondContact O-N 2.86Å; C40-C48 HydrophobicContact CB-CB 3.72Å; C40-C48 WeakPolarHBondContact CB-SG 3.38Å; C40-C48 WeakPolarHBondContact O-CB 3.23Å; C40-C48 WeakPolarHBondContact SG-CB 3.26Å; C40-C48 CovalentContact SG-SG 2.07Å; C40-C48 PolarHBondContact SG-SG 2.9Å |
| 41 | F | 69.9 | Low | 68.5 | Low | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -60.9 | -20.8 | 177.9 | -139.7 | -93.6 | 0 | 0 | 0 | 112.6 | A30 P32 S38 S39 E43 Y44 P51 W74 Y76 | A30-F41 HydrophobicContact CB-CE1 4.19Å; A30-F41 HydrophobicContact CB-CE2 4.37Å; A30-F41 HydrophobicContact CB-CZ 3.89Å; A30-F41 WeakPolarHBondContact O-CE1 3.47Å; P32-F41 HydrophobicContact CB-CB 4.3Å; P32-F41 HydrophobicContact CG-CB 3.99Å; S38-F41 WeakPolarHBondContact O-CB 3.36Å; S38-F41 PolarHBondContact O-N 3.13Å; S39-F41 PolarHBondContact O-N 3.44Å; F41-E43 PolarHBondContact O-N 3.31Å; F41-Y44 WeakPolarHBondContact O-CB 3.23Å; F41-Y44 PolarHBondContact O-N 3.08Å; F41-P51 HydrophobicContact CD2-CB 3.3Å; F41-P51 HydrophobicContact CD2-CG 4.05Å; F41-P51 HydrophobicContact CE2-CB 3.26Å; F41-P51 HydrophobicContact CE2-CG 3.46Å; F41-P51 VanDerWaalsContact CE2-CG 3.46Å; F41-P51 HydrophobicContact CZ-CB 4.5Å; F41-P51 HydrophobicContact CZ-CG 4.4Å; F41-W74 HydrophobicContact CE2-CB 4.46Å; F41-W74 HydrophobicContact CE2-CD2 4.14Å; F41-W74 AromaticContact CE2-CE3 3.8Å; F41-W74 HydrophobicContact CE2-CE3 3.8Å; F41-W74 HydrophobicContact CE2-CG 4.45Å; F41-W74 HydrophobicContact CE2-CZ3 4.32Å; F41-W74 HydrophobicContact CZ-CB 4.07Å; F41-W74 HydrophobicContact CZ-CD2 4.24Å; F41-W74 AromaticContact CZ-CE3 3.71Å; F41-W74 HydrophobicContact CZ-CE3 3.71Å; F41-W74 HydrophobicContact CZ-CG 4.43Å; F41-W74 HydrophobicContact CZ-CZ3 4.46Å; F41-Y76 AromaticContact CD1-CD2 3.79Å; F41-Y76 HydrophobicContact CD1-CD2 3.79Å; F41-Y76 HydrophobicContact CE1-CD2 4.2Å |
| 42 | Y | 65.7 | Low | 67 | Low | 140 Ų | 140 | 50.9 Ų | 50.9 | 55% | 0.549 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63.2 | -25 | 170.4 | -76.3 | -65.4 | 0 | 0 | 0 | 113.5 | P32 S39 C40 | P32-Y42 HydrophobicContact CB-CD2 3.95Å; P32-Y42 HydrophobicContact CB-CE1 4.46Å; P32-Y42 HydrophobicContact CB-CE2 3.59Å; P32-Y42 HydrophobicContact CG-CD1 3.83Å; P32-Y42 HydrophobicContact CG-CD2 3.82Å; P32-Y42 HydrophobicContact CG-CE1 3.72Å; P32-Y42 HydrophobicContact CG-CE2 3.69Å; P32-Y42 HydrophobicContact CG-CG 3.87Å; S39-Y42 VanDerWaalsContact O-CD2 3.23Å; S39-Y42 WeakPolarHBondContact O-CD2 3.32Å; S39-Y42 PolarHBondContact O-N 3.45Å; C40-Y42 PolarHBondContact O-N 3.35Å; C40-Y42 VanDerWaalsContact O-N 3.15Å |
| 43 | E | 62.7 | Low | 66.2 | Low | 129 Ų | 129 | 52 Ų | 52 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -96 | 1.2 | -179.7 | -58.1 | -176.3 | 177.6 | 0 | 0 | 112.3 | C40 F41 N46 G47 | C40-E43 PolarHBondContact O-N 2.86Å; F41-E43 PolarHBondContact O-N 3.31Å; E43-N46 CarbonylContact O-C 3.54Å; E43-N46 PolarHBondContact O-N 3.33Å; E43-G47 PolarHBondContact O-N 2.89Å |
| 44 | Y | 58.3 | Low | 66.1 | Low | 56 Ų | 56 | 51.6 Ų | 51.6 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 141.1 | 179.1 | -173 | -91.5 | 0 | 0 | 0 | 112 | F41 C48 W74 | F41-Y44 WeakPolarHBondContact O-CB 3.23Å; F41-Y44 PolarHBondContact O-N 3.08Å; Y44-C48 WeakPolarHBondContact CD2-O 3.3Å; Y44-W74 HydrophobicContact CE1-CB 4.26Å; Y44-W74 WeakPolarHBondContact CE1-O 3.35Å; Y44-W74 HydrophobicContact CE2-CB 3.89Å; Y44-W74 PolarHBondContact OH-N 3.36Å; Y44-W74 PolarHBondContact OH-O 3.31Å |
| 45 | P | 55.8 | Low | 66.5 | Low | 60 Ų | 60 | 48.6 Ų | 48.6 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.5 | -5.1 | -3.4 | 33.6 | -34.5 | 0 | 0 | 0 | 114.2 | L49 | P45-L49 WeakPolarHBondContact O-CD2 3.42Å; P45-L49 WeakPolarHBondContact O-CG 2.94Å |
| 46 | N | 62.5 | Low | 67 | Low | 156 Ų | 156 | 48.7 Ų | 48.7 | 83% | 0.834 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.4 | -166.3 | -62.6 | -29.3 | 0 | 0 | 0 | 114.3 | E43 | E43-N46 CarbonylContact O-C 3.54Å; E43-N46 PolarHBondContact O-N 3.33Å |
| 47 | G | 54.8 | Low | 67.2 | Low | 46 Ų | 46 | 48.4 Ų | 48.4 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -123.1 | -15.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E43 | E43-G47 PolarHBondContact O-N 2.89Š|
| 48 | C | 59.1 | Low | 67.3 | Low | 18 Ų | 18 | 49.2 Ų | 49.2 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | trans | -136.6 | 68.1 | 179.1 | -148.1 | 0 | 0 | 0 | 0 | 111.9 | C40 Y44 D50 | C40-C48 HydrophobicContact CB-CB 3.72Å; C40-C48 WeakPolarHBondContact CB-SG 3.38Å; C40-C48 WeakPolarHBondContact O-CB 3.23Å; C40-C48 WeakPolarHBondContact SG-CB 3.26Å; C40-C48 CovalentContact SG-SG 2.07Å; C40-C48 PolarHBondContact SG-SG 2.9Å; Y44-C48 WeakPolarHBondContact CD2-O 3.3Å; C48-D50 PolarHBondContact O-N 3.33Å; C48-D50 VanDerWaalsContact O-N 3.15Å | ||
| 49 | L | 51.9 | Low | 68.1 | Low | 145 Ų | 145 | 48 Ų | 48 | 76% | 0.759 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -63.5 | -16.9 | -176.4 | -74.6 | 165.8 | 0 | 0 | 0 | 115 | P45 | P45-L49 WeakPolarHBondContact O-CD2 3.42Å; P45-L49 WeakPolarHBondContact O-CG 2.94Å |
| 50 | D | 57 | Low | 69 | Low | 75 Ų | 75 | 45.3 Ų | 45.3 | 40% | 0.401 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -131.9 | 85.8 | 175.4 | -167.3 | 7.7 | 0 | 0 | 0 | 108.2 | C48 G52 | C48-D50 PolarHBondContact O-N 3.33Å; C48-D50 VanDerWaalsContact O-N 3.15Å; D50-G52 PolarHBondContact O-N 3.03Å |
| 51 | P | 50.6 | Low | 69.9 | Low | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | trans | -78.1 | 32.9 | -171.4 | 32.1 | -35.5 | 0 | 0 | 0 | 113.1 | F41 P53 W74 | F41-P51 HydrophobicContact CD2-CB 3.3Å; F41-P51 HydrophobicContact CD2-CG 4.05Å; F41-P51 HydrophobicContact CE2-CB 3.26Å; F41-P51 HydrophobicContact CE2-CG 3.46Å; F41-P51 VanDerWaalsContact CE2-CG 3.46Å; F41-P51 HydrophobicContact CZ-CB 4.5Å; F41-P51 HydrophobicContact CZ-CG 4.4Å; P51-P53 VanDerWaalsContact C-N 3.25Å; P51-P53 WeakPolarHBondContact O-CD 3.47Å; P51-P53 VanDerWaalsContact O-N 3.09Å; P51-W74 HydrophobicContact CG-CB 4.03Å; P51-W74 HydrophobicContact CG-CD2 3.45Å; P51-W74 VanDerWaalsContact CG-CD2 3.45Å; P51-W74 VanDerWaalsContact CG-CE2 3.43Å; P51-W74 HydrophobicContact CG-CE3 4.25Å; P51-W74 HydrophobicContact CG-CG 3.3Å; P51-W74 HydrophobicContact CG-CZ2 4.18Å; P51-W74 VanDerWaalsContact CG-NE1 3.27Å | ||
| 52 | G | 52.6 | Low | 70.7 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | trans | -64.2 | 11.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | D50 Y368 | D50-G52 PolarHBondContact O-N 3.03Å; G52-Y368 PolarHBondContact O-OH 3.41Å | ||
| 53 | P | 65.4 | Low | 71.9 | Confident | 41 Ų | 41 | 39.5 Ų | 39.5 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | trans | -95.9 | 114.5 | 162.9 | 21.2 | -3.1 | 0 | 0 | 0 | 110.7 | S38 P51 Y368 | S38-P53 WeakPolarHBondContact CA-O 3.37Å; S38-P53 WeakPolarHBondContact CB-O 3.33Å; S38-P53 PolarHBondContact N-O 2.92Å; P51-P53 VanDerWaalsContact C-N 3.25Å; P51-P53 WeakPolarHBondContact O-CD 3.47Å; P51-P53 VanDerWaalsContact O-N 3.09Å; P53-Y368 WeakPolarHBondContact CA-OH 3.1Å; P53-Y368 HydrophobicContact CB-CE1 4.03Å | ||
| 54 | G | 78.7 | Confident | 73.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 153.6 | 144.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P35 Y36 D56 E58 Y368 | P35-G54 WeakPolarHBondContact O-CA 3.2Å; Y36-G54 CarbonylContact O-C 3.49Å; Y36-G54 WeakPolarHBondContact O-CA 3.48Å; G54-D56 PolarHBondContact O-N 3.18Å; G54-E58 VanDerWaalsContact O-CB 3.26Å; G54-E58 WeakPolarHBondContact O-CB 3.28Å; G54-E58 PolarHBondContact O-N 3.36Å; G54-Y368 VanDerWaalsContact C-CD2 3.48Å; G54-Y368 VanDerWaalsContact C-CE2 3.46Å; G54-Y368 WeakPolarHBondContact O-CE2 3.5Å |
| 55 | A | 87.2 | Confident | 74.6 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -49.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | P35 Y36 F59 L364 L365 Y368 | P35-A55 PolarHBondContact O-N 2.81Å; Y36-A55 PolarHBondContact O-N 3.06Å; A55-F59 VanDerWaalsContact O-CB 3.22Å; A55-F59 WeakPolarHBondContact O-CB 3.43Å; A55-F59 PolarHBondContact O-N 3.25Å; A55-F59 VanDerWaalsContact O-N 3.12Å; A55-L364 HydrophobicContact CB-CB 4.36Å; A55-L365 HydrophobicContact CB-CD2 4.08Å; A55-L365 HydrophobicContact CB-CG 3.98Å; A55-Y368 HydrophobicContact CB-CD2 4.12Å; A55-Y368 VanDerWaalsContact N-CD2 3.32Å |
| 56 | D | 90.1 | Very high | 76 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.6 | -41.6 | -179.2 | -73.4 | -3.2 | 0 | 0 | 0 | 111.9 | Y36 G54 F59 I60 G96 S98 F337 | Y36-D56 PolarHBondContact O-N 3.19Å; G54-D56 PolarHBondContact O-N 3.18Å; D56-F59 PolarHBondContact O-N 3.49Å; D56-I60 WeakPolarHBondContact O-CG2 3.27Å; D56-I60 PolarHBondContact O-N 3.32Å; D56-G96 WeakPolarHBondContact CB-O 3.17Å; D56-S98 VanDerWaalsContact OD2-CB 3.26Å; D56-S98 WeakPolarHBondContact OD2-CB 3.5Å; D56-S98 PolarHBondContact OD2-N 3.19Å; D56-S98 PolarHBondContact OD2-OG 3.22Å; D56-F337 HydrophobicContact CB-CE1 4.03Å; D56-F337 HydrophobicContact CB-CZ 3.92Å |
| 57 | A | 88.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y36 T37 F59 Y61 W74 | Y36-A57 PolarHBondContact O-N 2.88Å; T37-A57 HydrophobicContact CG2-CB 3.84Å; A57-F59 VanDerWaalsContact C-N 3.32Å; A57-F59 PolarHBondContact O-N 2.77Å; A57-Y61 WeakPolarHBondContact O-CB 3.1Å; A57-Y61 PolarHBondContact O-N 3.2Å; A57-W74 HydrophobicContact CB-CH2 3.78Å; A57-W74 HydrophobicContact CB-CZ2 4.44Å; A57-W74 HydrophobicContact CB-CZ3 4.47Å |
| 58 | E | 87.3 | Confident | 78.6 | Confident | 17 Ų | 17 | 26.5 Ų | 26.5 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 176.7 | -170.2 | 172.7 | -178.1 | 0 | 0 | 110.7 | G54 S62 L364 K367 Y368 | G54-E58 VanDerWaalsContact O-CB 3.26Å; G54-E58 WeakPolarHBondContact O-CB 3.28Å; G54-E58 PolarHBondContact O-N 3.36Å; E58-S62 WeakPolarHBondContact O-CB 3.13Å; E58-S62 PolarHBondContact O-N 3.46Å; E58-S62 PolarHBondContact O-OG 3Å; E58-L364 HydrophobicContact CB-CD1 4.21Å; E58-L364 HydrophobicContact CB-CD2 4.32Å; E58-L364 HydrophobicContact CG-CD1 4.32Å; E58-L364 HydrophobicContact CG-CD2 4Å; E58-L364 WeakPolarHBondContact OE2-CD2 3.01Å; E58-K367 IonicContact OE1-NZ 3.55Å; E58-K367 PolarHBondContact OE1-NZ 3.28Å; E58-K367 VanDerWaalsContact OE1-NZ 3.14Å; E58-K367 IonicContact OE2-NZ 3.78Å; E58-K367 PolarHBondContact OE2-NZ 2.97Å; E58-Y368 HydrophobicContact CB-CE2 4.3Å; E58-Y368 WeakPolarHBondContact OE2-CE2 3.29Å; E58-Y368 PolarHBondContact OE2-OH 2.85Å |
| 59 | F | 91.1 | Very high | 79.9 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -55.9 | 177.5 | 179.2 | -99.5 | 0 | 0 | 0 | 111.7 | A55 D56 A57 Y61 S62 V63 V115 F337 I352 F357 L360 A361 L364 | A55-F59 VanDerWaalsContact O-CB 3.22Å; A55-F59 WeakPolarHBondContact O-CB 3.43Å; A55-F59 PolarHBondContact O-N 3.25Å; A55-F59 VanDerWaalsContact O-N 3.12Å; D56-F59 PolarHBondContact O-N 3.49Å; A57-F59 VanDerWaalsContact C-N 3.32Å; A57-F59 PolarHBondContact O-N 2.77Å; F59-Y61 VanDerWaalsContact C-N 3.35Å; F59-Y61 PolarHBondContact O-N 3.31Å; F59-S62 WeakPolarHBondContact O-CB 3.5Å; F59-S62 PolarHBondContact O-N 3.5Å; F59-V63 HydrophobicContact CE1-CG2 4.25Å; F59-V63 HydrophobicContact CZ-CG2 4.3Å; F59-V63 WeakPolarHBondContact O-CG2 3.26Å; F59-V63 PolarHBondContact O-N 2.97Å; F59-V63 VanDerWaalsContact O-N 3.1Å; F59-V115 HydrophobicContact CD1-CG1 4.35Å; F59-V115 HydrophobicContact CE1-CG1 3.73Å; F59-V115 HydrophobicContact CE1-CG2 4.42Å; F59-V115 HydrophobicContact CE2-CG1 4.39Å; F59-V115 HydrophobicContact CZ-CG1 3.75Å; F59-F337 AromaticContact CD1-CE2 3.66Å; F59-F337 HydrophobicContact CD1-CE2 3.66Å; F59-F337 HydrophobicContact CD1-CZ 4.05Å; F59-F337 AromaticContact CE1-CE2 3.9Å; F59-F337 HydrophobicContact CE1-CE2 3.9Å; F59-I352 HydrophobicContact CE1-CG1 4.18Å; F59-I352 HydrophobicContact CZ-CG1 4.22Å; F59-F357 HydrophobicContact CE2-CB 4.16Å; F59-F357 AromaticContact CE2-CD1 3.76Å; F59-F357 HydrophobicContact CE2-CD1 3.76Å; F59-F357 HydrophobicContact CE2-CG 4.48Å; F59-F357 VanDerWaalsContact CE2-O 3.27Å; F59-F357 WeakPolarHBondContact CE2-O 3.35Å; F59-F357 HydrophobicContact CZ-CB 4.35Å; F59-F357 HydrophobicContact CZ-CD1 4.15Å; F59-L360 HydrophobicContact CD2-CD2 4.25Å; F59-L360 HydrophobicContact CD2-CG 4.34Å; F59-A361 HydrophobicContact CD2-CB 3.98Å; F59-A361 HydrophobicContact CE2-CB 3.93Å; F59-L364 HydrophobicContact CB-CD1 3.78Å; F59-L364 HydrophobicContact CD2-CD1 4.38Å |
| 60 | I | 90.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.2 | -34 | -174.9 | -157.2 | 62.5 | 0 | 0 | 0 | 111.9 | I28 D56 V63 V64 W74 L94 F337 L348 | I28-I60 HydrophobicContact CD1-CG1 4.5Å; I28-I60 HydrophobicContact CD1-CG2 4Å; I28-I60 HydrophobicContact CG2-CG2 4.29Å; D56-I60 WeakPolarHBondContact O-CG2 3.27Å; D56-I60 PolarHBondContact O-N 3.32Å; I60-V63 PolarHBondContact O-N 2.65Å; I60-V64 WeakPolarHBondContact O-CG2 2.93Å; I60-V64 PolarHBondContact O-N 3.38Å; I60-W74 HydrophobicContact CG2-CH2 4.21Å; I60-L94 HydrophobicContact CD1-CD1 4.42Å; I60-L94 HydrophobicContact CD1-CD2 3.84Å; I60-L94 HydrophobicContact CD1-CG 4.47Å; I60-L94 HydrophobicContact CG1-CD1 4.48Å; I60-L94 HydrophobicContact CG1-CD2 3.45Å; I60-L94 VanDerWaalsContact CG1-CD2 3.45Å; I60-L94 HydrophobicContact CG1-CG 4.05Å; I60-F337 HydrophobicContact CB-CE1 4.31Å; I60-F337 HydrophobicContact CB-CZ 4.41Å; I60-F337 HydrophobicContact CD1-CD1 4.48Å; I60-F337 HydrophobicContact CD1-CD2 4.19Å; I60-F337 HydrophobicContact CD1-CE2 4.47Å; I60-F337 HydrophobicContact CD1-CG 4.19Å; I60-L348 HydrophobicContact CD1-CD2 4.44Å |
| 61 | Y | 88.2 | Confident | 83.2 | Confident | 38 Ų | 38 | 25.4 Ų | 25.4 | 15% | 0.149 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 171.7 | -177.4 | -86 | 0 | 0 | 0 | 110.7 | A57 F59 V63 V64 H65 V72 W74 | A57-Y61 WeakPolarHBondContact O-CB 3.1Å; A57-Y61 PolarHBondContact O-N 3.2Å; F59-Y61 VanDerWaalsContact C-N 3.35Å; F59-Y61 PolarHBondContact O-N 3.31Å; Y61-V63 VanDerWaalsContact C-N 3.28Å; Y61-V63 PolarHBondContact O-N 3.34Å; Y61-V64 PolarHBondContact O-N 2.99Å; Y61-H65 HydrophobicContact CD1-CB 4.01Å; Y61-H65 HydrophobicContact CD2-CB 4.46Å; Y61-H65 HydrophobicContact CE1-CB 3.69Å; Y61-H65 AromaticContact CE1-CG 3.71Å; Y61-H65 AromaticContact CE1-ND1 3.74Å; Y61-H65 HydrophobicContact CE2-CB 4.21Å; Y61-H65 HydrophobicContact CG-CB 4.38Å; Y61-H65 AromaticContact CZ-CG 3.67Å; Y61-H65 AromaticContact CZ-ND1 3.99Å; Y61-H65 VanDerWaalsContact O-CB 3.26Å; Y61-H65 WeakPolarHBondContact O-CB 3.43Å; Y61-H65 PolarHBondContact O-N 2.83Å; Y61-V72 HydrophobicContact CD2-CB 4.14Å; Y61-V72 HydrophobicContact CD2-CG1 4.2Å; Y61-V72 HydrophobicContact CD2-CG2 4.1Å; Y61-V72 HydrophobicContact CE2-CB 4.15Å; Y61-V72 HydrophobicContact CE2-CG2 4.34Å; Y61-W74 HydrophobicContact CD2-CZ2 4.23Å |
| 62 | S | 87.5 | Confident | 85 | Confident | 10 Ų | 10 | 26.8 Ų | 26.8 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -59.5 | -39.8 | 178 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | E58 F59 D66 V67 | E58-S62 WeakPolarHBondContact O-CB 3.13Å; E58-S62 PolarHBondContact O-N 3.46Å; E58-S62 PolarHBondContact O-OG 3Å; F59-S62 WeakPolarHBondContact O-CB 3.5Å; F59-S62 PolarHBondContact O-N 3.5Å; S62-D66 WeakPolarHBondContact O-CA 3.46Å; S62-D66 VanDerWaalsContact O-CB 3.25Å; S62-D66 WeakPolarHBondContact O-CB 3.33Å; S62-D66 PolarHBondContact O-N 3.01Å; S62-V67 PolarHBondContact O-N 3.22Å; S62-V67 VanDerWaalsContact O-N 3.14Å |
| 63 | V | 89.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -63.4 | -50.5 | 176 | 175.6 | 0 | 0 | 0 | 0 | 111 | F59 I60 Y61 V67 F68 L348 V351 F357 | F59-V63 HydrophobicContact CE1-CG2 4.25Å; F59-V63 HydrophobicContact CZ-CG2 4.3Å; F59-V63 WeakPolarHBondContact O-CG2 3.26Å; F59-V63 PolarHBondContact O-N 2.97Å; F59-V63 VanDerWaalsContact O-N 3.1Å; I60-V63 PolarHBondContact O-N 2.65Å; Y61-V63 VanDerWaalsContact C-N 3.28Å; Y61-V63 PolarHBondContact O-N 3.34Å; V63-V67 VanDerWaalsContact O-CB 3.28Å; V63-V67 WeakPolarHBondContact O-CB 3.49Å; V63-V67 PolarHBondContact O-N 2.61Å; V63-F68 HydrophobicContact CG1-CD2 4.13Å; V63-F68 HydrophobicContact CG1-CE2 3.82Å; V63-F68 VanDerWaalsContact O-CD2 3.23Å; V63-F68 WeakPolarHBondContact O-CD2 3.23Å; V63-F68 PolarHBondContact O-N 3.36Å; V63-L348 HydrophobicContact CG1-CD2 3.62Å; V63-V351 HydrophobicContact CG1-CB 4.15Å; V63-V351 HydrophobicContact CG1-CG1 4.1Å; V63-V351 HydrophobicContact CG1-CG2 4.44Å; V63-V351 HydrophobicContact CG2-CG1 4.09Å; V63-F357 HydrophobicContact CG2-CD1 3.65Å; V63-F357 HydrophobicContact CG2-CE1 3.54Å |
| 64 | V | 89.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -76 | -52 | -174 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | V26 I28 I60 Y61 F68 Q69 V70 V72 L94 L348 | V26-V64 HydrophobicContact CB-CG1 3.84Å; V26-V64 HydrophobicContact CG1-CG1 4.41Å; V26-V64 HydrophobicContact CG2-CG1 3.74Å; I28-V64 HydrophobicContact CD1-CG2 4.31Å; I60-V64 WeakPolarHBondContact O-CG2 2.93Å; I60-V64 PolarHBondContact O-N 3.38Å; Y61-V64 PolarHBondContact O-N 2.99Å; V64-F68 CarbonylContact O-C 3.6Å; V64-F68 WeakPolarHBondContact O-CB 3.4Å; V64-F68 PolarHBondContact O-N 3.29Å; V64-Q69 PolarHBondContact O-N 2.85Å; V64-V70 HydrophobicContact CG1-CB 4.17Å; V64-V70 PolarHBondContact O-N 2.73Å; V64-V72 HydrophobicContact CB-CG2 3.88Å; V64-V72 HydrophobicContact CG1-CG2 3.59Å; V64-L94 HydrophobicContact CG2-CD2 3.95Å; V64-L348 HydrophobicContact CG2-CD2 4.32Å |
| 65 | H | 87.5 | Confident | 88.1 | Confident | 74 Ų | 74 | 29.6 Ų | 29.6 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -77.1 | -48.4 | -175.3 | -179.9 | -89.4 | 0 | 0 | 0 | 111.9 | Y61 Q69 V70 V72 | Y61-H65 HydrophobicContact CD1-CB 4.01Å; Y61-H65 HydrophobicContact CD2-CB 4.46Å; Y61-H65 HydrophobicContact CE1-CB 3.69Å; Y61-H65 AromaticContact CE1-CG 3.71Å; Y61-H65 AromaticContact CE1-ND1 3.74Å; Y61-H65 HydrophobicContact CE2-CB 4.21Å; Y61-H65 HydrophobicContact CG-CB 4.38Å; Y61-H65 AromaticContact CZ-CG 3.67Å; Y61-H65 AromaticContact CZ-ND1 3.99Å; Y61-H65 VanDerWaalsContact O-CB 3.26Å; Y61-H65 WeakPolarHBondContact O-CB 3.43Å; Y61-H65 PolarHBondContact O-N 2.83Å; H65-Q69 WeakPolarHBondContact O-CA 3.46Å; H65-Q69 PolarHBondContact O-N 2.99Å; H65-V70 WeakPolarHBondContact CA-O 3.47Å; H65-V72 HydrophobicContact CB-CG2 4.18Å |
| 66 | D | 85.2 | Confident | 88 | Confident | 63 Ų | 63 | 33 Ų | 33 | 34% | 0.337 | 17% | 0.165 | S | C | . | . | I | π-helix | trans | -86.2 | -37.9 | -171.1 | -58.5 | -25 | 0 | 0 | 0 | 112.9 | S62 | S62-D66 WeakPolarHBondContact O-CA 3.46Å; S62-D66 VanDerWaalsContact O-CB 3.25Å; S62-D66 WeakPolarHBondContact O-CB 3.33Å; S62-D66 PolarHBondContact O-N 3.01Å |
| 67 | V | 86.2 | Confident | 87.9 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -85 | -53.6 | -179 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | A7 H14 S62 V63 V351 F357 | A7-V67 HydrophobicContact CB-CG2 4.42Å; H14-V67 WeakPolarHBondContact NE2-CG1 3.44Å; S62-V67 PolarHBondContact O-N 3.22Å; S62-V67 VanDerWaalsContact O-N 3.14Å; V63-V67 VanDerWaalsContact O-CB 3.28Å; V63-V67 WeakPolarHBondContact O-CB 3.49Å; V63-V67 PolarHBondContact O-N 2.61Å; V67-V351 HydrophobicContact CG1-CG1 4.42Å; V67-V351 HydrophobicContact CG1-CG2 3.88Å; V67-V351 HydrophobicContact CG2-CG1 4.3Å; V67-F357 HydrophobicContact CG2-CE1 4.16Å; V67-F357 HydrophobicContact CG2-CE2 3.87Å; V67-F357 HydrophobicContact CG2-CZ 3.29Å |
| 68 | F | 86.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -82.6 | -14.3 | -179.5 | -67.9 | -66.5 | 0 | 0 | 0 | 113.7 | V17 F21 V63 V64 V70 Y347 L348 V351 | V17-F68 HydrophobicContact CG1-CE1 3.97Å; F21-F68 HydrophobicContact CB-CD1 4.21Å; F21-F68 HydrophobicContact CD1-CB 4.46Å; F21-F68 HydrophobicContact CD2-CB 4.32Å; F21-F68 AromaticContact CD2-CD1 3.36Å; F21-F68 HydrophobicContact CD2-CD1 3.36Å; F21-F68 HydrophobicContact CD2-CD2 4.23Å; F21-F68 AromaticContact CD2-CE1 3.61Å; F21-F68 HydrophobicContact CD2-CE1 3.61Å; F21-F68 HydrophobicContact CD2-CE2 4.43Å; F21-F68 AromaticContact CD2-CG 3.72Å; F21-F68 HydrophobicContact CD2-CG 3.72Å; F21-F68 HydrophobicContact CD2-CZ 4.15Å; F21-F68 HydrophobicContact CE2-CB 4.45Å; F21-F68 AromaticContact CE2-CD1 3.8Å; F21-F68 HydrophobicContact CE2-CD1 3.8Å; F21-F68 AromaticContact CE2-CD2 3.79Å; F21-F68 HydrophobicContact CE2-CD2 3.79Å; F21-F68 AromaticContact CE2-CE1 3.91Å; F21-F68 HydrophobicContact CE2-CE1 3.91Å; F21-F68 AromaticContact CE2-CE2 3.91Å; F21-F68 HydrophobicContact CE2-CE2 3.91Å; F21-F68 AromaticContact CE2-CG 3.74Å; F21-F68 HydrophobicContact CE2-CG 3.74Å; F21-F68 AromaticContact CE2-CZ 3.97Å; F21-F68 HydrophobicContact CE2-CZ 3.97Å; F21-F68 HydrophobicContact CG-CB 4.29Å; F21-F68 AromaticContact CG-CD1 3.94Å; F21-F68 HydrophobicContact CG-CD1 3.94Å; F21-F68 HydrophobicContact CG-CG 4.17Å; F21-F68 HydrophobicContact CZ-CD2 4.19Å; F21-F68 HydrophobicContact CZ-CG 4.23Å; V63-F68 HydrophobicContact CG1-CD2 4.13Å; V63-F68 HydrophobicContact CG1-CE2 3.82Å; V63-F68 VanDerWaalsContact O-CD2 3.23Å; V63-F68 WeakPolarHBondContact O-CD2 3.23Å; V63-F68 PolarHBondContact O-N 3.36Å; V64-F68 CarbonylContact O-C 3.6Å; V64-F68 WeakPolarHBondContact O-CB 3.4Å; V64-F68 PolarHBondContact O-N 3.29Å; F68-V70 VanDerWaalsContact C-N 3.28Å; F68-V70 HydrophobicContact CB-CG2 4.07Å; F68-V70 PolarHBondContact O-N 3.13Å; F68-Y347 WeakPolarHBondContact CZ-O 3.48Å; F68-L348 HydrophobicContact CE2-CD2 4.26Å; F68-V351 HydrophobicContact CE1-CG2 4.44Å; F68-V351 HydrophobicContact CE2-CG2 3.71Å; F68-V351 HydrophobicContact CZ-CG2 3.54Å |
| 69 | Q | 87.4 | Confident | 87.4 | Confident | 129 Ų | 129 | 37.9 Ų | 37.9 | 60% | 0.603 | 19% | 0.192 | S | C | * | . | trans | 61.5 | 36.8 | 179.5 | -52.6 | -169.1 | -15.4 | 0 | 0 | 112.8 | V64 H65 | V64-Q69 PolarHBondContact O-N 2.85Å; H65-Q69 WeakPolarHBondContact O-CA 3.46Å; H65-Q69 PolarHBondContact O-N 2.99Å | ||
| 70 | V | 88.2 | Confident | 87.2 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | trans | -110.7 | 133.8 | -178.8 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | F21 Y23 V26 V64 H65 F68 | F21-V70 HydrophobicContact CD1-CG2 3.61Å; F21-V70 HydrophobicContact CE1-CG2 4.02Å; F21-V70 HydrophobicContact CG-CG2 4.44Å; Y23-V70 WeakPolarHBondContact O-CG1 3.32Å; V26-V70 HydrophobicContact CG2-CG1 3.96Å; V64-V70 HydrophobicContact CG1-CB 4.17Å; V64-V70 PolarHBondContact O-N 2.73Å; H65-V70 WeakPolarHBondContact CA-O 3.47Å; F68-V70 VanDerWaalsContact C-N 3.28Å; F68-V70 HydrophobicContact CB-CG2 4.07Å; F68-V70 PolarHBondContact O-N 3.13Å | ||
| 71 | P | 88.7 | Confident | 87 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 50% | 0.5 | 21% | 0.21 | S | C | . | . | trans | -55.4 | 137 | 172.8 | -25.6 | 33.2 | 0 | 0 | 0 | 113 | E24 K25 V26 | E24-P71 WeakPolarHBondContact O-CD 3.48Å; K25-P71 CarbonylContact C-O 3.55Å; K25-P71 WeakPolarHBondContact CA-O 3.27Å; K25-P71 HydrophobicContact CB-CB 4.35Å; V26-P71 PolarHBondContact N-O 3.26Å | ||
| 72 | V | 87.8 | Confident | 87.1 | Confident | 30 Ų | 30 | 43.1 Ų | 43.1 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.3 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | V26 I28 Y61 V64 H65 W74 | V26-V72 WeakPolarHBondContact O-CA 3.39Å; I28-V72 HydrophobicContact CB-CG1 4.33Å; I28-V72 HydrophobicContact CD1-CG1 3.56Å; I28-V72 HydrophobicContact CD1-CG2 4.16Å; I28-V72 HydrophobicContact CG1-CG1 3.85Å; Y61-V72 HydrophobicContact CD2-CB 4.14Å; Y61-V72 HydrophobicContact CD2-CG1 4.2Å; Y61-V72 HydrophobicContact CD2-CG2 4.1Å; Y61-V72 HydrophobicContact CE2-CB 4.15Å; Y61-V72 HydrophobicContact CE2-CG2 4.34Å; V64-V72 HydrophobicContact CB-CG2 3.88Å; V64-V72 HydrophobicContact CG1-CG2 3.59Å; H65-V72 HydrophobicContact CB-CG2 4.18Å; V72-W74 HydrophobicContact CG1-CD2 4.39Å; V72-W74 HydrophobicContact CG1-CG 4.45Å; V72-W74 HydrophobicContact CG1-CZ2 4.4Å |
| 73 | E | 88.1 | Confident | 87.2 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.1 | 170 | 179.8 | 179.6 | -178.5 | 0 | 0 | 108.8 | K25 V26 R27 I28 | K25-E73 WeakPolarHBondContact CE-OE2 3.41Å; K25-E73 IonicContact NZ-OE2 3.34Å; K25-E73 PolarHBondContact NZ-OE2 3.06Å; V26-E73 PolarHBondContact O-N 3.25Å; R27-E73 CarbonylContact C-O 3.56Å; R27-E73 VanDerWaalsContact CA-O 3.23Å; R27-E73 WeakPolarHBondContact CA-O 3.42Å; R27-E73 HydrophobicContact CG-CB 4.18Å; R27-E73 HydrophobicContact CG-CG 4.45Å; I28-E73 PolarHBondContact N-O 3.33Å |
| 74 | W | 86.6 | Confident | 87.3 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 4% | 0.038 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137.9 | -180 | -69.2 | 94.3 | 0 | 0 | 0 | 111.6 | I28 A30 F41 Y44 P51 A57 I60 Y61 V72 | I28-W74 HydrophobicContact CB-CD2 4.32Å; I28-W74 HydrophobicContact CB-CE3 3.88Å; I28-W74 HydrophobicContact CB-CH2 4.42Å; I28-W74 HydrophobicContact CB-CZ3 3.96Å; I28-W74 HydrophobicContact CG2-CE3 3.78Å; I28-W74 HydrophobicContact CG2-CH2 3.88Å; I28-W74 HydrophobicContact CG2-CZ3 3.37Å; I28-W74 CarbonylContact O-C 3.46Å; I28-W74 WeakPolarHBondContact O-CA 3.37Å; A30-W74 HydrophobicContact CB-CE3 4.19Å; A30-W74 HydrophobicContact CB-CZ3 3.9Å; F41-W74 HydrophobicContact CE2-CB 4.46Å; F41-W74 HydrophobicContact CE2-CD2 4.14Å; F41-W74 AromaticContact CE2-CE3 3.8Å; F41-W74 HydrophobicContact CE2-CE3 3.8Å; F41-W74 HydrophobicContact CE2-CG 4.45Å; F41-W74 HydrophobicContact CE2-CZ3 4.32Å; F41-W74 HydrophobicContact CZ-CB 4.07Å; F41-W74 HydrophobicContact CZ-CD2 4.24Å; F41-W74 AromaticContact CZ-CE3 3.71Å; F41-W74 HydrophobicContact CZ-CE3 3.71Å; F41-W74 HydrophobicContact CZ-CG 4.43Å; F41-W74 HydrophobicContact CZ-CZ3 4.46Å; Y44-W74 HydrophobicContact CE1-CB 4.26Å; Y44-W74 WeakPolarHBondContact CE1-O 3.35Å; Y44-W74 HydrophobicContact CE2-CB 3.89Å; Y44-W74 PolarHBondContact OH-N 3.36Å; Y44-W74 PolarHBondContact OH-O 3.31Å; P51-W74 HydrophobicContact CG-CB 4.03Å; P51-W74 HydrophobicContact CG-CD2 3.45Å; P51-W74 VanDerWaalsContact CG-CD2 3.45Å; P51-W74 VanDerWaalsContact CG-CE2 3.43Å; P51-W74 HydrophobicContact CG-CE3 4.25Å; P51-W74 HydrophobicContact CG-CG 3.3Å; P51-W74 HydrophobicContact CG-CZ2 4.18Å; P51-W74 VanDerWaalsContact CG-NE1 3.27Å; A57-W74 HydrophobicContact CB-CH2 3.78Å; A57-W74 HydrophobicContact CB-CZ2 4.44Å; A57-W74 HydrophobicContact CB-CZ3 4.47Å; I60-W74 HydrophobicContact CG2-CH2 4.21Å; Y61-W74 HydrophobicContact CD2-CZ2 4.23Å; V72-W74 HydrophobicContact CG1-CD2 4.39Å; V72-W74 HydrophobicContact CG1-CG 4.45Å; V72-W74 HydrophobicContact CG1-CZ2 4.4Å |
| 75 | V | 87.8 | Confident | 87.5 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.3 | 176.6 | -178 | 0 | 0 | 0 | 0 | 108.2 | R27 I28 V29 A30 I86 A92 | R27-V75 HydrophobicContact CB-CG2 4.17Å; I28-V75 PolarHBondContact O-N 2.83Å; V29-V75 CarbonylContact C-O 3.46Å; V29-V75 VanDerWaalsContact CA-O 3.26Å; V29-V75 WeakPolarHBondContact CA-O 3.45Å; V29-V75 HydrophobicContact CB-CB 4.09Å; V29-V75 HydrophobicContact CB-CG1 4.47Å; V29-V75 HydrophobicContact CG2-CB 4.33Å; V29-V75 HydrophobicContact CG2-CG1 4.29Å; A30-V75 PolarHBondContact N-O 2.99Å; V75-I86 HydrophobicContact CG1-CD1 4.36Å; V75-I86 HydrophobicContact CG1-CG2 4.09Å; V75-A92 HydrophobicContact CG2-CB 4.36Å |
| 76 | Y | 86 | Confident | 87.8 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 136.7 | 178 | 175.5 | -87.5 | 0 | 0 | 0 | 111.6 | P32 F41 N78 | P32-Y76 HydrophobicContact CG-CE2 4.13Å; F41-Y76 AromaticContact CD1-CD2 3.79Å; F41-Y76 HydrophobicContact CD1-CD2 3.79Å; F41-Y76 HydrophobicContact CE1-CD2 4.2Å; Y76-N78 WeakPolarHBondContact CE1-OD1 3.46Å; Y76-N78 PolarHBondContact OH-OD1 3.37Å |
| 77 | A | 87 | Confident | 88.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -125.4 | 158.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V29 A30 F31 E82 M83 I86 | V29-A77 HydrophobicContact CG2-CB 3.79Å; A30-A77 PolarHBondContact O-N 3.32Å; F31-A77 WeakPolarHBondContact CA-O 3.28Å; F31-A77 HydrophobicContact CB-CB 4.38Å; F31-A77 WeakPolarHBondContact CB-O 3.13Å; A77-E82 HydrophobicContact CB-CB 4.32Å; A77-E82 HydrophobicContact CB-CG 4.26Å; A77-M83 HydrophobicContact CB-CB 3.89Å; A77-I86 HydrophobicContact CB-CD1 4.03Å | ||
| 78 | N | 83 | Confident | 88.7 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -87.5 | -25.9 | 174.8 | -64.8 | -68 | 0 | 0 | 0 | 113 | Y76 E82 | Y76-N78 WeakPolarHBondContact CE1-OD1 3.46Å; Y76-N78 PolarHBondContact OH-OD1 3.37Å; N78-E82 WeakPolarHBondContact CA-OE2 3.45Å; N78-E82 WeakPolarHBondContact CB-OE2 3.2Å; N78-E82 VanDerWaalsContact CG-OE2 3.27Å; N78-E82 PolarHBondContact N-OE2 3.49Å; N78-E82 PolarHBondContact ND2-OE2 2.73Å |
| 79 | N | 83.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -161.9 | 179.4 | -177.6 | 57.7 | 47.9 | 0 | 0 | 0 | 111.5 | I81 E82 M83 | N79-I81 PolarHBondContact O-N 3.32Å; N79-I81 WeakPolarHBondContact OD1-CB 3.45Å; N79-I81 PolarHBondContact OD1-N 2.93Å; N79-E82 PolarHBondContact O-N 2.77Å; N79-E82 PolarHBondContact OD1-N 3.37Å; N79-M83 WeakPolarHBondContact O-CB 3.42Å; N79-M83 PolarHBondContact O-N 2.94Å |
| 80 | Y | 86.4 | Confident | 89.4 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 176.4 | -77.5 | -69.2 | 0 | 0 | 0 | 113.4 | F31 M83 R84 T97 S98 W99 S247 H248 Y251 | F31-Y80 AromaticContact CE1-CD1 3.73Å; F31-Y80 HydrophobicContact CE1-CD1 3.73Å; F31-Y80 AromaticContact CE1-CD2 3.87Å; F31-Y80 HydrophobicContact CE1-CD2 3.87Å; F31-Y80 AromaticContact CE1-CE1 3.78Å; F31-Y80 HydrophobicContact CE1-CE1 3.78Å; F31-Y80 AromaticContact CE1-CE2 3.94Å; F31-Y80 HydrophobicContact CE1-CE2 3.94Å; F31-Y80 AromaticContact CE1-CG 3.78Å; F31-Y80 HydrophobicContact CE1-CG 3.78Å; F31-Y80 AromaticContact CE1-CZ 3.88Å; F31-Y80 HydrophobicContact CZ-CD1 4.25Å; F31-Y80 AromaticContact CZ-CD2 3.6Å; F31-Y80 HydrophobicContact CZ-CD2 3.6Å; F31-Y80 HydrophobicContact CZ-CE1 4.1Å; F31-Y80 AromaticContact CZ-CE2 3.44Å; F31-Y80 HydrophobicContact CZ-CE2 3.44Å; F31-Y80 VanDerWaalsContact CZ-CE2 3.44Å; F31-Y80 HydrophobicContact CZ-CG 4.02Å; F31-Y80 AromaticContact CZ-CZ 3.7Å; Y80-M83 HydrophobicContact CD1-CE 3.49Å; Y80-M83 VanDerWaalsContact CD1-CE 3.49Å; Y80-M83 HydrophobicContact CE1-CE 3.88Å; Y80-M83 HydrophobicContact CG-CE 4.47Å; Y80-M83 PolarHBondContact O-N 2.98Å; Y80-R84 WeakPolarHBondContact O-CB 3.38Å; Y80-R84 PolarHBondContact O-N 2.75Å; Y80-T97 HydrophobicContact CE1-CG2 4.08Å; Y80-T97 WeakPolarHBondContact OH-CG2 3.22Å; Y80-S98 PolarHBondContact OH-O 3.32Å; Y80-W99 AromaticContact CD1-CD2 3.76Å; Y80-W99 HydrophobicContact CD1-CD2 3.76Å; Y80-W99 AromaticContact CD1-CE2 3.46Å; Y80-W99 VanDerWaalsContact CD1-CE2 3.46Å; Y80-W99 HydrophobicContact CD1-CE3 4.02Å; Y80-W99 HydrophobicContact CD1-CG 4.45Å; Y80-W99 AromaticContact CD1-CH2 3.84Å; Y80-W99 HydrophobicContact CD1-CH2 3.84Å; Y80-W99 AromaticContact CD1-CZ2 3.54Å; Y80-W99 HydrophobicContact CD1-CZ2 3.54Å; Y80-W99 HydrophobicContact CD1-CZ3 4.06Å; Y80-W99 AromaticContact CD1-NE1 3.91Å; Y80-W99 HydrophobicContact CE1-CD2 4.11Å; Y80-W99 HydrophobicContact CE1-CG 4.36Å; Y80-W99 HydrophobicContact CG-CH2 4.13Å; Y80-W99 HydrophobicContact CG-CZ2 4.22Å; Y80-W99 HydrophobicContact CG-CZ3 4.33Å; Y80-W99 WeakPolarHBondContact O-CH2 3.31Å; Y80-W99 VanDerWaalsContact O-CZ2 3.28Å; Y80-W99 WeakPolarHBondContact O-CZ2 3.25Å; Y80-S247 VanDerWaalsContact CD2-O 3.3Å; Y80-S247 WeakPolarHBondContact CD2-O 3.27Å; Y80-H248 AromaticContact CE2-CD2 3.86Å; Y80-Y251 HydrophobicContact CG-CD2 4.43Å |
| 81 | I | 86.8 | Confident | 89.7 | Confident | 66 Ų | 66 | 52 Ų | 52 | 34% | 0.338 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -48.4 | -178 | -67.6 | -175.8 | 0 | 0 | 0 | 110.2 | N79 M83 R84 Q85 Q250 Y251 | N79-I81 PolarHBondContact O-N 3.32Å; N79-I81 WeakPolarHBondContact OD1-CB 3.45Å; N79-I81 PolarHBondContact OD1-N 2.93Å; I81-M83 VanDerWaalsContact C-N 3.34Å; I81-R84 PolarHBondContact O-N 2.86Å; I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.14Å; I81-Q250 HydrophobicContact CD1-CB 3.95Å; I81-Q250 HydrophobicContact CD1-CG 4.27Å; I81-Q250 HydrophobicContact CG1-CB 4.25Å; I81-Q250 VanDerWaalsContact CG1-OE1 3.23Å; I81-Y251 HydrophobicContact CB-CE2 4.27Å; I81-Y251 HydrophobicContact CG1-CD2 4.34Å; I81-Y251 HydrophobicContact CG1-CE2 3.39Å |
| 82 | E | 89.4 | Confident | 89.9 | Confident | 69 Ų | 69 | 48.4 Ų | 48.4 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.3 | -174.5 | 175.5 | -166.2 | 0 | 0 | 110.9 | A77 N78 N79 R84 Q85 I86 | A77-E82 HydrophobicContact CB-CB 4.32Å; A77-E82 HydrophobicContact CB-CG 4.26Å; N78-E82 WeakPolarHBondContact CA-OE2 3.45Å; N78-E82 WeakPolarHBondContact CB-OE2 3.2Å; N78-E82 VanDerWaalsContact CG-OE2 3.27Å; N78-E82 PolarHBondContact N-OE2 3.49Å; N78-E82 PolarHBondContact ND2-OE2 2.73Å; N79-E82 PolarHBondContact O-N 2.77Å; N79-E82 PolarHBondContact OD1-N 3.37Å; E82-R84 VanDerWaalsContact C-N 3.29Å; E82-R84 PolarHBondContact O-N 3.25Å; E82-Q85 PolarHBondContact O-N 2.89Å; E82-Q85 VanDerWaalsContact O-N 3.13Å; E82-I86 HydrophobicContact CG-CD1 3.92Å; E82-I86 HydrophobicContact CG-CG1 4.41Å; E82-I86 WeakPolarHBondContact O-CB 3.37Å; E82-I86 VanDerWaalsContact O-CG1 3.27Å; E82-I86 WeakPolarHBondContact O-CG1 3.05Å; E82-I86 PolarHBondContact O-N 3.4Å |
| 83 | M | 90.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56 | -45 | 174 | -179.2 | 167.6 | 56.2 | 0 | 0 | 111.5 | V29 F31 A77 N79 Y80 I81 I86 L87 A95 W99 | V29-M83 HydrophobicContact CB-CG 4.16Å; V29-M83 HydrophobicContact CG1-CG 3.51Å; V29-M83 HydrophobicContact CG1-SD 4.24Å; V29-M83 HydrophobicContact CG2-CB 4.16Å; V29-M83 HydrophobicContact CG2-CG 3.75Å; F31-M83 HydrophobicContact CD1-CE 4.14Å; F31-M83 HydrophobicContact CE1-CE 3.97Å; A77-M83 HydrophobicContact CB-CB 3.89Å; N79-M83 WeakPolarHBondContact O-CB 3.42Å; N79-M83 PolarHBondContact O-N 2.94Å; Y80-M83 HydrophobicContact CD1-CE 3.49Å; Y80-M83 VanDerWaalsContact CD1-CE 3.49Å; Y80-M83 HydrophobicContact CE1-CE 3.88Å; Y80-M83 HydrophobicContact CG-CE 4.47Å; Y80-M83 PolarHBondContact O-N 2.98Å; I81-M83 VanDerWaalsContact C-N 3.34Å; M83-I86 PolarHBondContact O-N 3.39Å; M83-L87 WeakPolarHBondContact O-CG 3.48Å; M83-L87 PolarHBondContact O-N 2.89Å; M83-L87 VanDerWaalsContact O-N 3.08Å; M83-A95 HydrophobicContact SD-CB 4.06Å; M83-W99 HydrophobicContact CE-CZ2 3.61Å |
| 84 | R | 91.5 | Very high | 90.6 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 175.8 | -174.6 | 178.8 | 179.5 | -88.8 | 6.2 | 112.1 | Y80 I81 E82 I86 L87 L88 W99 E104 A105 E107 L109 Y251 | Y80-R84 WeakPolarHBondContact O-CB 3.38Å; Y80-R84 PolarHBondContact O-N 2.75Å; I81-R84 PolarHBondContact O-N 2.86Å; E82-R84 VanDerWaalsContact C-N 3.29Å; E82-R84 PolarHBondContact O-N 3.25Å; R84-I86 VanDerWaalsContact C-N 3.35Å; R84-L87 PolarHBondContact O-N 3.32Å; R84-L88 HydrophobicContact CG-CD1 4.11Å; R84-L88 VanDerWaalsContact NH1-CD1 3.32Å; R84-L88 WeakPolarHBondContact O-CG 3.32Å; R84-L88 PolarHBondContact O-N 3.03Å; R84-W99 HydrophobicContact CB-CH2 3.84Å; R84-W99 HydrophobicContact CB-CZ2 4.08Å; R84-E104 PolarHBondContact NE-O 2.94Å; R84-E104 PolarHBondContact NH2-O 2.86Å; R84-A105 PolarHBondContact NE-O 2.7Å; R84-E107 PolarHBondContact NH2-O 2.83Å; R84-L109 HydrophobicContact CG-CD1 3.9Å; R84-Y251 VanDerWaalsContact CD-OH 3.31Å; R84-Y251 WeakPolarHBondContact CD-OH 3.47Å |
| 85 | Q | 93.1 | Very high | 90.9 | Very high | 114 Ų | 114 | 43.3 Ų | 43.3 | 53% | 0.533 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.8 | -71.7 | -141.1 | -9.5 | 0 | 0 | 112.3 | I81 E82 L87 L88 N89 | I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.14Å; E82-Q85 PolarHBondContact O-N 2.89Å; E82-Q85 VanDerWaalsContact O-N 3.13Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 2.93Å; Q85-L88 PolarHBondContact O-N 2.68Å; Q85-N89 VanDerWaalsContact O-CB 3.28Å; Q85-N89 WeakPolarHBondContact O-CB 3.26Å; Q85-N89 PolarHBondContact O-N 3.5Å; Q85-N89 PolarHBondContact O-ND2 3.14Å |
| 86 | I | 95 | Very high | 91 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 176 | -70.6 | 168 | 0 | 0 | 0 | 110.8 | V29 V75 A77 E82 M83 R84 N90 S91 A92 | V29-I86 HydrophobicContact CB-CG2 4.07Å; V29-I86 HydrophobicContact CG1-CG2 4.35Å; V29-I86 HydrophobicContact CG2-CB 4.2Å; V29-I86 HydrophobicContact CG2-CD1 3.83Å; V29-I86 HydrophobicContact CG2-CG2 3.93Å; V75-I86 HydrophobicContact CG1-CD1 4.36Å; V75-I86 HydrophobicContact CG1-CG2 4.09Å; A77-I86 HydrophobicContact CB-CD1 4.03Å; E82-I86 HydrophobicContact CG-CD1 3.92Å; E82-I86 HydrophobicContact CG-CG1 4.41Å; E82-I86 WeakPolarHBondContact O-CB 3.37Å; E82-I86 VanDerWaalsContact O-CG1 3.27Å; E82-I86 WeakPolarHBondContact O-CG1 3.05Å; E82-I86 PolarHBondContact O-N 3.4Å; M83-I86 PolarHBondContact O-N 3.39Å; R84-I86 VanDerWaalsContact C-N 3.35Å; I86-N90 PolarHBondContact O-N 2.51Å; I86-S91 PolarHBondContact O-N 3.28Å; I86-A92 HydrophobicContact CG2-CB 3.58Å; I86-A92 PolarHBondContact O-N 3.22Å |
| 87 | L | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 174.8 | -70.3 | 169.2 | 0 | 0 | 0 | 112.1 | V29 M83 R84 Q85 N89 N90 A92 A95 L109 L338 | V29-L87 HydrophobicContact CG1-CD1 4.26Å; V29-L87 HydrophobicContact CG1-CD2 3.78Å; V29-L87 HydrophobicContact CG1-CG 3.75Å; M83-L87 WeakPolarHBondContact O-CG 3.48Å; M83-L87 PolarHBondContact O-N 2.89Å; M83-L87 VanDerWaalsContact O-N 3.08Å; R84-L87 PolarHBondContact O-N 3.32Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 2.93Å; L87-N89 VanDerWaalsContact C-N 3.27Å; L87-N89 PolarHBondContact O-N 3.1Å; L87-N90 PolarHBondContact O-N 2.67Å; L87-A92 HydrophobicContact CD2-CB 4.18Å; L87-A95 HydrophobicContact CD1-CB 4.09Å; L87-L109 HydrophobicContact CB-CD1 4.06Å; L87-L109 HydrophobicContact CB-CD2 3.82Å; L87-L109 HydrophobicContact CD1-CD1 4.21Å; L87-L338 HydrophobicContact CD1-CB 3.89Å |
| 88 | L | 94.7 | Very high | 91.2 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -34.8 | 178.5 | -74.8 | 169.9 | 0 | 0 | 0 | 112.5 | R84 Q85 N90 L109 | R84-L88 HydrophobicContact CG-CD1 4.11Å; R84-L88 VanDerWaalsContact NH1-CD1 3.32Å; R84-L88 WeakPolarHBondContact O-CG 3.32Å; R84-L88 PolarHBondContact O-N 3.03Å; Q85-L88 PolarHBondContact O-N 2.68Å; L88-N90 PolarHBondContact O-N 2.97Å; L88-L109 HydrophobicContact CD2-CD2 3.83Å; L88-L109 HydrophobicContact CD2-CG 3.83Å; L88-L109 HydrophobicContact CG-CD1 4.38Å; L88-L109 HydrophobicContact CG-CD2 4.13Å; L88-L109 HydrophobicContact CG-CG 4.19Å |
| 89 | N | 95.2 | Very high | 91.5 | Very high | 107 Ų | 107 | 34.4 Ų | 34.4 | 57% | 0.572 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 6.8 | 177 | -66.9 | -18.5 | 0 | 0 | 0 | 113.1 | Q85 L87 S91 | Q85-N89 VanDerWaalsContact O-CB 3.28Å; Q85-N89 WeakPolarHBondContact O-CB 3.26Å; Q85-N89 PolarHBondContact O-N 3.5Å; Q85-N89 PolarHBondContact O-ND2 3.14Å; L87-N89 VanDerWaalsContact C-N 3.27Å; L87-N89 PolarHBondContact O-N 3.1Å; N89-S91 PolarHBondContact O-N 3.24Å |
| 90 | N | 92.8 | Very high | 91.6 | Very high | 97 Ų | 97 | 33 Ų | 33 | 52% | 0.519 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 23.4 | -176.5 | -59.8 | -49.9 | 0 | 0 | 0 | 114.2 | R27 I86 L87 L88 | R27-N90 PolarHBondContact NH1-O 2.89Å; R27-N90 PolarHBondContact NH2-O 3.1Å; I86-N90 PolarHBondContact O-N 2.51Å; L87-N90 PolarHBondContact O-N 2.67Å; L88-N90 PolarHBondContact O-N 2.97Å |
| 91 | S | 94.2 | Very high | 91.5 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 44% | 0.441 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -81.1 | -21.7 | 176.9 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | R27 I86 N89 | R27-S91 PolarHBondContact NH1-O 3.48Å; I86-S91 PolarHBondContact O-N 3.28Å; N89-S91 PolarHBondContact O-N 3.24Å |
| 92 | A | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -132.1 | 165.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R27 V29 V75 I86 L87 N340 | R27-A92 HydrophobicContact CB-CB 4.27Å; V29-A92 HydrophobicContact CB-CB 3.58Å; V29-A92 HydrophobicContact CG1-CB 3.56Å; V75-A92 HydrophobicContact CG2-CB 4.36Å; I86-A92 HydrophobicContact CG2-CB 3.58Å; I86-A92 PolarHBondContact O-N 3.22Å; L87-A92 HydrophobicContact CD2-CB 4.18Å; A92-N340 PolarHBondContact O-ND2 2.98Å; A92-N340 VanDerWaalsContact O-ND2 3.07Å | ||
| 93 | D | 94.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -103.9 | -32.7 | -175.2 | -54.2 | -56.8 | 0 | 0 | 0 | 112.6 | V26 R27 C339 N340 L344 | V26-D93 HydrophobicContact CG1-CB 4.15Å; R27-D93 WeakPolarHBondContact CB-OD2 3.28Å; R27-D93 IonicContact CZ-OD1 3.71Å; R27-D93 IonicContact CZ-OD2 2.68Å; R27-D93 PolarHBondContact N-OD2 2.98Å; R27-D93 IonicContact NE-OD1 2.65Å; R27-D93 IonicContact NE-OD2 2.99Å; R27-D93 PolarHBondContact NE-OD2 3.02Å; R27-D93 IonicContact NH2-OD1 3.53Å; R27-D93 PolarHBondContact NH2-OD1 3.05Å; R27-D93 IonicContact NH2-OD2 3.45Å; R27-D93 PolarHBondContact O-N 2.98Å; D93-C339 WeakPolarHBondContact O-CA 3.23Å; D93-N340 WeakPolarHBondContact CA-ND2 3.46Å; D93-N340 PolarHBondContact O-N 2.89Å; D93-N340 PolarHBondContact O-OD1 3.5Å; D93-N340 PolarHBondContact OD1-ND2 2.82Å; D93-N340 VanDerWaalsContact OD1-ND2 3.12Å; D93-L344 HydrophobicContact CB-CD2 4.06Å; D93-L344 WeakPolarHBondContact O-CD2 3.4Å |
| 94 | L | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 142.5 | -170.2 | 178.1 | 58 | 0 | 0 | 0 | 111.2 | V26 R27 I28 V29 I60 V64 F337 L338 C339 L344 L348 | V26-L94 HydrophobicContact CG1-CB 4.18Å; V26-L94 HydrophobicContact CG1-CD2 4.32Å; R27-L94 PolarHBondContact O-N 2.82Å; I28-L94 CarbonylContact C-O 3.55Å; I28-L94 VanDerWaalsContact CA-O 3.3Å; I28-L94 WeakPolarHBondContact CA-O 3.18Å; I28-L94 HydrophobicContact CD1-CD2 4.21Å; I28-L94 HydrophobicContact CG1-CB 4.34Å; I28-L94 HydrophobicContact CG1-CD2 4.28Å; V29-L94 WeakPolarHBondContact CG1-O 3.4Å; V29-L94 PolarHBondContact N-O 3.01Å; I60-L94 HydrophobicContact CD1-CD1 4.42Å; I60-L94 HydrophobicContact CD1-CD2 3.84Å; I60-L94 HydrophobicContact CD1-CG 4.47Å; I60-L94 HydrophobicContact CG1-CD1 4.48Å; I60-L94 HydrophobicContact CG1-CD2 3.45Å; I60-L94 VanDerWaalsContact CG1-CD2 3.45Å; I60-L94 HydrophobicContact CG1-CG 4.05Å; V64-L94 HydrophobicContact CG2-CD2 3.95Å; L94-F337 HydrophobicContact CD1-CB 4.07Å; L94-L338 CarbonylContact C-O 3.52Å; L94-L338 WeakPolarHBondContact CD1-O 3.38Å; L94-C339 VanDerWaalsContact CD1-SG 3.56Å; L94-L344 HydrophobicContact CB-CD2 4.26Å; L94-L348 HydrophobicContact CD1-CD1 3.64Å; L94-L348 HydrophobicContact CD2-CD1 3.97Å; L94-L348 HydrophobicContact CD2-CD2 4.47Å; L94-L348 HydrophobicContact CG-CD1 4.46Å |
| 95 | A | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V29 M83 L87 F337 L338 | V29-A95 CarbonylContact O-C 3.56Å; M83-A95 HydrophobicContact SD-CB 4.06Å; L87-A95 HydrophobicContact CD1-CB 4.09Å; A95-F337 WeakPolarHBondContact O-CD1 3.4Å; A95-L338 HydrophobicContact CB-CB 4.17Å; A95-L338 PolarHBondContact N-O 3.02Å |
| 96 | G | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -95.8 | -6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V29 D56 | V29-G96 PolarHBondContact O-N 3.46Å; D56-G96 WeakPolarHBondContact CB-O 3.17Å |
| 97 | T | 88.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -120 | 135.1 | 170.6 | -49.2 | 0 | 0 | 0 | 0 | 107.4 | F31 Y80 | F31-T97 HydrophobicContact CE1-CG2 4.46Å; Y80-T97 HydrophobicContact CE1-CG2 4.08Å; Y80-T97 WeakPolarHBondContact OH-CG2 3.22Å |
| 98 | S | 89 | Confident | 88.4 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | trans | -70.5 | 157.3 | 178.6 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | D56 Y80 F335 V336 | D56-S98 VanDerWaalsContact OD2-CB 3.26Å; D56-S98 WeakPolarHBondContact OD2-CB 3.5Å; D56-S98 PolarHBondContact OD2-N 3.19Å; D56-S98 PolarHBondContact OD2-OG 3.22Å; Y80-S98 PolarHBondContact OH-O 3.32Å; S98-F335 WeakPolarHBondContact OG-CD1 3.37Å; S98-V336 CarbonylContact C-O 3.42Å; S98-V336 WeakPolarHBondContact CA-O 3.45Å | ||
| 99 | W | 88.4 | Confident | 88.3 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.1 | -174.8 | -74.4 | 70.5 | 0 | 0 | 0 | 110.5 | Y80 M83 R84 L101 A105 Y251 F335 V336 L338 | Y80-W99 AromaticContact CD1-CD2 3.76Å; Y80-W99 HydrophobicContact CD1-CD2 3.76Å; Y80-W99 AromaticContact CD1-CE2 3.46Å; Y80-W99 VanDerWaalsContact CD1-CE2 3.46Å; Y80-W99 HydrophobicContact CD1-CE3 4.02Å; Y80-W99 HydrophobicContact CD1-CG 4.45Å; Y80-W99 AromaticContact CD1-CH2 3.84Å; Y80-W99 HydrophobicContact CD1-CH2 3.84Å; Y80-W99 AromaticContact CD1-CZ2 3.54Å; Y80-W99 HydrophobicContact CD1-CZ2 3.54Å; Y80-W99 HydrophobicContact CD1-CZ3 4.06Å; Y80-W99 AromaticContact CD1-NE1 3.91Å; Y80-W99 HydrophobicContact CE1-CD2 4.11Å; Y80-W99 HydrophobicContact CE1-CG 4.36Å; Y80-W99 HydrophobicContact CG-CH2 4.13Å; Y80-W99 HydrophobicContact CG-CZ2 4.22Å; Y80-W99 HydrophobicContact CG-CZ3 4.33Å; Y80-W99 WeakPolarHBondContact O-CH2 3.31Å; Y80-W99 VanDerWaalsContact O-CZ2 3.28Å; Y80-W99 WeakPolarHBondContact O-CZ2 3.25Å; M83-W99 HydrophobicContact CE-CZ2 3.61Å; R84-W99 HydrophobicContact CB-CH2 3.84Å; R84-W99 HydrophobicContact CB-CZ2 4.08Å; W99-L101 PolarHBondContact O-N 2.89Å; W99-A105 HydrophobicContact CE3-CB 3.73Å; W99-A105 HydrophobicContact CZ3-CB 3.89Å; W99-Y251 HydrophobicContact CH2-CD2 4.31Å; W99-Y251 HydrophobicContact CH2-CE1 4.44Å; W99-Y251 AromaticContact CH2-CE2 3.75Å; W99-Y251 HydrophobicContact CH2-CE2 3.75Å; W99-Y251 AromaticContact CH2-CZ 3.83Å; W99-Y251 HydrophobicContact CZ3-CD1 4.03Å; W99-Y251 AromaticContact CZ3-CD2 3.88Å; W99-Y251 HydrophobicContact CZ3-CD2 3.88Å; W99-Y251 AromaticContact CZ3-CE1 3.88Å; W99-Y251 HydrophobicContact CZ3-CE1 3.88Å; W99-Y251 AromaticContact CZ3-CE2 3.7Å; W99-Y251 HydrophobicContact CZ3-CE2 3.7Å; W99-Y251 HydrophobicContact CZ3-CG 4.03Å; W99-Y251 AromaticContact CZ3-CZ 3.69Å; W99-F335 CarbonylContact O-C 3.47Å; W99-F335 VanDerWaalsContact O-CA 3.27Å; W99-F335 WeakPolarHBondContact O-CA 3.4Å; W99-V336 PolarHBondContact N-O 3.2Å; W99-V336 PolarHBondContact O-N 3.47Å; W99-L338 HydrophobicContact CB-CD1 4.47Å; W99-L338 HydrophobicContact CB-CG 4.27Å; W99-L338 HydrophobicContact CD2-CD1 3.57Å; W99-L338 HydrophobicContact CD2-CG 4.21Å; W99-L338 HydrophobicContact CE3-CD1 4.12Å; W99-L338 HydrophobicContact CG-CD1 3.76Å; W99-L338 HydrophobicContact CG-CG 3.84Å; W99-L338 HydrophobicContact CH2-CD1 4.48Å; W99-L338 HydrophobicContact CZ2-CD1 3.99Å |
| 100 | T | 85.7 | Confident | 88.3 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 133.4 | 162.6 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | E102 F307 E333 R334 F335 | T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 PolarHBondContact O-N 3.3Å; T100-E102 VanDerWaalsContact OG1-CD 3.31Å; T100-E102 PolarHBondContact OG1-OE1 3.32Å; T100-F307 HydrophobicContact CG2-CE1 4.03Å; T100-F307 HydrophobicContact CG2-CZ 3.81Å; T100-E333 HydrophobicContact CG2-CB 3.96Å; T100-E333 HydrophobicContact CG2-CG 4.27Å; T100-R334 CarbonylContact C-O 3.52Å; T100-R334 WeakPolarHBondContact CA-O 3.4Å; T100-F335 HydrophobicContact CG2-CE1 4.03Å; T100-F335 HydrophobicContact CG2-CE2 4.35Å; T100-F335 HydrophobicContact CG2-CZ 3.88Å |
| 101 | L | 85.2 | Confident | 88.3 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | trans | -71.8 | 84.5 | -179.3 | -173.7 | 70.2 | 0 | 0 | 0 | 110.6 | W99 I106 Y111 R334 V336 | W99-L101 PolarHBondContact O-N 2.89Å; L101-I106 HydrophobicContact CD1-CD1 4.39Å; L101-I106 HydrophobicContact CD1-CG2 3.93Å; L101-Y111 HydrophobicContact CD1-CD1 4.27Å; L101-Y111 HydrophobicContact CD1-CD2 3.56Å; L101-Y111 HydrophobicContact CD1-CE1 4.26Å; L101-Y111 HydrophobicContact CD1-CE2 3.57Å; L101-Y111 HydrophobicContact CD1-CG 3.95Å; L101-Y111 HydrophobicContact CD2-CE2 4.5Å; L101-R334 HydrophobicContact CB-CB 3.98Å; L101-R334 WeakPolarHBondContact CB-O 3.3Å; L101-R334 HydrophobicContact CD2-CB 4.48Å; L101-R334 PolarHBondContact N-O 3.33Å; L101-V336 HydrophobicContact CB-CG1 4.48Å; L101-V336 HydrophobicContact CB-CG2 4.38Å; L101-V336 HydrophobicContact CD1-CG1 4.14Å; L101-V336 HydrophobicContact CD1-CG2 3.83Å | ||
| 102 | E | 79 | Confident | 88.3 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | trans | -113.9 | 138.9 | -178 | -68.4 | 176 | -164.3 | 0 | 0 | 111.9 | T100 E104 A105 I106 F253 | T100-E102 VanDerWaalsContact C-N 3.29Å; T100-E102 PolarHBondContact O-N 3.3Å; T100-E102 VanDerWaalsContact OG1-CD 3.31Å; T100-E102 PolarHBondContact OG1-OE1 3.32Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.12Å; E102-A105 HydrophobicContact CB-CB 3.98Å; E102-A105 PolarHBondContact O-N 2.77Å; E102-I106 WeakPolarHBondContact O-CG1 3.05Å; E102-I106 PolarHBondContact O-N 3.31Å; E102-F253 VanDerWaalsContact OE1-CB 3.26Å; E102-F253 WeakPolarHBondContact OE1-CB 3.28Å | ||
| 103 | P | 78 | Confident | 88.1 | Confident | 71 Ų | 71 | 39.5 Ų | 39.5 | 46% | 0.461 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -52.9 | -44.1 | 179.3 | -25.7 | 34.1 | 0 | 0 | 0 | 113.6 | I106 E107 | P103-I106 WeakPolarHBondContact O-CG1 3.36Å; P103-E107 WeakPolarHBondContact O-CB 3.4Å; P103-E107 PolarHBondContact O-N 3.27Å; P103-E107 VanDerWaalsContact O-N 3.08Å |
| 104 | E | 79.7 | Confident | 87.9 | Confident | 113 Ų | 113 | 40 Ų | 40 | 53% | 0.528 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.1 | -37.5 | -178 | -59.9 | 81.2 | -178.3 | 0 | 0 | 111.7 | R84 E102 | R84-E104 PolarHBondContact NE-O 2.94Å; R84-E104 PolarHBondContact NH2-O 2.86Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.12Å |
| 105 | A | 79.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | R84 W99 E102 Y251 | R84-A105 PolarHBondContact NE-O 2.7Å; W99-A105 HydrophobicContact CE3-CB 3.73Å; W99-A105 HydrophobicContact CZ3-CB 3.89Å; E102-A105 HydrophobicContact CB-CB 3.98Å; E102-A105 PolarHBondContact O-N 2.77Å; A105-Y251 HydrophobicContact CB-CD1 4.47Å; A105-Y251 HydrophobicContact CB-CE1 4.47Å |
| 106 | I | 85.3 | Confident | 87.4 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.185 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -81.1 | -13.1 | -177.3 | 70.3 | -174.8 | 0 | 0 | 0 | 114.1 | L101 E102 P103 G108 L109 Y111 L338 | L101-I106 HydrophobicContact CD1-CD1 4.39Å; L101-I106 HydrophobicContact CD1-CG2 3.93Å; E102-I106 WeakPolarHBondContact O-CG1 3.05Å; E102-I106 PolarHBondContact O-N 3.31Å; P103-I106 WeakPolarHBondContact O-CG1 3.36Å; I106-G108 PolarHBondContact O-N 3.13Å; I106-G108 VanDerWaalsContact O-N 3.14Å; I106-L109 PolarHBondContact O-N 3.41Å; I106-Y111 HydrophobicContact CB-CD1 4.06Å; I106-Y111 HydrophobicContact CB-CE1 4.45Å; I106-Y111 HydrophobicContact CD1-CD1 4.27Å; I106-Y111 HydrophobicContact CD1-CE1 3.82Å; I106-Y111 HydrophobicContact CG2-CD1 3.88Å; I106-Y111 HydrophobicContact CG2-CE1 4.44Å; I106-Y111 HydrophobicContact CG2-CG 4.33Å; I106-L338 HydrophobicContact CG2-CD2 3.9Å |
| 107 | E | 85.7 | Confident | 87.2 | Confident | 138 Ų | 138 | 45.9 Ų | 45.9 | 65% | 0.645 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 121 | -176.4 | -172.5 | 177.6 | -166.2 | 0 | 0 | 111.6 | R84 P103 L109 | R84-E107 PolarHBondContact NH2-O 2.83Å; P103-E107 WeakPolarHBondContact O-CB 3.4Å; P103-E107 PolarHBondContact O-N 3.27Å; P103-E107 VanDerWaalsContact O-N 3.08Å; E107-L109 VanDerWaalsContact C-N 3.32Å |
| 108 | G | 88.3 | Confident | 87 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 67% | 0.67 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 1.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I106 | I106-G108 PolarHBondContact O-N 3.13Å; I106-G108 VanDerWaalsContact O-N 3.14Å |
| 109 | L | 93.6 | Very high | 86.8 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -123.4 | 168.7 | 178.6 | -66.4 | 173.7 | 0 | 0 | 0 | 111.1 | R84 L87 L88 I106 E107 L338 | R84-L109 HydrophobicContact CG-CD1 3.9Å; L87-L109 HydrophobicContact CB-CD1 4.06Å; L87-L109 HydrophobicContact CB-CD2 3.82Å; L87-L109 HydrophobicContact CD1-CD1 4.21Å; L88-L109 HydrophobicContact CD2-CD2 3.83Å; L88-L109 HydrophobicContact CD2-CG 3.83Å; L88-L109 HydrophobicContact CG-CD1 4.38Å; L88-L109 HydrophobicContact CG-CD2 4.13Å; L88-L109 HydrophobicContact CG-CG 4.19Å; I106-L109 PolarHBondContact O-N 3.41Å; E107-L109 VanDerWaalsContact C-N 3.32Å; L109-L338 HydrophobicContact CD1-CB 4.34Å; L109-L338 HydrophobicContact CD1-CD1 3.98Å |
| 110 | W | 94.1 | Very high | 86.7 | Confident | 141 Ų | 141 | 46.1 Ų | 46.1 | 53% | 0.534 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 159.6 | 171.1 | -60.9 | 87.8 | 0 | 0 | 0 | 109.2 | L338 C339 A342 A345 | W110-L338 CarbonylContact O-C 3.51Å; W110-L338 WeakPolarHBondContact O-CA 3.29Å; W110-C339 HydrophobicContact CB-CB 4.27Å; W110-C339 PolarHBondContact N-O 2.87Å; W110-C339 PolarHBondContact O-N 3.49Å; W110-A342 VanDerWaalsContact CD1-N 3.27Å; W110-A342 HydrophobicContact CD2-CB 3.57Å; W110-A342 HydrophobicContact CE3-CB 3.79Å; W110-A342 HydrophobicContact CG-CB 4.13Å; W110-A342 HydrophobicContact CH2-CB 3.99Å; W110-A342 HydrophobicContact CZ2-CB 3.79Å; W110-A342 HydrophobicContact CZ3-CB 3.99Å; W110-A345 HydrophobicContact CB-CB 4.13Å |
| 111 | Y | 93.6 | Very high | 86.8 | Confident | 103 Ų | 103 | 45.7 Ų | 45.7 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 153.4 | -179.6 | 59 | -87.6 | 0 | 0 | 0 | 111.6 | L101 I106 V336 F337 | L101-Y111 HydrophobicContact CD1-CD1 4.27Å; L101-Y111 HydrophobicContact CD1-CD2 3.56Å; L101-Y111 HydrophobicContact CD1-CE1 4.26Å; L101-Y111 HydrophobicContact CD1-CE2 3.57Å; L101-Y111 HydrophobicContact CD1-CG 3.95Å; L101-Y111 HydrophobicContact CD2-CE2 4.5Å; I106-Y111 HydrophobicContact CB-CD1 4.06Å; I106-Y111 HydrophobicContact CB-CE1 4.45Å; I106-Y111 HydrophobicContact CD1-CD1 4.27Å; I106-Y111 HydrophobicContact CD1-CE1 3.82Å; I106-Y111 HydrophobicContact CG2-CD1 3.88Å; I106-Y111 HydrophobicContact CG2-CE1 4.44Å; I106-Y111 HydrophobicContact CG2-CG 4.33Å; Y111-V336 HydrophobicContact CD2-CB 4.42Å; Y111-V336 HydrophobicContact CD2-CG1 4.21Å; Y111-V336 HydrophobicContact CD2-CG2 4.4Å; Y111-V336 HydrophobicContact CG-CG2 4.42Å; Y111-F337 CarbonylContact C-O 3.6Å; Y111-F337 VanDerWaalsContact CA-O 3.28Å; Y111-F337 WeakPolarHBondContact CA-O 3.39Å |
| 112 | T | 93.2 | Very high | 87 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 168.2 | 174.8 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | V336 F337 L348 N349 I352 | T112-V336 VanDerWaalsContact O-CG1 3.29Å; T112-V336 WeakPolarHBondContact O-CG1 3.35Å; T112-F337 HydrophobicContact CG2-CB 3.94Å; T112-F337 PolarHBondContact N-O 3.33Å; T112-F337 PolarHBondContact OG1-N 3.29Å; T112-L348 HydrophobicContact CG2-CB 3.97Å; T112-L348 HydrophobicContact CG2-CD1 3.97Å; T112-N349 WeakPolarHBondContact CA-OD1 3.37Å; T112-N349 WeakPolarHBondContact CB-OD1 3.41Å; T112-I352 HydrophobicContact CG2-CD1 3.56Å |
| 113 | N | 91.4 | Very high | 87.5 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 159.6 | 161.8 | -77.8 | -49.8 | 0 | 0 | 0 | 110.6 | V115 N349 I352 L353 | N113-V115 PolarHBondContact O-N 3.45Å; N113-N349 PolarHBondContact N-OD1 2.97Å; N113-I352 HydrophobicContact CB-CG2 4.46Å; N113-L353 HydrophobicContact CB-CD2 3.93Å; N113-L353 HydrophobicContact CB-CG 4.28Å; N113-L353 VanDerWaalsContact ND2-CD1 3.31Å; N113-L353 WeakPolarHBondContact ND2-CD1 3.43Å; N113-L353 WeakPolarHBondContact ND2-CD2 3.34Å; N113-L353 VanDerWaalsContact ND2-CG 3.33Å; N113-L353 WeakPolarHBondContact ND2-CG 3.47Å |
| 114 | V | 89.9 | Confident | 88 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 126.3 | -179 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | V116 Y117 R334 F335 V336 | V114-V116 VanDerWaalsContact CG1-O 3.24Å; V114-V116 WeakPolarHBondContact CG1-O 3.26Å; V114-Y117 HydrophobicContact CB-CE2 4.16Å; V114-Y117 HydrophobicContact CG1-CD1 4.19Å; V114-Y117 HydrophobicContact CG1-CD2 3.94Å; V114-Y117 HydrophobicContact CG1-CE1 3.91Å; V114-Y117 HydrophobicContact CG1-CE2 3.62Å; V114-Y117 HydrophobicContact CG1-CG 4.21Å; V114-R334 HydrophobicContact CG1-CB 3.98Å; V114-R334 HydrophobicContact CG2-CB 3.86Å; V114-R334 HydrophobicContact CG2-CG 4.31Å; V114-F335 WeakPolarHBondContact CA-O 3.46Å; V114-V336 HydrophobicContact CG2-CG1 4.27Å |
| 115 | V | 89.5 | Confident | 88.2 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | trans | -93.6 | -46.4 | 179.4 | -169.4 | 0 | 0 | 0 | 0 | 110 | F59 N113 F335 F337 I352 A361 | F59-V115 HydrophobicContact CD1-CG1 4.35Å; F59-V115 HydrophobicContact CE1-CG1 3.73Å; F59-V115 HydrophobicContact CE1-CG2 4.42Å; F59-V115 HydrophobicContact CE2-CG1 4.39Å; F59-V115 HydrophobicContact CZ-CG1 3.75Å; N113-V115 PolarHBondContact O-N 3.45Å; V115-F335 PolarHBondContact N-O 3.33Å; V115-F337 HydrophobicContact CG1-CE2 4.49Å; V115-F337 HydrophobicContact CG2-CD2 3.8Å; V115-F337 HydrophobicContact CG2-CE2 3.87Å; V115-I352 HydrophobicContact CG2-CD1 4.39Å; V115-I352 HydrophobicContact CG2-CG2 3.89Å; V115-A361 HydrophobicContact CG1-CB 3.67Å | ||
| 116 | V | 87.6 | Confident | 87.9 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.7 | -178.5 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | V114 F335 A361 Y362 L365 | V114-V116 VanDerWaalsContact CG1-O 3.24Å; V114-V116 WeakPolarHBondContact CG1-O 3.26Å; V116-F335 HydrophobicContact CB-CB 4.29Å; V116-F335 PolarHBondContact O-N 3.1Å; V116-A361 HydrophobicContact CG2-CB 4.11Å; V116-Y362 HydrophobicContact CG1-CE1 4Å; V116-L365 HydrophobicContact CG1-CD1 4.19Å; V116-L365 HydrophobicContact CG2-CD1 3.86Å |
| 117 | Y | 86.3 | Confident | 87.1 | Confident | 107 Ų | 107 | 41.8 Ų | 41.8 | 42% | 0.42 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.6 | 167.8 | -68.5 | -92.3 | 0 | 0 | 0 | 107.9 | V114 E333 R334 | V114-Y117 HydrophobicContact CB-CE2 4.16Å; V114-Y117 HydrophobicContact CG1-CD1 4.19Å; V114-Y117 HydrophobicContact CG1-CD2 3.94Å; V114-Y117 HydrophobicContact CG1-CE1 3.91Å; V114-Y117 HydrophobicContact CG1-CE2 3.62Å; V114-Y117 HydrophobicContact CG1-CG 4.21Å; Y117-E333 WeakPolarHBondContact CA-O 3.21Å; Y117-R334 HydrophobicContact CD1-CG 3.98Å; Y117-R334 HydrophobicContact CE1-CG 3.77Å |
| 118 | D | 85.2 | Confident | 85.8 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 9% | 0.086 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 166.8 | 177.7 | -161.9 | 20.4 | 0 | 0 | 0 | 112.3 | F307 A308 E309 Q332 E333 F335 | D118-F307 VanDerWaalsContact OD2-CB 3.3Å; D118-F307 WeakPolarHBondContact OD2-CB 3.41Å; D118-A308 WeakPolarHBondContact OD1-CB 3.29Å; D118-A308 PolarHBondContact OD2-N 3.27Å; D118-E309 PolarHBondContact OD1-N 2.98Å; D118-E309 VanDerWaalsContact OD2-CB 3.28Å; D118-E309 WeakPolarHBondContact OD2-CB 3.34Å; D118-E309 WeakPolarHBondContact OD2-CG 3.38Å; D118-E309 PolarHBondContact OD2-N 2.98Å; D118-Q332 CarbonylContact O-C 3.59Å; D118-Q332 VanDerWaalsContact O-CA 3.3Å; D118-Q332 WeakPolarHBondContact O-CA 3.24Å; D118-E333 PolarHBondContact N-O 3.36Å; D118-E333 VanDerWaalsContact N-O 3.09Å; D118-E333 WeakPolarHBondContact O-CA 3.49Å; D118-E333 PolarHBondContact O-N 3.26Å; D118-F335 HydrophobicContact CB-CD2 4.26Å; D118-F335 HydrophobicContact CB-CE2 3.72Å |
| 119 | G | 83.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | trans | -121.3 | 163.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | A308 | G119-A308 WeakPolarHBondContact O-CB 3.4Å; G119-A308 PolarHBondContact O-N 3.36Å | ||
| 120 | I | 86.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 137.9 | 169.2 | -54.4 | -178.9 | 0 | 0 | 0 | 108.9 | F253 S257 L258 V305 L326 L330 | I120-F253 HydrophobicContact CD1-CD2 3.66Å; I120-F253 HydrophobicContact CD1-CE2 4.03Å; I120-F253 HydrophobicContact CG1-CD2 3.82Å; I120-F253 HydrophobicContact CG1-CE2 3.9Å; I120-S257 VanDerWaalsContact CD1-CB 3.46Å; I120-L258 HydrophobicContact CB-CD1 4.38Å; I120-L258 HydrophobicContact CD1-CD1 3.84Å; I120-L258 HydrophobicContact CG2-CD1 3.71Å; I120-V305 HydrophobicContact CG2-CG1 3.69Å; I120-L326 HydrophobicContact CG2-CD1 4.45Å; I120-L326 VanDerWaalsContact O-CB 3.28Å; I120-L326 WeakPolarHBondContact O-CB 3.44Å; I120-L326 PolarHBondContact O-N 3.44Å; I120-L330 HydrophobicContact CB-CD1 4.26Å; I120-L330 HydrophobicContact CD1-CD1 4.23Å |
| 121 | A | 88.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 155.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.7 | D306 A308 V323 V324 | A121-D306 PolarHBondContact N-O 3.39Å; A121-D306 PolarHBondContact O-N 3.16Å; A121-A308 HydrophobicContact CB-CB 3.88Å; A121-V323 HydrophobicContact CB-CG1 3.52Å; A121-V324 VanDerWaalsContact CA-O 3.28Å; A121-V324 WeakPolarHBondContact CA-O 3.45Å |
| 122 | L | 89.4 | Confident | 78.7 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.2 | 169.2 | -60.9 | 177.6 | 0 | 0 | 0 | 108.8 | L228 L231 I303 G304 V305 V324 L326 | L122-L228 HydrophobicContact CD1-CD2 3.79Å; L122-L231 HydrophobicContact CD1-CD2 3.58Å; L122-I303 HydrophobicContact CB-CG2 4.35Å; L122-I303 HydrophobicContact CD2-CG2 4.28Å; L122-G304 WeakPolarHBondContact CA-O 3.21Å; L122-V305 HydrophobicContact CD2-CG2 3.93Å; L122-V324 PolarHBondContact N-O 3.32Å; L122-V324 PolarHBondContact O-N 3.43Å; L122-L326 HydrophobicContact CD1-CD1 4.14Å; L122-L326 HydrophobicContact CD1-CD2 4.06Å; L122-L326 HydrophobicContact CD1-CG 4.48Å; L122-L326 HydrophobicContact CD2-CD1 4.32Å; L122-L326 HydrophobicContact CG-CD1 3.91Å; L122-L326 HydrophobicContact CG-CD2 4.25Å; L122-L326 HydrophobicContact CG-CG 4.2Å |
| 123 | L | 90.5 | Very high | 76.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.2 | 173.1 | -56 | 92 | 0 | 0 | 0 | 108 | L291 V295 I303 G304 D306 Y314 I321 D322 V323 | L123-L291 HydrophobicContact CD1-CD2 4.31Å; L123-L291 HydrophobicContact CD2-CD2 4.03Å; L123-V295 HydrophobicContact CB-CG1 4.32Å; L123-I303 CarbonylContact O-C 3.56Å; L123-I303 WeakPolarHBondContact O-CA 3.42Å; L123-G304 VanDerWaalsContact CD1-C 3.48Å; L123-G304 PolarHBondContact N-O 3.12Å; L123-G304 PolarHBondContact O-N 3.31Å; L123-D306 HydrophobicContact CD1-CB 3.73Å; L123-Y314 HydrophobicContact CD2-CD1 3.48Å; L123-Y314 VanDerWaalsContact CD2-CD1 3.48Å; L123-Y314 HydrophobicContact CD2-CD2 3.3Å; L123-Y314 HydrophobicContact CD2-CE1 3.66Å; L123-Y314 HydrophobicContact CD2-CE2 3.49Å; L123-Y314 VanDerWaalsContact CD2-CE2 3.49Å; L123-Y314 HydrophobicContact CD2-CG 3.29Å; L123-I321 HydrophobicContact CB-CG2 4.01Å; L123-I321 HydrophobicContact CD2-CG2 4.19Å; L123-D322 WeakPolarHBondContact CA-O 3.24Å; L123-V323 HydrophobicContact CD2-CG2 4.1Å; L123-V323 HydrophobicContact CG-CG2 4.13Å |
| 124 | F | 87.9 | Confident | 75.1 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 156.8 | 175.1 | 51.7 | -96.4 | 0 | 0 | 0 | 110.1 | R126 T223 F225 I303 I321 D322 V324 | F124-R126 PolarHBondContact O-N 3.27Å; F124-T223 HydrophobicContact CD1-CG2 4.29Å; F124-T223 HydrophobicContact CD2-CG2 3.65Å; F124-T223 HydrophobicContact CE1-CG2 3.82Å; F124-T223 HydrophobicContact CE2-CG2 3.14Å; F124-T223 HydrophobicContact CG-CG2 4.2Å; F124-T223 HydrophobicContact CZ-CG2 3.22Å; F124-F225 HydrophobicContact CD1-CZ 4.11Å; F124-F225 HydrophobicContact CE1-CZ 4.43Å; F124-I303 HydrophobicContact CB-CD1 3.72Å; F124-I321 WeakPolarHBondContact O-CA 3.35Å; F124-D322 HydrophobicContact CD2-CB 4.29Å; F124-D322 HydrophobicContact CE2-CB 3.61Å; F124-D322 HydrophobicContact CZ-CB 3.92Å; F124-D322 PolarHBondContact N-O 3.48Å; F124-D322 VanDerWaalsContact N-O 3.13Å; F124-D322 PolarHBondContact O-N 2.92Å; F124-V324 HydrophobicContact CE1-CB 3.8Å; F124-V324 HydrophobicContact CE1-CG2 3.29Å; F124-V324 HydrophobicContact CZ-CB 4.33Å; F124-V324 HydrophobicContact CZ-CG2 3.32Å |
| 125 | R | 83.6 | Confident | 73.4 | Confident | 83 Ų | 83 | 39.8 Ų | 39.8 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 126.4 | 173.7 | -163.6 | 174.7 | 174.6 | -114.4 | -11.6 | 110.8 | E127 V295 E296 P298 A320 | R125-E127 PolarHBondContact O-N 2.86Å; R125-V295 WeakPolarHBondContact CB-O 3.48Å; R125-E296 WeakPolarHBondContact CD-O 3.3Å; R125-E296 PolarHBondContact NE-O 2.91Å; R125-P298 VanDerWaalsContact CZ-CB 3.42Å; R125-P298 VanDerWaalsContact NH1-CA 3.3Å; R125-A320 CarbonylContact C-O 3.59Å; R125-A320 VanDerWaalsContact CA-O 3.27Å; R125-A320 WeakPolarHBondContact CA-O 3.44Å |
| 126 | R | 73.8 | Confident | 72 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | trans | -66.8 | 113.2 | 163.9 | 178.5 | 169.9 | 74.3 | -165 | 13 | 109.6 | F124 L128 F221 C319 A320 D322 E379 | F124-R126 PolarHBondContact O-N 3.27Å; R126-L128 HydrophobicContact CG-CD2 4.04Å; R126-L128 HydrophobicContact CG-CG 4.13Å; R126-F221 HydrophobicContact CG-CD1 3.66Å; R126-F221 HydrophobicContact CG-CE1 4.06Å; R126-C319 VanDerWaalsContact CZ-O 3.26Å; R126-C319 PolarHBondContact NH2-O 2.88Å; R126-A320 WeakPolarHBondContact CB-O 3.44Å; R126-A320 PolarHBondContact N-O 2.97Å; R126-D322 IonicContact NH1-OD1 3.99Å; R126-E379 IonicContact CZ-OE2 3.81Å; R126-E379 IonicContact NH2-OE2 2.73Å; R126-E379 PolarHBondContact NH2-OE2 3.49Å | ||
| 127 | E | 66.8 | Low | 70.7 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | trans | -89.2 | 108.9 | 163.4 | -76 | -171.8 | -168.1 | 0 | 0 | 109.8 | R125 M129 N224 | R125-E127 PolarHBondContact O-N 2.86Å; E127-M129 VanDerWaalsContact C-N 3.34Å; E127-M129 PolarHBondContact O-N 3.12Å; E127-M129 VanDerWaalsContact O-N 3.08Å; E127-N224 PolarHBondContact OE1-ND2 3.46Å | ||
| 128 | L | 58.5 | Low | 69.7 | Low | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 88.4 | 169.2 | -63 | 166.2 | 0 | 0 | 0 | 108.2 | R126 D130 T219 E379 | R126-L128 HydrophobicContact CG-CD2 4.04Å; R126-L128 HydrophobicContact CG-CG 4.13Å; L128-D130 PolarHBondContact O-N 3.21Å; L128-T219 HydrophobicContact CB-CG2 4.17Å; L128-T219 VanDerWaalsContact CD2-CB 3.45Å; L128-T219 HydrophobicContact CD2-CG2 3.6Å; L128-T219 HydrophobicContact CG-CG2 4.43Å; L128-E379 VanDerWaalsContact CD1-OE1 3.26Å; L128-E379 WeakPolarHBondContact CD1-OE1 3.39Å; L128-E379 VanDerWaalsContact CD1-OE2 3.22Å; L128-E379 WeakPolarHBondContact CD1-OE2 3.28Å |
| 129 | M | 55.4 | Low | 68.7 | Low | 87 Ų | 87 | 48 Ų | 48 | 43% | 0.429 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.1 | 166 | -72 | -158.2 | 176.7 | 0 | 0 | 109 | E127 L131 | E127-M129 VanDerWaalsContact C-N 3.34Å; E127-M129 PolarHBondContact O-N 3.12Å; E127-M129 VanDerWaalsContact O-N 3.08Å; M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 3.11Å |
| 130 | D | 55.6 | Low | 68 | Low | 85 Ų | 85 | 49.5 Ų | 49.5 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 94.5 | 167 | -171.5 | 16.8 | 0 | 0 | 0 | 108.7 | L128 S132 N389 | L128-D130 PolarHBondContact O-N 3.21Å; D130-S132 PolarHBondContact O-N 3.39Å; D130-S132 VanDerWaalsContact O-N 3.1Å; D130-S132 WeakPolarHBondContact OD1-CB 3.48Å; D130-S132 PolarHBondContact OD1-N 3.31Å; D130-S132 PolarHBondContact OD1-OG 3.5Å; D130-S132 WeakPolarHBondContact OD2-CB 3.28Å; D130-S132 PolarHBondContact OD2-OG 3Å; D130-N389 PolarHBondContact OD1-ND2 3.03Å; D130-N389 PolarHBondContact OD2-ND2 2.82Å; D130-N389 VanDerWaalsContact OD2-ND2 3.09Å |
| 131 | L | 55.2 | Low | 67.4 | Low | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -71.3 | 6.9 | 175.9 | -74.6 | 165.3 | 0 | 0 | 0 | 112.6 | M129 S133 Q134 F135 Q218 K220 | M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 3.11Å; L131-S133 PolarHBondContact O-N 2.96Å; L131-S133 VanDerWaalsContact O-N 3.13Å; L131-Q134 HydrophobicContact CD2-CB 4.19Å; L131-Q134 HydrophobicContact CD2-CG 4.17Å; L131-Q134 PolarHBondContact O-N 3.38Å; L131-F135 PolarHBondContact O-N 2.88Å; L131-F135 VanDerWaalsContact O-N 3.15Å; L131-Q218 HydrophobicContact CD1-CB 4.38Å; L131-Q218 WeakPolarHBondContact CD1-O 3.37Å; L131-K220 HydrophobicContact CD1-CB 3.48Å; L131-K220 VanDerWaalsContact CD1-CB 3.48Å; L131-K220 HydrophobicContact CD1-CD 4.42Å |
| 132 | S | 55.1 | Low | 66.8 | Low | 14 Ų | 14 | 53.9 Ų | 53.9 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -53.5 | -32.3 | 177.1 | 64 | 0 | 0 | 0 | 0 | 113.9 | D130 N389 | D130-S132 PolarHBondContact O-N 3.39Å; D130-S132 VanDerWaalsContact O-N 3.1Å; D130-S132 WeakPolarHBondContact OD1-CB 3.48Å; D130-S132 PolarHBondContact OD1-N 3.31Å; D130-S132 PolarHBondContact OD1-OG 3.5Å; D130-S132 WeakPolarHBondContact OD2-CB 3.28Å; D130-S132 PolarHBondContact OD2-OG 3Å; S132-N389 WeakPolarHBondContact CB-ND2 3.42Å; S132-N389 PolarHBondContact OG-ND2 3.45Å |
| 133 | S | 53 | Low | 66.4 | Low | 96 Ų | 96 | 60 Ų | 60 | 67% | 0.671 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -76.2 | -20.5 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | L131 | L131-S133 PolarHBondContact O-N 2.96Å; L131-S133 VanDerWaalsContact O-N 3.13Å |
| 134 | Q | 55.1 | Low | 66.1 | Low | 123 Ų | 123 | 62.3 Ų | 62.3 | 58% | 0.575 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -6.2 | 177 | -64.3 | -173.8 | 10.5 | 0 | 0 | 112.6 | L131 H136 L139 | L131-Q134 HydrophobicContact CD2-CB 4.19Å; L131-Q134 HydrophobicContact CD2-CG 4.17Å; L131-Q134 PolarHBondContact O-N 3.38Å; Q134-H136 VanDerWaalsContact C-N 3.35Å; Q134-H136 PolarHBondContact O-N 2.74Å; Q134-L139 WeakPolarHBondContact O-CD1 3.37Å |
| 135 | F | 54.6 | Low | 65.9 | Low | 14 Ų | 14 | 65.3 Ų | 65.3 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -79.6 | 81.9 | -174.5 | -157.7 | -88 | 0 | 0 | 0 | 110.9 | L131 A137 L140 G213 K392 | L131-F135 PolarHBondContact O-N 2.88Å; L131-F135 VanDerWaalsContact O-N 3.15Å; F135-A137 PolarHBondContact O-N 3Å; F135-L140 HydrophobicContact CE1-CD1 3.56Å; F135-L140 HydrophobicContact CE1-CD2 4.48Å; F135-L140 HydrophobicContact CE1-CG 3.95Å; F135-L140 HydrophobicContact CE2-CD2 4.03Å; F135-L140 HydrophobicContact CE2-CG 4.22Å; F135-L140 HydrophobicContact CZ-CD1 3.46Å; F135-L140 VanDerWaalsContact CZ-CD1 3.46Å; F135-L140 HydrophobicContact CZ-CD2 3.57Å; F135-L140 HydrophobicContact CZ-CG 3.51Å; F135-G213 WeakPolarHBondContact CZ-O 3.37Å; F135-K392 HydrophobicContact CB-CD 4.43Å; F135-K392 HydrophobicContact CB-CG 3.93Å; F135-K392 HydrophobicContact CD1-CB 4.05Å; F135-K392 HydrophobicContact CD1-CD 3.9Å; F135-K392 HydrophobicContact CD1-CG 3.93Å; F135-K392 HydrophobicContact CD2-CD 4.37Å; F135-K392 HydrophobicContact CE1-CD 4.14Å; F135-K392 HydrophobicContact CG-CD 3.99Å; F135-K392 HydrophobicContact CG-CG 3.98Å; F135-K392 HydrophobicContact CZ-CD 4.44Å | ||
| 136 | H | 61.3 | Low | 65.9 | Low | 91 Ų | 91 | 64.6 Ų | 64.6 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | trans | -70.4 | 123.4 | 163 | -61.5 | -43.9 | 0 | 0 | 0 | 108 | Q134 T138 L139 D395 | Q134-H136 VanDerWaalsContact C-N 3.35Å; Q134-H136 PolarHBondContact O-N 2.74Å; H136-T138 PolarHBondContact O-N 3.34Å; H136-L139 HydrophobicContact CB-CB 4.47Å; H136-L139 HydrophobicContact CB-CD1 3.85Å; H136-L139 HydrophobicContact CB-CG 4.17Å; H136-L139 WeakPolarHBondContact O-CB 3.46Å; H136-L139 PolarHBondContact O-N 3.02Å; H136-D395 WeakPolarHBondContact CA-OD2 3.34Å; H136-D395 IonicContact CE1-OD2 3.61Å; H136-D395 IonicContact CG-OD2 3.67Å; H136-D395 IonicContact ND1-OD1 3.98Å; H136-D395 IonicContact ND1-OD2 2.69Å; H136-D395 PolarHBondContact ND1-OD2 2.98Å | ||
| 137 | A | 60.5 | Low | 66.5 | Low | 23 Ų | 23 | 67.1 Ų | 67.1 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -50.3 | -26.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F135 Y206 L210 | F135-A137 PolarHBondContact O-N 3Å; A137-Y206 WeakPolarHBondContact O-CE2 3.29Å; A137-Y206 PolarHBondContact O-OH 2.94Å; A137-L210 HydrophobicContact CB-CD1 4.42Å |
| 138 | T | 63.8 | Low | 67.4 | Low | 78 Ų | 78 | 69 Ų | 69 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -73.6 | -25.6 | 174.9 | 51.4 | 0 | 0 | 0 | 0 | 114.8 | H136 L140 L141 W146 | H136-T138 PolarHBondContact O-N 3.34Å; T138-L140 PolarHBondContact O-N 3.29Å; T138-L141 PolarHBondContact O-N 2.88Å; T138-L141 VanDerWaalsContact O-O 3.12Å; T138-W146 HydrophobicContact CG2-CZ2 4.19Å; T138-W146 PolarHBondContact O-NE1 2.98Å |
| 139 | L | 64.5 | Low | 68.7 | Low | 118 Ų | 118 | 66.5 Ų | 66.5 | 62% | 0.618 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -69.2 | -18.7 | -179.1 | -87.4 | 161.7 | 0 | 0 | 0 | 114 | Q134 H136 L141 | Q134-L139 WeakPolarHBondContact O-CD1 3.37Å; H136-L139 HydrophobicContact CB-CB 4.47Å; H136-L139 HydrophobicContact CB-CD1 3.85Å; H136-L139 HydrophobicContact CB-CG 4.17Å; H136-L139 WeakPolarHBondContact O-CB 3.46Å; H136-L139 PolarHBondContact O-N 3.02Å; L139-L141 PolarHBondContact O-N 2.83Å |
| 140 | L | 68.2 | Low | 70.2 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -63.4 | -28.2 | 177.2 | -82.3 | 164.5 | 0 | 0 | 0 | 113.4 | F135 T138 Y206 I209 L210 | F135-L140 HydrophobicContact CE1-CD1 3.56Å; F135-L140 HydrophobicContact CE1-CD2 4.48Å; F135-L140 HydrophobicContact CE1-CG 3.95Å; F135-L140 HydrophobicContact CE2-CD2 4.03Å; F135-L140 HydrophobicContact CE2-CG 4.22Å; F135-L140 HydrophobicContact CZ-CD1 3.46Å; F135-L140 VanDerWaalsContact CZ-CD1 3.46Å; F135-L140 HydrophobicContact CZ-CD2 3.57Å; F135-L140 HydrophobicContact CZ-CG 3.51Å; T138-L140 PolarHBondContact O-N 3.29Å; L140-Y206 HydrophobicContact CB-CE2 4.43Å; L140-I209 HydrophobicContact CB-CG2 3.98Å; L140-I209 HydrophobicContact CD2-CG2 4.06Å; L140-L210 HydrophobicContact CD1-CB 4.33Å; L140-L210 HydrophobicContact CD1-CD1 3.85Å; L140-L210 HydrophobicContact CD1-CG 4.29Å |
| 141 | L | 73.7 | Confident | 71.7 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -102.6 | 135.1 | 171.6 | -125.8 | 88.7 | 0 | 0 | 0 | 108.6 | T138 L139 L143 L145 W146 F202 Y206 I209 | T138-L141 PolarHBondContact O-N 2.88Å; T138-L141 VanDerWaalsContact O-O 3.12Å; L139-L141 PolarHBondContact O-N 2.83Å; L141-L143 PolarHBondContact O-N 2.94Å; L141-L145 HydrophobicContact CD2-CB 3.46Å; L141-L145 VanDerWaalsContact CD2-CB 3.46Å; L141-L145 HydrophobicContact CD2-CD1 3.94Å; L141-L145 HydrophobicContact CD2-CG 4.34Å; L141-L145 HydrophobicContact CG-CB 4.24Å; L141-L145 HydrophobicContact CG-CD1 4.09Å; L141-W146 VanDerWaalsContact CB-NE1 3.31Å; L141-F202 HydrophobicContact CD2-CE2 3.51Å; L141-F202 HydrophobicContact CD2-CZ 3.56Å; L141-Y206 HydrophobicContact CD1-CD2 3.8Å; L141-I209 HydrophobicContact CD1-CD1 3.55Å |
| 142 | P | 77.6 | Confident | 73.1 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | trans | -47.5 | 134.5 | 168.6 | -26.1 | 29.1 | 0 | 0 | 0 | 111.3 | G144 L145 W146 | P142-G144 PolarHBondContact O-N 2.94Å; P142-L145 HydrophobicContact CG-CD1 4.22Å; P142-L145 PolarHBondContact O-N 2.79Å; P142-W146 PolarHBondContact O-N 3Å | ||
| 143 | L | 80.8 | Confident | 74.4 | Confident | 132 Ų | 132 | 75 Ų | 75 | 69% | 0.691 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -50.7 | -36.2 | -179.5 | -169 | 81.1 | 0 | 0 | 0 | 112.4 | L141 L145 W146 I147 | L141-L143 PolarHBondContact O-N 2.94Å; L143-L145 VanDerWaalsContact C-N 3.29Å; L143-L145 PolarHBondContact O-N 3.25Å; L143-W146 WeakPolarHBondContact O-CB 3.49Å; L143-W146 PolarHBondContact O-N 3.17Å; L143-I147 HydrophobicContact CD2-CD1 4.09Å; L143-I147 HydrophobicContact CG-CD1 4.04Å; L143-I147 HydrophobicContact CG-CG1 4.49Å; L143-I147 WeakPolarHBondContact O-CG1 3.4Å; L143-I147 PolarHBondContact O-N 3.14Å |
| 144 | G | 82.7 | Confident | 76 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.5 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P142 L148 | P142-G144 PolarHBondContact O-N 2.94Å; G144-L148 WeakPolarHBondContact O-CB 3.28Å; G144-L148 PolarHBondContact O-N 2.93Å |
| 145 | L | 84.1 | Confident | 77.4 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.9 | -34.5 | 177.5 | -74.2 | 171.7 | 0 | 0 | 0 | 111.9 | L141 P142 L143 L148 A149 | L141-L145 HydrophobicContact CD2-CB 3.46Å; L141-L145 VanDerWaalsContact CD2-CB 3.46Å; L141-L145 HydrophobicContact CD2-CD1 3.94Å; L141-L145 HydrophobicContact CD2-CG 4.34Å; L141-L145 HydrophobicContact CG-CB 4.24Å; L141-L145 HydrophobicContact CG-CD1 4.09Å; P142-L145 HydrophobicContact CG-CD1 4.22Å; P142-L145 PolarHBondContact O-N 2.79Å; L143-L145 VanDerWaalsContact C-N 3.29Å; L143-L145 PolarHBondContact O-N 3.25Å; L145-L148 PolarHBondContact O-N 3.36Å; L145-A149 PolarHBondContact O-N 3.08Å |
| 146 | W | 84.5 | Confident | 78.6 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 26% | 0.258 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 171.5 | -78.5 | 111.5 | 0 | 0 | 0 | 112.3 | T138 L141 P142 L143 L148 A149 F150 F202 Y206 | T138-W146 HydrophobicContact CG2-CZ2 4.19Å; T138-W146 PolarHBondContact O-NE1 2.98Å; L141-W146 VanDerWaalsContact CB-NE1 3.31Å; P142-W146 PolarHBondContact O-N 3Å; L143-W146 WeakPolarHBondContact O-CB 3.49Å; L143-W146 PolarHBondContact O-N 3.17Å; W146-L148 VanDerWaalsContact C-N 3.29Å; W146-L148 PolarHBondContact O-N 2.8Å; W146-A149 PolarHBondContact O-N 3.08Å; W146-F150 PolarHBondContact O-N 3Å; W146-F202 HydrophobicContact CD2-CZ 4.48Å; W146-F202 HydrophobicContact CE3-CE1 4.34Å; W146-F202 HydrophobicContact CE3-CZ 4.14Å; W146-F202 HydrophobicContact CH2-CE1 4.31Å; W146-F202 AromaticContact CZ3-CE1 3.97Å; W146-F202 HydrophobicContact CZ3-CE1 3.97Å; W146-F202 HydrophobicContact CZ3-CZ 4.2Å; W146-Y206 HydrophobicContact CH2-CE1 4.35Å; W146-Y206 HydrophobicContact CH2-CE2 4.41Å; W146-Y206 HydrophobicContact CZ2-CD2 4.2Å; W146-Y206 HydrophobicContact CZ2-CE1 4.43Å; W146-Y206 AromaticContact CZ2-CE2 3.74Å; W146-Y206 HydrophobicContact CZ2-CE2 3.74Å; W146-Y206 AromaticContact CZ2-CZ 3.86Å |
| 147 | I | 86.5 | Confident | 79.6 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.3 | -67 | 166.6 | 0 | 0 | 0 | 110.1 | L143 F150 L151 | L143-I147 HydrophobicContact CD2-CD1 4.09Å; L143-I147 HydrophobicContact CG-CD1 4.04Å; L143-I147 HydrophobicContact CG-CG1 4.49Å; L143-I147 WeakPolarHBondContact O-CG1 3.4Å; L143-I147 PolarHBondContact O-N 3.14Å; I147-F150 PolarHBondContact O-N 2.86Å; I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.31Å; I147-L151 WeakPolarHBondContact O-CB 3.47Å; I147-L151 WeakPolarHBondContact O-CG 3.39Å; I147-L151 PolarHBondContact O-N 2.68Å |
| 148 | L | 85.3 | Confident | 80.6 | Confident | 93 Ų | 93 | 79.2 Ų | 79.2 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 177.3 | -170.1 | 73.4 | 0 | 0 | 0 | 111.8 | G144 L145 W146 F150 L151 C152 | G144-L148 WeakPolarHBondContact O-CB 3.28Å; G144-L148 PolarHBondContact O-N 2.93Å; L145-L148 PolarHBondContact O-N 3.36Å; W146-L148 VanDerWaalsContact C-N 3.29Å; W146-L148 PolarHBondContact O-N 2.8Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.12Å; L148-L151 PolarHBondContact O-N 3.3Å; L148-C152 WeakPolarHBondContact O-CB 3.34Å; L148-C152 PolarHBondContact O-N 3.12Å |
| 149 | A | 85.6 | Confident | 81.3 | Confident | 13 Ų | 13 | 77.6 Ų | 77.6 | 11% | 0.107 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L145 W146 C152 F153 F198 F202 | L145-A149 PolarHBondContact O-N 3.08Å; W146-A149 PolarHBondContact O-N 3.08Å; A149-C152 PolarHBondContact O-N 2.99Å; A149-F153 PolarHBondContact O-N 3.1Å; A149-F198 HydrophobicContact CB-CE1 4.34Å; A149-F198 HydrophobicContact CB-CZ 4.33Å; A149-F202 HydrophobicContact CB-CD2 4.3Å; A149-F202 HydrophobicContact CB-CE1 4.19Å; A149-F202 HydrophobicContact CB-CE2 3.85Å; A149-F202 HydrophobicContact CB-CZ 3.79Å |
| 150 | F | 87 | Confident | 81.9 | Confident | 131 Ų | 131 | 72.7 Ų | 72.7 | 58% | 0.575 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 175.4 | 179.6 | -98.2 | 0 | 0 | 0 | 112.4 | W146 I147 L148 C152 F153 F154 | W146-F150 PolarHBondContact O-N 3Å; I147-F150 PolarHBondContact O-N 2.86Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.12Å; F150-C152 PolarHBondContact O-N 3.08Å; F150-F153 PolarHBondContact O-N 3.12Å; F150-F154 WeakPolarHBondContact O-CB 3.37Å; F150-F154 PolarHBondContact O-N 3.29Å |
| 151 | L | 86.9 | Confident | 82.3 | Confident | 99 Ų | 99 | 75.3 Ų | 75.3 | 52% | 0.518 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 177.1 | -72.7 | 173.2 | 0 | 0 | 0 | 111.9 | I147 L148 F154 A155 | I147-L151 HydrophobicContact CG2-CD1 3.95Å; I147-L151 HydrophobicContact CG2-CG 4.31Å; I147-L151 WeakPolarHBondContact O-CB 3.47Å; I147-L151 WeakPolarHBondContact O-CG 3.39Å; I147-L151 PolarHBondContact O-N 2.68Å; L148-L151 PolarHBondContact O-N 3.3Å; L151-F154 PolarHBondContact O-N 3.05Å; L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.46Å; L151-A155 PolarHBondContact O-N 3.11Å |
| 152 | C | 84.5 | Confident | 82.4 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.7 | -81.8 | 0 | 0 | 0 | 0 | 111.6 | L148 A149 F150 A155 V156 F198 | L148-C152 WeakPolarHBondContact O-CB 3.34Å; L148-C152 PolarHBondContact O-N 3.12Å; A149-C152 PolarHBondContact O-N 2.99Å; F150-C152 PolarHBondContact O-N 3.08Å; C152-A155 PolarHBondContact O-N 3.45Å; C152-V156 WeakPolarHBondContact O-CG2 3.36Å; C152-V156 PolarHBondContact O-N 3.34Å; C152-F198 HydrophobicContact CB-CD1 4.41Å; C152-F198 HydrophobicContact CB-CE1 3.94Å; C152-F198 HydrophobicContact CB-CZ 4.24Å |
| 153 | F | 83.2 | Confident | 82.2 | Confident | 114 Ų | 114 | 76 Ų | 76 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 175.7 | 177.4 | -96.5 | 0 | 0 | 0 | 111.6 | A149 F150 A155 V156 Y157 | A149-F153 PolarHBondContact O-N 3.1Å; F150-F153 PolarHBondContact O-N 3.12Å; F153-A155 VanDerWaalsContact C-N 3.34Å; F153-A155 PolarHBondContact O-N 3.23Å; F153-V156 PolarHBondContact O-N 2.97Å; F153-Y157 WeakPolarHBondContact O-CB 3.47Å; F153-Y157 PolarHBondContact O-N 3.31Å |
| 154 | F | 85.4 | Confident | 81.8 | Confident | 112 Ų | 112 | 73.6 Ų | 73.6 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 179.1 | -168.4 | -94.3 | 0 | 0 | 0 | 112.1 | F150 L151 Y157 F158 | F150-F154 WeakPolarHBondContact O-CB 3.37Å; F150-F154 PolarHBondContact O-N 3.29Å; L151-F154 PolarHBondContact O-N 3.05Å; F154-Y157 PolarHBondContact O-N 2.89Å; F154-F158 WeakPolarHBondContact O-CB 3.47Å; F154-F158 PolarHBondContact O-N 3.24Å |
| 155 | A | 84 | Confident | 81.4 | Confident | 51 Ų | 51 | 79.4 Ų | 79.4 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L151 C152 F153 Y157 F158 S159 | L151-A155 VanDerWaalsContact O-CB 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.46Å; L151-A155 PolarHBondContact O-N 3.11Å; C152-A155 PolarHBondContact O-N 3.45Å; F153-A155 VanDerWaalsContact C-N 3.34Å; F153-A155 PolarHBondContact O-N 3.23Å; A155-Y157 PolarHBondContact O-N 3.47Å; A155-F158 PolarHBondContact O-N 3.22Å; A155-S159 WeakPolarHBondContact O-CB 3.18Å; A155-S159 PolarHBondContact O-N 2.96Å; A155-S159 PolarHBondContact O-OG 3.35Å |
| 156 | V | 80.4 | Confident | 80.8 | Confident | 32 Ų | 32 | 78 Ų | 78 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | C152 F153 S159 S160 C195 | C152-V156 WeakPolarHBondContact O-CG2 3.36Å; C152-V156 PolarHBondContact O-N 3.34Å; F153-V156 PolarHBondContact O-N 2.97Å; V156-S159 PolarHBondContact O-N 3.46Å; V156-S160 VanDerWaalsContact O-CB 3.23Å; V156-S160 WeakPolarHBondContact O-CB 3.3Å; V156-S160 PolarHBondContact O-N 2.99Å; V156-C195 HydrophobicContact CB-CB 4.38Å; V156-C195 HydrophobicContact CG1-CB 3.85Å; V156-C195 HydrophobicContact CG2-CB 3.85Å |
| 157 | Y | 81.6 | Confident | 80 | Confident | 126 Ų | 126 | 78.9 Ų | 78.9 | 49% | 0.494 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 175.5 | 179.5 | -97 | 0 | 0 | 0 | 111.5 | F153 F154 A155 S160 H161 | F153-Y157 WeakPolarHBondContact O-CB 3.47Å; F153-Y157 PolarHBondContact O-N 3.31Å; F154-Y157 PolarHBondContact O-N 2.89Å; A155-Y157 PolarHBondContact O-N 3.47Å; Y157-S160 WeakPolarHBondContact O-CB 3.33Å; Y157-S160 PolarHBondContact O-N 2.8Å; Y157-H161 AromaticContact CE1-CD2 3.69Å; Y157-H161 AromaticContact CE2-CD2 3.83Å; Y157-H161 AromaticContact CZ-CD2 3.44Å; Y157-H161 VanDerWaalsContact CZ-CD2 3.44Å; Y157-H161 AromaticContact CZ-NE2 3.59Å; Y157-H161 PolarHBondContact O-N 3.35Å; Y157-H161 PolarHBondContact OH-NE2 3.27Å |
| 158 | F | 82.4 | Confident | 79.2 | Confident | 114 Ų | 114 | 83.3 Ų | 83.3 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 178.4 | -170.6 | -95 | 0 | 0 | 0 | 111.8 | F154 A155 S160 H161 L162 | F154-F158 WeakPolarHBondContact O-CB 3.47Å; F154-F158 PolarHBondContact O-N 3.24Å; A155-F158 PolarHBondContact O-N 3.22Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 3.39Å; F158-H161 PolarHBondContact O-N 2.7Å; F158-L162 HydrophobicContact CE1-CD2 4.41Å; F158-L162 VanDerWaalsContact O-CB 3.3Å; F158-L162 WeakPolarHBondContact O-CB 3.42Å; F158-L162 PolarHBondContact O-N 3.22Å |
| 159 | S | 78.5 | Confident | 78.6 | Confident | 43 Ų | 43 | 85 Ų | 85 | 30% | 0.301 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 175.5 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | A155 V156 S163 | A155-S159 WeakPolarHBondContact O-CB 3.18Å; A155-S159 PolarHBondContact O-N 2.96Å; A155-S159 PolarHBondContact O-OG 3.35Å; V156-S159 PolarHBondContact O-N 3.46Å; S159-S163 WeakPolarHBondContact O-CB 3.5Å; S159-S163 PolarHBondContact O-N 2.03Å |
| 160 | S | 76.2 | Confident | 77.7 | Confident | 16 Ų | 16 | 88.3 Ų | 88.3 | 11% | 0.112 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 174 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | V156 Y157 F158 S163 Q164 Y192 | V156-S160 VanDerWaalsContact O-CB 3.23Å; V156-S160 WeakPolarHBondContact O-CB 3.3Å; V156-S160 PolarHBondContact O-N 2.99Å; Y157-S160 WeakPolarHBondContact O-CB 3.33Å; Y157-S160 PolarHBondContact O-N 2.8Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 3.39Å; S160-S163 WeakPolarHBondContact O-CB 3.27Å; S160-S163 PolarHBondContact O-N 3.06Å; S160-Q164 PolarHBondContact O-N 3.06Å; S160-Y192 PolarHBondContact OG-OH 3.3Å |
| 161 | H | 76.3 | Confident | 76.5 | Confident | 88 Ų | 88 | 84.5 Ų | 84.5 | 41% | 0.407 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 176.8 | -103.2 | -74.8 | 0 | 0 | 0 | 112.7 | Y157 F158 S163 Q164 Y165 | Y157-H161 AromaticContact CE1-CD2 3.69Å; Y157-H161 AromaticContact CE2-CD2 3.83Å; Y157-H161 AromaticContact CZ-CD2 3.44Å; Y157-H161 VanDerWaalsContact CZ-CD2 3.44Å; Y157-H161 AromaticContact CZ-NE2 3.59Å; Y157-H161 PolarHBondContact O-N 3.35Å; Y157-H161 PolarHBondContact OH-NE2 3.27Å; F158-H161 PolarHBondContact O-N 2.7Å; H161-S163 VanDerWaalsContact C-N 3.29Å; H161-S163 PolarHBondContact O-N 2.92Å; H161-Q164 PolarHBondContact O-N 3.02Å; H161-Q164 VanDerWaalsContact O-N 3.17Å; H161-Y165 WeakPolarHBondContact O-CB 3.49Å; H161-Y165 PolarHBondContact O-N 3.33Å |
| 162 | L | 77.7 | Confident | 75.4 | Confident | 93 Ų | 93 | 88.2 Ų | 88.2 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.9 | -171.6 | 69.7 | 0 | 0 | 0 | 110.8 | F158 Y165 T166 | F158-L162 HydrophobicContact CE1-CD2 4.41Å; F158-L162 VanDerWaalsContact O-CB 3.3Å; F158-L162 WeakPolarHBondContact O-CB 3.42Å; F158-L162 PolarHBondContact O-N 3.22Å; L162-Y165 PolarHBondContact O-N 3.3Å; L162-T166 PolarHBondContact O-N 3.2Å; L162-T166 PolarHBondContact O-OG1 3.4Å |
| 163 | S | 72.6 | Confident | 74.4 | Confident | 13 Ų | 13 | 92.1 Ų | 92.1 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 172.6 | 162.1 | 0 | 0 | 0 | 0 | 112.3 | S159 S160 H161 Y165 T166 Y167 R187 | S159-S163 WeakPolarHBondContact O-CB 3.5Å; S159-S163 PolarHBondContact O-N 2.03Å; S160-S163 WeakPolarHBondContact O-CB 3.27Å; S160-S163 PolarHBondContact O-N 3.06Å; H161-S163 VanDerWaalsContact C-N 3.29Å; H161-S163 PolarHBondContact O-N 2.92Å; S163-Y165 VanDerWaalsContact C-N 3.3Å; S163-Y165 PolarHBondContact O-N 3.33Å; S163-T166 VanDerWaalsContact CA-OG1 3.31Å; S163-T166 WeakPolarHBondContact CA-OG1 3.37Å; S163-T166 PolarHBondContact O-OG1 2.75Å; S163-Y167 VanDerWaalsContact O-CB 3.25Å; S163-Y167 WeakPolarHBondContact O-CB 3.26Å; S163-Y167 PolarHBondContact O-N 2.88Å; S163-R187 WeakPolarHBondContact OG-CB 3.21Å; S163-R187 VanDerWaalsContact OG-CD 3.26Å; S163-R187 WeakPolarHBondContact OG-CD 3.3Å; S163-R187 PolarHBondContact OG-NH1 3.22Å |
| 164 | Q | 73.1 | Confident | 73.2 | Confident | 80 Ų | 80 | 94.1 Ų | 94.1 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.2 | -77.1 | -178.1 | -3.8 | 0 | 0 | 111.7 | S160 H161 Y167 R168 | S160-Q164 PolarHBondContact O-N 3.06Å; H161-Q164 PolarHBondContact O-N 3.02Å; H161-Q164 VanDerWaalsContact O-N 3.17Å; Q164-Y167 PolarHBondContact O-N 2.92Å; Q164-R168 WeakPolarHBondContact O-CG 3.33Å; Q164-R168 PolarHBondContact O-N 3.05Å |
| 165 | Y | 74.1 | Confident | 71.9 | Confident | 173 Ų | 173 | 90.9 Ų | 90.9 | 68% | 0.678 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.9 | -47.1 | 178.8 | -156.9 | -86.6 | 0 | 0 | 0 | 111.7 | H161 L162 S163 R168 Y169 | H161-Y165 WeakPolarHBondContact O-CB 3.49Å; H161-Y165 PolarHBondContact O-N 3.33Å; L162-Y165 PolarHBondContact O-N 3.3Å; S163-Y165 VanDerWaalsContact C-N 3.3Å; S163-Y165 PolarHBondContact O-N 3.33Å; Y165-R168 PolarHBondContact O-N 3.23Å; Y165-Y169 WeakPolarHBondContact O-CB 3.28Å; Y165-Y169 PolarHBondContact O-N 3.01Å |
| 166 | T | 70.3 | Confident | 70.8 | Confident | 44 Ų | 44 | 91.7 Ų | 91.7 | 27% | 0.27 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.5 | 34 | 0 | 0 | 0 | 0 | 112 | L162 S163 R168 Y169 F170 | L162-T166 PolarHBondContact O-N 3.2Å; L162-T166 PolarHBondContact O-OG1 3.4Å; S163-T166 VanDerWaalsContact CA-OG1 3.31Å; S163-T166 WeakPolarHBondContact CA-OG1 3.37Å; S163-T166 PolarHBondContact O-OG1 2.75Å; T166-R168 PolarHBondContact O-N 3.26Å; T166-Y169 PolarHBondContact O-N 3.12Å; T166-F170 HydrophobicContact CG2-CE2 4.37Å; T166-F170 WeakPolarHBondContact O-CD2 3.42Å; T166-F170 PolarHBondContact O-N 3.39Å |
| 167 | Y | 68.5 | Low | 70 | Confident | 87 Ų | 87 | 93.1 Ų | 93.1 | 34% | 0.341 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 172.5 | 176 | -85.9 | 0 | 0 | 0 | 111.5 | S163 Q164 Y169 F170 S171 I180 | S163-Y167 VanDerWaalsContact O-CB 3.25Å; S163-Y167 WeakPolarHBondContact O-CB 3.26Å; S163-Y167 PolarHBondContact O-N 2.88Å; Q164-Y167 PolarHBondContact O-N 2.92Å; Y167-Y169 VanDerWaalsContact C-N 3.34Å; Y167-Y169 PolarHBondContact O-N 2.97Å; Y167-F170 PolarHBondContact O-N 3.27Å; Y167-S171 WeakPolarHBondContact O-CB 3.43Å; Y167-S171 PolarHBondContact O-N 3.48Å; Y167-S171 PolarHBondContact O-OG 2.57Å; Y167-I180 HydrophobicContact CD2-CG2 3.57Å; Y167-I180 HydrophobicContact CE2-CG2 3.22Å |
| 168 | R | 70.1 | Confident | 69.3 | Low | 181 Ų | 181 | 92.5 Ų | 92.5 | 68% | 0.683 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.8 | -40.1 | 177.5 | -74.9 | -177.2 | 178.6 | -175.5 | -0.4 | 112.2 | Q164 Y165 T166 S171 F172 | Q164-R168 WeakPolarHBondContact O-CG 3.33Å; Q164-R168 PolarHBondContact O-N 3.05Å; Y165-R168 PolarHBondContact O-N 3.23Å; T166-R168 PolarHBondContact O-N 3.26Å; R168-S171 PolarHBondContact O-OG 3Å; R168-S171 VanDerWaalsContact O-OG 3.06Å; R168-F172 WeakPolarHBondContact O-CB 2.97Å; R168-F172 PolarHBondContact O-N 2.9Å; R168-F172 VanDerWaalsContact O-N 3.08Å |
| 169 | Y | 73 | Confident | 68.6 | Low | 129 Ų | 129 | 90.1 Ų | 90.1 | 51% | 0.506 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 178.1 | -173.8 | -93.1 | 0 | 0 | 0 | 111.9 | Y165 T166 Y167 F172 F173 | Y165-Y169 WeakPolarHBondContact O-CB 3.28Å; Y165-Y169 PolarHBondContact O-N 3.01Å; T166-Y169 PolarHBondContact O-N 3.12Å; Y167-Y169 VanDerWaalsContact C-N 3.34Å; Y167-Y169 PolarHBondContact O-N 2.97Å; Y169-F172 WeakPolarHBondContact O-CB 2.99Å; Y169-F172 PolarHBondContact O-N 2.7Å; Y169-F173 HydrophobicContact CD1-CD2 4.35Å; Y169-F173 HydrophobicContact CD2-CE2 4.47Å; Y169-F173 AromaticContact CE1-CD2 3.95Å; Y169-F173 HydrophobicContact CE1-CD2 3.95Å; Y169-F173 HydrophobicContact CE1-CE2 4.07Å; Y169-F173 HydrophobicContact CE2-CD2 4.27Å; Y169-F173 AromaticContact CE2-CE2 3.78Å; Y169-F173 HydrophobicContact CE2-CE2 3.78Å; Y169-F173 AromaticContact CZ-CD2 3.9Å; Y169-F173 AromaticContact CZ-CE2 3.54Å; Y169-F173 PolarHBondContact O-N 3.36Å |
| 170 | F | 65.5 | Low | 68 | Low | 82 Ų | 82 | 89.6 Ų | 89.6 | 36% | 0.36 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.4 | -29.7 | 179.8 | -77.7 | -67.5 | 0 | 0 | 0 | 113.3 | T166 Y167 F172 F173 S175 I180 | T166-F170 HydrophobicContact CG2-CE2 4.37Å; T166-F170 WeakPolarHBondContact O-CD2 3.42Å; T166-F170 PolarHBondContact O-N 3.39Å; Y167-F170 PolarHBondContact O-N 3.27Å; F170-F172 VanDerWaalsContact C-N 3.34Å; F170-F173 PolarHBondContact O-N 2.91Å; F170-S175 PolarHBondContact O-N 3.16Å; F170-I180 HydrophobicContact CB-CG1 4.18Å |
| 171 | S | 62.3 | Low | 67.6 | Low | 51 Ų | 51 | 90.7 Ų | 90.7 | 36% | 0.357 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 171.9 | 77 | 0 | 0 | 0 | 0 | 112 | Y167 R168 F173 | Y167-S171 WeakPolarHBondContact O-CB 3.43Å; Y167-S171 PolarHBondContact O-N 3.48Å; Y167-S171 PolarHBondContact O-OG 2.57Å; R168-S171 PolarHBondContact O-OG 3Å; R168-S171 VanDerWaalsContact O-OG 3.06Å; S171-F173 VanDerWaalsContact C-N 3.34Å |
| 172 | F | 63 | Low | 67.6 | Low | 176 Ų | 176 | 92 Ų | 92 | 77% | 0.772 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67 | -33.8 | 176.9 | -168 | -94.4 | 0 | 0 | 0 | 112.6 | R168 Y169 F170 | R168-F172 WeakPolarHBondContact O-CB 2.97Å; R168-F172 PolarHBondContact O-N 2.9Å; R168-F172 VanDerWaalsContact O-N 3.08Å; Y169-F172 WeakPolarHBondContact O-CB 2.99Å; Y169-F172 PolarHBondContact O-N 2.7Å; F170-F172 VanDerWaalsContact C-N 3.34Å |
| 173 | F | 64.6 | Low | 67.2 | Low | 130 Ų | 130 | 91.2 Ų | 91.2 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 9.9 | -179.8 | -86 | -79.9 | 0 | 0 | 0 | 115.3 | Y169 F170 S171 S175 | Y169-F173 HydrophobicContact CD1-CD2 4.35Å; Y169-F173 HydrophobicContact CD2-CE2 4.47Å; Y169-F173 AromaticContact CE1-CD2 3.95Å; Y169-F173 HydrophobicContact CE1-CD2 3.95Å; Y169-F173 HydrophobicContact CE1-CE2 4.07Å; Y169-F173 HydrophobicContact CE2-CD2 4.27Å; Y169-F173 AromaticContact CE2-CE2 3.78Å; Y169-F173 HydrophobicContact CE2-CE2 3.78Å; Y169-F173 AromaticContact CZ-CD2 3.9Å; Y169-F173 AromaticContact CZ-CE2 3.54Å; Y169-F173 PolarHBondContact O-N 3.36Å; F170-F173 PolarHBondContact O-N 2.91Å; S171-F173 VanDerWaalsContact C-N 3.34Å; F173-S175 PolarHBondContact O-N 3.15Å |
| 174 | N | 58.6 | Low | 67 | Low | 156 Ų | 156 | 95 Ų | 95 | 83% | 0.834 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.7 | -176.5 | -93.9 | -11.9 | 0 | 0 | 0 | 113.2 | ||
| 175 | S | 57.1 | Low | 67.2 | Low | 43 Ų | 43 | 96 Ų | 96 | 30% | 0.301 | 49% | 0.488 | S | S | . | . | trans | -63.9 | 158.6 | 171.7 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | F170 F173 G177 T179 | F170-S175 PolarHBondContact O-N 3.16Å; F173-S175 PolarHBondContact O-N 3.15Å; S175-G177 PolarHBondContact O-N 2.92Å; S175-T179 PolarHBondContact OG-OG1 2.62Å; S175-T179 VanDerWaalsContact OG-OG1 3.09Å | ||
| 176 | S | 60.3 | Low | 67.2 | Low | 68 Ų | 68 | 89.8 Ų | 89.8 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | trans | -58.2 | 142.1 | -176.7 | 89.1 | 0 | 0 | 0 | 0 | 111.2 | V178 T179 | S176-V178 PolarHBondContact O-N 3.02Å; S176-T179 PolarHBondContact O-N 3.49Å; S176-T179 VanDerWaalsContact O-N 3.17Å; S176-T179 PolarHBondContact O-OG1 2.87Å | ||
| 177 | G | 63.5 | Low | 67.3 | Low | 62 Ų | 62 | 88.9 Ų | 88.9 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -56.9 | -18.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | S175 G181 | S175-G177 PolarHBondContact O-N 2.92Å; G177-G181 PolarHBondContact O-N 3.37Å |
| 178 | V | 67.9 | Low | 67.5 | Low | 114 Ų | 114 | 88.5 Ų | 88.5 | 69% | 0.691 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.5 | -45.5 | 179 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | S176 G181 F182 | S176-V178 PolarHBondContact O-N 3.02Å; V178-G181 PolarHBondContact O-N 3.45Å; V178-F182 VanDerWaalsContact O-CB 3.31Å; V178-F182 WeakPolarHBondContact O-CB 3.22Å; V178-F182 PolarHBondContact O-N 3.31Å |
| 179 | T | 68.2 | Low | 67.9 | Low | 64 Ų | 64 | 86.9 Ų | 86.9 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 179.8 | 41.5 | 0 | 0 | 0 | 0 | 111.5 | S175 S176 F182 M183 | S175-T179 PolarHBondContact OG-OG1 2.62Å; S175-T179 VanDerWaalsContact OG-OG1 3.09Å; S176-T179 PolarHBondContact O-N 3.49Å; S176-T179 VanDerWaalsContact O-N 3.17Å; S176-T179 PolarHBondContact O-OG1 2.87Å; T179-F182 PolarHBondContact O-N 3.15Å; T179-M183 PolarHBondContact O-N 2.85Å; T179-M183 VanDerWaalsContact O-N 3.13Å |
| 180 | I | 64.8 | Low | 68.2 | Low | 31 Ų | 31 | 83.6 Ų | 83.6 | 16% | 0.159 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.9 | -62.6 | 174.6 | 0 | 0 | 0 | 110.6 | Y167 F170 K184 | Y167-I180 HydrophobicContact CD2-CG2 3.57Å; Y167-I180 HydrophobicContact CE2-CG2 3.22Å; F170-I180 HydrophobicContact CB-CG1 4.18Å; I180-K184 PolarHBondContact O-N 2.84Å |
| 181 | G | 67.9 | Low | 68.8 | Low | 39 Ų | 39 | 83.9 Ų | 83.9 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G177 V178 K184 L185 | G177-G181 PolarHBondContact O-N 3.37Å; V178-G181 PolarHBondContact O-N 3.45Å; G181-K184 PolarHBondContact O-N 2.78Å; G181-L185 WeakPolarHBondContact O-CB 3.28Å; G181-L185 PolarHBondContact O-N 3.01Å |
| 182 | F | 75.8 | Confident | 69.6 | Low | 117 Ų | 117 | 85.8 Ų | 85.8 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 178.2 | -176.9 | -107 | 0 | 0 | 0 | 112.4 | V178 T179 K184 L185 L186 | V178-F182 VanDerWaalsContact O-CB 3.31Å; V178-F182 WeakPolarHBondContact O-CB 3.22Å; V178-F182 PolarHBondContact O-N 3.31Å; T179-F182 PolarHBondContact O-N 3.15Å; F182-K184 VanDerWaalsContact C-N 3.32Å; F182-K184 PolarHBondContact O-N 2.83Å; F182-L185 PolarHBondContact O-N 2.76Å; F182-L186 HydrophobicContact CD1-CD1 3.77Å; F182-L186 HydrophobicContact CE1-CD1 3.2Å; F182-L186 HydrophobicContact CE1-CG 4.34Å; F182-L186 HydrophobicContact CE2-CD1 4.31Å; F182-L186 HydrophobicContact CZ-CD1 3.51Å; F182-L186 HydrophobicContact CZ-CG 4.29Å; F182-L186 PolarHBondContact O-N 2.84Å |
| 183 | M | 69.7 | Low | 70.5 | Confident | 76 Ų | 76 | 80.8 Ų | 80.8 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.1 | -34.2 | 177.3 | -76.2 | -61.7 | 163.1 | 0 | 0 | 113 | T179 L186 R187 | T179-M183 PolarHBondContact O-N 2.85Å; T179-M183 VanDerWaalsContact O-N 3.13Å; M183-L186 HydrophobicContact SD-CD1 4.48Å; M183-R187 PolarHBondContact O-N 2.87Å |
| 184 | K | 69.7 | Low | 71.3 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 172.6 | -170.8 | 176.9 | 178.6 | -179.2 | 0 | 111.4 | I180 G181 F182 R187 E188 | I180-K184 PolarHBondContact O-N 2.84Å; G181-K184 PolarHBondContact O-N 2.78Å; F182-K184 VanDerWaalsContact C-N 3.32Å; F182-K184 PolarHBondContact O-N 2.83Å; K184-R187 PolarHBondContact O-N 3.22Å; K184-E188 VanDerWaalsContact CE-CD 3.49Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 WeakPolarHBondContact CE-OE2 3.22Å; K184-E188 HydrophobicContact CG-CG 4.46Å; K184-E188 WeakPolarHBondContact CG-OE1 3.4Å; K184-E188 WeakPolarHBondContact O-CB 3.4Å; K184-E188 PolarHBondContact O-N 2.74Å |
| 185 | L | 77 | Confident | 72.5 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 53% | 0.534 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 178.6 | -165.8 | 116.8 | 0 | 0 | 0 | 112 | G181 F182 R187 E188 K189 | G181-L185 WeakPolarHBondContact O-CB 3.28Å; G181-L185 PolarHBondContact O-N 3.01Å; F182-L185 PolarHBondContact O-N 2.76Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-R187 PolarHBondContact O-N 2.83Å; L185-E188 PolarHBondContact O-N 2.85Å; L185-K189 HydrophobicContact CG-CB 4.37Å; L185-K189 HydrophobicContact CG-CG 4.26Å; L185-K189 WeakPolarHBondContact O-CA 3.39Å; L185-K189 VanDerWaalsContact O-CB 3.28Å; L185-K189 WeakPolarHBondContact O-CB 3.1Å; L185-K189 PolarHBondContact O-N 2.82Å |
| 186 | L | 74.4 | Confident | 73.8 | Confident | 43 Ų | 43 | 78 Ų | 78 | 23% | 0.225 | 42% | 0.417 | C | S | . | . | I | π-helix | trans | -56.7 | -46.2 | 174.9 | -102.9 | 160.1 | 0 | 0 | 0 | 112 | F182 M183 V190 F191 | F182-L186 HydrophobicContact CD1-CD1 3.77Å; F182-L186 HydrophobicContact CE1-CD1 3.2Å; F182-L186 HydrophobicContact CE1-CG 4.34Å; F182-L186 HydrophobicContact CE2-CD1 4.31Å; F182-L186 HydrophobicContact CZ-CD1 3.51Å; F182-L186 HydrophobicContact CZ-CG 4.29Å; F182-L186 PolarHBondContact O-N 2.84Å; M183-L186 HydrophobicContact SD-CD1 4.48Å; L186-V190 HydrophobicContact CD2-CB 4.39Å; L186-V190 HydrophobicContact CD2-CG2 4.43Å; L186-V190 WeakPolarHBondContact O-CB 3.43Å; L186-V190 PolarHBondContact O-N 3.28Å; L186-F191 HydrophobicContact CB-CE2 4.47Å; L186-F191 HydrophobicContact CD2-CE2 4.06Å; L186-F191 HydrophobicContact CD2-CZ 4.41Å; L186-F191 WeakPolarHBondContact O-CD2 3.41Å; L186-F191 PolarHBondContact O-N 2.83Å |
| 187 | R | 71.9 | Confident | 75 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | I | π-helix | trans | -62.8 | -58.3 | 176.4 | -178.1 | -174.1 | 60.4 | -143.7 | 7.2 | 111.8 | S163 M183 K184 L185 Y192 | S163-R187 WeakPolarHBondContact OG-CB 3.21Å; S163-R187 VanDerWaalsContact OG-CD 3.26Å; S163-R187 WeakPolarHBondContact OG-CD 3.3Å; S163-R187 PolarHBondContact OG-NH1 3.22Å; M183-R187 PolarHBondContact O-N 2.87Å; K184-R187 PolarHBondContact O-N 3.22Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-R187 PolarHBondContact O-N 2.83Å; R187-Y192 HydrophobicContact CG-CE1 4.26Å; R187-Y192 HydrophobicContact CG-CE2 4.1Å; R187-Y192 PolarHBondContact O-N 2.76Å |
| 188 | E | 72.4 | Confident | 76.1 | Confident | 80 Ų | 80 | 79.6 Ų | 79.6 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | I | π-helix | trans | -78.9 | -32.1 | -166 | -71.4 | 171.5 | -165.4 | 0 | 0 | 113 | K184 L185 Y192 | K184-E188 VanDerWaalsContact CE-CD 3.49Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 WeakPolarHBondContact CE-OE2 3.22Å; K184-E188 HydrophobicContact CG-CG 4.46Å; K184-E188 WeakPolarHBondContact CG-OE1 3.4Å; K184-E188 WeakPolarHBondContact O-CB 3.4Å; K184-E188 PolarHBondContact O-N 2.74Å; L185-E188 PolarHBondContact O-N 2.85Å; E188-Y192 HydrophobicContact CG-CE2 4.25Å |
| 189 | K | 79.4 | Confident | 77 | Confident | 147 Ų | 147 | 76.7 Ų | 76.7 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | I | π-helix | trans | -102.9 | -28.8 | -175.4 | -66.3 | -70.3 | -175.4 | 177.8 | 0 | 114.1 | L185 T193 | L185-K189 HydrophobicContact CG-CB 4.37Å; L185-K189 HydrophobicContact CG-CG 4.26Å; L185-K189 WeakPolarHBondContact O-CA 3.39Å; L185-K189 VanDerWaalsContact O-CB 3.28Å; L185-K189 WeakPolarHBondContact O-CB 3.1Å; L185-K189 PolarHBondContact O-N 2.82Å; K189-T193 VanDerWaalsContact O-CB 3.25Å; K189-T193 WeakPolarHBondContact O-CB 3.43Å; K189-T193 PolarHBondContact O-OG1 3.01Å |
| 190 | V | 78.8 | Confident | 77.9 | Confident | 60 Ų | 60 | 76 Ų | 76 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | I | π-helix | trans | -101.1 | -62.9 | -177.1 | -175 | 0 | 0 | 0 | 0 | 110.7 | L186 Y192 T193 L194 | L186-V190 HydrophobicContact CD2-CB 4.39Å; L186-V190 HydrophobicContact CD2-CG2 4.43Å; L186-V190 WeakPolarHBondContact O-CB 3.43Å; L186-V190 PolarHBondContact O-N 3.28Å; V190-Y192 PolarHBondContact O-N 3.24Å; V190-T193 PolarHBondContact O-N 3.4Å; V190-L194 HydrophobicContact CG1-CD1 3.85Å; V190-L194 WeakPolarHBondContact O-CB 3.18Å; V190-L194 WeakPolarHBondContact O-CG 3.28Å; V190-L194 PolarHBondContact O-N 3.47Å |
| 191 | F | 77.9 | Confident | 79 | Confident | 87 Ų | 87 | 79.7 Ų | 79.7 | 38% | 0.382 | 40% | 0.399 | S | S | . | . | I | π-helix | trans | -65.2 | -44.6 | -172.9 | -70.3 | -57.6 | 0 | 0 | 0 | 113.2 | L186 L194 C195 | L186-F191 HydrophobicContact CB-CE2 4.47Å; L186-F191 HydrophobicContact CD2-CE2 4.06Å; L186-F191 HydrophobicContact CD2-CZ 4.41Å; L186-F191 WeakPolarHBondContact O-CD2 3.41Å; L186-F191 PolarHBondContact O-N 2.83Å; F191-L194 PolarHBondContact O-N 2.98Å; F191-C195 WeakPolarHBondContact O-CB 3.42Å; F191-C195 PolarHBondContact O-N 3.36Å |
| 192 | Y | 78.9 | Confident | 79.9 | Confident | 92 Ų | 92 | 78.9 Ų | 78.9 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.4 | -67.2 | -20.2 | 0 | 0 | 0 | 112.7 | S160 R187 E188 V190 C195 F196 | S160-Y192 PolarHBondContact OG-OH 3.3Å; R187-Y192 HydrophobicContact CG-CE1 4.26Å; R187-Y192 HydrophobicContact CG-CE2 4.1Å; R187-Y192 PolarHBondContact O-N 2.76Å; E188-Y192 HydrophobicContact CG-CE2 4.25Å; V190-Y192 PolarHBondContact O-N 3.24Å; Y192-C195 PolarHBondContact O-N 3.07Å; Y192-F196 WeakPolarHBondContact O-CB 3.19Å; Y192-F196 PolarHBondContact O-N 3.32Å |
| 193 | T | 82.6 | Confident | 80.4 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 177.9 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | K189 V190 F196 L197 | K189-T193 VanDerWaalsContact O-CB 3.25Å; K189-T193 WeakPolarHBondContact O-CB 3.43Å; K189-T193 PolarHBondContact O-OG1 3.01Å; V190-T193 PolarHBondContact O-N 3.4Å; T193-F196 PolarHBondContact O-N 3.22Å; T193-L197 WeakPolarHBondContact O-CB 3.4Å; T193-L197 PolarHBondContact O-N 3.46Å |
| 194 | L | 81.5 | Confident | 81.2 | Confident | 105 Ų | 105 | 80.4 Ų | 80.4 | 55% | 0.55 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 177.2 | -73.6 | 173.2 | 0 | 0 | 0 | 112.1 | V190 F191 L197 F198 | V190-L194 HydrophobicContact CG1-CD1 3.85Å; V190-L194 WeakPolarHBondContact O-CB 3.18Å; V190-L194 WeakPolarHBondContact O-CG 3.28Å; V190-L194 PolarHBondContact O-N 3.47Å; F191-L194 PolarHBondContact O-N 2.98Å; L194-L197 PolarHBondContact O-N 3.11Å; L194-F198 WeakPolarHBondContact O-CB 3.33Å; L194-F198 PolarHBondContact O-N 3.23Å |
| 195 | C | 82.1 | Confident | 81.9 | Confident | 19 Ų | 19 | 80.5 Ų | 80.5 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.6 | -172 | 0 | 0 | 0 | 0 | 111.5 | V156 F191 Y192 L197 F198 L199 | V156-C195 HydrophobicContact CB-CB 4.38Å; V156-C195 HydrophobicContact CG1-CB 3.85Å; V156-C195 HydrophobicContact CG2-CB 3.85Å; F191-C195 WeakPolarHBondContact O-CB 3.42Å; F191-C195 PolarHBondContact O-N 3.36Å; Y192-C195 PolarHBondContact O-N 3.07Å; C195-L197 VanDerWaalsContact C-N 3.34Å; C195-L197 PolarHBondContact O-N 3.32Å; C195-F198 PolarHBondContact O-N 2.98Å; C195-L199 WeakPolarHBondContact O-CB 3.27Å; C195-L199 WeakPolarHBondContact O-CG 3.29Å; C195-L199 PolarHBondContact O-N 3.04Å |
| 196 | F | 84.8 | Confident | 82.3 | Confident | 145 Ų | 145 | 77.3 Ų | 77.3 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 176.6 | -180 | -96.6 | 0 | 0 | 0 | 111.8 | Y192 T193 S200 | Y192-F196 WeakPolarHBondContact O-CB 3.19Å; Y192-F196 PolarHBondContact O-N 3.32Å; T193-F196 PolarHBondContact O-N 3.22Å; F196-S200 VanDerWaalsContact O-CB 3.28Å; F196-S200 WeakPolarHBondContact O-CB 3.42Å; F196-S200 PolarHBondContact O-N 3.2Å; F196-S200 PolarHBondContact O-OG 3.5Å |
| 197 | L | 85.9 | Confident | 82.8 | Confident | 94 Ų | 94 | 78.4 Ų | 78.4 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.2 | -124.5 | 154.3 | 0 | 0 | 0 | 111.3 | T193 L194 C195 S200 I201 | T193-L197 WeakPolarHBondContact O-CB 3.4Å; T193-L197 PolarHBondContact O-N 3.46Å; L194-L197 PolarHBondContact O-N 3.11Å; C195-L197 VanDerWaalsContact C-N 3.34Å; C195-L197 PolarHBondContact O-N 3.32Å; L197-S200 PolarHBondContact O-N 3.47Å; L197-I201 HydrophobicContact CD2-CD1 3.87Å; L197-I201 HydrophobicContact CD2-CG1 4.48Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.17Å |
| 198 | F | 86.6 | Confident | 83.1 | Confident | 70 Ų | 70 | 81.9 Ų | 81.9 | 31% | 0.307 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -51.8 | 176.3 | 172.4 | -98.9 | 0 | 0 | 0 | 112.1 | A149 C152 L194 C195 S200 I201 F202 | A149-F198 HydrophobicContact CB-CE1 4.34Å; A149-F198 HydrophobicContact CB-CZ 4.33Å; C152-F198 HydrophobicContact CB-CD1 4.41Å; C152-F198 HydrophobicContact CB-CE1 3.94Å; C152-F198 HydrophobicContact CB-CZ 4.24Å; L194-F198 WeakPolarHBondContact O-CB 3.33Å; L194-F198 PolarHBondContact O-N 3.23Å; C195-F198 PolarHBondContact O-N 2.98Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.31Å; F198-I201 PolarHBondContact O-N 3.02Å; F198-F202 HydrophobicContact CZ-CD2 4.48Å; F198-F202 WeakPolarHBondContact O-CB 3.3Å; F198-F202 PolarHBondContact O-N 3.45Å |
| 199 | L | 86.1 | Confident | 83.4 | Confident | 53 Ų | 53 | 80.9 Ų | 80.9 | 28% | 0.277 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 178.7 | -73.9 | 171.2 | 0 | 0 | 0 | 111.1 | C195 I201 F202 F203 | C195-L199 WeakPolarHBondContact O-CB 3.27Å; C195-L199 WeakPolarHBondContact O-CG 3.29Å; C195-L199 PolarHBondContact O-N 3.04Å; L199-I201 PolarHBondContact O-N 3.42Å; L199-F202 PolarHBondContact O-N 3.42Å; L199-F203 HydrophobicContact CB-CD2 4.2Å; L199-F203 HydrophobicContact CB-CE2 4.17Å; L199-F203 HydrophobicContact CD2-CE2 3.87Å; L199-F203 HydrophobicContact CD2-CZ 4.48Å; L199-F203 WeakPolarHBondContact O-CB 3.4Å; L199-F203 WeakPolarHBondContact O-CD2 3.26Å; L199-F203 PolarHBondContact O-N 3.04Å |
| 200 | S | 88.4 | Confident | 83.1 | Confident | 49 Ų | 49 | 76 Ų | 76 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 177.6 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | F196 L197 F198 N204 | F196-S200 VanDerWaalsContact O-CB 3.28Å; F196-S200 WeakPolarHBondContact O-CB 3.42Å; F196-S200 PolarHBondContact O-N 3.2Å; F196-S200 PolarHBondContact O-OG 3.5Å; L197-S200 PolarHBondContact O-N 3.47Å; F198-S200 VanDerWaalsContact C-N 3.29Å; F198-S200 PolarHBondContact O-N 3.31Å; S200-N204 WeakPolarHBondContact O-CB 3.36Å; S200-N204 PolarHBondContact O-N 3.02Å; S200-N204 VanDerWaalsContact O-N 3.09Å |
| 201 | I | 86.4 | Confident | 82.8 | Confident | 110 Ų | 110 | 76 Ų | 76 | 56% | 0.564 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64 | -46.7 | 177.4 | -67.4 | 167.3 | 0 | 0 | 0 | 110.6 | L197 F198 L199 N204 L205 | L197-I201 HydrophobicContact CD2-CD1 3.87Å; L197-I201 HydrophobicContact CD2-CG1 4.48Å; L197-I201 WeakPolarHBondContact O-CG1 3.34Å; L197-I201 PolarHBondContact O-N 3.17Å; F198-I201 PolarHBondContact O-N 3.02Å; L199-I201 PolarHBondContact O-N 3.42Å; I201-N204 PolarHBondContact O-N 3.07Å; I201-L205 WeakPolarHBondContact O-CB 3.4Å; I201-L205 PolarHBondContact O-N 3.16Å |
| 202 | F | 87.3 | Confident | 82.3 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 10% | 0.096 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | -177.7 | -176.5 | -93.3 | 0 | 0 | 0 | 112 | L141 W146 A149 F198 L199 N204 L205 Y206 | L141-F202 HydrophobicContact CD2-CE2 3.51Å; L141-F202 HydrophobicContact CD2-CZ 3.56Å; W146-F202 HydrophobicContact CD2-CZ 4.48Å; W146-F202 HydrophobicContact CE3-CE1 4.34Å; W146-F202 HydrophobicContact CE3-CZ 4.14Å; W146-F202 HydrophobicContact CH2-CE1 4.31Å; W146-F202 AromaticContact CZ3-CE1 3.97Å; W146-F202 HydrophobicContact CZ3-CE1 3.97Å; W146-F202 HydrophobicContact CZ3-CZ 4.2Å; A149-F202 HydrophobicContact CB-CD2 4.3Å; A149-F202 HydrophobicContact CB-CE1 4.19Å; A149-F202 HydrophobicContact CB-CE2 3.85Å; A149-F202 HydrophobicContact CB-CZ 3.79Å; F198-F202 HydrophobicContact CZ-CD2 4.48Å; F198-F202 WeakPolarHBondContact O-CB 3.3Å; F198-F202 PolarHBondContact O-N 3.45Å; L199-F202 PolarHBondContact O-N 3.42Å; F202-N204 VanDerWaalsContact C-N 3.34Å; F202-N204 PolarHBondContact O-N 3.36Å; F202-L205 PolarHBondContact O-N 2.94Å; F202-Y206 WeakPolarHBondContact O-CB 3.35Å; F202-Y206 PolarHBondContact O-N 3.36Å |
| 203 | F | 86.8 | Confident | 81.6 | Confident | 117 Ų | 117 | 72 Ų | 72 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67 | -34.7 | 178.6 | -74.9 | -57.5 | 0 | 0 | 0 | 112.5 | L199 Y206 S207 | L199-F203 HydrophobicContact CB-CD2 4.2Å; L199-F203 HydrophobicContact CB-CE2 4.17Å; L199-F203 HydrophobicContact CD2-CE2 3.87Å; L199-F203 HydrophobicContact CD2-CZ 4.48Å; L199-F203 WeakPolarHBondContact O-CB 3.4Å; L199-F203 WeakPolarHBondContact O-CD2 3.26Å; L199-F203 PolarHBondContact O-N 3.04Å; F203-Y206 PolarHBondContact O-N 3.43Å; F203-S207 VanDerWaalsContact O-CB 3.29Å; F203-S207 WeakPolarHBondContact O-CB 3.01Å; F203-S207 PolarHBondContact O-N 3.33Å |
| 204 | N | 87.2 | Confident | 80.7 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.4 | -46.4 | 175.1 | -129.6 | -31.5 | 0 | 0 | 0 | 111.5 | S200 I201 F202 Y206 S207 N208 | S200-N204 WeakPolarHBondContact O-CB 3.36Å; S200-N204 PolarHBondContact O-N 3.02Å; S200-N204 VanDerWaalsContact O-N 3.09Å; I201-N204 PolarHBondContact O-N 3.07Å; F202-N204 VanDerWaalsContact C-N 3.34Å; F202-N204 PolarHBondContact O-N 3.36Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 2.73Å; N204-S207 PolarHBondContact O-N 3.5Å; N204-N208 PolarHBondContact O-N 2.97Å |
| 205 | L | 84.4 | Confident | 79.4 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 176.3 | -169.2 | 86.4 | 0 | 0 | 0 | 111 | I201 F202 S207 N208 I209 | I201-L205 WeakPolarHBondContact O-CB 3.4Å; I201-L205 PolarHBondContact O-N 3.16Å; F202-L205 PolarHBondContact O-N 2.94Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 3.27Å; L205-N208 PolarHBondContact O-N 3.34Å; L205-I209 HydrophobicContact CD2-CD1 4.27Å; L205-I209 HydrophobicContact CG-CD1 4.12Å; L205-I209 WeakPolarHBondContact O-CG1 3.09Å; L205-I209 PolarHBondContact O-N 3.19Å |
| 206 | Y | 85.6 | Confident | 78.1 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 178 | 179.1 | -117.7 | 0 | 0 | 0 | 111.8 | A137 L140 L141 W146 F202 F203 N204 N208 I209 L210 | A137-Y206 WeakPolarHBondContact O-CE2 3.29Å; A137-Y206 PolarHBondContact O-OH 2.94Å; L140-Y206 HydrophobicContact CB-CE2 4.43Å; L141-Y206 HydrophobicContact CD1-CD2 3.8Å; W146-Y206 HydrophobicContact CH2-CE1 4.35Å; W146-Y206 HydrophobicContact CH2-CE2 4.41Å; W146-Y206 HydrophobicContact CZ2-CD2 4.2Å; W146-Y206 HydrophobicContact CZ2-CE1 4.43Å; W146-Y206 AromaticContact CZ2-CE2 3.74Å; W146-Y206 HydrophobicContact CZ2-CE2 3.74Å; W146-Y206 AromaticContact CZ2-CZ 3.86Å; F202-Y206 WeakPolarHBondContact O-CB 3.35Å; F202-Y206 PolarHBondContact O-N 3.36Å; F203-Y206 PolarHBondContact O-N 3.43Å; N204-Y206 VanDerWaalsContact C-N 3.34Å; N204-Y206 PolarHBondContact O-N 2.73Å; Y206-N208 VanDerWaalsContact C-N 3.32Å; Y206-N208 PolarHBondContact O-N 2.99Å; Y206-I209 PolarHBondContact O-N 3.3Å; Y206-L210 HydrophobicContact CE1-CD1 4.1Å; Y206-L210 HydrophobicContact CE2-CD1 4.34Å; Y206-L210 VanDerWaalsContact O-CB 3.24Å; Y206-L210 WeakPolarHBondContact O-CB 3.48Å; Y206-L210 PolarHBondContact O-N 2.73Å |
| 207 | S | 83.1 | Confident | 76.5 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 176 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | F203 N204 L205 L210 S211 | F203-S207 VanDerWaalsContact O-CB 3.29Å; F203-S207 WeakPolarHBondContact O-CB 3.01Å; F203-S207 PolarHBondContact O-N 3.33Å; N204-S207 PolarHBondContact O-N 3.5Å; L205-S207 VanDerWaalsContact C-N 3.34Å; L205-S207 PolarHBondContact O-N 3.27Å; S207-L210 PolarHBondContact O-N 3.1Å; S207-S211 PolarHBondContact O-N 2.8Å |
| 208 | N | 79.6 | Confident | 74.8 | Confident | 98 Ų | 98 | 72.7 Ų | 72.7 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 175.6 | -74.9 | -18.7 | 0 | 0 | 0 | 111.5 | N204 L205 Y206 L210 S211 V212 | N204-N208 PolarHBondContact O-N 2.97Å; L205-N208 PolarHBondContact O-N 3.34Å; Y206-N208 VanDerWaalsContact C-N 3.32Å; Y206-N208 PolarHBondContact O-N 2.99Å; N208-L210 VanDerWaalsContact C-N 3.31Å; N208-L210 PolarHBondContact O-N 3.03Å; N208-S211 PolarHBondContact O-N 2.89Å; N208-S211 PolarHBondContact O-OG 3.32Å; N208-V212 PolarHBondContact O-N 3.3Å |
| 209 | I | 77 | Confident | 72.8 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 177 | -66 | 165.5 | 0 | 0 | 0 | 110.8 | L140 L141 L205 Y206 S211 V212 G213 | L140-I209 HydrophobicContact CB-CG2 3.98Å; L140-I209 HydrophobicContact CD2-CG2 4.06Å; L141-I209 HydrophobicContact CD1-CD1 3.55Å; L205-I209 HydrophobicContact CD2-CD1 4.27Å; L205-I209 HydrophobicContact CG-CD1 4.12Å; L205-I209 WeakPolarHBondContact O-CG1 3.09Å; L205-I209 PolarHBondContact O-N 3.19Å; Y206-I209 PolarHBondContact O-N 3.3Å; I209-S211 VanDerWaalsContact C-N 3.32Å; I209-S211 PolarHBondContact O-N 2.91Å; I209-V212 PolarHBondContact O-N 2.72Å; I209-G213 PolarHBondContact O-N 3.18Å |
| 210 | L | 74.9 | Confident | 70.8 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.6 | -166.2 | 107.6 | 0 | 0 | 0 | 111.1 | A137 L140 Y206 S207 N208 V212 G213 L214 | A137-L210 HydrophobicContact CB-CD1 4.42Å; L140-L210 HydrophobicContact CD1-CB 4.33Å; L140-L210 HydrophobicContact CD1-CD1 3.85Å; L140-L210 HydrophobicContact CD1-CG 4.29Å; Y206-L210 HydrophobicContact CE1-CD1 4.1Å; Y206-L210 HydrophobicContact CE2-CD1 4.34Å; Y206-L210 VanDerWaalsContact O-CB 3.24Å; Y206-L210 WeakPolarHBondContact O-CB 3.48Å; Y206-L210 PolarHBondContact O-N 2.73Å; S207-L210 PolarHBondContact O-N 3.1Å; N208-L210 VanDerWaalsContact C-N 3.31Å; N208-L210 PolarHBondContact O-N 3.03Å; L210-V212 PolarHBondContact O-N 3.36Å; L210-G213 PolarHBondContact O-N 3.41Å; L210-L214 HydrophobicContact CD2-CD1 3.51Å; L210-L214 HydrophobicContact CD2-CG 4.46Å; L210-L214 HydrophobicContact CG-CD1 3.75Å; L210-L214 HydrophobicContact CG-CG 4.18Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 WeakPolarHBondContact O-CG 3.34Å; L210-L214 PolarHBondContact O-N 3.34Å |
| 211 | S | 71.8 | Confident | 69 | Low | 60 Ų | 60 | 78.6 Ų | 78.6 | 42% | 0.42 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 177.5 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | S207 N208 I209 V215 | S207-S211 PolarHBondContact O-N 2.8Å; N208-S211 PolarHBondContact O-N 2.89Å; N208-S211 PolarHBondContact O-OG 3.32Å; I209-S211 VanDerWaalsContact C-N 3.32Å; I209-S211 PolarHBondContact O-N 2.91Å; S211-V215 WeakPolarHBondContact O-CB 3.49Å; S211-V215 WeakPolarHBondContact O-CG2 3.42Å; S211-V215 PolarHBondContact O-N 2.85Å; S211-V215 VanDerWaalsContact O-N 3.15Å |
| 212 | V | 66.8 | Low | 67.3 | Low | 89 Ų | 89 | 75.6 Ų | 75.6 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.5 | -49 | 176.1 | 178 | 0 | 0 | 0 | 0 | 110.5 | N208 I209 L210 L214 V215 E216 | N208-V212 PolarHBondContact O-N 3.3Å; I209-V212 PolarHBondContact O-N 2.72Å; L210-V212 PolarHBondContact O-N 3.36Å; V212-L214 VanDerWaalsContact C-N 3.29Å; V212-L214 PolarHBondContact O-N 3.13Å; V212-V215 PolarHBondContact O-N 2.82Å; V212-E216 WeakPolarHBondContact O-CB 3.38Å; V212-E216 PolarHBondContact O-N 2.78Å |
| 213 | G | 63.9 | Low | 65.9 | Low | 4 Ų | 4 | 76.5 Ų | 76.5 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.9 | -21.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F135 I209 L210 K392 | F135-G213 WeakPolarHBondContact CZ-O 3.37Å; I209-G213 PolarHBondContact O-N 3.18Å; L210-G213 PolarHBondContact O-N 3.41Å; G213-K392 PolarHBondContact O-NZ 2.73Å |
| 214 | L | 63.6 | Low | 64.8 | Low | 48 Ų | 48 | 74.8 Ų | 74.8 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -78.8 | -43 | 172.2 | -77.5 | 170.6 | 0 | 0 | 0 | 111.3 | L210 V212 K392 | L210-L214 HydrophobicContact CD2-CD1 3.51Å; L210-L214 HydrophobicContact CD2-CG 4.46Å; L210-L214 HydrophobicContact CG-CD1 3.75Å; L210-L214 HydrophobicContact CG-CG 4.18Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 WeakPolarHBondContact O-CG 3.34Å; L210-L214 PolarHBondContact O-N 3.34Å; V212-L214 VanDerWaalsContact C-N 3.29Å; V212-L214 PolarHBondContact O-N 3.13Å; L214-K392 HydrophobicContact CD2-CB 3.94Å; L214-K392 HydrophobicContact CD2-CD 3.79Å; L214-K392 PolarHBondContact O-NZ 2.83Å |
| 215 | V | 55.9 | Low | 64.1 | Low | 89 Ų | 89 | 70.5 Ų | 70.5 | 54% | 0.539 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -75.5 | -36.5 | -178.6 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | S211 V212 K217 M386 | S211-V215 WeakPolarHBondContact O-CB 3.49Å; S211-V215 WeakPolarHBondContact O-CG2 3.42Å; S211-V215 PolarHBondContact O-N 2.85Å; S211-V215 VanDerWaalsContact O-N 3.15Å; V212-V215 PolarHBondContact O-N 2.82Å; V215-K217 PolarHBondContact O-N 3.04Å; V215-K217 VanDerWaalsContact O-N 3.12Å; V215-M386 WeakPolarHBondContact O-CE 3.35Å |
| 216 | E | 53.7 | Low | 63.6 | Low | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -73.6 | 108.6 | 171.6 | -151.4 | 169.7 | -161.5 | 0 | 0 | 107.2 | V212 Q218 K392 | V212-E216 WeakPolarHBondContact O-CB 3.38Å; V212-E216 PolarHBondContact O-N 2.78Å; E216-Q218 PolarHBondContact O-N 3.47Å; E216-K392 PolarHBondContact O-NZ 2.85Å |
| 217 | K | 52.1 | Low | 63.3 | Low | 102 Ų | 102 | 76.4 Ų | 76.4 | 44% | 0.443 | 40% | 0.4 | S | S | . | . | trans | -56.7 | 104.4 | 155.6 | -92.5 | -172.8 | 177 | -176.6 | 0 | 104.5 | V215 T219 M386 | V215-K217 PolarHBondContact O-N 3.04Å; V215-K217 VanDerWaalsContact O-N 3.12Å; K217-T219 HydrophobicContact CB-CG2 4.22Å; K217-T219 PolarHBondContact O-N 3.09Å; K217-T219 PolarHBondContact O-OG1 2.81Å; K217-M386 HydrophobicContact CG-SD 4.24Å | ||
| 218 | Q | 48.9 | Very low | 63.3 | Low | 95 Ų | 95 | 74.4 Ų | 74.4 | 44% | 0.444 | 38% | 0.384 | S | S | . | . | trans | -68.2 | 70.5 | 163.2 | -76.9 | -165.2 | -10.6 | 0 | 0 | 106.9 | L131 E216 K220 | L131-Q218 HydrophobicContact CD1-CB 4.38Å; L131-Q218 WeakPolarHBondContact CD1-O 3.37Å; E216-Q218 PolarHBondContact O-N 3.47Å; Q218-K220 PolarHBondContact O-N 2.79Å; Q218-K220 VanDerWaalsContact O-N 3.11Å | ||
| 219 | T | 46 | Very low | 63.5 | Low | 40 Ų | 40 | 71.5 Ų | 71.5 | 25% | 0.245 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 87.5 | 153.8 | 46.6 | 0 | 0 | 0 | 0 | 103.6 | L128 K217 F221 | L128-T219 HydrophobicContact CB-CG2 4.17Å; L128-T219 VanDerWaalsContact CD2-CB 3.45Å; L128-T219 HydrophobicContact CD2-CG2 3.6Å; L128-T219 HydrophobicContact CG-CG2 4.43Å; K217-T219 HydrophobicContact CB-CG2 4.22Å; K217-T219 PolarHBondContact O-N 3.09Å; K217-T219 PolarHBondContact O-OG1 2.81Å; T219-F221 PolarHBondContact O-N 2.04Å |
| 220 | K | 44.3 | Very low | 63.9 | Low | 143 Ų | 143 | 72.4 Ų | 72.4 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 121.7 | 169.3 | -165 | 174.2 | -172.6 | 176.6 | 0 | 105 | L131 Q218 V222 | L131-K220 HydrophobicContact CD1-CB 3.48Å; L131-K220 VanDerWaalsContact CD1-CB 3.48Å; L131-K220 HydrophobicContact CD1-CD 4.42Å; Q218-K220 PolarHBondContact O-N 2.79Å; Q218-K220 VanDerWaalsContact O-N 3.11Å; K220-V222 VanDerWaalsContact C-N 3.27Å; K220-V222 HydrophobicContact CB-CG2 4.24Å; K220-V222 HydrophobicContact CG-CG2 4.43Å; K220-V222 WeakPolarHBondContact O-CG2 3.08Å; K220-V222 PolarHBondContact O-N 3.42Å |
| 221 | F | 50.1 | Low | 64.5 | Low | 112 Ų | 112 | 70.2 Ų | 70.2 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 98.1 | 168.7 | -57 | -93.2 | 0 | 0 | 0 | 106.2 | R126 T219 T223 D322 | R126-F221 HydrophobicContact CG-CD1 3.66Å; R126-F221 HydrophobicContact CG-CE1 4.06Å; T219-F221 PolarHBondContact O-N 2.04Å; F221-T223 PolarHBondContact O-N 2.84Å; F221-D322 WeakPolarHBondContact CD1-OD2 3.34Å |
| 222 | V | 49.6 | Very low | 65.2 | Low | 48 Ų | 48 | 67.4 Ų | 67.4 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | trans | -94.2 | 97.3 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 105.6 | K220 | K220-V222 VanDerWaalsContact C-N 3.27Å; K220-V222 HydrophobicContact CB-CG2 4.24Å; K220-V222 HydrophobicContact CG-CG2 4.43Å; K220-V222 WeakPolarHBondContact O-CG2 3.08Å; K220-V222 PolarHBondContact O-N 3.42Å | ||
| 223 | T | 57.4 | Low | 66.3 | Low | 40 Ų | 40 | 67 Ų | 67 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | trans | -61.6 | 139.2 | 156.8 | 43.5 | 0 | 0 | 0 | 0 | 107.9 | F124 F221 F225 | F124-T223 HydrophobicContact CD1-CG2 4.29Å; F124-T223 HydrophobicContact CD2-CG2 3.65Å; F124-T223 HydrophobicContact CE1-CG2 3.82Å; F124-T223 HydrophobicContact CE2-CG2 3.14Å; F124-T223 HydrophobicContact CG-CG2 4.2Å; F124-T223 HydrophobicContact CZ-CG2 3.22Å; F221-T223 PolarHBondContact O-N 2.84Å; T223-F225 WeakPolarHBondContact CB-O 3.5Å; T223-F225 HydrophobicContact CG2-CE1 4.5Å; T223-F225 HydrophobicContact CG2-CZ 4.36Å; T223-F225 PolarHBondContact O-N 3.43Å; T223-F225 PolarHBondContact OG1-O 3.18Å | ||
| 224 | N | 64.9 | Low | 67.6 | Low | 81 Ų | 81 | 67.5 Ų | 67.5 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -63 | -0.8 | 173.7 | -75.5 | -34.7 | 0 | 0 | 0 | 113.4 | E127 | E127-N224 PolarHBondContact OE1-ND2 3.46Š|
| 225 | F | 72.5 | Confident | 68.9 | Low | 18 Ų | 18 | 65.4 Ų | 65.4 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | trans | -142 | 145.2 | 177.9 | 59.3 | -86.4 | 0 | 0 | 0 | 110.8 | F124 T223 E230 L231 L234 I303 | F124-F225 HydrophobicContact CD1-CZ 4.11Å; F124-F225 HydrophobicContact CE1-CZ 4.43Å; T223-F225 WeakPolarHBondContact CB-O 3.5Å; T223-F225 HydrophobicContact CG2-CE1 4.5Å; T223-F225 HydrophobicContact CG2-CZ 4.36Å; T223-F225 PolarHBondContact O-N 3.43Å; T223-F225 PolarHBondContact OG1-O 3.18Å; F225-E230 HydrophobicContact CB-CB 4.07Å; F225-E230 HydrophobicContact CB-CG 3.95Å; F225-L231 HydrophobicContact CB-CB 4.27Å; F225-L231 HydrophobicContact CD1-CB 4.31Å; F225-L231 HydrophobicContact CD1-CD1 3.82Å; F225-L231 HydrophobicContact CD2-CB 3.82Å; F225-L231 HydrophobicContact CD2-CD2 4.49Å; F225-L231 HydrophobicContact CE1-CD1 3.87Å; F225-L231 HydrophobicContact CE1-CD2 4.36Å; F225-L231 HydrophobicContact CE2-CB 4.22Å; F225-L231 HydrophobicContact CE2-CD2 4.06Å; F225-L231 HydrophobicContact CG-CB 3.87Å; F225-L231 HydrophobicContact CG-CD1 4.25Å; F225-L231 HydrophobicContact CZ-CD1 4.33Å; F225-L231 HydrophobicContact CZ-CD2 3.99Å; F225-L234 HydrophobicContact CB-CD1 4.03Å; F225-I303 HydrophobicContact CE1-CD1 4.09Å | ||
| 226 | K | 73.5 | Confident | 70.5 | Confident | 196 Ų | 196 | 62.9 Ų | 62.9 | 85% | 0.852 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -99.6 | -11.6 | 178 | -63.4 | 175.7 | -177.5 | 170.5 | 0 | 113.3 | E230 | K226-E230 WeakPolarHBondContact CB-OE2 3.28Å; K226-E230 PolarHBondContact N-OE2 3.31Å |
| 227 | S | 80.1 | Confident | 72.3 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -151.1 | 159.5 | -178.4 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | A229 E230 L231 | S227-A229 PolarHBondContact O-N 2.72Å; S227-E230 PolarHBondContact O-N 3.32Å; S227-E230 VanDerWaalsContact O-N 3.13Å; S227-E230 PolarHBondContact OG-N 3.2Å; S227-L231 PolarHBondContact O-N 3.46Å |
| 228 | L | 82.6 | Confident | 74.2 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.4 | -34.8 | 172.4 | -69.7 | 174.2 | 0 | 0 | 0 | 111.6 | L122 E230 L231 G232 W269 F273 L326 V329 | L122-L228 HydrophobicContact CD1-CD2 3.79Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.9Å; L228-L231 HydrophobicContact CD2-CD2 4.34Å; L228-L231 WeakPolarHBondContact O-CB 3.42Å; L228-L231 PolarHBondContact O-N 2.94Å; L228-G232 PolarHBondContact O-N 3.34Å; L228-W269 HydrophobicContact CB-CB 4.04Å; L228-W269 HydrophobicContact CB-CD2 4Å; L228-W269 HydrophobicContact CB-CG 3.76Å; L228-W269 HydrophobicContact CD1-CD2 4Å; L228-W269 HydrophobicContact CD1-CG 4.33Å; L228-W269 HydrophobicContact CD1-CZ2 3.91Å; L228-F273 HydrophobicContact CB-CE2 4.29Å; L228-F273 HydrophobicContact CD2-CZ 4.41Å; L228-F273 WeakPolarHBondContact O-CE2 3.39Å; L228-L326 HydrophobicContact CD1-CD2 4.44Å; L228-L326 HydrophobicContact CD2-CD2 4.1Å; L228-V329 HydrophobicContact CD1-CG1 4.2Å |
| 229 | A | 83.3 | Confident | 76.1 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S227 G232 Q233 W269 | S227-A229 PolarHBondContact O-N 2.72Å; A229-G232 PolarHBondContact O-N 2.68Å; A229-Q233 PolarHBondContact O-N 3.11Å; A229-Q233 VanDerWaalsContact O-N 3.08Å; A229-W269 HydrophobicContact CB-CB 4.39Å |
| 230 | E | 86.1 | Confident | 78.2 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 176 | -172.6 | 173.7 | -170.1 | 0 | 0 | 111.5 | F225 K226 S227 L228 G232 Q233 L234 | F225-E230 HydrophobicContact CB-CB 4.07Å; F225-E230 HydrophobicContact CB-CG 3.95Å; K226-E230 WeakPolarHBondContact CB-OE2 3.28Å; K226-E230 PolarHBondContact N-OE2 3.31Å; S227-E230 PolarHBondContact O-N 3.32Å; S227-E230 VanDerWaalsContact O-N 3.13Å; S227-E230 PolarHBondContact OG-N 3.2Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 2.9Å; E230-G232 VanDerWaalsContact C-N 3.32Å; E230-G232 PolarHBondContact O-N 3.12Å; E230-Q233 WeakPolarHBondContact O-CB 3.5Å; E230-Q233 PolarHBondContact O-N 3.15Å; E230-L234 WeakPolarHBondContact O-CG 3.27Å; E230-L234 PolarHBondContact O-N 3.29Å |
| 231 | L | 87.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 170.7 | -179.6 | 57 | 0 | 0 | 0 | 111.6 | L122 F225 S227 L228 Q233 L234 L235 F273 I303 | L122-L231 HydrophobicContact CD1-CD2 3.58Å; F225-L231 HydrophobicContact CB-CB 4.27Å; F225-L231 HydrophobicContact CD1-CB 4.31Å; F225-L231 HydrophobicContact CD1-CD1 3.82Å; F225-L231 HydrophobicContact CD2-CB 3.82Å; F225-L231 HydrophobicContact CD2-CD2 4.49Å; F225-L231 HydrophobicContact CE1-CD1 3.87Å; F225-L231 HydrophobicContact CE1-CD2 4.36Å; F225-L231 HydrophobicContact CE2-CB 4.22Å; F225-L231 HydrophobicContact CE2-CD2 4.06Å; F225-L231 HydrophobicContact CG-CB 3.87Å; F225-L231 HydrophobicContact CG-CD1 4.25Å; F225-L231 HydrophobicContact CZ-CD1 4.33Å; F225-L231 HydrophobicContact CZ-CD2 3.99Å; S227-L231 PolarHBondContact O-N 3.46Å; L228-L231 HydrophobicContact CD2-CD2 4.34Å; L228-L231 WeakPolarHBondContact O-CB 3.42Å; L228-L231 PolarHBondContact O-N 2.94Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 PolarHBondContact O-N 3.31Å; L231-L234 PolarHBondContact O-N 2.86Å; L231-L234 VanDerWaalsContact O-N 3.15Å; L231-L235 HydrophobicContact CD1-CG 4.36Å; L231-L235 HydrophobicContact CG-CD1 4.24Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.34Å; L231-L235 PolarHBondContact O-N 2.82Å; L231-F273 HydrophobicContact CB-CZ 4.38Å; L231-F273 HydrophobicContact CD2-CZ 4.01Å; L231-F273 HydrophobicContact CG-CZ 4.06Å; L231-I303 HydrophobicContact CD1-CD1 4.4Å; L231-I303 HydrophobicContact CD1-CG1 4.03Å |
| 232 | G | 87.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 A229 E230 L235 L236 I272 | L228-G232 PolarHBondContact O-N 3.34Å; A229-G232 PolarHBondContact O-N 2.68Å; E230-G232 VanDerWaalsContact C-N 3.32Å; E230-G232 PolarHBondContact O-N 3.12Å; G232-L235 PolarHBondContact O-N 3.37Å; G232-L236 WeakPolarHBondContact O-CB 3.45Å; G232-L236 PolarHBondContact O-N 2.73Å; G232-I272 WeakPolarHBondContact O-CG2 3.37Å |
| 233 | Q | 89.8 | Confident | 84.5 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 174.8 | -75.2 | -69.3 | -4.2 | 0 | 0 | 112 | A229 E230 L231 L235 L236 E237 | A229-Q233 PolarHBondContact O-N 3.11Å; A229-Q233 VanDerWaalsContact O-N 3.08Å; E230-Q233 WeakPolarHBondContact O-CB 3.5Å; E230-Q233 PolarHBondContact O-N 3.15Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 PolarHBondContact O-N 3.31Å; Q233-L235 VanDerWaalsContact C-N 3.25Å; Q233-L235 PolarHBondContact O-N 3.42Å; Q233-L236 WeakPolarHBondContact O-CB 3.4Å; Q233-L236 PolarHBondContact O-N 3.43Å; Q233-L236 VanDerWaalsContact O-N 3.09Å; Q233-E237 WeakPolarHBondContact O-CB 3.26Å; Q233-E237 WeakPolarHBondContact O-CG 3.22Å; Q233-E237 PolarHBondContact O-N 2.83Å |
| 234 | L | 90.1 | Very high | 86 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 176.4 | -67.9 | 172.9 | 0 | 0 | 0 | 112.3 | F225 E230 L231 K238 R239 C240 | F225-L234 HydrophobicContact CB-CD1 4.03Å; E230-L234 WeakPolarHBondContact O-CG 3.27Å; E230-L234 PolarHBondContact O-N 3.29Å; L231-L234 PolarHBondContact O-N 2.86Å; L231-L234 VanDerWaalsContact O-N 3.15Å; L234-K238 PolarHBondContact O-N 3.09Å; L234-R239 HydrophobicContact CD2-CB 4.13Å; L234-R239 PolarHBondContact O-N 3.43Å; L234-C240 HydrophobicContact CB-CB 4.17Å; L234-C240 PolarHBondContact O-N 3.31Å; L234-C240 VanDerWaalsContact O-N 3.12Å |
| 235 | L | 90.7 | Very high | 87 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 174.2 | -65.9 | 173.1 | 0 | 0 | 0 | 111.7 | L231 G232 Q233 K238 C240 L242 F273 A276 N280 | L231-L235 HydrophobicContact CD1-CG 4.36Å; L231-L235 HydrophobicContact CG-CD1 4.24Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.34Å; L231-L235 PolarHBondContact O-N 2.82Å; G232-L235 PolarHBondContact O-N 3.37Å; Q233-L235 VanDerWaalsContact C-N 3.25Å; Q233-L235 PolarHBondContact O-N 3.42Å; L235-K238 PolarHBondContact O-N 3.19Å; L235-K238 VanDerWaalsContact O-N 3.15Å; L235-C240 HydrophobicContact CD2-CB 4.13Å; L235-C240 WeakPolarHBondContact CD2-O 3.5Å; L235-L242 HydrophobicContact CD1-CD1 3.93Å; L235-L242 HydrophobicContact CD1-CD2 3.89Å; L235-L242 HydrophobicContact CD1-CG 3.77Å; L235-L242 HydrophobicContact CD2-CD2 4.13Å; L235-L242 HydrophobicContact CD2-CG 3.78Å; L235-L242 HydrophobicContact CG-CG 4.44Å; L235-F273 HydrophobicContact CD1-CD1 4.15Å; L235-F273 HydrophobicContact CD1-CE1 3.68Å; L235-F273 HydrophobicContact CD1-CZ 4.17Å; L235-A276 HydrophobicContact CB-CB 3.73Å; L235-N280 WeakPolarHBondContact O-CB 3.27Å; L235-N280 PolarHBondContact O-ND2 2.83Å |
| 236 | L | 90 | Very high | 87.6 | Confident | 35 Ų | 35 | 51 Ų | 51 | 18% | 0.183 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 179 | -175.6 | 66.4 | 0 | 0 | 0 | 112 | G232 Q233 K238 Q275 A276 V279 | G232-L236 WeakPolarHBondContact O-CB 3.45Å; G232-L236 PolarHBondContact O-N 2.73Å; Q233-L236 WeakPolarHBondContact O-CB 3.4Å; Q233-L236 PolarHBondContact O-N 3.43Å; Q233-L236 VanDerWaalsContact O-N 3.09Å; L236-K238 PolarHBondContact O-N 3.45Å; L236-Q275 HydrophobicContact CD1-CB 4Å; L236-Q275 HydrophobicContact CD1-CG 3.63Å; L236-A276 HydrophobicContact CB-CB 4.08Å; L236-A276 HydrophobicContact CD1-CB 4.46Å; L236-V279 HydrophobicContact CD1-CB 4.38Å; L236-V279 HydrophobicContact CD1-CG2 4.24Å |
| 237 | E | 91.5 | Very high | 87.7 | Confident | 112 Ų | 112 | 42.4 Ų | 42.4 | 52% | 0.523 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1.4 | 175.6 | -68 | 179.2 | 176.6 | 0 | 0 | 113.4 | Q233 R239 | Q233-E237 WeakPolarHBondContact O-CB 3.26Å; Q233-E237 WeakPolarHBondContact O-CG 3.22Å; Q233-E237 PolarHBondContact O-N 2.83Å; E237-R239 HydrophobicContact CB-CG 3.97Å; E237-R239 PolarHBondContact O-N 2.92Å; E237-R239 VanDerWaalsContact OE2-CD 3.23Å; E237-R239 WeakPolarHBondContact OE2-CD 3.18Å |
| 238 | K | 91 | Very high | 87.5 | Confident | 133 Ų | 133 | 40 Ų | 40 | 58% | 0.578 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22 | -174.8 | -54.5 | -179.3 | 176.3 | -172 | 0 | 113.9 | L234 L235 L236 V279 N280 | L234-K238 PolarHBondContact O-N 3.09Å; L235-K238 PolarHBondContact O-N 3.19Å; L235-K238 VanDerWaalsContact O-N 3.15Å; L236-K238 PolarHBondContact O-N 3.45Å; K238-V279 WeakPolarHBondContact CE-O 3.48Å; K238-V279 PolarHBondContact NZ-O 3.18Å; K238-N280 HydrophobicContact CG-CB 4.01Å |
| 239 | R | 89.7 | Confident | 86.7 | Confident | 171 Ų | 171 | 40.7 Ų | 40.7 | 65% | 0.645 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -77.3 | -32.7 | 174.5 | -68.1 | -172.8 | 65.2 | -167.7 | -3.8 | 111.7 | L234 E237 C301 | L234-R239 HydrophobicContact CD2-CB 4.13Å; L234-R239 PolarHBondContact O-N 3.43Å; E237-R239 HydrophobicContact CB-CG 3.97Å; E237-R239 PolarHBondContact O-N 2.92Å; E237-R239 VanDerWaalsContact OE2-CD 3.23Å; E237-R239 WeakPolarHBondContact OE2-CD 3.18Å; R239-C301 WeakPolarHBondContact O-CB 3.34Å |
| 240 | C | 91.1 | Very high | 85.7 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 161.1 | 170.6 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | L234 L235 N280 C301 I303 | L234-C240 HydrophobicContact CB-CB 4.17Å; L234-C240 PolarHBondContact O-N 3.31Å; L234-C240 VanDerWaalsContact O-N 3.12Å; L235-C240 HydrophobicContact CD2-CB 4.13Å; L235-C240 WeakPolarHBondContact CD2-O 3.5Å; C240-N280 PolarHBondContact O-ND2 2.89Å; C240-C301 CarbonylContact C-O 3.14Å; C240-C301 WeakPolarHBondContact CA-O 3.49Å; C240-C301 HydrophobicContact CB-CB 3.77Å; C240-C301 WeakPolarHBondContact CB-O 3.46Å; C240-C301 WeakPolarHBondContact CB-SG 3.45Å; C240-C301 WeakPolarHBondContact SG-CB 3.28Å; C240-C301 CovalentContact SG-SG 2.04Å; C240-C301 PolarHBondContact SG-SG 3.21Å; C240-I303 HydrophobicContact CB-CG1 4.37Å |
| 241 | R | 91.2 | Very high | 84.3 | Confident | 88 Ų | 88 | 41 Ų | 41 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.7 | 175.9 | -165.2 | 171.1 | -173.8 | -175.7 | -3 | 110.9 | P281 C301 N302 I303 | R241-P281 PolarHBondContact NE-O 3.08Å; R241-P281 PolarHBondContact NH2-O 2.73Å; R241-P281 VanDerWaalsContact NH2-O 3.08Å; R241-C301 PolarHBondContact N-O 3.46Å; R241-N302 WeakPolarHBondContact O-CA 3.48Å; R241-I303 PolarHBondContact O-N 3.43Å |
| 242 | L | 91.4 | Very high | 83.1 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.3 | 173.4 | -66.8 | 174.2 | 0 | 0 | 0 | 110.4 | L235 F254 P282 L283 I303 V305 | L235-L242 HydrophobicContact CD1-CD1 3.93Å; L235-L242 HydrophobicContact CD1-CD2 3.89Å; L235-L242 HydrophobicContact CD1-CG 3.77Å; L235-L242 HydrophobicContact CD2-CD2 4.13Å; L235-L242 HydrophobicContact CD2-CG 3.78Å; L235-L242 HydrophobicContact CG-CG 4.44Å; L242-F254 HydrophobicContact CD1-CE1 4.04Å; L242-F254 HydrophobicContact CD1-CE2 4.15Å; L242-F254 HydrophobicContact CD1-CZ 3.36Å; L242-P282 HydrophobicContact CB-CB 4.03Å; L242-P282 HydrophobicContact CB-CG 4.26Å; L242-P282 HydrophobicContact CD1-CG 4.49Å; L242-P282 CarbonylContact O-C 3.58Å; L242-P282 VanDerWaalsContact O-CA 3.29Å; L242-P282 WeakPolarHBondContact O-CA 3.41Å; L242-L283 PolarHBondContact O-N 3.26Å; L242-I303 CarbonylContact C-O 3.54Å; L242-I303 WeakPolarHBondContact CA-O 3.35Å; L242-I303 HydrophobicContact CD2-CB 4.12Å; L242-I303 HydrophobicContact CD2-CG2 4.15Å; L242-V305 HydrophobicContact CD2-CG2 3.92Å |
| 243 | V | 92.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.8 | 173.7 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | L283 V285 L291 L294 N302 I303 V305 | V243-L283 CarbonylContact C-O 3.51Å; V243-L283 WeakPolarHBondContact CA-O 3.35Å; V243-L283 HydrophobicContact CG1-CD2 4.49Å; V243-L283 HydrophobicContact CG2-CB 4.28Å; V243-V285 HydrophobicContact CG1-CB 4.5Å; V243-V285 HydrophobicContact CG1-CG1 3.85Å; V243-V285 HydrophobicContact CG1-CG2 3.78Å; V243-L291 HydrophobicContact CG1-CG 4.15Å; V243-L294 HydrophobicContact CG1-CD1 4.13Å; V243-N302 HydrophobicContact CG2-CB 3.84Å; V243-I303 PolarHBondContact N-O 3.12Å; V243-V305 PolarHBondContact O-N 3.02Å |
| 244 | L | 89.5 | Confident | 81.5 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 146.4 | -177.1 | -71.8 | 159.4 | 0 | 0 | 0 | 110.2 | F254 P282 L283 I284 V285 V305 | L244-F254 HydrophobicContact CD1-CD1 3.99Å; L244-F254 HydrophobicContact CD1-CE1 4.34Å; L244-F254 HydrophobicContact CD2-CB 4.02Å; L244-F254 HydrophobicContact CD2-CD1 4.13Å; L244-F254 HydrophobicContact CD2-CD2 4.38Å; L244-F254 HydrophobicContact CD2-CG 3.89Å; L244-P282 HydrophobicContact CD1-CB 3.45Å; L244-P282 VanDerWaalsContact CD1-CB 3.45Å; L244-P282 HydrophobicContact CD1-CG 3.64Å; L244-P282 HydrophobicContact CG-CB 4.18Å; L244-L283 PolarHBondContact N-O 3.05Å; L244-I284 HydrophobicContact CB-CD1 3.85Å; L244-I284 HydrophobicContact CD1-CD1 4.14Å; L244-I284 WeakPolarHBondContact O-CA 3.25Å; L244-V285 PolarHBondContact O-N 3.13Å; L244-V305 HydrophobicContact CD2-CB 3.71Å; L244-V305 HydrophobicContact CD2-CG1 4.06Å; L244-V305 HydrophobicContact CD2-CG2 4.28Å |
| 245 | L | 86.4 | Confident | 80.8 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.6 | 170.1 | -67.9 | 166.2 | 0 | 0 | 0 | 111 | S247 H248 S249 V285 T287 V288 L291 | L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 3.46Å; L245-H248 HydrophobicContact CB-CB 4.19Å; L245-H248 CarbonylContact O-C 3.48Å; L245-H248 PolarHBondContact O-N 2.79Å; L245-S249 WeakPolarHBondContact O-CB 3.33Å; L245-S249 PolarHBondContact O-N 3.31Å; L245-V285 CarbonylContact C-O 3.6Å; L245-V285 WeakPolarHBondContact CA-O 2.96Å; L245-V285 HydrophobicContact CD2-CG2 4.31Å; L245-T287 VanDerWaalsContact CD2-C 3.42Å; L245-V288 HydrophobicContact CD1-CG1 3.82Å; L245-V288 HydrophobicContact CD2-CG1 4.09Å; L245-L291 HydrophobicContact CD2-CB 4.33Å; L245-L291 HydrophobicContact CD2-CD1 4.15Å; L245-L291 HydrophobicContact CG-CD1 3.83Å |
| 246 | A | 83.9 | Confident | 80 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 17% | 0.174 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H248 S249 I284 V285 | A246-H248 PolarHBondContact O-N 2.68Å; A246-S249 PolarHBondContact O-N 3.38Å; A246-S249 PolarHBondContact O-OG 3.08Å; A246-I284 VanDerWaalsContact CA-CG2 3.43Å; A246-I284 HydrophobicContact CB-CG2 3.68Å; A246-V285 WeakPolarHBondContact CB-O 3.4Å; A246-V285 PolarHBondContact N-O 3.3Å |
| 247 | S | 76.3 | Confident | 79.2 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -53.9 | -42.9 | 172.4 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | Y80 L245 | Y80-S247 VanDerWaalsContact CD2-O 3.3Å; Y80-S247 WeakPolarHBondContact CD2-O 3.27Å; L245-S247 VanDerWaalsContact C-N 3.27Å; L245-S247 PolarHBondContact O-N 3.46Å |
| 248 | H | 74.5 | Confident | 78.3 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -87 | -21.9 | -174.5 | -67.4 | -163.1 | 0 | 0 | 0 | 113 | Y80 L245 A246 Q250 Y251 F253 D306 F307 | Y80-H248 AromaticContact CE2-CD2 3.86Å; L245-H248 HydrophobicContact CB-CB 4.19Å; L245-H248 CarbonylContact O-C 3.48Å; L245-H248 PolarHBondContact O-N 2.79Å; A246-H248 PolarHBondContact O-N 2.68Å; H248-Q250 PolarHBondContact O-N 2.98Å; H248-Y251 CarbonylContact O-C 3.47Å; H248-Y251 VanDerWaalsContact O-O 3.09Å; H248-F253 HydrophobicContact CB-CE1 3.68Å; H248-F253 HydrophobicContact CB-CZ 4.22Å; H248-F253 AromaticContact CG-CE1 3.8Å; H248-F253 AromaticContact ND1-CE1 3.69Å; H248-F253 AromaticContact ND1-CZ 3.74Å; H248-D306 IonicContact CE1-OD1 2.82Å; H248-D306 PolarHBondContact CE1-OD1 3.4Å; H248-D306 VanDerWaalsContact CE1-OD1 3.31Å; H248-D306 IonicContact ND1-OD1 3.5Å; H248-F307 AromaticContact CE1-CD2 3.64Å; H248-F307 AromaticContact CE1-CE2 3.4Å; H248-F307 WeakPolarHBondContact CE1-CE2 3.49Å; H248-F307 AromaticContact ND1-CE2 3.76Å |
| 249 | S | 66.2 | Low | 77.6 | Confident | 36 Ų | 36 | 33.6 Ų | 33.6 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.6 | -25.3 | -175.3 | 72 | 0 | 0 | 0 | 0 | 114.1 | L245 A246 | L245-S249 WeakPolarHBondContact O-CB 3.33Å; L245-S249 PolarHBondContact O-N 3.31Å; A246-S249 PolarHBondContact O-N 3.38Å; A246-S249 PolarHBondContact O-OG 3.08Å |
| 250 | Q | 62.6 | Low | 77 | Confident | 88 Ų | 88 | 32.3 Ų | 32.3 | 41% | 0.411 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -86.2 | -33.2 | -172.9 | -65.6 | -178.4 | -1 | 0 | 0 | 112.6 | I81 H248 | I81-Q250 HydrophobicContact CD1-CB 3.95Å; I81-Q250 HydrophobicContact CD1-CG 4.27Å; I81-Q250 HydrophobicContact CG1-CB 4.25Å; I81-Q250 VanDerWaalsContact CG1-OE1 3.23Å; H248-Q250 PolarHBondContact O-N 2.98Å |
| 251 | Y | 57.5 | Low | 75.8 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 14% | 0.137 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -109.8 | 77.1 | 171.4 | -70.5 | -83 | 0 | 0 | 0 | 107 | Y80 I81 R84 W99 A105 H248 F253 | Y80-Y251 HydrophobicContact CG-CD2 4.43Å; I81-Y251 HydrophobicContact CB-CE2 4.27Å; I81-Y251 HydrophobicContact CG1-CD2 4.34Å; I81-Y251 HydrophobicContact CG1-CE2 3.39Å; R84-Y251 VanDerWaalsContact CD-OH 3.31Å; R84-Y251 WeakPolarHBondContact CD-OH 3.47Å; W99-Y251 HydrophobicContact CH2-CD2 4.31Å; W99-Y251 HydrophobicContact CH2-CE1 4.44Å; W99-Y251 AromaticContact CH2-CE2 3.75Å; W99-Y251 HydrophobicContact CH2-CE2 3.75Å; W99-Y251 AromaticContact CH2-CZ 3.83Å; W99-Y251 HydrophobicContact CZ3-CD1 4.03Å; W99-Y251 AromaticContact CZ3-CD2 3.88Å; W99-Y251 HydrophobicContact CZ3-CD2 3.88Å; W99-Y251 AromaticContact CZ3-CE1 3.88Å; W99-Y251 HydrophobicContact CZ3-CE1 3.88Å; W99-Y251 AromaticContact CZ3-CE2 3.7Å; W99-Y251 HydrophobicContact CZ3-CE2 3.7Å; W99-Y251 HydrophobicContact CZ3-CG 4.03Å; W99-Y251 AromaticContact CZ3-CZ 3.69Å; A105-Y251 HydrophobicContact CB-CD1 4.47Å; A105-Y251 HydrophobicContact CB-CE1 4.47Å; H248-Y251 CarbonylContact O-C 3.47Å; H248-Y251 VanDerWaalsContact O-O 3.09Å; Y251-F253 WeakPolarHBondContact O-CD1 3.42Å; Y251-F253 PolarHBondContact O-N 2.9Å |
| 252 | S | 61.5 | Low | 74.4 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | trans | -80.2 | 73.4 | -164.7 | -164.3 | 0 | 0 | 0 | 0 | 110.3 | F254 Y255 R256 | S252-F254 PolarHBondContact O-N 3.29Å; S252-Y255 CarbonylContact O-C 3.59Å; S252-Y255 WeakPolarHBondContact O-CA 3.47Å; S252-Y255 WeakPolarHBondContact O-CB 3.37Å; S252-Y255 PolarHBondContact O-N 3.44Å; S252-Y255 WeakPolarHBondContact OG-CA 3.17Å; S252-Y255 WeakPolarHBondContact OG-CB 3.2Å; S252-Y255 PolarHBondContact OG-N 3.32Å; S252-R256 PolarHBondContact O-N 2.69Å | ||
| 253 | F | 70.8 | Confident | 72.8 | Confident | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.022 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -48.5 | -36.4 | 159.7 | 67.2 | -93.1 | 0 | 0 | 0 | 109.3 | E102 I120 H248 Y251 R256 S257 F307 | E102-F253 VanDerWaalsContact OE1-CB 3.26Å; E102-F253 WeakPolarHBondContact OE1-CB 3.28Å; I120-F253 HydrophobicContact CD1-CD2 3.66Å; I120-F253 HydrophobicContact CD1-CE2 4.03Å; I120-F253 HydrophobicContact CG1-CD2 3.82Å; I120-F253 HydrophobicContact CG1-CE2 3.9Å; H248-F253 HydrophobicContact CB-CE1 3.68Å; H248-F253 HydrophobicContact CB-CZ 4.22Å; H248-F253 AromaticContact CG-CE1 3.8Å; H248-F253 AromaticContact ND1-CE1 3.69Å; H248-F253 AromaticContact ND1-CZ 3.74Å; Y251-F253 WeakPolarHBondContact O-CD1 3.42Å; Y251-F253 PolarHBondContact O-N 2.9Å; F253-R256 PolarHBondContact O-N 3.02Å; F253-S257 WeakPolarHBondContact O-CB 3.45Å; F253-S257 PolarHBondContact O-N 2.95Å; F253-S257 PolarHBondContact O-OG 3.38Å; F253-F307 HydrophobicContact CD1-CE1 4.25Å; F253-F307 AromaticContact CD1-CZ 3.82Å; F253-F307 HydrophobicContact CD1-CZ 3.82Å; F253-F307 AromaticContact CD2-CE1 3.8Å; F253-F307 HydrophobicContact CD2-CE1 3.8Å; F253-F307 HydrophobicContact CD2-CZ 4.21Å; F253-F307 AromaticContact CE1-CE1 3.94Å; F253-F307 HydrophobicContact CE1-CE1 3.94Å; F253-F307 HydrophobicContact CE1-CE2 4.07Å; F253-F307 AromaticContact CE1-CZ 3.4Å; F253-F307 HydrophobicContact CE1-CZ 3.4Å; F253-F307 VanDerWaalsContact CE1-CZ 3.4Å; F253-F307 HydrophobicContact CE2-CD1 4.18Å; F253-F307 AromaticContact CE2-CE1 3.51Å; F253-F307 HydrophobicContact CE2-CE1 3.51Å; F253-F307 AromaticContact CE2-CZ 3.89Å; F253-F307 HydrophobicContact CE2-CZ 3.89Å; F253-F307 HydrophobicContact CG-CE1 4.19Å; F253-F307 HydrophobicContact CG-CZ 4.2Å; F253-F307 HydrophobicContact CZ-CD1 4.3Å; F253-F307 AromaticContact CZ-CE1 3.58Å; F253-F307 HydrophobicContact CZ-CE1 3.58Å; F253-F307 HydrophobicContact CZ-CE2 4.09Å; F253-F307 AromaticContact CZ-CZ 3.46Å; F253-F307 HydrophobicContact CZ-CZ 3.46Å; F253-F307 VanDerWaalsContact CZ-CZ 3.46Å |
| 254 | F | 72.5 | Confident | 70.8 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -50.9 | 170.1 | 170.1 | -98.4 | 0 | 0 | 0 | 111.9 | L242 L244 S252 R256 S257 L258 I259 V305 | L242-F254 HydrophobicContact CD1-CE1 4.04Å; L242-F254 HydrophobicContact CD1-CE2 4.15Å; L242-F254 HydrophobicContact CD1-CZ 3.36Å; L244-F254 HydrophobicContact CD1-CD1 3.99Å; L244-F254 HydrophobicContact CD1-CE1 4.34Å; L244-F254 HydrophobicContact CD2-CB 4.02Å; L244-F254 HydrophobicContact CD2-CD1 4.13Å; L244-F254 HydrophobicContact CD2-CD2 4.38Å; L244-F254 HydrophobicContact CD2-CG 3.89Å; S252-F254 PolarHBondContact O-N 3.29Å; F254-R256 VanDerWaalsContact C-N 3.31Å; F254-R256 PolarHBondContact O-N 2.98Å; F254-S257 PolarHBondContact O-N 3.15Å; F254-L258 HydrophobicContact CD2-CB 3.98Å; F254-L258 HydrophobicContact CD2-CD1 3.43Å; F254-L258 VanDerWaalsContact CD2-CD1 3.43Å; F254-L258 HydrophobicContact CD2-CG 4.3Å; F254-L258 HydrophobicContact CE2-CB 3.73Å; F254-L258 HydrophobicContact CE2-CD1 3.52Å; F254-L258 HydrophobicContact CE2-CG 4.13Å; F254-L258 HydrophobicContact CZ-CB 4.22Å; F254-L258 WeakPolarHBondContact O-CA 3.31Å; F254-L258 WeakPolarHBondContact O-CB 3.27Å; F254-L258 PolarHBondContact O-N 2.82Å; F254-I259 HydrophobicContact CD1-CG1 4.22Å; F254-I259 HydrophobicContact CE1-CD1 3.74Å; F254-I259 HydrophobicContact CE1-CG1 3.6Å; F254-I259 HydrophobicContact CZ-CD1 3.71Å; F254-I259 HydrophobicContact CZ-CG1 4.02Å; F254-I259 PolarHBondContact O-N 3.17Å; F254-V305 HydrophobicContact CB-CG1 4.42Å; F254-V305 HydrophobicContact CD2-CB 4.25Å; F254-V305 HydrophobicContact CD2-CG1 3.42Å; F254-V305 VanDerWaalsContact CD2-CG1 3.42Å; F254-V305 HydrophobicContact CD2-CG2 4.11Å; F254-V305 HydrophobicContact CE2-CG1 4.05Å; F254-V305 HydrophobicContact CE2-CG2 3.92Å; F254-V305 HydrophobicContact CG-CG1 4.19Å |
| 255 | Y | 75.3 | Confident | 68.9 | Low | 75 Ų | 75 | 48.8 Ų | 48.8 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -62.5 | -40.7 | 177.7 | -174.5 | -97 | 0 | 0 | 0 | 111.1 | S252 I259 R260 H277 | S252-Y255 CarbonylContact O-C 3.59Å; S252-Y255 WeakPolarHBondContact O-CA 3.47Å; S252-Y255 WeakPolarHBondContact O-CB 3.37Å; S252-Y255 PolarHBondContact O-N 3.44Å; S252-Y255 WeakPolarHBondContact OG-CA 3.17Å; S252-Y255 WeakPolarHBondContact OG-CB 3.2Å; S252-Y255 PolarHBondContact OG-N 3.32Å; Y255-I259 HydrophobicContact CD2-CB 3.67Å; Y255-I259 HydrophobicContact CD2-CG1 3.96Å; Y255-I259 HydrophobicContact CD2-CG2 3.7Å; Y255-I259 HydrophobicContact CE2-CB 4.1Å; Y255-I259 HydrophobicContact CE2-CG2 3.61Å; Y255-I259 HydrophobicContact CG-CB 4.1Å; Y255-I259 CarbonylContact O-C 2.88Å; Y255-I259 WeakPolarHBondContact O-CA 3.48Å; Y255-I259 VanDerWaalsContact O-CB 3.25Å; Y255-I259 WeakPolarHBondContact O-CB 3.28Å; Y255-I259 PolarHBondContact O-N 3.41Å; Y255-I259 VanDerWaalsContact O-N 3.11Å; Y255-R260 HydrophobicContact CD1-CB 4.48Å; Y255-R260 HydrophobicContact CE1-CB 4.16Å; Y255-R260 HydrophobicContact CE1-CG 3.99Å; Y255-R260 PolarHBondContact O-N 2.97Å; Y255-R260 WeakPolarHBondContact OH-CD 3.42Å; Y255-R260 PolarHBondContact OH-NE 3.08Å; Y255-H277 AromaticContact CD2-NE2 3.9Å |
| 256 | R | 74.4 | Confident | 67.7 | Low | 88 Ų | 88 | 52.2 Ų | 52.2 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -68.1 | -48.5 | 177.2 | -172.9 | 178.2 | 175 | -161.1 | -4 | 111.5 | S252 F253 F254 R260 P261 | S252-R256 PolarHBondContact O-N 2.69Å; F253-R256 PolarHBondContact O-N 3.02Å; F254-R256 VanDerWaalsContact C-N 3.31Å; F254-R256 PolarHBondContact O-N 2.98Å; R256-R260 CarbonylContact O-C 3.41Å; R256-P261 WeakPolarHBondContact O-CA 3.24Å |
| 257 | S | 73.1 | Confident | 67 | Low | 20 Ų | 20 | 53.7 Ų | 53.7 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -83.5 | -35.4 | -170.1 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | I120 F253 F254 L330 E333 | I120-S257 VanDerWaalsContact CD1-CB 3.46Å; F253-S257 WeakPolarHBondContact O-CB 3.45Å; F253-S257 PolarHBondContact O-N 2.95Å; F253-S257 PolarHBondContact O-OG 3.38Å; F254-S257 PolarHBondContact O-N 3.15Å; S257-L330 WeakPolarHBondContact O-CD2 3.5Å; S257-E333 PolarHBondContact OG-OE1 3.3Å |
| 258 | L | 73.7 | Confident | 66.7 | Low | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -101.6 | -38 | -178.9 | -85.1 | 139.2 | 0 | 0 | 0 | 114.2 | I120 F254 F273 L326 L330 | I120-L258 HydrophobicContact CB-CD1 4.38Å; I120-L258 HydrophobicContact CD1-CD1 3.84Å; I120-L258 HydrophobicContact CG2-CD1 3.71Å; F254-L258 HydrophobicContact CD2-CB 3.98Å; F254-L258 HydrophobicContact CD2-CD1 3.43Å; F254-L258 VanDerWaalsContact CD2-CD1 3.43Å; F254-L258 HydrophobicContact CD2-CG 4.3Å; F254-L258 HydrophobicContact CE2-CB 3.73Å; F254-L258 HydrophobicContact CE2-CD1 3.52Å; F254-L258 HydrophobicContact CE2-CG 4.13Å; F254-L258 HydrophobicContact CZ-CB 4.22Å; F254-L258 WeakPolarHBondContact O-CA 3.31Å; F254-L258 WeakPolarHBondContact O-CB 3.27Å; F254-L258 PolarHBondContact O-N 2.82Å; L258-F273 HydrophobicContact CD2-CE1 4.39Å; L258-L326 HydrophobicContact CD1-CD1 4.03Å; L258-L326 HydrophobicContact CD2-CD1 3.96Å; L258-L326 HydrophobicContact CG-CD1 4.44Å; L258-L330 HydrophobicContact CD1-CD1 3.99Å; L258-L330 HydrophobicContact CD2-CD1 4.24Å; L258-L330 HydrophobicContact CG-CD1 3.79Å |
| 259 | I | 76.6 | Confident | 66.8 | Low | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -91.6 | -50.6 | -174.2 | -50.7 | -57.8 | 0 | 0 | 0 | 111.2 | F254 Y255 F273 R274 H277 | F254-I259 HydrophobicContact CD1-CG1 4.22Å; F254-I259 HydrophobicContact CE1-CD1 3.74Å; F254-I259 HydrophobicContact CE1-CG1 3.6Å; F254-I259 HydrophobicContact CZ-CD1 3.71Å; F254-I259 HydrophobicContact CZ-CG1 4.02Å; F254-I259 PolarHBondContact O-N 3.17Å; Y255-I259 HydrophobicContact CD2-CB 3.67Å; Y255-I259 HydrophobicContact CD2-CG1 3.96Å; Y255-I259 HydrophobicContact CD2-CG2 3.7Å; Y255-I259 HydrophobicContact CE2-CB 4.1Å; Y255-I259 HydrophobicContact CE2-CG2 3.61Å; Y255-I259 HydrophobicContact CG-CB 4.1Å; Y255-I259 CarbonylContact O-C 2.88Å; Y255-I259 WeakPolarHBondContact O-CA 3.48Å; Y255-I259 VanDerWaalsContact O-CB 3.25Å; Y255-I259 WeakPolarHBondContact O-CB 3.28Å; Y255-I259 PolarHBondContact O-N 3.41Å; Y255-I259 VanDerWaalsContact O-N 3.11Å; I259-F273 HydrophobicContact CD1-CB 3.92Å; I259-F273 HydrophobicContact CD1-CD1 4.09Å; I259-R274 HydrophobicContact CG2-CB 4.37Å; I259-R274 HydrophobicContact CG2-CG 3.73Å; I259-R274 WeakPolarHBondContact O-CD 3.49Å; I259-R274 WeakPolarHBondContact O-CG 3.36Å; I259-R274 PolarHBondContact O-NE 2.85Å; I259-H277 HydrophobicContact CD1-CB 4.1Å; I259-H277 HydrophobicContact CG2-CB 4.39Å |
| 260 | R | 75.3 | Confident | 67.5 | Low | 144 Ų | 144 | 57.7 Ų | 57.7 | 54% | 0.543 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -132.9 | 70.2 | -176.9 | -71.2 | -164.4 | -178 | 176.3 | 2.9 | 111.8 | Y255 R256 A262 | Y255-R260 HydrophobicContact CD1-CB 4.48Å; Y255-R260 HydrophobicContact CE1-CB 4.16Å; Y255-R260 HydrophobicContact CE1-CG 3.99Å; Y255-R260 PolarHBondContact O-N 2.97Å; Y255-R260 WeakPolarHBondContact OH-CD 3.42Å; Y255-R260 PolarHBondContact OH-NE 3.08Å; R256-R260 CarbonylContact O-C 3.41Å; R260-A262 PolarHBondContact O-N 3.05Å |
| 261 | P | 67.6 | Low | 68.3 | Low | 28 Ų | 28 | 56.3 Ų | 56.3 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -55.8 | 131.1 | 175.4 | 19.3 | -29.8 | 0 | 0 | 0 | 110.8 | R256 V263 T270 | R256-P261 WeakPolarHBondContact O-CA 3.24Å; P261-V263 PolarHBondContact O-N 3.23Å; P261-T270 HydrophobicContact CG-CG2 3.77Å | ||
| 262 | A | 61.9 | Low | 69.6 | Low | 75 Ų | 75 | 56.4 Ų | 56.4 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -70 | -19.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R260 | R260-A262 PolarHBondContact O-N 3.05Š|
| 263 | V | 57.9 | Low | 70.8 | Confident | 96 Ų | 96 | 55 Ų | 55 | 58% | 0.582 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -110.6 | 114 | -179.2 | -166.4 | 0 | 0 | 0 | 0 | 108.8 | P261 | P261-V263 PolarHBondContact O-N 3.23Š|
| 264 | E | 48.7 | Very low | 71.5 | Confident | 146 Ų | 146 | 58.4 Ų | 58.4 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -77.5 | 143 | 168.2 | -74.2 | -171.3 | 166.1 | 0 | 0 | 109.8 | L266 | E264-L266 HydrophobicContact CG-CG 4.37Š|
| 265 | P | 51 | Low | 72.1 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | S | Bend | cis | -83 | 140.3 | 29.3 | 30.6 | -33.4 | 0 | 0 | 0 | 113.6 | L267 | P265-L267 PolarHBondContact O-N 3.37Š|
| 266 | L | 60.4 | Low | 72.6 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | trans | -49.6 | 104.3 | 163.7 | -81 | 146.8 | 0 | 0 | 0 | 109.1 | E264 T270 | E264-L266 HydrophobicContact CG-CG 4.37Å; L266-T270 WeakPolarHBondContact CD2-OG1 3.07Å | ||
| 267 | L | 68.3 | Low | 73.2 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | trans | -57.3 | 136.9 | 173.1 | -66.2 | 165.9 | 0 | 0 | 0 | 108.3 | P265 W269 T270 L330 | P265-L267 PolarHBondContact O-N 3.37Å; L267-W269 HydrophobicContact CB-CD2 4.05Å; L267-W269 HydrophobicContact CB-CE3 4.14Å; L267-W269 HydrophobicContact CB-CH2 3.48Å; L267-W269 VanDerWaalsContact CB-CH2 3.48Å; L267-W269 HydrophobicContact CB-CZ2 3.38Å; L267-W269 HydrophobicContact CB-CZ3 3.87Å; L267-W269 HydrophobicContact CD1-CH2 3.71Å; L267-W269 HydrophobicContact CD1-CZ2 3.33Å; L267-W269 HydrophobicContact CD2-CH2 3.7Å; L267-W269 HydrophobicContact CD2-CZ2 4.19Å; L267-W269 HydrophobicContact CD2-CZ3 4.35Å; L267-W269 HydrophobicContact CG-CH2 3.8Å; L267-W269 HydrophobicContact CG-CZ2 3.78Å; L267-W269 PolarHBondContact O-N 3.33Å; L267-T270 HydrophobicContact CB-CG2 3.89Å; L267-T270 WeakPolarHBondContact O-CB 3.42Å; L267-T270 WeakPolarHBondContact O-CG2 3.44Å; L267-T270 PolarHBondContact O-N 3.08Å; L267-T270 PolarHBondContact O-OG1 3.41Å; L267-L330 HydrophobicContact CD1-CD2 4.39Å | ||
| 268 | P | 70.9 | Confident | 73.9 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 70% | 0.695 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.5 | -163.1 | -1.8 | -8.5 | 0 | 0 | 0 | 115.3 | ||
| 269 | W | 77.6 | Confident | 74.7 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 13% | 0.125 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -21.2 | 178.4 | 59.2 | 89.5 | 0 | 0 | 0 | 113.8 | L228 A229 L267 A271 I272 F273 V329 | L228-W269 HydrophobicContact CB-CB 4.04Å; L228-W269 HydrophobicContact CB-CD2 4Å; L228-W269 HydrophobicContact CB-CG 3.76Å; L228-W269 HydrophobicContact CD1-CD2 4Å; L228-W269 HydrophobicContact CD1-CG 4.33Å; L228-W269 HydrophobicContact CD1-CZ2 3.91Å; A229-W269 HydrophobicContact CB-CB 4.39Å; L267-W269 HydrophobicContact CB-CD2 4.05Å; L267-W269 HydrophobicContact CB-CE3 4.14Å; L267-W269 HydrophobicContact CB-CH2 3.48Å; L267-W269 VanDerWaalsContact CB-CH2 3.48Å; L267-W269 HydrophobicContact CB-CZ2 3.38Å; L267-W269 HydrophobicContact CB-CZ3 3.87Å; L267-W269 HydrophobicContact CD1-CH2 3.71Å; L267-W269 HydrophobicContact CD1-CZ2 3.33Å; L267-W269 HydrophobicContact CD2-CH2 3.7Å; L267-W269 HydrophobicContact CD2-CZ2 4.19Å; L267-W269 HydrophobicContact CD2-CZ3 4.35Å; L267-W269 HydrophobicContact CG-CH2 3.8Å; L267-W269 HydrophobicContact CG-CZ2 3.78Å; L267-W269 PolarHBondContact O-N 3.33Å; W269-A271 VanDerWaalsContact C-N 3.28Å; W269-A271 PolarHBondContact O-N 3.02Å; W269-I272 PolarHBondContact O-N 2.98Å; W269-F273 HydrophobicContact CB-CD2 4.13Å; W269-F273 HydrophobicContact CB-CE2 4.25Å; W269-F273 AromaticContact CD1-CD2 3.91Å; W269-F273 HydrophobicContact CG-CD2 4.43Å; W269-F273 HydrophobicContact CG-CE2 4.47Å; W269-F273 WeakPolarHBondContact O-CD2 3.07Å; W269-F273 PolarHBondContact O-N 3.12Å; W269-V329 HydrophobicContact CH2-CG1 3.01Å; W269-V329 HydrophobicContact CZ2-CB 4.48Å; W269-V329 HydrophobicContact CZ2-CG1 3.14Å; W269-V329 HydrophobicContact CZ3-CG1 4.1Å |
| 270 | T | 79.3 | Confident | 75.4 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.1 | -36 | -172.9 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | P261 L266 L267 F273 R274 | P261-T270 HydrophobicContact CG-CG2 3.77Å; L266-T270 WeakPolarHBondContact CD2-OG1 3.07Å; L267-T270 HydrophobicContact CB-CG2 3.89Å; L267-T270 WeakPolarHBondContact O-CB 3.42Å; L267-T270 WeakPolarHBondContact O-CG2 3.44Å; L267-T270 PolarHBondContact O-N 3.08Å; L267-T270 PolarHBondContact O-OG1 3.41Å; T270-F273 PolarHBondContact O-N 3.45Å; T270-R274 VanDerWaalsContact O-CG 3.28Å; T270-R274 WeakPolarHBondContact O-CG 3.33Å; T270-R274 PolarHBondContact O-N 3.09Å |
| 271 | A | 80.9 | Confident | 76 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 49% | 0.488 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W269 R274 Q275 | W269-A271 VanDerWaalsContact C-N 3.28Å; W269-A271 PolarHBondContact O-N 3.02Å; A271-R274 PolarHBondContact O-N 2.85Å; A271-Q275 PolarHBondContact O-N 2.71Å |
| 272 | I | 84.8 | Confident | 77.1 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 19% | 0.185 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 178.5 | -57.5 | 174.4 | 0 | 0 | 0 | 109.7 | G232 W269 R274 Q275 A276 | G232-I272 WeakPolarHBondContact O-CG2 3.37Å; W269-I272 PolarHBondContact O-N 2.98Å; I272-R274 PolarHBondContact O-N 2.91Å; I272-Q275 PolarHBondContact O-N 3.37Å; I272-A276 WeakPolarHBondContact O-CB 3.21Å; I272-A276 PolarHBondContact O-N 3.15Å |
| 273 | F | 85.9 | Confident | 78.5 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.5 | -91.7 | -99.7 | 0 | 0 | 0 | 112.8 | L228 L231 L235 L258 I259 W269 T270 Q275 A276 H277 | L228-F273 HydrophobicContact CB-CE2 4.29Å; L228-F273 HydrophobicContact CD2-CZ 4.41Å; L228-F273 WeakPolarHBondContact O-CE2 3.39Å; L231-F273 HydrophobicContact CB-CZ 4.38Å; L231-F273 HydrophobicContact CD2-CZ 4.01Å; L231-F273 HydrophobicContact CG-CZ 4.06Å; L235-F273 HydrophobicContact CD1-CD1 4.15Å; L235-F273 HydrophobicContact CD1-CE1 3.68Å; L235-F273 HydrophobicContact CD1-CZ 4.17Å; L258-F273 HydrophobicContact CD2-CE1 4.39Å; I259-F273 HydrophobicContact CD1-CB 3.92Å; I259-F273 HydrophobicContact CD1-CD1 4.09Å; W269-F273 HydrophobicContact CB-CD2 4.13Å; W269-F273 HydrophobicContact CB-CE2 4.25Å; W269-F273 AromaticContact CD1-CD2 3.91Å; W269-F273 HydrophobicContact CG-CD2 4.43Å; W269-F273 HydrophobicContact CG-CE2 4.47Å; W269-F273 WeakPolarHBondContact O-CD2 3.07Å; W269-F273 PolarHBondContact O-N 3.12Å; T270-F273 PolarHBondContact O-N 3.45Å; F273-Q275 VanDerWaalsContact C-N 3.32Å; F273-Q275 PolarHBondContact O-N 3.43Å; F273-A276 PolarHBondContact O-N 3.21Å; F273-H277 VanDerWaalsContact O-CB 3.28Å; F273-H277 WeakPolarHBondContact O-CB 3.23Å; F273-H277 PolarHBondContact O-N 2.96Å |
| 274 | R | 84.7 | Confident | 80.1 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 173.7 | -74 | 171.2 | -169 | -174.2 | 2.1 | 111.9 | I259 T270 A271 I272 V278 | I259-R274 HydrophobicContact CG2-CB 4.37Å; I259-R274 HydrophobicContact CG2-CG 3.73Å; I259-R274 WeakPolarHBondContact O-CD 3.49Å; I259-R274 WeakPolarHBondContact O-CG 3.36Å; I259-R274 PolarHBondContact O-NE 2.85Å; T270-R274 VanDerWaalsContact O-CG 3.28Å; T270-R274 WeakPolarHBondContact O-CG 3.33Å; T270-R274 PolarHBondContact O-N 3.09Å; A271-R274 PolarHBondContact O-N 2.85Å; I272-R274 PolarHBondContact O-N 2.91Å; R274-V278 PolarHBondContact O-N 3.11Å |
| 275 | Q | 85.7 | Confident | 82.1 | Confident | 114 Ų | 114 | 54.7 Ų | 54.7 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 179.9 | -164.7 | 179.4 | -2.4 | 0 | 0 | 111.1 | L236 A271 I272 F273 H277 V278 V279 | L236-Q275 HydrophobicContact CD1-CB 4Å; L236-Q275 HydrophobicContact CD1-CG 3.63Å; A271-Q275 PolarHBondContact O-N 2.71Å; I272-Q275 PolarHBondContact O-N 3.37Å; F273-Q275 VanDerWaalsContact C-N 3.32Å; F273-Q275 PolarHBondContact O-N 3.43Å; Q275-H277 VanDerWaalsContact C-N 3.32Å; Q275-H277 PolarHBondContact O-N 3.13Å; Q275-V278 PolarHBondContact O-N 3.22Å; Q275-V279 WeakPolarHBondContact O-CG2 3.47Å; Q275-V279 PolarHBondContact O-N 2.85Å |
| 276 | A | 86.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L235 L236 I272 F273 V278 V279 N280 | L235-A276 HydrophobicContact CB-CB 3.73Å; L236-A276 HydrophobicContact CB-CB 4.08Å; L236-A276 HydrophobicContact CD1-CB 4.46Å; I272-A276 WeakPolarHBondContact O-CB 3.21Å; I272-A276 PolarHBondContact O-N 3.15Å; F273-A276 PolarHBondContact O-N 3.21Å; A276-V278 VanDerWaalsContact C-N 3.27Å; A276-V278 PolarHBondContact O-N 3.1Å; A276-V279 PolarHBondContact O-N 3.48Å; A276-N280 CarbonylContact O-C 3.42Å; A276-N280 WeakPolarHBondContact O-CA 3.34Å; A276-N280 WeakPolarHBondContact O-CB 3.3Å; A276-N280 PolarHBondContact O-N 2.61Å |
| 277 | H | 86.1 | Confident | 84.8 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -33.7 | 178.8 | -173 | 74.9 | 0 | 0 | 0 | 113 | Y255 I259 F273 Q275 P281 P282 | Y255-H277 AromaticContact CD2-NE2 3.9Å; I259-H277 HydrophobicContact CD1-CB 4.1Å; I259-H277 HydrophobicContact CG2-CB 4.39Å; F273-H277 VanDerWaalsContact O-CB 3.28Å; F273-H277 WeakPolarHBondContact O-CB 3.23Å; F273-H277 PolarHBondContact O-N 2.96Å; Q275-H277 VanDerWaalsContact C-N 3.32Å; Q275-H277 PolarHBondContact O-N 3.13Å; H277-P281 WeakPolarHBondContact O-CA 3.45Å; H277-P282 VanDerWaalsContact CE1-CD 3.42Å; H277-P282 WeakPolarHBondContact CE1-CD 3.25Å; H277-P282 WeakPolarHBondContact ND1-CD 3.03Å |
| 278 | V | 87.9 | Confident | 85.6 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 72% | 0.721 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -76.4 | -42.7 | 176 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | R274 Q275 A276 | R274-V278 PolarHBondContact O-N 3.11Å; Q275-V278 PolarHBondContact O-N 3.22Å; A276-V278 VanDerWaalsContact C-N 3.27Å; A276-V278 PolarHBondContact O-N 3.1Å |
| 279 | V | 91.2 | Very high | 86.4 | Confident | 62 Ų | 62 | 49 Ų | 49 | 38% | 0.376 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -78.7 | -31.6 | -174.5 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | L236 K238 Q275 A276 | L236-V279 HydrophobicContact CD1-CB 4.38Å; L236-V279 HydrophobicContact CD1-CG2 4.24Å; K238-V279 WeakPolarHBondContact CE-O 3.48Å; K238-V279 PolarHBondContact NZ-O 3.18Å; Q275-V279 WeakPolarHBondContact O-CG2 3.47Å; Q275-V279 PolarHBondContact O-N 2.85Å; A276-V279 PolarHBondContact O-N 3.48Å |
| 280 | N | 90.7 | Very high | 87 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -138.8 | 75.4 | -174.5 | -170.3 | 20 | 0 | 0 | 0 | 109.9 | L235 K238 C240 A276 | L235-N280 WeakPolarHBondContact O-CB 3.27Å; L235-N280 PolarHBondContact O-ND2 2.83Å; K238-N280 HydrophobicContact CG-CB 4.01Å; C240-N280 PolarHBondContact O-ND2 2.89Å; A276-N280 CarbonylContact O-C 3.42Å; A276-N280 WeakPolarHBondContact O-CA 3.34Å; A276-N280 WeakPolarHBondContact O-CB 3.3Å; A276-N280 PolarHBondContact O-N 2.61Å |
| 281 | P | 88.6 | Confident | 87.7 | Confident | 67 Ų | 67 | 51.3 Ų | 51.3 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 144.6 | -175.2 | 24.7 | -33.5 | 0 | 0 | 0 | 111.4 | R241 H277 | R241-P281 PolarHBondContact NE-O 3.08Å; R241-P281 PolarHBondContact NH2-O 2.73Å; R241-P281 VanDerWaalsContact NH2-O 3.08Å; H277-P281 WeakPolarHBondContact O-CA 3.45Å |
| 282 | P | 89.7 | Confident | 88.1 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 147.4 | 179.4 | -22.8 | 31.9 | 0 | 0 | 0 | 112.3 | L242 L244 H277 I284 | L242-P282 HydrophobicContact CB-CB 4.03Å; L242-P282 HydrophobicContact CB-CG 4.26Å; L242-P282 HydrophobicContact CD1-CG 4.49Å; L242-P282 CarbonylContact O-C 3.58Å; L242-P282 VanDerWaalsContact O-CA 3.29Å; L242-P282 WeakPolarHBondContact O-CA 3.41Å; L244-P282 HydrophobicContact CD1-CB 3.45Å; L244-P282 VanDerWaalsContact CD1-CB 3.45Å; L244-P282 HydrophobicContact CD1-CG 3.64Å; L244-P282 HydrophobicContact CG-CB 4.18Å; H277-P282 VanDerWaalsContact CE1-CD 3.42Å; H277-P282 WeakPolarHBondContact CE1-CD 3.25Å; H277-P282 WeakPolarHBondContact ND1-CD 3.03Å; P282-I284 HydrophobicContact CB-CD1 4.31Å |
| 283 | L | 92.2 | Very high | 88.5 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 27% | 0.272 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 131.7 | 165.7 | -162.5 | 88 | 0 | 0 | 0 | 108.5 | L242 V243 L244 V285 L294 | L242-L283 PolarHBondContact O-N 3.26Å; V243-L283 CarbonylContact C-O 3.51Å; V243-L283 WeakPolarHBondContact CA-O 3.35Å; V243-L283 HydrophobicContact CG1-CD2 4.49Å; V243-L283 HydrophobicContact CG2-CB 4.28Å; L244-L283 PolarHBondContact N-O 3.05Å; L283-V285 HydrophobicContact CD2-CG1 3.86Å; L283-V285 HydrophobicContact CG-CG1 4.45Å; L283-L294 HydrophobicContact CD2-CD1 3.46Å; L283-L294 VanDerWaalsContact CD2-CD1 3.46Å; L283-L294 HydrophobicContact CD2-CD2 4.5Å |
| 284 | I | 90.2 | Very high | 88.8 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 43% | 0.431 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.8 | 177.8 | -51.7 | -52.9 | 0 | 0 | 0 | 108.5 | L244 A246 P282 | L244-I284 HydrophobicContact CB-CD1 3.85Å; L244-I284 HydrophobicContact CD1-CD1 4.14Å; L244-I284 WeakPolarHBondContact O-CA 3.25Å; A246-I284 VanDerWaalsContact CA-CG2 3.43Å; A246-I284 HydrophobicContact CB-CG2 3.68Å; P282-I284 HydrophobicContact CB-CD1 4.31Å |
| 285 | V | 90.8 | Very high | 89.1 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.3 | -177.1 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | V243 L244 L245 A246 L283 Q290 L291 L294 | V243-V285 HydrophobicContact CG1-CB 4.5Å; V243-V285 HydrophobicContact CG1-CG1 3.85Å; V243-V285 HydrophobicContact CG1-CG2 3.78Å; L244-V285 PolarHBondContact O-N 3.13Å; L245-V285 CarbonylContact C-O 3.6Å; L245-V285 WeakPolarHBondContact CA-O 2.96Å; L245-V285 HydrophobicContact CD2-CG2 4.31Å; A246-V285 WeakPolarHBondContact CB-O 3.4Å; A246-V285 PolarHBondContact N-O 3.3Å; L283-V285 HydrophobicContact CD2-CG1 3.86Å; L283-V285 HydrophobicContact CG-CG1 4.45Å; V285-Q290 HydrophobicContact CB-CB 4.2Å; V285-L291 HydrophobicContact CG2-CB 3.88Å; V285-L294 HydrophobicContact CG1-CD1 3.57Å |
| 286 | D | 85 | Confident | 89.2 | Confident | 117 Ų | 117 | 47.4 Ų | 47.4 | 63% | 0.626 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -85.1 | -25.7 | -168.9 | -64.3 | -39 | 0 | 0 | 0 | 113.2 | Q290 | D286-Q290 VanDerWaalsContact N-OE1 3.14Š|
| 287 | T | 83.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 49.5 Ų | 49.5 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | trans | -133.1 | 151.3 | -171.4 | 66.9 | 0 | 0 | 0 | 0 | 112.8 | L245 D289 Q290 L291 | L245-T287 VanDerWaalsContact CD2-C 3.42Å; T287-D289 PolarHBondContact O-N 2.64Å; T287-Q290 PolarHBondContact O-N 2.81Å; T287-Q290 WeakPolarHBondContact OG1-CB 3.46Å; T287-Q290 VanDerWaalsContact OG1-CG 3.27Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.28Å; T287-Q290 PolarHBondContact OG1-N 3.28Å; T287-L291 PolarHBondContact O-N 2.95Å | ||
| 288 | V | 86.2 | Confident | 88.9 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -32.3 | 173.3 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | R34 L245 L291 G292 F313 | R34-V288 HydrophobicContact CB-CG2 4.07Å; L245-V288 HydrophobicContact CD1-CG1 3.82Å; L245-V288 HydrophobicContact CD2-CG1 4.09Å; V288-L291 PolarHBondContact O-N 3.15Å; V288-G292 PolarHBondContact O-N 3.19Å; V288-F313 HydrophobicContact CB-CE1 3.85Å; V288-F313 HydrophobicContact CB-CZ 4.26Å; V288-F313 HydrophobicContact CG2-CE1 3.64Å; V288-F313 HydrophobicContact CG2-CZ 3.52Å |
| 289 | D | 86.8 | Confident | 88.7 | Confident | 54 Ų | 54 | 52 Ų | 52 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.7 | -46 | 177.7 | -62.2 | -16.6 | 0 | 0 | 0 | 110.5 | R34 T287 L291 G292 D293 | R34-D289 IonicContact CZ-OD1 2.68Å; R34-D289 IonicContact CZ-OD2 3.38Å; R34-D289 IonicContact NH1-OD1 3.01Å; R34-D289 PolarHBondContact NH1-OD1 3.12Å; R34-D289 IonicContact NH1-OD2 3.71Å; R34-D289 PolarHBondContact NH1-OD2 3.19Å; R34-D289 VanDerWaalsContact NH2-CG 3.28Å; R34-D289 IonicContact NH2-OD1 3.31Å; R34-D289 PolarHBondContact NH2-OD1 2.91Å; R34-D289 IonicContact NH2-OD2 3.14Å; R34-D289 PolarHBondContact NH2-OD2 3.25Å; T287-D289 PolarHBondContact O-N 2.64Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 3.32Å; D289-G292 PolarHBondContact O-N 3.4Å; D289-D293 VanDerWaalsContact O-CG 3.31Å; D289-D293 PolarHBondContact O-N 3.19Å |
| 290 | Q | 91 | Very high | 88.4 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 174.6 | -74.8 | 172 | -5.1 | 0 | 0 | 112.5 | V285 D286 T287 L294 | V285-Q290 HydrophobicContact CB-CB 4.2Å; D286-Q290 VanDerWaalsContact N-OE1 3.14Å; T287-Q290 PolarHBondContact O-N 2.81Å; T287-Q290 WeakPolarHBondContact OG1-CB 3.46Å; T287-Q290 VanDerWaalsContact OG1-CG 3.27Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.28Å; T287-Q290 PolarHBondContact OG1-N 3.28Å; Q290-L294 WeakPolarHBondContact O-CB 3.48Å; Q290-L294 WeakPolarHBondContact O-CD1 3.4Å; Q290-L294 WeakPolarHBondContact O-CG 3.33Å; Q290-L294 PolarHBondContact O-N 3.17Å; Q290-L294 VanDerWaalsContact O-N 3.12Å |
| 291 | L | 92.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 175.5 | -173.1 | 152.4 | 0 | 0 | 0 | 110.2 | L123 V243 L245 V285 T287 V288 D289 L294 V295 Y314 | L123-L291 HydrophobicContact CD1-CD2 4.31Å; L123-L291 HydrophobicContact CD2-CD2 4.03Å; V243-L291 HydrophobicContact CG1-CG 4.15Å; L245-L291 HydrophobicContact CD2-CB 4.33Å; L245-L291 HydrophobicContact CD2-CD1 4.15Å; L245-L291 HydrophobicContact CG-CD1 3.83Å; V285-L291 HydrophobicContact CG2-CB 3.88Å; T287-L291 PolarHBondContact O-N 2.95Å; V288-L291 PolarHBondContact O-N 3.15Å; D289-L291 VanDerWaalsContact C-N 3.29Å; D289-L291 PolarHBondContact O-N 3.32Å; L291-L294 PolarHBondContact O-N 2.78Å; L291-V295 HydrophobicContact CD2-CG2 4.18Å; L291-V295 VanDerWaalsContact O-CG2 3.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.34Å; L291-V295 PolarHBondContact O-N 2.82Å; L291-V295 VanDerWaalsContact O-N 3.11Å; L291-Y314 HydrophobicContact CD2-CE1 3.8Å |
| 292 | G | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V288 D289 L294 V295 E296 I321 | V288-G292 PolarHBondContact O-N 3.19Å; D289-G292 PolarHBondContact O-N 3.4Å; G292-L294 VanDerWaalsContact C-N 3.28Å; G292-L294 PolarHBondContact O-N 3.15Å; G292-V295 PolarHBondContact O-N 2.95Å; G292-V295 VanDerWaalsContact O-N 3.12Å; G292-E296 WeakPolarHBondContact O-CB 3.17Å; G292-E296 PolarHBondContact O-N 3Å; G292-I321 WeakPolarHBondContact O-CD1 3.45Å |
| 293 | D | 91.5 | Very high | 88.5 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.5 | -40.7 | 179.2 | -72.6 | -22.4 | 0 | 0 | 0 | 112.5 | D289 N297 | D289-D293 VanDerWaalsContact O-CG 3.31Å; D289-D293 PolarHBondContact O-N 3.19Å; D293-N297 PolarHBondContact O-N 3.35Å |
| 294 | L | 93.1 | Very high | 88.5 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 178.6 | -78.4 | 166.8 | 0 | 0 | 0 | 112.8 | V243 L283 V285 Q290 L291 G292 N297 N302 | V243-L294 HydrophobicContact CG1-CD1 4.13Å; L283-L294 HydrophobicContact CD2-CD1 3.46Å; L283-L294 VanDerWaalsContact CD2-CD1 3.46Å; L283-L294 HydrophobicContact CD2-CD2 4.5Å; V285-L294 HydrophobicContact CG1-CD1 3.57Å; Q290-L294 WeakPolarHBondContact O-CB 3.48Å; Q290-L294 WeakPolarHBondContact O-CD1 3.4Å; Q290-L294 WeakPolarHBondContact O-CG 3.33Å; Q290-L294 PolarHBondContact O-N 3.17Å; Q290-L294 VanDerWaalsContact O-N 3.12Å; L291-L294 PolarHBondContact O-N 2.78Å; G292-L294 VanDerWaalsContact C-N 3.28Å; G292-L294 PolarHBondContact O-N 3.15Å; L294-N297 WeakPolarHBondContact O-CB 3.49Å; L294-N302 WeakPolarHBondContact O-CB 3.18Å; L294-N302 PolarHBondContact O-ND2 2.92Å |
| 295 | V | 91 | Very high | 88.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | L123 R125 L291 G292 N297 G304 I321 | L123-V295 HydrophobicContact CB-CG1 4.32Å; R125-V295 WeakPolarHBondContact CB-O 3.48Å; L291-V295 HydrophobicContact CD2-CG2 4.18Å; L291-V295 VanDerWaalsContact O-CG2 3.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.34Å; L291-V295 PolarHBondContact O-N 2.82Å; L291-V295 VanDerWaalsContact O-N 3.11Å; G292-V295 PolarHBondContact O-N 2.95Å; G292-V295 VanDerWaalsContact O-N 3.12Å; V295-N297 VanDerWaalsContact C-N 3.26Å; V295-N297 PolarHBondContact O-N 3.39Å; V295-G304 VanDerWaalsContact CG2-N 3.32Å; V295-I321 HydrophobicContact CB-CD1 3.98Å; V295-I321 HydrophobicContact CG1-CD1 3.97Å; V295-I321 HydrophobicContact CG1-CG1 4.03Å; V295-I321 HydrophobicContact CG1-CG2 4.4Å |
| 296 | E | 86.7 | Confident | 88.4 | Confident | 62 Ų | 62 | 45 Ų | 45 | 29% | 0.29 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.3 | -19.1 | 179.6 | -170.4 | 167.4 | -143.5 | 0 | 0 | 113.3 | R125 G292 P298 A320 I321 | R125-E296 WeakPolarHBondContact CD-O 3.3Å; R125-E296 PolarHBondContact NE-O 2.91Å; G292-E296 WeakPolarHBondContact O-CB 3.17Å; G292-E296 PolarHBondContact O-N 3Å; E296-P298 WeakPolarHBondContact O-CD 3.21Å; E296-A320 HydrophobicContact CG-CB 4.15Å; E296-A320 PolarHBondContact OE1-N 2.65Å; E296-I321 HydrophobicContact CB-CD1 4.42Å; E296-I321 HydrophobicContact CB-CG1 4.35Å |
| 297 | N | 86.1 | Confident | 88.4 | Confident | 46 Ų | 46 | 39.7 Ų | 39.7 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | trans | -59.3 | 119.9 | -177.3 | -175 | -9.4 | 0 | 0 | 0 | 112.2 | D293 L294 V295 N299 E300 | D293-N297 PolarHBondContact O-N 3.35Å; L294-N297 WeakPolarHBondContact O-CB 3.49Å; V295-N297 VanDerWaalsContact C-N 3.26Å; V295-N297 PolarHBondContact O-N 3.39Å; N297-N299 VanDerWaalsContact C-N 3.29Å; N297-N299 PolarHBondContact O-N 3.33Å; N297-N299 PolarHBondContact OD1-N 3.49Å; N297-E300 VanDerWaalsContact O-O 3.08Å | ||
| 298 | P | 81.6 | Confident | 88.5 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.9 | -179 | 24.9 | -34.3 | 0 | 0 | 0 | 115.4 | R125 E296 | R125-P298 VanDerWaalsContact CZ-CB 3.42Å; R125-P298 VanDerWaalsContact NH1-CA 3.3Å; E296-P298 WeakPolarHBondContact O-CD 3.21Å |
| 299 | N | 83.7 | Confident | 88.3 | Confident | 143 Ų | 143 | 39 Ų | 39 | 77% | 0.765 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -16.6 | -170 | -60.7 | -44 | 0 | 0 | 0 | 112.7 | N297 | N297-N299 VanDerWaalsContact C-N 3.29Å; N297-N299 PolarHBondContact O-N 3.33Å; N297-N299 PolarHBondContact OD1-N 3.49Å |
| 300 | E | 84.5 | Confident | 88 | Confident | 109 Ų | 109 | 36.5 Ų | 36.5 | 51% | 0.509 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -132.5 | 137.4 | -174.1 | -63.4 | -177.4 | 176.1 | 0 | 0 | 109.9 | N297 N302 | N297-E300 VanDerWaalsContact O-O 3.08Å; E300-N302 PolarHBondContact O-N 3.18Å; E300-N302 VanDerWaalsContact O-N 3.15Å; E300-N302 PolarHBondContact OE2-ND2 2.86Å |
| 301 | C | 88.2 | Confident | 87.6 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 88.2 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | R239 C240 R241 | R239-C301 WeakPolarHBondContact O-CB 3.34Å; C240-C301 CarbonylContact C-O 3.14Å; C240-C301 WeakPolarHBondContact CA-O 3.49Å; C240-C301 HydrophobicContact CB-CB 3.77Å; C240-C301 WeakPolarHBondContact CB-O 3.46Å; C240-C301 WeakPolarHBondContact CB-SG 3.45Å; C240-C301 WeakPolarHBondContact SG-CB 3.28Å; C240-C301 CovalentContact SG-SG 2.04Å; C240-C301 PolarHBondContact SG-SG 3.21Å; R241-C301 PolarHBondContact N-O 3.46Å |
| 302 | N | 92.3 | Very high | 87 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.2 | 174.8 | -68.5 | -43.2 | 0 | 0 | 0 | 110.4 | R241 V243 L294 E300 | R241-N302 WeakPolarHBondContact O-CA 3.48Å; V243-N302 HydrophobicContact CG2-CB 3.84Å; L294-N302 WeakPolarHBondContact O-CB 3.18Å; L294-N302 PolarHBondContact O-ND2 2.92Å; E300-N302 PolarHBondContact O-N 3.18Å; E300-N302 VanDerWaalsContact O-N 3.15Å; E300-N302 PolarHBondContact OE2-ND2 2.86Å |
| 303 | I | 91.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 108.3 | -178.5 | -53.2 | -68.7 | 0 | 0 | 0 | 107.5 | L122 L123 F124 F225 L231 C240 R241 L242 V243 | L122-I303 HydrophobicContact CB-CG2 4.35Å; L122-I303 HydrophobicContact CD2-CG2 4.28Å; L123-I303 CarbonylContact O-C 3.56Å; L123-I303 WeakPolarHBondContact O-CA 3.42Å; F124-I303 HydrophobicContact CB-CD1 3.72Å; F225-I303 HydrophobicContact CE1-CD1 4.09Å; L231-I303 HydrophobicContact CD1-CD1 4.4Å; L231-I303 HydrophobicContact CD1-CG1 4.03Å; C240-I303 HydrophobicContact CB-CG1 4.37Å; R241-I303 PolarHBondContact O-N 3.43Å; L242-I303 CarbonylContact C-O 3.54Å; L242-I303 WeakPolarHBondContact CA-O 3.35Å; L242-I303 HydrophobicContact CD2-CB 4.12Å; L242-I303 HydrophobicContact CD2-CG2 4.15Å; V243-I303 PolarHBondContact N-O 3.12Å |
| 304 | G | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 148.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | L122 L123 V295 | L122-G304 WeakPolarHBondContact CA-O 3.21Å; L123-G304 VanDerWaalsContact CD1-C 3.48Å; L123-G304 PolarHBondContact N-O 3.12Å; L123-G304 PolarHBondContact O-N 3.31Å; V295-G304 VanDerWaalsContact CG2-N 3.32Å |
| 305 | V | 89.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.9 | 171.8 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | I120 L122 L242 V243 L244 F254 | I120-V305 HydrophobicContact CG2-CG1 3.69Å; L122-V305 HydrophobicContact CD2-CG2 3.93Å; L242-V305 HydrophobicContact CD2-CG2 3.92Å; V243-V305 PolarHBondContact O-N 3.02Å; L244-V305 HydrophobicContact CD2-CB 3.71Å; L244-V305 HydrophobicContact CD2-CG1 4.06Å; L244-V305 HydrophobicContact CD2-CG2 4.28Å; F254-V305 HydrophobicContact CB-CG1 4.42Å; F254-V305 HydrophobicContact CD2-CB 4.25Å; F254-V305 HydrophobicContact CD2-CG1 3.42Å; F254-V305 VanDerWaalsContact CD2-CG1 3.42Å; F254-V305 HydrophobicContact CD2-CG2 4.11Å; F254-V305 HydrophobicContact CE2-CG1 4.05Å; F254-V305 HydrophobicContact CE2-CG2 3.92Å; F254-V305 HydrophobicContact CG-CG1 4.19Å |
| 306 | D | 88.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -172 | 177.1 | -150.5 | -9.9 | 0 | 0 | 0 | 110.4 | A121 L123 H248 Y314 | A121-D306 PolarHBondContact N-O 3.39Å; A121-D306 PolarHBondContact O-N 3.16Å; L123-D306 HydrophobicContact CD1-CB 3.73Å; H248-D306 IonicContact CE1-OD1 2.82Å; H248-D306 PolarHBondContact CE1-OD1 3.4Å; H248-D306 VanDerWaalsContact CE1-OD1 3.31Å; H248-D306 IonicContact ND1-OD1 3.5Å; D306-Y314 HydrophobicContact CB-CE2 4.15Å; D306-Y314 WeakPolarHBondContact OD2-CE2 3.5Å; D306-Y314 PolarHBondContact OD2-OH 2.85Å |
| 307 | F | 86.7 | Confident | 84.3 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.022 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 145.8 | 173.6 | -66.4 | -54.3 | 0 | 0 | 0 | 112.2 | T100 D118 H248 F253 E309 A310 F335 | T100-F307 HydrophobicContact CG2-CE1 4.03Å; T100-F307 HydrophobicContact CG2-CZ 3.81Å; D118-F307 VanDerWaalsContact OD2-CB 3.3Å; D118-F307 WeakPolarHBondContact OD2-CB 3.41Å; H248-F307 AromaticContact CE1-CD2 3.64Å; H248-F307 AromaticContact CE1-CE2 3.4Å; H248-F307 WeakPolarHBondContact CE1-CE2 3.49Å; H248-F307 AromaticContact ND1-CE2 3.76Å; F253-F307 HydrophobicContact CD1-CE1 4.25Å; F253-F307 AromaticContact CD1-CZ 3.82Å; F253-F307 HydrophobicContact CD1-CZ 3.82Å; F253-F307 AromaticContact CD2-CE1 3.8Å; F253-F307 HydrophobicContact CD2-CE1 3.8Å; F253-F307 HydrophobicContact CD2-CZ 4.21Å; F253-F307 AromaticContact CE1-CE1 3.94Å; F253-F307 HydrophobicContact CE1-CE1 3.94Å; F253-F307 HydrophobicContact CE1-CE2 4.07Å; F253-F307 AromaticContact CE1-CZ 3.4Å; F253-F307 HydrophobicContact CE1-CZ 3.4Å; F253-F307 VanDerWaalsContact CE1-CZ 3.4Å; F253-F307 HydrophobicContact CE2-CD1 4.18Å; F253-F307 AromaticContact CE2-CE1 3.51Å; F253-F307 HydrophobicContact CE2-CE1 3.51Å; F253-F307 AromaticContact CE2-CZ 3.89Å; F253-F307 HydrophobicContact CE2-CZ 3.89Å; F253-F307 HydrophobicContact CG-CE1 4.19Å; F253-F307 HydrophobicContact CG-CZ 4.2Å; F253-F307 HydrophobicContact CZ-CD1 4.3Å; F253-F307 AromaticContact CZ-CE1 3.58Å; F253-F307 HydrophobicContact CZ-CE1 3.58Å; F253-F307 HydrophobicContact CZ-CE2 4.09Å; F253-F307 AromaticContact CZ-CZ 3.46Å; F253-F307 HydrophobicContact CZ-CZ 3.46Å; F253-F307 VanDerWaalsContact CZ-CZ 3.46Å; F307-E309 VanDerWaalsContact C-N 3.28Å; F307-E309 HydrophobicContact CB-CG 4.23Å; F307-E309 PolarHBondContact O-N 3.28Å; F307-A310 WeakPolarHBondContact O-CB 3.44Å; F307-A310 PolarHBondContact O-N 3.43Å; F307-F335 HydrophobicContact CD1-CE2 4.41Å; F307-F335 AromaticContact CD1-CZ 3.71Å; F307-F335 HydrophobicContact CD1-CZ 3.71Å; F307-F335 HydrophobicContact CD2-CE1 4.3Å; F307-F335 AromaticContact CD2-CZ 3.97Å; F307-F335 HydrophobicContact CD2-CZ 3.97Å; F307-F335 HydrophobicContact CE1-CE1 4.38Å; F307-F335 HydrophobicContact CE1-CE2 4.39Å; F307-F335 AromaticContact CE1-CZ 3.55Å; F307-F335 HydrophobicContact CE1-CZ 3.55Å; F307-F335 AromaticContact CE2-CE1 3.92Å; F307-F335 HydrophobicContact CE2-CE1 3.92Å; F307-F335 AromaticContact CE2-CZ 3.8Å; F307-F335 HydrophobicContact CE2-CZ 3.8Å; F307-F335 AromaticContact CG-CZ 3.93Å; F307-F335 HydrophobicContact CG-CZ 3.93Å; F307-F335 AromaticContact CZ-CE1 3.97Å; F307-F335 HydrophobicContact CZ-CE1 3.97Å; F307-F335 AromaticContact CZ-CZ 3.6Å; F307-F335 HydrophobicContact CZ-CZ 3.6Å |
| 308 | A | 85.4 | Confident | 84.1 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -69.2 | -27.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D118 G119 A121 A310 E311 P325 | D118-A308 WeakPolarHBondContact OD1-CB 3.29Å; D118-A308 PolarHBondContact OD2-N 3.27Å; G119-A308 WeakPolarHBondContact O-CB 3.4Å; G119-A308 PolarHBondContact O-N 3.36Å; A121-A308 HydrophobicContact CB-CB 3.88Å; A308-A310 PolarHBondContact O-N 2.86Å; A308-E311 WeakPolarHBondContact O-CB 3.06Å; A308-E311 PolarHBondContact O-N 2.94Å; A308-P325 HydrophobicContact CB-CB 3.81Å; A308-P325 HydrophobicContact CB-CG 4.06Å |
| 309 | E | 81.9 | Confident | 83.8 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -63.1 | -20.3 | 173.9 | 72.3 | -167.5 | 163.7 | 0 | 0 | 113.1 | Y36 D118 F307 E311 L365 N369 | Y36-E309 WeakPolarHBondContact CE1-OE1 3.15Å; Y36-E309 VanDerWaalsContact CZ-OE1 3.23Å; Y36-E309 PolarHBondContact OH-OE1 3.07Å; D118-E309 PolarHBondContact OD1-N 2.98Å; D118-E309 VanDerWaalsContact OD2-CB 3.28Å; D118-E309 WeakPolarHBondContact OD2-CB 3.34Å; D118-E309 WeakPolarHBondContact OD2-CG 3.38Å; D118-E309 PolarHBondContact OD2-N 2.98Å; F307-E309 VanDerWaalsContact C-N 3.28Å; F307-E309 HydrophobicContact CB-CG 4.23Å; F307-E309 PolarHBondContact O-N 3.28Å; E309-E311 PolarHBondContact O-N 2.69Å; E309-L365 HydrophobicContact CG-CD2 4.15Å; E309-L365 WeakPolarHBondContact OE2-CD1 3.47Å; E309-L365 WeakPolarHBondContact OE2-CD2 3.42Å; E309-N369 PolarHBondContact O-ND2 2.87Å |
| 310 | A | 79.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -76.9 | -1.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | F307 A308 S312 F313 Y314 | F307-A310 WeakPolarHBondContact O-CB 3.44Å; F307-A310 PolarHBondContact O-N 3.43Å; A308-A310 PolarHBondContact O-N 2.86Å; A310-S312 PolarHBondContact O-N 3.4Å; A310-F313 WeakPolarHBondContact O-CA 3.16Å; A310-F313 VanDerWaalsContact O-CB 3.28Å; A310-F313 WeakPolarHBondContact O-CB 3.4Å; A310-F313 PolarHBondContact O-N 2.78Å; A310-Y314 HydrophobicContact CB-CD2 3.81Å; A310-Y314 HydrophobicContact CB-CE2 3.61Å; A310-Y314 WeakPolarHBondContact O-CD2 3.43Å; A310-Y314 PolarHBondContact O-N 2.95Å |
| 311 | E | 83.6 | Confident | 83.6 | Confident | 70 Ų | 70 | 19.9 Ų | 19.9 | 33% | 0.327 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -44.7 | -59.4 | 177.7 | 174 | 171.7 | -150.4 | 0 | 0 | 112 | A308 E309 F313 Y314 E315 V323 | A308-E311 WeakPolarHBondContact O-CB 3.06Å; A308-E311 PolarHBondContact O-N 2.94Å; E309-E311 PolarHBondContact O-N 2.69Å; E311-F313 PolarHBondContact O-N 2.87Å; E311-Y314 PolarHBondContact O-N 3.45Å; E311-Y314 VanDerWaalsContact O-N 3.16Å; E311-E315 HydrophobicContact CG-CG 4.44Å; E311-E315 WeakPolarHBondContact O-CB 3.44Å; E311-E315 WeakPolarHBondContact O-CG 3.18Å; E311-E315 PolarHBondContact O-N 3.28Å; E311-V323 HydrophobicContact CB-CB 4.07Å; E311-V323 HydrophobicContact CB-CG1 4Å; E311-V323 HydrophobicContact CG-CB 4.05Å; E311-V323 HydrophobicContact CG-CG1 4.45Å |
| 312 | S | 78.4 | Confident | 83.3 | Confident | 42 Ų | 42 | 19.3 Ų | 19.3 | 29% | 0.294 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -65.8 | -24.7 | -179.7 | -51.3 | 0 | 0 | 0 | 0 | 113.4 | A310 S316 | A310-S312 PolarHBondContact O-N 3.4Å; S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.47Å; S312-S316 PolarHBondContact O-OG 3.28Å |
| 313 | F | 81.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.3 | -45.9 | 174.9 | 174.1 | -85.7 | 0 | 0 | 0 | 111.1 | R34 P35 V288 A310 E311 S316 R317 N369 | R34-F313 HydrophobicContact CB-CE2 4.12Å; R34-F313 HydrophobicContact CB-CZ 4.28Å; P35-F313 HydrophobicContact CB-CD2 4.22Å; V288-F313 HydrophobicContact CB-CE1 3.85Å; V288-F313 HydrophobicContact CB-CZ 4.26Å; V288-F313 HydrophobicContact CG2-CE1 3.64Å; V288-F313 HydrophobicContact CG2-CZ 3.52Å; A310-F313 WeakPolarHBondContact O-CA 3.16Å; A310-F313 VanDerWaalsContact O-CB 3.28Å; A310-F313 WeakPolarHBondContact O-CB 3.4Å; A310-F313 PolarHBondContact O-N 2.78Å; E311-F313 PolarHBondContact O-N 2.87Å; F313-S316 PolarHBondContact O-OG 3.41Å; F313-S316 VanDerWaalsContact O-OG 3.06Å; F313-R317 PolarHBondContact O-NH1 2.6Å; F313-N369 HydrophobicContact CB-CB 4.27Å |
| 314 | Y | 84.6 | Confident | 82.6 | Confident | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -73.5 | -46.4 | 179.9 | -72.9 | -76.6 | 0 | 0 | 0 | 111.6 | L123 L291 D306 A310 E311 S316 R317 F318 | L123-Y314 HydrophobicContact CD2-CD1 3.48Å; L123-Y314 VanDerWaalsContact CD2-CD1 3.48Å; L123-Y314 HydrophobicContact CD2-CD2 3.3Å; L123-Y314 HydrophobicContact CD2-CE1 3.66Å; L123-Y314 HydrophobicContact CD2-CE2 3.49Å; L123-Y314 VanDerWaalsContact CD2-CE2 3.49Å; L123-Y314 HydrophobicContact CD2-CG 3.29Å; L291-Y314 HydrophobicContact CD2-CE1 3.8Å; D306-Y314 HydrophobicContact CB-CE2 4.15Å; D306-Y314 WeakPolarHBondContact OD2-CE2 3.5Å; D306-Y314 PolarHBondContact OD2-OH 2.85Å; A310-Y314 HydrophobicContact CB-CD2 3.81Å; A310-Y314 HydrophobicContact CB-CE2 3.61Å; A310-Y314 WeakPolarHBondContact O-CD2 3.43Å; A310-Y314 PolarHBondContact O-N 2.95Å; E311-Y314 PolarHBondContact O-N 3.45Å; E311-Y314 VanDerWaalsContact O-N 3.16Å; Y314-S316 VanDerWaalsContact C-N 3.27Å; Y314-S316 PolarHBondContact O-N 2.79Å; Y314-R317 PolarHBondContact O-N 3.26Å; Y314-F318 AromaticContact CD1-CD2 3.9Å; Y314-F318 HydrophobicContact CD1-CD2 3.9Å; Y314-F318 AromaticContact CD1-CE2 3.99Å; Y314-F318 HydrophobicContact CD1-CE2 3.99Å; Y314-F318 PolarHBondContact O-N 3Å |
| 315 | E | 77.4 | Confident | 82.3 | Confident | 81 Ų | 81 | 23.4 Ų | 23.4 | 38% | 0.379 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.5 | -33.8 | -180 | -70 | -178 | 160.1 | 0 | 0 | 112.8 | E311 R317 | E311-E315 HydrophobicContact CG-CG 4.44Å; E311-E315 WeakPolarHBondContact O-CB 3.44Å; E311-E315 WeakPolarHBondContact O-CG 3.18Å; E311-E315 PolarHBondContact O-N 3.28Å; E315-R317 VanDerWaalsContact C-N 3.27Å; E315-R317 PolarHBondContact O-N 3.03Å |
| 316 | S | 74.9 | Confident | 81.8 | Confident | 16 Ų | 16 | 23.9 Ų | 23.9 | 11% | 0.112 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.9 | 177.6 | 60 | 0 | 0 | 0 | 0 | 114.6 | S312 F313 Y314 N369 | S312-S316 WeakPolarHBondContact O-CB 3.22Å; S312-S316 PolarHBondContact O-N 3.47Å; S312-S316 PolarHBondContact O-OG 3.28Å; F313-S316 PolarHBondContact O-OG 3.41Å; F313-S316 VanDerWaalsContact O-OG 3.06Å; Y314-S316 VanDerWaalsContact C-N 3.27Å; Y314-S316 PolarHBondContact O-N 2.79Å; S316-N369 PolarHBondContact OG-O 3.02Å |
| 317 | R | 78.7 | Confident | 81.3 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 15% | 0.151 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -31.9 | -175.6 | -71.8 | 171.2 | -179.7 | 75.4 | -2.9 | 112.9 | F313 Y314 E315 N369 | F313-R317 PolarHBondContact O-NH1 2.6Å; Y314-R317 PolarHBondContact O-N 3.26Å; E315-R317 VanDerWaalsContact C-N 3.27Å; E315-R317 PolarHBondContact O-N 3.03Å; R317-N369 PolarHBondContact NH1-O 3.32Å |
| 318 | F | 81.7 | Confident | 80.6 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | trans | -123 | 101.5 | -175.2 | -57.4 | -80.5 | 0 | 0 | 0 | 109.5 | Y314 A320 I321 | Y314-F318 AromaticContact CD1-CD2 3.9Å; Y314-F318 HydrophobicContact CD1-CD2 3.9Å; Y314-F318 AromaticContact CD1-CE2 3.99Å; Y314-F318 HydrophobicContact CD1-CE2 3.99Å; Y314-F318 PolarHBondContact O-N 3Å; F318-A320 PolarHBondContact O-N 3.22Å; F318-I321 HydrophobicContact CB-CB 3.96Å; F318-I321 HydrophobicContact CB-CD1 3.39Å; F318-I321 HydrophobicContact CB-CG1 3.6Å; F318-I321 HydrophobicContact CD1-CD1 4.11Å; F318-I321 HydrophobicContact CD2-CD1 4.06Å; F318-I321 HydrophobicContact CG-CD1 3.59Å; F318-I321 HydrophobicContact CG-CG1 4.35Å; F318-I321 PolarHBondContact O-N 3.43Å | ||
| 319 | C | 75.5 | Confident | 79.9 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 22% | 0.216 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.7 | -171.5 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | R126 C377 | R126-C319 VanDerWaalsContact CZ-O 3.26Å; R126-C319 PolarHBondContact NH2-O 2.88Å; C319-C377 WeakPolarHBondContact CA-SG 3.32Å; C319-C377 HydrophobicContact CB-CB 3.67Å; C319-C377 WeakPolarHBondContact CB-SG 3.2Å; C319-C377 WeakPolarHBondContact SG-CA 3.23Å; C319-C377 WeakPolarHBondContact SG-CB 3.41Å; C319-C377 CovalentContact SG-SG 2.03Å; C319-C377 PolarHBondContact SG-SG 2.98Å |
| 320 | A | 79.7 | Confident | 79.6 | Confident | 20 Ų | 20 | 39 Ų | 39 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 19.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R125 R126 E296 F318 | R125-A320 CarbonylContact C-O 3.59Å; R125-A320 VanDerWaalsContact CA-O 3.27Å; R125-A320 WeakPolarHBondContact CA-O 3.44Å; R126-A320 WeakPolarHBondContact CB-O 3.44Å; R126-A320 PolarHBondContact N-O 2.97Å; E296-A320 HydrophobicContact CG-CB 4.15Å; E296-A320 PolarHBondContact OE1-N 2.65Å; F318-A320 PolarHBondContact O-N 3.22Å |
| 321 | I | 83.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.5 | 173 | -63 | -177.2 | 0 | 0 | 0 | 109.1 | L123 F124 G292 V295 E296 F318 V323 | L123-I321 HydrophobicContact CB-CG2 4.01Å; L123-I321 HydrophobicContact CD2-CG2 4.19Å; F124-I321 WeakPolarHBondContact O-CA 3.35Å; G292-I321 WeakPolarHBondContact O-CD1 3.45Å; V295-I321 HydrophobicContact CB-CD1 3.98Å; V295-I321 HydrophobicContact CG1-CD1 3.97Å; V295-I321 HydrophobicContact CG1-CG1 4.03Å; V295-I321 HydrophobicContact CG1-CG2 4.4Å; E296-I321 HydrophobicContact CB-CD1 4.42Å; E296-I321 HydrophobicContact CB-CG1 4.35Å; F318-I321 HydrophobicContact CB-CB 3.96Å; F318-I321 HydrophobicContact CB-CD1 3.39Å; F318-I321 HydrophobicContact CB-CG1 3.6Å; F318-I321 HydrophobicContact CD1-CD1 4.11Å; F318-I321 HydrophobicContact CD2-CD1 4.06Å; F318-I321 HydrophobicContact CG-CD1 3.59Å; F318-I321 HydrophobicContact CG-CG1 4.35Å; F318-I321 PolarHBondContact O-N 3.43Å; I321-V323 HydrophobicContact CG2-CG2 4.39Å |
| 322 | D | 82.5 | Confident | 79.2 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 146.8 | 163.4 | -63.4 | -35.2 | 0 | 0 | 0 | 109 | L123 F124 R126 F221 | L123-D322 WeakPolarHBondContact CA-O 3.24Å; F124-D322 HydrophobicContact CD2-CB 4.29Å; F124-D322 HydrophobicContact CE2-CB 3.61Å; F124-D322 HydrophobicContact CZ-CB 3.92Å; F124-D322 PolarHBondContact N-O 3.48Å; F124-D322 VanDerWaalsContact N-O 3.13Å; F124-D322 PolarHBondContact O-N 2.92Å; R126-D322 IonicContact NH1-OD1 3.99Å; F221-D322 WeakPolarHBondContact CD1-OD2 3.34Å |
| 323 | V | 84.6 | Confident | 79.5 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.4 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | A121 L123 E311 I321 | A121-V323 HydrophobicContact CB-CG1 3.52Å; L123-V323 HydrophobicContact CD2-CG2 4.1Å; L123-V323 HydrophobicContact CG-CG2 4.13Å; E311-V323 HydrophobicContact CB-CB 4.07Å; E311-V323 HydrophobicContact CB-CG1 4Å; E311-V323 HydrophobicContact CG-CB 4.05Å; E311-V323 HydrophobicContact CG-CG1 4.45Å; I321-V323 HydrophobicContact CG2-CG2 4.39Å |
| 324 | V | 84.6 | Confident | 79.7 | Confident | 63 Ų | 63 | 53 Ų | 53 | 38% | 0.382 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 108.2 | 178.1 | 174 | 0 | 0 | 0 | 0 | 110.2 | A121 L122 F124 L326 | A121-V324 VanDerWaalsContact CA-O 3.28Å; A121-V324 WeakPolarHBondContact CA-O 3.45Å; L122-V324 PolarHBondContact N-O 3.32Å; L122-V324 PolarHBondContact O-N 3.43Å; F124-V324 HydrophobicContact CE1-CB 3.8Å; F124-V324 HydrophobicContact CE1-CG2 3.29Å; F124-V324 HydrophobicContact CZ-CB 4.33Å; F124-V324 HydrophobicContact CZ-CG2 3.32Å; V324-L326 PolarHBondContact O-N 2.9Å |
| 325 | P | 83.8 | Confident | 80 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 20% | 0.195 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130 | 173.9 | -19.5 | 31.3 | 0 | 0 | 0 | 111.3 | A308 R327 | A308-P325 HydrophobicContact CB-CB 3.81Å; A308-P325 HydrophobicContact CB-CG 4.06Å; P325-R327 VanDerWaalsContact C-N 3.25Å; P325-R327 HydrophobicContact CB-CG 4.18Å; P325-R327 PolarHBondContact O-N 2.93Å |
| 326 | L | 80.4 | Confident | 80.7 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | trans | -88.1 | 13.5 | 175.2 | -58.4 | -177.9 | 0 | 0 | 0 | 113 | I120 L122 L228 L258 V324 T328 V329 L330 | I120-L326 HydrophobicContact CG2-CD1 4.45Å; I120-L326 VanDerWaalsContact O-CB 3.28Å; I120-L326 WeakPolarHBondContact O-CB 3.44Å; I120-L326 PolarHBondContact O-N 3.44Å; L122-L326 HydrophobicContact CD1-CD1 4.14Å; L122-L326 HydrophobicContact CD1-CD2 4.06Å; L122-L326 HydrophobicContact CD1-CG 4.48Å; L122-L326 HydrophobicContact CD2-CD1 4.32Å; L122-L326 HydrophobicContact CG-CD1 3.91Å; L122-L326 HydrophobicContact CG-CD2 4.25Å; L122-L326 HydrophobicContact CG-CG 4.2Å; L228-L326 HydrophobicContact CD1-CD2 4.44Å; L228-L326 HydrophobicContact CD2-CD2 4.1Å; L258-L326 HydrophobicContact CD1-CD1 4.03Å; L258-L326 HydrophobicContact CD2-CD1 3.96Å; L258-L326 HydrophobicContact CG-CD1 4.44Å; V324-L326 PolarHBondContact O-N 2.9Å; L326-T328 PolarHBondContact O-N 3.35Å; L326-T328 VanDerWaalsContact O-N 3.08Å; L326-V329 WeakPolarHBondContact O-CA 3.47Å; L326-V329 PolarHBondContact O-N 2.74Å; L326-L330 HydrophobicContact CB-CD1 3.78Å; L326-L330 HydrophobicContact CB-CG 4.09Å; L326-L330 HydrophobicContact CD1-CD1 3.72Å; L326-L330 HydrophobicContact CG-CD1 4.44Å; L326-L330 PolarHBondContact O-N 3.4Å | ||
| 327 | R | 77 | Confident | 81.6 | Confident | 167 Ų | 167 | 48.5 Ų | 48.5 | 63% | 0.63 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23 | -176.7 | 67.9 | -178.1 | 178.2 | -164.3 | -4.4 | 115.5 | P325 | P325-R327 VanDerWaalsContact C-N 3.25Å; P325-R327 HydrophobicContact CB-CG 4.18Å; P325-R327 PolarHBondContact O-N 2.93Å |
| 328 | T | 73.1 | Confident | 82.3 | Confident | 126 Ų | 126 | 46.6 Ų | 46.6 | 77% | 0.773 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.3 | 176.8 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | L326 | L326-T328 PolarHBondContact O-N 3.35Å; L326-T328 VanDerWaalsContact O-N 3.08Å |
| 329 | V | 70.9 | Confident | 82.9 | Confident | 54 Ų | 54 | 46 Ų | 46 | 33% | 0.327 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -32.7 | -169.1 | -160.6 | 0 | 0 | 0 | 0 | 111.6 | L228 W269 L326 | L228-V329 HydrophobicContact CD1-CG1 4.2Å; W269-V329 HydrophobicContact CH2-CG1 3.01Å; W269-V329 HydrophobicContact CZ2-CB 4.48Å; W269-V329 HydrophobicContact CZ2-CG1 3.14Å; W269-V329 HydrophobicContact CZ3-CG1 4.1Å; L326-V329 WeakPolarHBondContact O-CA 3.47Å; L326-V329 PolarHBondContact O-N 2.74Å |
| 330 | L | 74.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -113.3 | 154.8 | 179.7 | -59 | 178.9 | 0 | 0 | 0 | 110.6 | I120 S257 L258 L267 L326 | I120-L330 HydrophobicContact CB-CD1 4.26Å; I120-L330 HydrophobicContact CD1-CD1 4.23Å; S257-L330 WeakPolarHBondContact O-CD2 3.5Å; L258-L330 HydrophobicContact CD1-CD1 3.99Å; L258-L330 HydrophobicContact CD2-CD1 4.24Å; L258-L330 HydrophobicContact CG-CD1 3.79Å; L267-L330 HydrophobicContact CD1-CD2 4.39Å; L326-L330 HydrophobicContact CB-CD1 3.78Å; L326-L330 HydrophobicContact CB-CG 4.09Å; L326-L330 HydrophobicContact CD1-CD1 3.72Å; L326-L330 HydrophobicContact CG-CD1 4.44Å; L326-L330 PolarHBondContact O-N 3.4Å |
| 331 | Q | 75.2 | Confident | 84.3 | Confident | 154 Ų | 154 | 46.4 Ų | 46.4 | 72% | 0.72 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -64.5 | 146.7 | 171.3 | -72.9 | -173 | -14 | 0 | 0 | 110.4 | ||
| 332 | Q | 81.6 | Confident | 84.6 | Confident | 103 Ų | 103 | 48.3 Ų | 48.3 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 133 | 169.3 | -70 | -178.6 | -48.6 | 0 | 0 | 109.7 | D118 | D118-Q332 CarbonylContact O-C 3.59Å; D118-Q332 VanDerWaalsContact O-CA 3.3Å; D118-Q332 WeakPolarHBondContact O-CA 3.24Å |
| 333 | E | 83.7 | Confident | 85 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 149.3 | 169 | -55.7 | -58.4 | 162 | 0 | 0 | 109.9 | T100 Y117 D118 S257 F335 | T100-E333 HydrophobicContact CG2-CB 3.96Å; T100-E333 HydrophobicContact CG2-CG 4.27Å; Y117-E333 WeakPolarHBondContact CA-O 3.21Å; D118-E333 PolarHBondContact N-O 3.36Å; D118-E333 VanDerWaalsContact N-O 3.09Å; D118-E333 WeakPolarHBondContact O-CA 3.49Å; D118-E333 PolarHBondContact O-N 3.26Å; S257-E333 PolarHBondContact OG-OE1 3.3Å; E333-F335 HydrophobicContact CB-CE2 4Å |
| 334 | R | 86.9 | Confident | 85.3 | Confident | 133 Ų | 133 | 51.7 Ų | 51.7 | 50% | 0.502 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.9 | -177.2 | -58.8 | 177.4 | -173.5 | 173.8 | 1.9 | 108.3 | T100 L101 V114 Y117 | T100-R334 CarbonylContact C-O 3.52Å; T100-R334 WeakPolarHBondContact CA-O 3.4Å; L101-R334 HydrophobicContact CB-CB 3.98Å; L101-R334 WeakPolarHBondContact CB-O 3.3Å; L101-R334 HydrophobicContact CD2-CB 4.48Å; L101-R334 PolarHBondContact N-O 3.33Å; V114-R334 HydrophobicContact CG1-CB 3.98Å; V114-R334 HydrophobicContact CG2-CB 3.86Å; V114-R334 HydrophobicContact CG2-CG 4.31Å; Y117-R334 HydrophobicContact CD1-CG 3.98Å; Y117-R334 HydrophobicContact CE1-CG 3.77Å |
| 335 | F | 89 | Confident | 85.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.5 | -177.9 | -72.8 | -98.6 | 0 | 0 | 0 | 111.5 | S98 W99 T100 V114 V115 V116 D118 F307 E333 | S98-F335 WeakPolarHBondContact OG-CD1 3.37Å; W99-F335 CarbonylContact O-C 3.47Å; W99-F335 VanDerWaalsContact O-CA 3.27Å; W99-F335 WeakPolarHBondContact O-CA 3.4Å; T100-F335 HydrophobicContact CG2-CE1 4.03Å; T100-F335 HydrophobicContact CG2-CE2 4.35Å; T100-F335 HydrophobicContact CG2-CZ 3.88Å; V114-F335 WeakPolarHBondContact CA-O 3.46Å; V115-F335 PolarHBondContact N-O 3.33Å; V116-F335 HydrophobicContact CB-CB 4.29Å; V116-F335 PolarHBondContact O-N 3.1Å; D118-F335 HydrophobicContact CB-CD2 4.26Å; D118-F335 HydrophobicContact CB-CE2 3.72Å; F307-F335 HydrophobicContact CD1-CE2 4.41Å; F307-F335 AromaticContact CD1-CZ 3.71Å; F307-F335 HydrophobicContact CD1-CZ 3.71Å; F307-F335 HydrophobicContact CD2-CE1 4.3Å; F307-F335 AromaticContact CD2-CZ 3.97Å; F307-F335 HydrophobicContact CD2-CZ 3.97Å; F307-F335 HydrophobicContact CE1-CE1 4.38Å; F307-F335 HydrophobicContact CE1-CE2 4.39Å; F307-F335 AromaticContact CE1-CZ 3.55Å; F307-F335 HydrophobicContact CE1-CZ 3.55Å; F307-F335 AromaticContact CE2-CE1 3.92Å; F307-F335 HydrophobicContact CE2-CE1 3.92Å; F307-F335 AromaticContact CE2-CZ 3.8Å; F307-F335 HydrophobicContact CE2-CZ 3.8Å; F307-F335 AromaticContact CG-CZ 3.93Å; F307-F335 HydrophobicContact CG-CZ 3.93Å; F307-F335 AromaticContact CZ-CE1 3.97Å; F307-F335 HydrophobicContact CZ-CE1 3.97Å; F307-F335 AromaticContact CZ-CZ 3.6Å; F307-F335 HydrophobicContact CZ-CZ 3.6Å; E333-F335 HydrophobicContact CB-CE2 4Å |
| 336 | V | 92.1 | Very high | 86 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155 | -177.9 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | S98 W99 L101 Y111 T112 V114 L338 | S98-V336 CarbonylContact C-O 3.42Å; S98-V336 WeakPolarHBondContact CA-O 3.45Å; W99-V336 PolarHBondContact N-O 3.2Å; W99-V336 PolarHBondContact O-N 3.47Å; L101-V336 HydrophobicContact CB-CG1 4.48Å; L101-V336 HydrophobicContact CB-CG2 4.38Å; L101-V336 HydrophobicContact CD1-CG1 4.14Å; L101-V336 HydrophobicContact CD1-CG2 3.83Å; Y111-V336 HydrophobicContact CD2-CB 4.42Å; Y111-V336 HydrophobicContact CD2-CG1 4.21Å; Y111-V336 HydrophobicContact CD2-CG2 4.4Å; Y111-V336 HydrophobicContact CG-CG2 4.42Å; T112-V336 VanDerWaalsContact O-CG1 3.29Å; T112-V336 WeakPolarHBondContact O-CG1 3.35Å; V114-V336 HydrophobicContact CG2-CG1 4.27Å; V336-L338 HydrophobicContact CG2-CD2 4.34Å |
| 337 | F | 93.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -94.8 | 132.3 | 169.7 | -70.3 | -81.8 | 0 | 0 | 0 | 110.2 | D56 F59 I60 L94 A95 Y111 T112 V115 | D56-F337 HydrophobicContact CB-CE1 4.03Å; D56-F337 HydrophobicContact CB-CZ 3.92Å; F59-F337 AromaticContact CD1-CE2 3.66Å; F59-F337 HydrophobicContact CD1-CE2 3.66Å; F59-F337 HydrophobicContact CD1-CZ 4.05Å; F59-F337 AromaticContact CE1-CE2 3.9Å; F59-F337 HydrophobicContact CE1-CE2 3.9Å; I60-F337 HydrophobicContact CB-CE1 4.31Å; I60-F337 HydrophobicContact CB-CZ 4.41Å; I60-F337 HydrophobicContact CD1-CD1 4.48Å; I60-F337 HydrophobicContact CD1-CD2 4.19Å; I60-F337 HydrophobicContact CD1-CE2 4.47Å; I60-F337 HydrophobicContact CD1-CG 4.19Å; L94-F337 HydrophobicContact CD1-CB 4.07Å; A95-F337 WeakPolarHBondContact O-CD1 3.4Å; Y111-F337 CarbonylContact C-O 3.6Å; Y111-F337 VanDerWaalsContact CA-O 3.28Å; Y111-F337 WeakPolarHBondContact CA-O 3.39Å; T112-F337 HydrophobicContact CG2-CB 3.94Å; T112-F337 PolarHBondContact N-O 3.33Å; T112-F337 PolarHBondContact OG1-N 3.29Å; V115-F337 HydrophobicContact CG1-CE2 4.49Å; V115-F337 HydrophobicContact CG2-CD2 3.8Å; V115-F337 HydrophobicContact CG2-CE2 3.87Å | ||
| 338 | L | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 143 | 177.4 | -56.4 | -175.7 | 0 | 0 | 0 | 111.2 | L87 L94 A95 W99 I106 L109 W110 V336 | L87-L338 HydrophobicContact CD1-CB 3.89Å; L94-L338 CarbonylContact C-O 3.52Å; L94-L338 WeakPolarHBondContact CD1-O 3.38Å; A95-L338 HydrophobicContact CB-CB 4.17Å; A95-L338 PolarHBondContact N-O 3.02Å; W99-L338 HydrophobicContact CB-CD1 4.47Å; W99-L338 HydrophobicContact CB-CG 4.27Å; W99-L338 HydrophobicContact CD2-CD1 3.57Å; W99-L338 HydrophobicContact CD2-CG 4.21Å; W99-L338 HydrophobicContact CE3-CD1 4.12Å; W99-L338 HydrophobicContact CG-CD1 3.76Å; W99-L338 HydrophobicContact CG-CG 3.84Å; W99-L338 HydrophobicContact CH2-CD1 4.48Å; W99-L338 HydrophobicContact CZ2-CD1 3.99Å; I106-L338 HydrophobicContact CG2-CD2 3.9Å; L109-L338 HydrophobicContact CD1-CB 4.34Å; L109-L338 HydrophobicContact CD1-CD1 3.98Å; W110-L338 CarbonylContact O-C 3.51Å; W110-L338 WeakPolarHBondContact O-CA 3.29Å; V336-L338 HydrophobicContact CG2-CD2 4.34Å |
| 339 | C | 94 | Very high | 88 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.8 | -177.3 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | D93 L94 W110 S341 L344 A345 | D93-C339 WeakPolarHBondContact O-CA 3.23Å; L94-C339 VanDerWaalsContact CD1-SG 3.56Å; W110-C339 HydrophobicContact CB-CB 4.27Å; W110-C339 PolarHBondContact N-O 2.87Å; W110-C339 PolarHBondContact O-N 3.49Å; C339-S341 VanDerWaalsContact C-N 3.28Å; C339-S341 PolarHBondContact O-N 3.38Å; C339-L344 HydrophobicContact CB-CD2 4.43Å; C339-A345 HydrophobicContact CB-CB 4.36Å |
| 340 | N | 93.2 | Very high | 88.7 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -78.7 | -10.6 | 172.6 | 72.3 | -3.7 | 0 | 0 | 0 | 113.5 | A92 D93 | A92-N340 PolarHBondContact O-ND2 2.98Å; A92-N340 VanDerWaalsContact O-ND2 3.07Å; D93-N340 WeakPolarHBondContact CA-ND2 3.46Å; D93-N340 PolarHBondContact O-N 2.89Å; D93-N340 PolarHBondContact O-OD1 3.5Å; D93-N340 PolarHBondContact OD1-ND2 2.82Å; D93-N340 VanDerWaalsContact OD1-ND2 3.12Å |
| 341 | S | 92.3 | Very high | 89.4 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | trans | -136.6 | 131.2 | -169.6 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | Y23 C339 K343 L344 A345 | Y23-S341 VanDerWaalsContact OH-CB 3.32Å; Y23-S341 WeakPolarHBondContact OH-CB 3.21Å; Y23-S341 PolarHBondContact OH-OG 2.94Å; Y23-S341 VanDerWaalsContact OH-OG 3.13Å; C339-S341 VanDerWaalsContact C-N 3.28Å; C339-S341 PolarHBondContact O-N 3.38Å; S341-K343 PolarHBondContact O-N 3.47Å; S341-K343 PolarHBondContact OG-N 2.95Å; S341-L344 PolarHBondContact O-N 3.01Å; S341-L344 PolarHBondContact OG-N 3.37Å; S341-A345 PolarHBondContact O-N 3.46Å; S341-A345 VanDerWaalsContact O-N 3.13Å | ||
| 342 | A | 90.8 | Very high | 90 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 35% | 0.347 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.4 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | W110 A345 E346 | W110-A342 VanDerWaalsContact CD1-N 3.27Å; W110-A342 HydrophobicContact CD2-CB 3.57Å; W110-A342 HydrophobicContact CE3-CB 3.79Å; W110-A342 HydrophobicContact CG-CB 4.13Å; W110-A342 HydrophobicContact CH2-CB 3.99Å; W110-A342 HydrophobicContact CZ2-CB 3.79Å; W110-A342 HydrophobicContact CZ3-CB 3.99Å; A342-A345 PolarHBondContact O-N 3.17Å; A342-E346 PolarHBondContact O-N 3.47Å |
| 343 | K | 90.2 | Very high | 90.3 | Very high | 104 Ų | 104 | 34.9 Ų | 34.9 | 45% | 0.452 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68.4 | -38.8 | -176.4 | -160.5 | -179.6 | -177.5 | -177.5 | 0 | 111 | P22 S341 E346 Y347 | P22-K343 HydrophobicContact CG-CD 4.29Å; S341-K343 PolarHBondContact O-N 3.47Å; S341-K343 PolarHBondContact OG-N 2.95Å; K343-E346 PolarHBondContact O-N 3.42Å; K343-Y347 HydrophobicContact CD-CE2 4.07Å; K343-Y347 WeakPolarHBondContact CE-OH 3.4Å; K343-Y347 HydrophobicContact CG-CD2 4.18Å; K343-Y347 HydrophobicContact CG-CE2 3.68Å; K343-Y347 WeakPolarHBondContact O-CD2 3.44Å; K343-Y347 PolarHBondContact O-N 3.24Å; K343-Y347 VanDerWaalsContact O-N 3.1Å |
| 344 | L | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 174.3 | -177.7 | 59.7 | 0 | 0 | 0 | 110.8 | F21 Y23 D93 L94 C339 S341 E346 Y347 L348 | F21-L344 HydrophobicContact CE1-CD1 4.3Å; F21-L344 HydrophobicContact CE2-CD1 4.19Å; F21-L344 HydrophobicContact CZ-CD1 3.49Å; F21-L344 VanDerWaalsContact CZ-CD1 3.49Å; Y23-L344 HydrophobicContact CD2-CD1 4.4Å; Y23-L344 HydrophobicContact CE2-CB 4.18Å; Y23-L344 HydrophobicContact CE2-CD1 4.13Å; D93-L344 HydrophobicContact CB-CD2 4.06Å; D93-L344 WeakPolarHBondContact O-CD2 3.4Å; L94-L344 HydrophobicContact CB-CD2 4.26Å; C339-L344 HydrophobicContact CB-CD2 4.43Å; S341-L344 PolarHBondContact O-N 3.01Å; S341-L344 PolarHBondContact OG-N 3.37Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 2.93Å; L344-Y347 PolarHBondContact O-N 3.48Å; L344-L348 HydrophobicContact CD1-CD1 4.31Å; L344-L348 HydrophobicContact CD1-CG 4.3Å; L344-L348 HydrophobicContact CG-CD1 4.01Å; L344-L348 HydrophobicContact CG-CG 4.43Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.42Å; L344-L348 PolarHBondContact O-N 3.03Å |
| 345 | A | 91.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | W110 C339 S341 A342 Y347 L348 N349 | W110-A345 HydrophobicContact CB-CB 4.13Å; C339-A345 HydrophobicContact CB-CB 4.36Å; S341-A345 PolarHBondContact O-N 3.46Å; S341-A345 VanDerWaalsContact O-N 3.13Å; A342-A345 PolarHBondContact O-N 3.17Å; A345-Y347 PolarHBondContact O-N 2.88Å; A345-L348 PolarHBondContact O-N 3.17Å; A345-N349 VanDerWaalsContact O-CB 3.28Å; A345-N349 WeakPolarHBondContact O-CB 3.4Å; A345-N349 PolarHBondContact O-N 3.07Å; A345-N349 PolarHBondContact O-ND2 2.93Å; A345-N349 VanDerWaalsContact O-ND2 3.15Å |
| 346 | E | 90 | Very high | 90.1 | Very high | 136 Ų | 136 | 33.7 Ų | 33.7 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.3 | -47.1 | 176.5 | -170.9 | -179.7 | 179.3 | 0 | 0 | 111.9 | A342 K343 L344 N349 V350 | A342-E346 PolarHBondContact O-N 3.47Å; K343-E346 PolarHBondContact O-N 3.42Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 2.93Å; E346-N349 PolarHBondContact O-N 3.43Å; E346-V350 PolarHBondContact O-N 2.73Å |
| 347 | Y | 89.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 34 Ų | 34 | 11% | 0.114 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -48.4 | 177.1 | -73.1 | -64.9 | 0 | 0 | 0 | 112.1 | V17 Q19 F21 P22 F68 K343 L344 A345 N349 V350 | V17-Y347 HydrophobicContact CG1-CD1 3.93Å; V17-Y347 HydrophobicContact CG1-CE1 4.22Å; Q19-Y347 PolarHBondContact O-OH 3.28Å; F21-Y347 HydrophobicContact CD2-CD1 4.03Å; F21-Y347 AromaticContact CD2-CD2 3.85Å; F21-Y347 HydrophobicContact CD2-CD2 3.85Å; F21-Y347 HydrophobicContact CD2-CE2 4.46Å; F21-Y347 AromaticContact CD2-CG 3.63Å; F21-Y347 HydrophobicContact CD2-CG 3.63Å; F21-Y347 VanDerWaalsContact CE2-CB 3.41Å; F21-Y347 AromaticContact CE2-CD2 3.99Å; F21-Y347 HydrophobicContact CE2-CD2 3.99Å; F21-Y347 AromaticContact CE2-CG 3.8Å; F21-Y347 HydrophobicContact CE2-CG 3.8Å; P22-Y347 HydrophobicContact CG-CE2 4.02Å; F68-Y347 WeakPolarHBondContact CZ-O 3.48Å; K343-Y347 HydrophobicContact CD-CE2 4.07Å; K343-Y347 WeakPolarHBondContact CE-OH 3.4Å; K343-Y347 HydrophobicContact CG-CD2 4.18Å; K343-Y347 HydrophobicContact CG-CE2 3.68Å; K343-Y347 WeakPolarHBondContact O-CD2 3.44Å; K343-Y347 PolarHBondContact O-N 3.24Å; K343-Y347 VanDerWaalsContact O-N 3.1Å; L344-Y347 PolarHBondContact O-N 3.48Å; A345-Y347 PolarHBondContact O-N 2.88Å; Y347-N349 PolarHBondContact O-N 3.32Å; Y347-V350 WeakPolarHBondContact O-CB 3.34Å; Y347-V350 PolarHBondContact O-N 3.09Å; Y347-V350 VanDerWaalsContact O-N 3.12Å |
| 348 | L | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -38.9 | 178.5 | -68.3 | 173.2 | 0 | 0 | 0 | 111.3 | I60 V63 V64 F68 L94 T112 L344 A345 V350 V351 I352 | I60-L348 HydrophobicContact CD1-CD2 4.44Å; V63-L348 HydrophobicContact CG1-CD2 3.62Å; V64-L348 HydrophobicContact CG2-CD2 4.32Å; F68-L348 HydrophobicContact CE2-CD2 4.26Å; L94-L348 HydrophobicContact CD1-CD1 3.64Å; L94-L348 HydrophobicContact CD2-CD1 3.97Å; L94-L348 HydrophobicContact CD2-CD2 4.47Å; L94-L348 HydrophobicContact CG-CD1 4.46Å; T112-L348 HydrophobicContact CG2-CB 3.97Å; T112-L348 HydrophobicContact CG2-CD1 3.97Å; L344-L348 HydrophobicContact CD1-CD1 4.31Å; L344-L348 HydrophobicContact CD1-CG 4.3Å; L344-L348 HydrophobicContact CG-CD1 4.01Å; L344-L348 HydrophobicContact CG-CG 4.43Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.42Å; L344-L348 PolarHBondContact O-N 3.03Å; A345-L348 PolarHBondContact O-N 3.17Å; L348-V350 VanDerWaalsContact C-N 3.28Å; L348-V350 PolarHBondContact O-N 2.94Å; L348-V351 PolarHBondContact O-N 3.5Å; L348-I352 HydrophobicContact CB-CD1 4.13Å; L348-I352 WeakPolarHBondContact O-CG1 3.46Å; L348-I352 PolarHBondContact O-N 3.38Å |
| 349 | N | 90.7 | Very high | 89.1 | Confident | 29 Ų | 29 | 43.4 Ų | 43.4 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -30.5 | 179.5 | -75.7 | -19.2 | 0 | 0 | 0 | 113.8 | T112 N113 A345 E346 Y347 V351 L353 | T112-N349 WeakPolarHBondContact CA-OD1 3.37Å; T112-N349 WeakPolarHBondContact CB-OD1 3.41Å; N113-N349 PolarHBondContact N-OD1 2.97Å; A345-N349 VanDerWaalsContact O-CB 3.28Å; A345-N349 WeakPolarHBondContact O-CB 3.4Å; A345-N349 PolarHBondContact O-N 3.07Å; A345-N349 PolarHBondContact O-ND2 2.93Å; A345-N349 VanDerWaalsContact O-ND2 3.15Å; E346-N349 PolarHBondContact O-N 3.43Å; Y347-N349 PolarHBondContact O-N 3.32Å; N349-V351 PolarHBondContact O-N 3.26Å; N349-L353 VanDerWaalsContact O-CB 3.27Å; N349-L353 WeakPolarHBondContact O-CB 3.4Å; N349-L353 WeakPolarHBondContact O-CD1 3.36Å; N349-L353 VanDerWaalsContact O-CG 3.25Å; N349-L353 WeakPolarHBondContact O-CG 3.32Å; N349-L353 PolarHBondContact O-N 2.88Å; N349-L353 VanDerWaalsContact O-N 3.1Å |
| 350 | V | 87 | Confident | 88.8 | Confident | 60 Ų | 60 | 44.2 Ų | 44.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -33 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | V17 E346 Y347 L348 | V17-V350 HydrophobicContact CG2-CG1 3.78Å; E346-V350 PolarHBondContact O-N 2.73Å; Y347-V350 WeakPolarHBondContact O-CB 3.34Å; Y347-V350 PolarHBondContact O-N 3.09Å; Y347-V350 VanDerWaalsContact O-N 3.12Å; L348-V350 VanDerWaalsContact C-N 3.28Å; L348-V350 PolarHBondContact O-N 2.94Å |
| 351 | V | 87 | Confident | 88.6 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -86.6 | -48.4 | 179.8 | -177.1 | 0 | 0 | 0 | 0 | 111 | V63 V67 F68 L348 N349 L353 S354 F357 | V63-V351 HydrophobicContact CG1-CB 4.15Å; V63-V351 HydrophobicContact CG1-CG1 4.1Å; V63-V351 HydrophobicContact CG1-CG2 4.44Å; V63-V351 HydrophobicContact CG2-CG1 4.09Å; V67-V351 HydrophobicContact CG1-CG1 4.42Å; V67-V351 HydrophobicContact CG1-CG2 3.88Å; V67-V351 HydrophobicContact CG2-CG1 4.3Å; F68-V351 HydrophobicContact CE1-CG2 4.44Å; F68-V351 HydrophobicContact CE2-CG2 3.71Å; F68-V351 HydrophobicContact CZ-CG2 3.54Å; L348-V351 PolarHBondContact O-N 3.5Å; N349-V351 PolarHBondContact O-N 3.26Å; V351-L353 VanDerWaalsContact C-N 3.28Å; V351-L353 PolarHBondContact O-N 3.01Å; V351-S354 VanDerWaalsContact O-CB 3.27Å; V351-S354 WeakPolarHBondContact O-CB 3.36Å; V351-S354 PolarHBondContact O-N 3.38Å; V351-S354 PolarHBondContact O-OG 3.09Å; V351-F357 HydrophobicContact CG1-CB 4.49Å; V351-F357 HydrophobicContact CG1-CD1 3.88Å; V351-F357 HydrophobicContact CG1-CD2 3.5Å; V351-F357 HydrophobicContact CG1-CE1 3.97Å; V351-F357 HydrophobicContact CG1-CE2 3.59Å; V351-F357 HydrophobicContact CG1-CG 3.66Å; V351-F357 HydrophobicContact CG1-CZ 3.85Å |
| 352 | I | 88.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -34.2 | -176.2 | -70.5 | 170.3 | 0 | 0 | 0 | 112.2 | F59 T112 N113 V115 L348 S354 Q358 | F59-I352 HydrophobicContact CE1-CG1 4.18Å; F59-I352 HydrophobicContact CZ-CG1 4.22Å; T112-I352 HydrophobicContact CG2-CD1 3.56Å; N113-I352 HydrophobicContact CB-CG2 4.46Å; V115-I352 HydrophobicContact CG2-CD1 4.39Å; V115-I352 HydrophobicContact CG2-CG2 3.89Å; L348-I352 HydrophobicContact CB-CD1 4.13Å; L348-I352 WeakPolarHBondContact O-CG1 3.46Å; L348-I352 PolarHBondContact O-N 3.38Å; I352-S354 PolarHBondContact O-N 3.35Å; I352-Q358 WeakPolarHBondContact O-CG 3.46Å |
| 353 | L | 86.9 | Confident | 88.1 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 54% | 0.539 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10.3 | 176.6 | -75.2 | 173.3 | 0 | 0 | 0 | 114 | N113 N349 V351 | N113-L353 HydrophobicContact CB-CD2 3.93Å; N113-L353 HydrophobicContact CB-CG 4.28Å; N113-L353 VanDerWaalsContact ND2-CD1 3.31Å; N113-L353 WeakPolarHBondContact ND2-CD1 3.43Å; N113-L353 WeakPolarHBondContact ND2-CD2 3.34Å; N113-L353 VanDerWaalsContact ND2-CG 3.33Å; N113-L353 WeakPolarHBondContact ND2-CG 3.47Å; N349-L353 VanDerWaalsContact O-CB 3.27Å; N349-L353 WeakPolarHBondContact O-CB 3.4Å; N349-L353 WeakPolarHBondContact O-CD1 3.36Å; N349-L353 VanDerWaalsContact O-CG 3.25Å; N349-L353 WeakPolarHBondContact O-CG 3.32Å; N349-L353 PolarHBondContact O-N 2.88Å; N349-L353 VanDerWaalsContact O-N 3.1Å; V351-L353 VanDerWaalsContact C-N 3.28Å; V351-L353 PolarHBondContact O-N 3.01Å |
| 354 | S | 87 | Confident | 87.9 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -72.7 | 135.3 | 176.4 | 76.3 | 0 | 0 | 0 | 0 | 110.6 | C11 V351 I352 S356 F357 Q358 | C11-S354 WeakPolarHBondContact SG-CB 3.5Å; V351-S354 VanDerWaalsContact O-CB 3.27Å; V351-S354 WeakPolarHBondContact O-CB 3.36Å; V351-S354 PolarHBondContact O-N 3.38Å; V351-S354 PolarHBondContact O-OG 3.09Å; I352-S354 PolarHBondContact O-N 3.35Å; S354-S356 PolarHBondContact O-N 3.4Å; S354-S356 VanDerWaalsContact O-N 3.16Å; S354-F357 PolarHBondContact O-N 3.38Å; S354-F357 WeakPolarHBondContact OG-CD2 3.11Å; S354-F357 PolarHBondContact OG-N 2.96Å; S354-Q358 PolarHBondContact O-N 3.43Å |
| 355 | S | 83.2 | Confident | 87.5 | Confident | 89 Ų | 89 | 45.2 Ų | 45.2 | 62% | 0.622 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -55.7 | -35 | 178.3 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | Q358 Q359 | S355-Q358 PolarHBondContact O-N 3.29Å; S355-Q359 WeakPolarHBondContact O-CB 3.35Å; S355-Q359 PolarHBondContact O-N 3.29Å |
| 356 | S | 86 | Confident | 87 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 176.2 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | L10 S354 L360 | L10-S356 WeakPolarHBondContact CD2-OG 3.28Å; L10-S356 PolarHBondContact O-OG 3.34Å; S354-S356 PolarHBondContact O-N 3.4Å; S354-S356 VanDerWaalsContact O-N 3.16Å; S356-L360 PolarHBondContact O-N 3Å |
| 357 | F | 87 | Confident | 86.6 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -77.9 | -34.8 | 179.9 | -89.5 | -93.3 | 0 | 0 | 0 | 111.9 | F59 V63 V67 V351 S354 Q359 L360 A361 | F59-F357 HydrophobicContact CE2-CB 4.16Å; F59-F357 AromaticContact CE2-CD1 3.76Å; F59-F357 HydrophobicContact CE2-CD1 3.76Å; F59-F357 HydrophobicContact CE2-CG 4.48Å; F59-F357 VanDerWaalsContact CE2-O 3.27Å; F59-F357 WeakPolarHBondContact CE2-O 3.35Å; F59-F357 HydrophobicContact CZ-CB 4.35Å; F59-F357 HydrophobicContact CZ-CD1 4.15Å; V63-F357 HydrophobicContact CG2-CD1 3.65Å; V63-F357 HydrophobicContact CG2-CE1 3.54Å; V67-F357 HydrophobicContact CG2-CE1 4.16Å; V67-F357 HydrophobicContact CG2-CE2 3.87Å; V67-F357 HydrophobicContact CG2-CZ 3.29Å; V351-F357 HydrophobicContact CG1-CB 4.49Å; V351-F357 HydrophobicContact CG1-CD1 3.88Å; V351-F357 HydrophobicContact CG1-CD2 3.5Å; V351-F357 HydrophobicContact CG1-CE1 3.97Å; V351-F357 HydrophobicContact CG1-CE2 3.59Å; V351-F357 HydrophobicContact CG1-CG 3.66Å; V351-F357 HydrophobicContact CG1-CZ 3.85Å; S354-F357 PolarHBondContact O-N 3.38Å; S354-F357 WeakPolarHBondContact OG-CD2 3.11Å; S354-F357 PolarHBondContact OG-N 2.96Å; F357-Q359 VanDerWaalsContact C-N 3.26Å; F357-Q359 PolarHBondContact O-N 2.97Å; F357-L360 HydrophobicContact CD1-CD2 3.89Å; F357-L360 HydrophobicContact CE1-CD2 3.79Å; F357-L360 WeakPolarHBondContact O-CB 3.45Å; F357-L360 PolarHBondContact O-N 3.39Å; F357-L360 VanDerWaalsContact O-N 3.17Å; F357-A361 PolarHBondContact O-N 3.47Å |
| 358 | Q | 84.8 | Confident | 86.1 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 170.4 | -69.1 | -171.6 | -32.8 | 0 | 0 | 111.2 | I352 S354 S355 L360 A361 Y362 | I352-Q358 WeakPolarHBondContact O-CG 3.46Å; S354-Q358 PolarHBondContact O-N 3.43Å; S355-Q358 PolarHBondContact O-N 3.29Å; Q358-L360 PolarHBondContact O-N 3.23Å; Q358-A361 WeakPolarHBondContact O-CB 3.45Å; Q358-A361 PolarHBondContact O-N 3.41Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.27Å; Q358-Y362 PolarHBondContact O-N 3.05Å |
| 359 | Q | 86.9 | Confident | 85.4 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.6 | -35.3 | 177.2 | -164.1 | 168.4 | 9.9 | 0 | 0 | 112.6 | S355 F357 A361 Y362 Q363 | S355-Q359 WeakPolarHBondContact O-CB 3.35Å; S355-Q359 PolarHBondContact O-N 3.29Å; F357-Q359 VanDerWaalsContact C-N 3.26Å; F357-Q359 PolarHBondContact O-N 2.97Å; Q359-A361 VanDerWaalsContact C-N 3.32Å; Q359-A361 PolarHBondContact O-N 3.17Å; Q359-Y362 PolarHBondContact O-N 3.44Å; Q359-Q363 WeakPolarHBondContact O-CG 3.33Å; Q359-Q363 PolarHBondContact O-N 2.92Å |
| 360 | L | 88.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 173.7 | -179.6 | 65.5 | 0 | 0 | 0 | 111.8 | L4 F59 S356 F357 Q358 Y362 Q363 L364 | L4-L360 HydrophobicContact CD1-CD2 3.96Å; F59-L360 HydrophobicContact CD2-CD2 4.25Å; F59-L360 HydrophobicContact CD2-CG 4.34Å; S356-L360 PolarHBondContact O-N 3Å; F357-L360 HydrophobicContact CD1-CD2 3.89Å; F357-L360 HydrophobicContact CE1-CD2 3.79Å; F357-L360 WeakPolarHBondContact O-CB 3.45Å; F357-L360 PolarHBondContact O-N 3.39Å; F357-L360 VanDerWaalsContact O-N 3.17Å; Q358-L360 PolarHBondContact O-N 3.23Å; L360-Y362 PolarHBondContact O-N 3.01Å; L360-Q363 PolarHBondContact O-N 3.42Å; L360-L364 HydrophobicContact CD1-CD1 4.16Å; L360-L364 HydrophobicContact CD1-CG 4.06Å; L360-L364 HydrophobicContact CD2-CD1 4.46Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 HydrophobicContact CG-CG 4.23Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 3.45Å |
| 361 | A | 88 | Confident | 82.9 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F59 V115 V116 F357 Q358 Q359 Q363 L364 L365 | F59-A361 HydrophobicContact CD2-CB 3.98Å; F59-A361 HydrophobicContact CE2-CB 3.93Å; V115-A361 HydrophobicContact CG1-CB 3.67Å; V116-A361 HydrophobicContact CG2-CB 4.11Å; F357-A361 PolarHBondContact O-N 3.47Å; Q358-A361 WeakPolarHBondContact O-CB 3.45Å; Q358-A361 PolarHBondContact O-N 3.41Å; Q359-A361 VanDerWaalsContact C-N 3.32Å; Q359-A361 PolarHBondContact O-N 3.17Å; A361-Q363 PolarHBondContact O-N 3.37Å; A361-L364 PolarHBondContact O-N 2.9Å; A361-L365 PolarHBondContact O-N 2.88Å |
| 362 | Y | 86 | Confident | 81.3 | Confident | 111 Ų | 111 | 54.6 Ų | 54.6 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.3 | -68.9 | -75 | 0 | 0 | 0 | 113 | V116 Q358 Q359 L360 L365 E366 | V116-Y362 HydrophobicContact CG1-CE1 4Å; Q358-Y362 WeakPolarHBondContact O-CD2 3.27Å; Q358-Y362 PolarHBondContact O-N 3.05Å; Q359-Y362 PolarHBondContact O-N 3.44Å; L360-Y362 PolarHBondContact O-N 3.01Å; Y362-L365 WeakPolarHBondContact O-CB 3.4Å; Y362-L365 PolarHBondContact O-N 2.88Å; Y362-E366 PolarHBondContact O-N 3.32Å |
| 363 | Q | 86.7 | Confident | 79.5 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 176.9 | -75.6 | 179.8 | -11.8 | 0 | 0 | 112.7 | Q359 L360 A361 K367 | Q359-Q363 WeakPolarHBondContact O-CG 3.33Å; Q359-Q363 PolarHBondContact O-N 2.92Å; L360-Q363 PolarHBondContact O-N 3.42Å; A361-Q363 PolarHBondContact O-N 3.37Å; Q363-K367 VanDerWaalsContact O-CB 3.26Å; Q363-K367 WeakPolarHBondContact O-CB 3.4Å; Q363-K367 PolarHBondContact O-N 2.89Å |
| 364 | L | 86.2 | Confident | 77.5 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 176.4 | -71.2 | 175.1 | 0 | 0 | 0 | 111 | A55 E58 F59 L360 A361 K367 Y368 | A55-L364 HydrophobicContact CB-CB 4.36Å; E58-L364 HydrophobicContact CB-CD1 4.21Å; E58-L364 HydrophobicContact CB-CD2 4.32Å; E58-L364 HydrophobicContact CG-CD1 4.32Å; E58-L364 HydrophobicContact CG-CD2 4Å; E58-L364 WeakPolarHBondContact OE2-CD2 3.01Å; F59-L364 HydrophobicContact CB-CD1 3.78Å; F59-L364 HydrophobicContact CD2-CD1 4.38Å; L360-L364 HydrophobicContact CD1-CD1 4.16Å; L360-L364 HydrophobicContact CD1-CG 4.06Å; L360-L364 HydrophobicContact CD2-CD1 4.46Å; L360-L364 HydrophobicContact CG-CD1 3.92Å; L360-L364 HydrophobicContact CG-CG 4.23Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 3.45Å; A361-L364 PolarHBondContact O-N 2.9Å; L364-K367 HydrophobicContact CD2-CD 4.31Å; L364-K367 PolarHBondContact O-N 2.85Å; L364-Y368 HydrophobicContact CD2-CE2 4.35Å; L364-Y368 WeakPolarHBondContact O-CD2 3.4Å; L364-Y368 PolarHBondContact O-N 3.49Å |
| 365 | L | 83.6 | Confident | 75.7 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55 | -54.1 | 171.8 | -86.2 | 157.4 | 0 | 0 | 0 | 111.6 | Y36 A55 V116 E309 A361 Y362 K367 Y368 N369 | Y36-L365 HydrophobicContact CE1-CD2 4.14Å; A55-L365 HydrophobicContact CB-CD2 4.08Å; A55-L365 HydrophobicContact CB-CG 3.98Å; V116-L365 HydrophobicContact CG1-CD1 4.19Å; V116-L365 HydrophobicContact CG2-CD1 3.86Å; E309-L365 HydrophobicContact CG-CD2 4.15Å; E309-L365 WeakPolarHBondContact OE2-CD1 3.47Å; E309-L365 WeakPolarHBondContact OE2-CD2 3.42Å; A361-L365 PolarHBondContact O-N 2.88Å; Y362-L365 WeakPolarHBondContact O-CB 3.4Å; Y362-L365 PolarHBondContact O-N 2.88Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 3.39Å; L365-Y368 PolarHBondContact O-N 3.44Å; L365-N369 VanDerWaalsContact O-CB 3.3Å; L365-N369 WeakPolarHBondContact O-CB 3.25Å; L365-N369 PolarHBondContact O-N 3.28Å; L365-N369 PolarHBondContact O-ND2 3.09Å |
| 366 | E | 81.3 | Confident | 74.2 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 178.7 | -172.5 | 179.4 | -175.6 | 0 | 0 | 111.8 | Y362 Y368 N369 M370 | Y362-E366 PolarHBondContact O-N 3.32Å; E366-Y368 PolarHBondContact O-N 2.91Å; E366-N369 PolarHBondContact O-N 2.91Å; E366-M370 HydrophobicContact CG-CE 4.31Å; E366-M370 WeakPolarHBondContact O-CB 3.39Å; E366-M370 VanDerWaalsContact O-CG 3.27Å; E366-M370 WeakPolarHBondContact O-CG 3.46Å; E366-M370 PolarHBondContact O-N 3.24Å |
| 367 | K | 81.9 | Confident | 72.9 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 177.2 | 175 | -169.3 | 168.1 | -158.8 | 0 | 111.9 | E58 Q363 L364 L365 A371 | E58-K367 IonicContact OE1-NZ 3.55Å; E58-K367 PolarHBondContact OE1-NZ 3.28Å; E58-K367 VanDerWaalsContact OE1-NZ 3.14Å; E58-K367 IonicContact OE2-NZ 3.78Å; E58-K367 PolarHBondContact OE2-NZ 2.97Å; Q363-K367 VanDerWaalsContact O-CB 3.26Å; Q363-K367 WeakPolarHBondContact O-CB 3.4Å; Q363-K367 PolarHBondContact O-N 2.89Å; L364-K367 HydrophobicContact CD2-CD 4.31Å; L364-K367 PolarHBondContact O-N 2.85Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-K367 PolarHBondContact O-N 3.39Å; K367-A371 WeakPolarHBondContact O-CB 3.36Å; K367-A371 PolarHBondContact O-N 3.22Å; K367-A371 VanDerWaalsContact O-N 3.1Å |
| 368 | Y | 79.4 | Confident | 71.3 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -78.8 | -27.9 | -175.6 | -77.7 | -69.9 | 0 | 0 | 0 | 113.5 | G52 P53 G54 A55 E58 L364 L365 E366 | G52-Y368 PolarHBondContact O-OH 3.41Å; P53-Y368 WeakPolarHBondContact CA-OH 3.1Å; P53-Y368 HydrophobicContact CB-CE1 4.03Å; G54-Y368 VanDerWaalsContact C-CD2 3.48Å; G54-Y368 VanDerWaalsContact C-CE2 3.46Å; G54-Y368 WeakPolarHBondContact O-CE2 3.5Å; A55-Y368 HydrophobicContact CB-CD2 4.12Å; A55-Y368 VanDerWaalsContact N-CD2 3.32Å; E58-Y368 HydrophobicContact CB-CE2 4.3Å; E58-Y368 WeakPolarHBondContact OE2-CE2 3.29Å; E58-Y368 PolarHBondContact OE2-OH 2.85Å; L364-Y368 HydrophobicContact CD2-CE2 4.35Å; L364-Y368 WeakPolarHBondContact O-CD2 3.4Å; L364-Y368 PolarHBondContact O-N 3.49Å; L365-Y368 PolarHBondContact O-N 3.44Å; E366-Y368 PolarHBondContact O-N 2.91Å |
| 369 | N | 76.8 | Confident | 69.8 | Low | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 170.8 | -72.6 | -15.5 | 0 | 0 | 0 | 111.2 | P35 E309 F313 S316 R317 L365 E366 | P35-N369 WeakPolarHBondContact CB-OD1 3.45Å; P35-N369 WeakPolarHBondContact CG-OD1 3.35Å; E309-N369 PolarHBondContact O-ND2 2.87Å; F313-N369 HydrophobicContact CB-CB 4.27Å; S316-N369 PolarHBondContact OG-O 3.02Å; R317-N369 PolarHBondContact NH1-O 3.32Å; L365-N369 VanDerWaalsContact O-CB 3.3Å; L365-N369 WeakPolarHBondContact O-CB 3.25Å; L365-N369 PolarHBondContact O-N 3.28Å; L365-N369 PolarHBondContact O-ND2 3.09Å; E366-N369 PolarHBondContact O-N 2.91Å |
| 370 | M | 68.4 | Low | 67.8 | Low | 75 Ų | 75 | 68 Ų | 68 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -88.3 | -5.4 | -175.3 | -63.1 | -112.5 | -144.5 | 0 | 0 | 115.1 | E366 N372 L373 | E366-M370 HydrophobicContact CG-CE 4.31Å; E366-M370 WeakPolarHBondContact O-CB 3.39Å; E366-M370 VanDerWaalsContact O-CG 3.27Å; E366-M370 WeakPolarHBondContact O-CG 3.46Å; E366-M370 PolarHBondContact O-N 3.24Å; M370-N372 PolarHBondContact O-N 3.01Å; M370-L373 PolarHBondContact O-N 3.34Å |
| 371 | A | 56.6 | Low | 65.5 | Low | 64 Ų | 64 | 75.9 Ų | 75.9 | 53% | 0.529 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K367 | K367-A371 WeakPolarHBondContact O-CB 3.36Å; K367-A371 PolarHBondContact O-N 3.22Å; K367-A371 VanDerWaalsContact O-N 3.1Å |
| 372 | N | 52.4 | Low | 63.4 | Low | 85 Ų | 85 | 82.3 Ų | 82.3 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 55.9 | 176.8 | -90.3 | -3.6 | 0 | 0 | 0 | 112.5 | M370 T374 | M370-N372 PolarHBondContact O-N 3.01Å; N372-T374 PolarHBondContact O-N 2.63Å |
| 373 | L | 51.2 | Low | 61.3 | Low | 113 Ų | 113 | 81.4 Ų | 81.4 | 59% | 0.592 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 7.2 | 166.6 | -81.8 | 162.5 | 0 | 0 | 0 | 114.4 | M370 H375 | M370-L373 PolarHBondContact O-N 3.34Å; L373-H375 PolarHBondContact O-N 3.32Å |
| 374 | T | 45.6 | Very low | 59.2 | Low | 124 Ų | 124 | 80.9 Ų | 80.9 | 76% | 0.761 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.1 | 174.4 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | N372 T376 | N372-T374 PolarHBondContact O-N 2.63Å; T374-T376 PolarHBondContact O-N 3.3Å |
| 375 | H | 49.7 | Very low | 57.2 | Low | 122 Ų | 122 | 87.7 Ų | 87.7 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -92.5 | 80.7 | 170.7 | -124.5 | -82.8 | 0 | 0 | 0 | 110 | L373 C377 | L373-H375 PolarHBondContact O-N 3.32Å; H375-C377 PolarHBondContact O-N 3.38Å |
| 376 | T | 51 | Low | 55.6 | Low | 93 Ų | 93 | 90.9 Ų | 90.9 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | trans | -75.6 | 111.8 | 170.7 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | T374 A378 | T374-T376 PolarHBondContact O-N 3.3Å; T376-A378 PolarHBondContact O-N 3.49Å; T376-A378 VanDerWaalsContact O-N 3.12Å | ||
| 377 | C | 59.4 | Low | 54.3 | Low | 10 Ų | 10 | 92.8 Ų | 92.8 | 7% | 0.068 | 50% | 0.501 | C | S | . | . | trans | -61 | 115.3 | 171.8 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | C319 H375 E379 D380 | C319-C377 WeakPolarHBondContact CA-SG 3.32Å; C319-C377 HydrophobicContact CB-CB 3.67Å; C319-C377 WeakPolarHBondContact CB-SG 3.2Å; C319-C377 WeakPolarHBondContact SG-CA 3.23Å; C319-C377 WeakPolarHBondContact SG-CB 3.41Å; C319-C377 CovalentContact SG-SG 2.03Å; C319-C377 PolarHBondContact SG-SG 2.98Å; H375-C377 PolarHBondContact O-N 3.38Å; C377-E379 PolarHBondContact O-N 2.92Å; C377-D380 PolarHBondContact O-N 3.38Å | ||
| 378 | A | 53.2 | Low | 53.1 | Low | 73 Ų | 73 | 94.7 Ų | 94.7 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T376 | T376-A378 PolarHBondContact O-N 3.49Å; T376-A378 VanDerWaalsContact O-N 3.12Å |
| 379 | E | 53.5 | Low | 52 | Low | 75 Ų | 75 | 95.3 Ų | 95.3 | 35% | 0.35 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.6 | -177.9 | -61.7 | -167.9 | 143.4 | 0 | 0 | 113.4 | R126 L128 C377 Y381 R382 | R126-E379 IonicContact CZ-OE2 3.81Å; R126-E379 IonicContact NH2-OE2 2.73Å; R126-E379 PolarHBondContact NH2-OE2 3.49Å; L128-E379 VanDerWaalsContact CD1-OE1 3.26Å; L128-E379 WeakPolarHBondContact CD1-OE1 3.39Å; L128-E379 VanDerWaalsContact CD1-OE2 3.22Å; L128-E379 WeakPolarHBondContact CD1-OE2 3.28Å; C377-E379 PolarHBondContact O-N 2.92Å; E379-Y381 PolarHBondContact O-N 2.9Å; E379-R382 PolarHBondContact O-N 3.47Å |
| 380 | D | 45 | Very low | 51.2 | Low | 113 Ų | 113 | 101.2 Ų | 101.2 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -21.4 | 178.7 | -68.8 | -26.3 | 0 | 0 | 0 | 112.6 | C377 P383 | C377-D380 PolarHBondContact O-N 3.38Å; D380-P383 WeakPolarHBondContact O-CD 3.46Å |
| 381 | Y | 39 | Very low | 50.8 | Low | 183 Ų | 183 | 98.6 Ų | 98.6 | 72% | 0.718 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 6.7 | 178.1 | -72.3 | -84.3 | 0 | 0 | 0 | 114.5 | E379 P383 | E379-Y381 PolarHBondContact O-N 2.9Å; Y381-P383 WeakPolarHBondContact O-CD 3.26Å |
| 382 | R | 44.7 | Very low | 51.1 | Low | 141 Ų | 141 | 96.2 Ų | 96.2 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -72.5 | -4.2 | 168.6 | -84.3 | -176.5 | -179.5 | 160.8 | -0.7 | 117.6 | E379 A384 | E379-R382 PolarHBondContact O-N 3.47Å; R382-A384 PolarHBondContact O-N 2.86Å |
| 383 | P | 41.3 | Very low | 51.8 | Low | 91 Ų | 91 | 94.3 Ų | 94.3 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -70.9 | -3.3 | -175.8 | 22.9 | -24 | 0 | 0 | 0 | 115.1 | D380 Y381 M386 | D380-P383 WeakPolarHBondContact O-CD 3.46Å; Y381-P383 WeakPolarHBondContact O-CD 3.26Å; P383-M386 HydrophobicContact CB-CE 4.34Å |
| 384 | A | 43.3 | Very low | 52.8 | Low | 86 Ų | 86 | 93.3 Ų | 93.3 | 71% | 0.711 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -94.1 | -26.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R382 | R382-A384 PolarHBondContact O-N 2.86Š|
| 385 | N | 43.3 | Very low | 54 | Low | 147 Ų | 147 | 89.2 Ų | 89.2 | 79% | 0.786 | 48% | 0.478 | S | S | * | . | trans | -127.1 | 66.8 | -177.6 | -72.3 | -18.3 | 0 | 0 | 0 | 109.9 | D387 | N385-D387 PolarHBondContact O-N 3.26Š| ||
| 386 | M | 51.3 | Low | 55.2 | Low | 75 Ų | 75 | 85.7 Ų | 85.7 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | trans | -84.3 | 99.7 | 174.4 | -64.4 | -123.4 | -160.9 | 0 | 0 | 109.1 | V215 K217 P383 L388 | V215-M386 WeakPolarHBondContact O-CE 3.35Å; K217-M386 HydrophobicContact CG-SD 4.24Å; P383-M386 HydrophobicContact CB-CE 4.34Å; M386-L388 PolarHBondContact O-N 3.34Å | ||
| 387 | D | 53.8 | Low | 56.6 | Low | 156 Ų | 156 | 87.6 Ų | 87.6 | 83% | 0.834 | 47% | 0.471 | S | S | * | . | trans | -55.7 | 129 | 165.7 | -75.3 | -35.7 | 0 | 0 | 0 | 109.2 | N385 N389 | N385-D387 PolarHBondContact O-N 3.26Å; D387-N389 PolarHBondContact O-N 3.29Å | ||
| 388 | L | 55.8 | Low | 57.7 | Low | 119 Ų | 119 | 92.7 Ų | 92.7 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | trans | -59.8 | 112.5 | 177.3 | -137.1 | 111.8 | 0 | 0 | 0 | 108 | M386 I390 T393 | M386-L388 PolarHBondContact O-N 3.34Å; L388-I390 PolarHBondContact O-N 2.85Å; L388-T393 HydrophobicContact CD2-CG2 3.96Å | ||
| 389 | N | 56.8 | Low | 59.1 | Low | 50 Ų | 50 | 94 Ų | 94 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | trans | -69 | 107.4 | -176.3 | -162 | -24.5 | 0 | 0 | 0 | 109.1 | D130 S132 D387 G391 K392 | D130-N389 PolarHBondContact OD1-ND2 3.03Å; D130-N389 PolarHBondContact OD2-ND2 2.82Å; D130-N389 VanDerWaalsContact OD2-ND2 3.09Å; S132-N389 WeakPolarHBondContact CB-ND2 3.42Å; S132-N389 PolarHBondContact OG-ND2 3.45Å; D387-N389 PolarHBondContact O-N 3.29Å; N389-G391 PolarHBondContact O-N 3.29Å; N389-G391 VanDerWaalsContact O-N 3.08Å; N389-K392 HydrophobicContact CB-CG 4.33Å; N389-K392 WeakPolarHBondContact O-CB 3.46Å; N389-K392 PolarHBondContact O-N 3.01Å | ||
| 390 | I | 59.6 | Low | 60.6 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 67% | 0.672 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -52.9 | -35.2 | -174 | -69 | 164.7 | 0 | 0 | 0 | 111 | L388 K392 T393 Q394 | L388-I390 PolarHBondContact O-N 2.85Å; I390-K392 PolarHBondContact O-N 3.37Å; I390-T393 PolarHBondContact O-N 3.12Å; I390-T393 PolarHBondContact O-OG1 3.26Å; I390-Q394 PolarHBondContact O-N 3.49Å |
| 391 | G | 60.8 | Low | 62.7 | Low | 20 Ų | 20 | 94.1 Ų | 94.1 | 21% | 0.206 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -53.1 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N389 T393 Q394 | N389-G391 PolarHBondContact O-N 3.29Å; N389-G391 VanDerWaalsContact O-N 3.08Å; G391-T393 VanDerWaalsContact C-N 3.31Å; G391-T393 PolarHBondContact O-N 3.24Å; G391-Q394 WeakPolarHBondContact O-CB 3.18Å; G391-Q394 PolarHBondContact O-N 2.91Å |
| 392 | K | 61.6 | Low | 65 | Low | 14 Ų | 14 | 88.1 Ų | 88.1 | 6% | 0.061 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -70.3 | -22.4 | 179.6 | -63.1 | -169.3 | 177.1 | 177.3 | 0 | 113.7 | F135 G213 L214 E216 N389 I390 | F135-K392 HydrophobicContact CB-CD 4.43Å; F135-K392 HydrophobicContact CB-CG 3.93Å; F135-K392 HydrophobicContact CD1-CB 4.05Å; F135-K392 HydrophobicContact CD1-CD 3.9Å; F135-K392 HydrophobicContact CD1-CG 3.93Å; F135-K392 HydrophobicContact CD2-CD 4.37Å; F135-K392 HydrophobicContact CE1-CD 4.14Å; F135-K392 HydrophobicContact CG-CD 3.99Å; F135-K392 HydrophobicContact CG-CG 3.98Å; F135-K392 HydrophobicContact CZ-CD 4.44Å; G213-K392 PolarHBondContact O-NZ 2.73Å; L214-K392 HydrophobicContact CD2-CB 3.94Å; L214-K392 HydrophobicContact CD2-CD 3.79Å; L214-K392 PolarHBondContact O-NZ 2.83Å; E216-K392 PolarHBondContact O-NZ 2.85Å; N389-K392 HydrophobicContact CB-CG 4.33Å; N389-K392 WeakPolarHBondContact O-CB 3.46Å; N389-K392 PolarHBondContact O-N 3.01Å; I390-K392 PolarHBondContact O-N 3.37Å |
| 393 | T | 68 | Low | 67 | Low | 44 Ų | 44 | 83.6 Ų | 83.6 | 27% | 0.27 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -97 | -15.8 | 178.9 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | L388 I390 G391 D395 A396 F397 | L388-T393 HydrophobicContact CD2-CG2 3.96Å; I390-T393 PolarHBondContact O-N 3.12Å; I390-T393 PolarHBondContact O-OG1 3.26Å; G391-T393 VanDerWaalsContact C-N 3.31Å; G391-T393 PolarHBondContact O-N 3.24Å; T393-D395 VanDerWaalsContact C-N 3.28Å; T393-D395 PolarHBondContact O-N 2.73Å; T393-A396 WeakPolarHBondContact O-CB 3.44Å; T393-A396 PolarHBondContact O-N 2.98Å; T393-A396 VanDerWaalsContact O-N 3.16Å; T393-F397 VanDerWaalsContact O-CD2 3.24Å; T393-F397 WeakPolarHBondContact O-CD2 3.49Å |
| 394 | Q | 72.7 | Confident | 69.3 | Low | 92 Ų | 92 | 88.5 Ų | 88.5 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -37 | -176.1 | -165.9 | 177.8 | -23.7 | 0 | 0 | 112.9 | I390 G391 A396 F397 F398 | I390-Q394 PolarHBondContact O-N 3.49Å; G391-Q394 WeakPolarHBondContact O-CB 3.18Å; G391-Q394 PolarHBondContact O-N 2.91Å; Q394-A396 VanDerWaalsContact C-N 3.32Å; Q394-A396 PolarHBondContact O-N 3.43Å; Q394-F397 WeakPolarHBondContact O-CB 3.4Å; Q394-F397 PolarHBondContact O-N 2.89Å; Q394-F397 VanDerWaalsContact O-N 3.12Å; Q394-F398 HydrophobicContact CG-CD2 4.11Å; Q394-F398 HydrophobicContact CG-CE2 3.57Å; Q394-F398 HydrophobicContact CG-CZ 3.99Å; Q394-F398 VanDerWaalsContact NE2-CE2 3.29Å; Q394-F398 WeakPolarHBondContact O-CD2 3.2Å; Q394-F398 PolarHBondContact O-N 2.79Å |
| 395 | D | 70.9 | Confident | 71.6 | Confident | 38 Ų | 38 | 89.2 Ų | 89.2 | 20% | 0.203 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.9 | -32.3 | 179.4 | -70.3 | -22.1 | 0 | 0 | 0 | 113.9 | H136 T393 F397 F398 T399 | H136-D395 WeakPolarHBondContact CA-OD2 3.34Å; H136-D395 IonicContact CE1-OD2 3.61Å; H136-D395 IonicContact CG-OD2 3.67Å; H136-D395 IonicContact ND1-OD1 3.98Å; H136-D395 IonicContact ND1-OD2 2.69Å; H136-D395 PolarHBondContact ND1-OD2 2.98Å; T393-D395 VanDerWaalsContact C-N 3.28Å; T393-D395 PolarHBondContact O-N 2.73Å; D395-F397 VanDerWaalsContact C-N 3.32Å; D395-F398 PolarHBondContact O-N 3.07Å; D395-T399 PolarHBondContact O-N 3.04Å; D395-T399 PolarHBondContact O-OG1 3.23Å |
| 396 | A | 75.4 | Confident | 73.9 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T393 Q394 T399 I400 | T393-A396 WeakPolarHBondContact O-CB 3.44Å; T393-A396 PolarHBondContact O-N 2.98Å; T393-A396 VanDerWaalsContact O-N 3.16Å; Q394-A396 VanDerWaalsContact C-N 3.32Å; Q394-A396 PolarHBondContact O-N 3.43Å; A396-T399 PolarHBondContact O-N 3.39Å; A396-I400 VanDerWaalsContact O-CG1 3.3Å; A396-I400 WeakPolarHBondContact O-CG1 3.3Å; A396-I400 PolarHBondContact O-N 3.31Å |
| 397 | F | 79.9 | Confident | 75.5 | Confident | 132 Ų | 132 | 86.9 Ų | 86.9 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 174.6 | -68.3 | -75.1 | 0 | 0 | 0 | 112 | T393 Q394 D395 T399 I400 V401 | T393-F397 VanDerWaalsContact O-CD2 3.24Å; T393-F397 WeakPolarHBondContact O-CD2 3.49Å; Q394-F397 WeakPolarHBondContact O-CB 3.4Å; Q394-F397 PolarHBondContact O-N 2.89Å; Q394-F397 VanDerWaalsContact O-N 3.12Å; D395-F397 VanDerWaalsContact C-N 3.32Å; F397-T399 VanDerWaalsContact C-N 3.32Å; F397-T399 PolarHBondContact O-N 3.4Å; F397-I400 PolarHBondContact O-N 3.21Å; F397-V401 WeakPolarHBondContact O-CG2 3.35Å; F397-V401 PolarHBondContact O-N 3.14Å |
| 398 | F | 82.1 | Confident | 77 | Confident | 118 Ų | 118 | 83.8 Ų | 83.8 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 175.1 | -71.1 | -46.8 | 0 | 0 | 0 | 112.5 | Q394 D395 V401 A402 | Q394-F398 HydrophobicContact CG-CD2 4.11Å; Q394-F398 HydrophobicContact CG-CE2 3.57Å; Q394-F398 HydrophobicContact CG-CZ 3.99Å; Q394-F398 VanDerWaalsContact NE2-CE2 3.29Å; Q394-F398 WeakPolarHBondContact O-CD2 3.2Å; Q394-F398 PolarHBondContact O-N 2.79Å; D395-F398 PolarHBondContact O-N 3.07Å; F398-V401 PolarHBondContact O-N 3.1Å; F398-A402 WeakPolarHBondContact O-CB 3.29Å; F398-A402 PolarHBondContact O-N 3.47Å |
| 399 | T | 81.4 | Confident | 78.6 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 61% | 0.613 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | D395 A396 F397 A402 G403 | D395-T399 PolarHBondContact O-N 3.04Å; D395-T399 PolarHBondContact O-OG1 3.23Å; A396-T399 PolarHBondContact O-N 3.39Å; F397-T399 VanDerWaalsContact C-N 3.32Å; F397-T399 PolarHBondContact O-N 3.4Å; T399-A402 PolarHBondContact O-N 2.94Å; T399-G403 PolarHBondContact O-N 2.75Å |
| 400 | I | 85.3 | Confident | 79.9 | Confident | 106 Ų | 106 | 81 Ų | 81 | 54% | 0.544 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 176.1 | -68.6 | 165 | 0 | 0 | 0 | 110.7 | A396 F397 G403 W404 | A396-I400 VanDerWaalsContact O-CG1 3.3Å; A396-I400 WeakPolarHBondContact O-CG1 3.3Å; A396-I400 PolarHBondContact O-N 3.31Å; F397-I400 PolarHBondContact O-N 3.21Å; I400-G403 PolarHBondContact O-N 2.88Å; I400-W404 PolarHBondContact O-N 3.02Å |
| 401 | V | 89.4 | Confident | 80.8 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 179.3 | 173.3 | 0 | 0 | 0 | 0 | 111 | F397 F398 G403 W404 I405 | F397-V401 WeakPolarHBondContact O-CG2 3.35Å; F397-V401 PolarHBondContact O-N 3.14Å; F398-V401 PolarHBondContact O-N 3.1Å; V401-G403 PolarHBondContact O-N 3.43Å; V401-W404 WeakPolarHBondContact O-CB 3.42Å; V401-W404 PolarHBondContact O-N 2.75Å; V401-I405 HydrophobicContact CG1-CD1 4.01Å; V401-I405 WeakPolarHBondContact O-CG1 3.08Å; V401-I405 PolarHBondContact O-N 3.41Å |
| 402 | A | 88.4 | Confident | 81.7 | Confident | 57 Ų | 57 | 83.8 Ų | 83.8 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F398 T399 W404 I405 F406 | F398-A402 WeakPolarHBondContact O-CB 3.29Å; F398-A402 PolarHBondContact O-N 3.47Å; T399-A402 PolarHBondContact O-N 2.94Å; A402-W404 VanDerWaalsContact C-N 3.31Å; A402-W404 PolarHBondContact O-N 3.21Å; A402-I405 PolarHBondContact O-N 3.19Å; A402-F406 WeakPolarHBondContact O-CB 3.45Å; A402-F406 PolarHBondContact O-N 3.23Å |
| 403 | G | 86.4 | Confident | 82.4 | Confident | 46 Ų | 46 | 89.7 Ų | 89.7 | 47% | 0.474 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T399 I400 V401 F406 G407 | T399-G403 PolarHBondContact O-N 2.75Å; I400-G403 PolarHBondContact O-N 2.88Å; V401-G403 PolarHBondContact O-N 3.43Å; G403-F406 PolarHBondContact O-N 3.14Å; G403-G407 PolarHBondContact O-N 3.23Å |
| 404 | W | 89.1 | Confident | 82.5 | Confident | 195 Ų | 195 | 93 Ų | 93 | 74% | 0.739 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -47.3 | 174.8 | -116.1 | 63.7 | 0 | 0 | 0 | 112.6 | I400 V401 A402 F406 G407 L408 | I400-W404 PolarHBondContact O-N 3.02Å; V401-W404 WeakPolarHBondContact O-CB 3.42Å; V401-W404 PolarHBondContact O-N 2.75Å; A402-W404 VanDerWaalsContact C-N 3.31Å; A402-W404 PolarHBondContact O-N 3.21Å; W404-F406 VanDerWaalsContact C-N 3.34Å; W404-G407 PolarHBondContact O-N 3.04Å; W404-L408 HydrophobicContact CE3-CD1 4.43Å; W404-L408 PolarHBondContact O-N 2.86Å |
| 405 | I | 92 | Very high | 81.8 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 177.1 | -66.5 | 168.1 | 0 | 0 | 0 | 110 | V401 A402 G407 L408 V409 | V401-I405 HydrophobicContact CG1-CD1 4.01Å; V401-I405 WeakPolarHBondContact O-CG1 3.08Å; V401-I405 PolarHBondContact O-N 3.41Å; A402-I405 PolarHBondContact O-N 3.19Å; I405-G407 PolarHBondContact O-N 3.47Å; I405-L408 WeakPolarHBondContact O-CB 3.36Å; I405-L408 PolarHBondContact O-N 3.16Å; I405-V409 HydrophobicContact CG2-CG2 4.47Å; I405-V409 WeakPolarHBondContact O-CG2 3.49Å; I405-V409 PolarHBondContact O-N 3.12Å |
| 406 | F | 90.3 | Very high | 81.2 | Confident | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.614 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -44.9 | 178.4 | -175.2 | -99.2 | 0 | 0 | 0 | 112 | A402 G403 W404 L408 V409 C410 | A402-F406 WeakPolarHBondContact O-CB 3.45Å; A402-F406 PolarHBondContact O-N 3.23Å; G403-F406 PolarHBondContact O-N 3.14Å; W404-F406 VanDerWaalsContact C-N 3.34Å; F406-L408 VanDerWaalsContact C-N 3.33Å; F406-L408 PolarHBondContact O-N 3.47Å; F406-V409 WeakPolarHBondContact O-CB 3.39Å; F406-V409 PolarHBondContact O-N 3.3Å; F406-V409 VanDerWaalsContact O-N 3.17Å; F406-C410 VanDerWaalsContact CE1-SG 3.59Å; F406-C410 PolarHBondContact O-N 2.9Å; F406-C410 PolarHBondContact O-SG 3.19Å |
| 407 | G | 85.6 | Confident | 80 | Confident | 32 Ų | 32 | 106.6 Ų | 106.6 | 33% | 0.33 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | G403 W404 I405 C410 L411 | G403-G407 PolarHBondContact O-N 3.23Å; W404-G407 PolarHBondContact O-N 3.04Å; I405-G407 PolarHBondContact O-N 3.47Å; G407-C410 PolarHBondContact O-N 3.17Å; G407-L411 WeakPolarHBondContact O-CG 3.25Å; G407-L411 PolarHBondContact O-N 2.84Å; G407-L411 VanDerWaalsContact O-N 3.09Å |
| 408 | L | 86.4 | Confident | 78.4 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.5 | -101.8 | 156.8 | 0 | 0 | 0 | 112.2 | W404 I405 F406 L411 I412 | W404-L408 HydrophobicContact CE3-CD1 4.43Å; W404-L408 PolarHBondContact O-N 2.86Å; I405-L408 WeakPolarHBondContact O-CB 3.36Å; I405-L408 PolarHBondContact O-N 3.16Å; F406-L408 VanDerWaalsContact C-N 3.33Å; F406-L408 PolarHBondContact O-N 3.47Å; L408-L411 PolarHBondContact O-N 3Å; L408-I412 VanDerWaalsContact O-CG1 3.32Å; L408-I412 WeakPolarHBondContact O-CG1 3.31Å; L408-I412 PolarHBondContact O-N 3.42Å; L408-I412 VanDerWaalsContact O-N 3.07Å |
| 409 | V | 87.7 | Confident | 76.6 | Confident | 59 Ų | 59 | 105.3 Ų | 105.3 | 36% | 0.358 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | I405 F406 L411 I412 F413 | I405-V409 HydrophobicContact CG2-CG2 4.47Å; I405-V409 WeakPolarHBondContact O-CG2 3.49Å; I405-V409 PolarHBondContact O-N 3.12Å; F406-V409 WeakPolarHBondContact O-CB 3.39Å; F406-V409 PolarHBondContact O-N 3.3Å; F406-V409 VanDerWaalsContact O-N 3.17Å; V409-L411 VanDerWaalsContact C-N 3.34Å; V409-L411 PolarHBondContact O-N 2.87Å; V409-I412 PolarHBondContact O-N 3.25Å; V409-F413 HydrophobicContact CG1-CD2 3.59Å; V409-F413 HydrophobicContact CG1-CE2 3.49Å; V409-F413 VanDerWaalsContact CG1-CE2 3.49Å; V409-F413 VanDerWaalsContact O-CD2 3.27Å; V409-F413 WeakPolarHBondContact O-CD2 3.34Å; V409-F413 PolarHBondContact O-N 3.3Å |
| 410 | C | 85.7 | Confident | 74.9 | Confident | 52 Ų | 52 | 108 Ų | 108 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 175.5 | -71.4 | 0 | 0 | 0 | 0 | 112.2 | F406 G407 I412 F413 E414 | F406-C410 VanDerWaalsContact CE1-SG 3.59Å; F406-C410 PolarHBondContact O-N 2.9Å; F406-C410 PolarHBondContact O-SG 3.19Å; G407-C410 PolarHBondContact O-N 3.17Å; C410-I412 VanDerWaalsContact C-N 3.33Å; C410-I412 PolarHBondContact O-N 2.88Å; C410-F413 PolarHBondContact O-N 3.18Å; C410-E414 PolarHBondContact O-N 2.87Å |
| 411 | L | 77.8 | Confident | 73.1 | Confident | 112 Ų | 112 | 111.5 Ų | 111.5 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.7 | -38.9 | 177.1 | -73.3 | 170.6 | 0 | 0 | 0 | 112.7 | G407 L408 V409 R415 | G407-L411 WeakPolarHBondContact O-CG 3.25Å; G407-L411 PolarHBondContact O-N 2.84Å; G407-L411 VanDerWaalsContact O-N 3.09Å; L408-L411 PolarHBondContact O-N 3Å; V409-L411 VanDerWaalsContact C-N 3.34Å; V409-L411 PolarHBondContact O-N 2.87Å; L411-R415 WeakPolarHBondContact O-CB 3.46Å; L411-R415 PolarHBondContact O-N 3.39Å |
| 412 | I | 79.4 | Confident | 71 | Confident | 98 Ų | 98 | 114 Ų | 114 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -41.4 | 177.1 | -68 | 165.2 | 0 | 0 | 0 | 110.7 | L408 V409 C410 R415 K416 | L408-I412 VanDerWaalsContact O-CG1 3.32Å; L408-I412 WeakPolarHBondContact O-CG1 3.31Å; L408-I412 PolarHBondContact O-N 3.42Å; L408-I412 VanDerWaalsContact O-N 3.07Å; V409-I412 PolarHBondContact O-N 3.25Å; C410-I412 VanDerWaalsContact C-N 3.33Å; C410-I412 PolarHBondContact O-N 2.88Å; I412-R415 PolarHBondContact O-N 3.46Å; I412-K416 PolarHBondContact O-N 2.71Å |
| 413 | F | 77.6 | Confident | 68.9 | Low | 138 Ų | 138 | 118.4 Ų | 118.4 | 61% | 0.605 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.5 | -43.4 | 177.2 | -82.9 | -70.4 | 0 | 0 | 0 | 112.2 | V409 C410 R415 K416 V417 | V409-F413 HydrophobicContact CG1-CD2 3.59Å; V409-F413 HydrophobicContact CG1-CE2 3.49Å; V409-F413 VanDerWaalsContact CG1-CE2 3.49Å; V409-F413 VanDerWaalsContact O-CD2 3.27Å; V409-F413 WeakPolarHBondContact O-CD2 3.34Å; V409-F413 PolarHBondContact O-N 3.3Å; C410-F413 PolarHBondContact O-N 3.18Å; F413-R415 VanDerWaalsContact C-N 3.26Å; F413-R415 PolarHBondContact O-N 3.05Å; F413-K416 PolarHBondContact O-N 3.46Å; F413-V417 PolarHBondContact O-N 3.48Å |
| 414 | E | 68.1 | Low | 67 | Low | 114 Ų | 114 | 122.9 Ų | 122.9 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.3 | -38.1 | 174.7 | -81.4 | -171.2 | 157.1 | 0 | 0 | 111.9 | C410 K416 V417 | C410-E414 PolarHBondContact O-N 2.87Å; E414-K416 PolarHBondContact O-N 2.78Å; E414-V417 PolarHBondContact O-N 2.9Å; E414-V417 VanDerWaalsContact O-N 3.09Å |
| 415 | R | 60 | Low | 64.8 | Low | 230 Ų | 230 | 118.6 Ų | 118.6 | 87% | 0.868 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.1 | -20.8 | 176.4 | -164.9 | 171.9 | -178.4 | 160.5 | 0.5 | 113.5 | L411 I412 F413 | L411-R415 WeakPolarHBondContact O-CB 3.46Å; L411-R415 PolarHBondContact O-N 3.39Å; I412-R415 PolarHBondContact O-N 3.46Å; F413-R415 VanDerWaalsContact C-N 3.26Å; F413-R415 PolarHBondContact O-N 3.05Å |
| 416 | K | 56.6 | Low | 62.4 | Low | 169 Ų | 169 | 116.2 Ų | 116.2 | 74% | 0.735 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -91 | -13.9 | 174.2 | -72.5 | -168.6 | 178.3 | -178.1 | 0 | 113.7 | I412 F413 E414 | I412-K416 PolarHBondContact O-N 2.71Å; F413-K416 PolarHBondContact O-N 3.46Å; E414-K416 PolarHBondContact O-N 2.78Å |
| 417 | V | 49.9 | Very low | 60 | Low | 65 Ų | 65 | 118.4 Ų | 118.4 | 39% | 0.394 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -79 | 118.8 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | F413 E414 M419 Y421 | F413-V417 PolarHBondContact O-N 3.48Å; E414-V417 PolarHBondContact O-N 2.9Å; E414-V417 VanDerWaalsContact O-N 3.09Å; V417-M419 PolarHBondContact O-N 3.31Å; V417-M419 VanDerWaalsContact O-N 3.12Å; V417-Y421 HydrophobicContact CG1-CD2 4.35Å |
| 418 | P | 46.7 | Very low | 58 | Low | 83 Ų | 83 | 125.2 Ų | 125.2 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | trans | -57.8 | 125.7 | 178.9 | 21.7 | -29.8 | 0 | 0 | 0 | 108.6 | K420 Y421 | P418-K420 PolarHBondContact O-N 2.81Å; P418-Y421 HydrophobicContact CG-CD2 4.25Å; P418-Y421 HydrophobicContact CG-CE2 4.13Å; P418-Y421 PolarHBondContact O-N 2.87Å | ||
| 419 | M | 44 | Very low | 56 | Low | 139 Ų | 139 | 129.4 Ų | 129.4 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | -13.7 | -179.6 | -85.5 | -158.1 | -173.2 | 0 | 0 | 114.7 | V417 Y421 F422 Y423 | V417-M419 PolarHBondContact O-N 3.31Å; V417-M419 VanDerWaalsContact O-N 3.12Å; M419-Y421 PolarHBondContact O-N 3.42Å; M419-Y421 VanDerWaalsContact O-N 3.14Å; M419-F422 PolarHBondContact O-N 3.34Å; M419-Y423 HydrophobicContact CB-CD2 4.19Å; M419-Y423 HydrophobicContact CB-CE2 4.38Å; M419-Y423 HydrophobicContact CG-CE2 4.3Å; M419-Y423 WeakPolarHBondContact O-CD2 3.35Å; M419-Y423 PolarHBondContact O-N 3.17Å; M419-Y423 HydrophobicContact SD-CD2 4.26Å; M419-Y423 HydrophobicContact SD-CE2 3.6Å |
| 420 | K | 45.5 | Very low | 53.9 | Low | 156 Ų | 156 | 130.6 Ų | 130.6 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -49.7 | -34.4 | 175 | -134.6 | 179.2 | -178.8 | -174 | 0 | 113.5 | P418 | P418-K420 PolarHBondContact O-N 2.81Å |
| 421 | Y | 48.1 | Very low | 52.2 | Low | 181 Ų | 181 | 135.4 Ų | 135.4 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -81.3 | -19.9 | -176.7 | -69.2 | -76.1 | 0 | 0 | 0 | 115.6 | V417 P418 M419 | V417-Y421 HydrophobicContact CG1-CD2 4.35Å; P418-Y421 HydrophobicContact CG-CD2 4.25Å; P418-Y421 HydrophobicContact CG-CE2 4.13Å; P418-Y421 PolarHBondContact O-N 2.87Å; M419-Y421 PolarHBondContact O-N 3.42Å; M419-Y421 VanDerWaalsContact O-N 3.14Å |
| 422 | F | 46.3 | Very low | 51.1 | Low | 137 Ų | 137 | 134.9 Ų | 134.9 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -93.9 | -25.4 | 178.7 | -82 | -83.6 | 0 | 0 | 0 | 112.9 | M419 | M419-F422 PolarHBondContact O-N 3.34Å |
| 423 | Y | 44.7 | Very low | 50 | Low | 149 Ų | 149 | 139.7 Ų | 139.7 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -95.9 | -13.3 | -176.6 | -74.8 | -84.1 | 0 | 0 | 0 | 115 | M419 S425 A426 | M419-Y423 HydrophobicContact CB-CD2 4.19Å; M419-Y423 HydrophobicContact CB-CE2 4.38Å; M419-Y423 HydrophobicContact CG-CE2 4.3Å; M419-Y423 WeakPolarHBondContact O-CD2 3.35Å; M419-Y423 PolarHBondContact O-N 3.17Å; M419-Y423 HydrophobicContact SD-CD2 4.26Å; M419-Y423 HydrophobicContact SD-CE2 3.6Å; Y423-S425 PolarHBondContact O-N 3.44Å; Y423-S425 VanDerWaalsContact O-N 3.12Å; Y423-A426 HydrophobicContact CD1-CB 4.27Å; Y423-A426 PolarHBondContact O-N 3.45Å |
| 424 | D | 45 | Very low | 49.1 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -8.4 | 176.3 | -85.4 | -9.6 | 0 | 0 | 0 | 113.4 | ||
| 425 | S | 44.1 | Very low | 48.5 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 0.8 | 174 | 65.7 | 0 | 0 | 0 | 0 | 114.6 | Y423 | Y423-S425 PolarHBondContact O-N 3.44Å; Y423-S425 VanDerWaalsContact O-N 3.12Å |
| 426 | A | 41.2 | Very low | 48.7 | Very low | 52 Ų | 52 | 138.1 Ų | 138.1 | 43% | 0.43 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -84.7 | 119.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y423 E428 | Y423-A426 HydrophobicContact CD1-CB 4.27Å; Y423-A426 PolarHBondContact O-N 3.45Å; A426-E428 PolarHBondContact O-N 3.13Å |
| 427 | E | 40.7 | Very low | 49.2 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | trans | -34.3 | 126.4 | 167 | -93.6 | 174.5 | 151.6 | 0 | 0 | 110.1 | Q429 | E427-Q429 VanDerWaalsContact C-N 3.34Å; E427-Q429 PolarHBondContact O-N 3.48Å | ||
| 428 | E | 43.2 | Very low | 50 | Low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 67% | 0.666 | S | S | * | * | trans | -50 | 99.2 | 176.6 | -128.7 | -175.3 | 171.5 | 0 | 0 | 107.9 | A426 P430 | A426-E428 PolarHBondContact O-N 3.13Å; E428-P430 WeakPolarHBondContact O-CD 3.43Å; E428-P430 VanDerWaalsContact O-N 3.08Å | ||
| 429 | Q | 43.8 | Very low | 50.9 | Low | 179 Ų | 179 | 140.9 Ų | 140.9 | 84% | 0.836 | 67% | 0.666 | S | S | * | * | trans | -60.5 | 120.8 | 171.9 | -81.2 | -160.6 | -6.7 | 0 | 0 | 106 | E427 K431 | E427-Q429 VanDerWaalsContact C-N 3.34Å; E427-Q429 PolarHBondContact O-N 3.48Å; Q429-K431 PolarHBondContact O-N 2.91Å | ||
| 430 | P | 43.1 | Very low | 52.2 | Low | 83 Ų | 83 | 138 Ų | 138 | 54% | 0.539 | 65% | 0.653 | S | S | . | * | trans | -59.8 | 120.5 | -173.3 | 21.6 | -31.2 | 0 | 0 | 0 | 108.1 | E428 S432 | E428-P430 WeakPolarHBondContact O-CD 3.43Å; E428-P430 VanDerWaalsContact O-N 3.08Å; P430-S432 PolarHBondContact O-N 3.06Å; P430-S432 VanDerWaalsContact O-N 3.14Å | ||
| 431 | K | 50 | Low | 53.5 | Low | 154 Ų | 154 | 139.6 Ų | 139.6 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | trans | -40.7 | 123.6 | -179.4 | -74.2 | 173.2 | 179.5 | 165.7 | 0 | 108.9 | Q429 R433 Q434 R435 | Q429-K431 PolarHBondContact O-N 2.91Å; K431-R433 PolarHBondContact O-N 3.37Å; K431-Q434 WeakPolarHBondContact O-CB 3.22Å; K431-Q434 PolarHBondContact O-N 3.28Å; K431-R435 PolarHBondContact O-N 3.47Å | ||
| 432 | S | 55.7 | Low | 54.6 | Low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -49.7 | -25.3 | -174.3 | 58.4 | 0 | 0 | 0 | 0 | 114.6 | P430 K436 | P430-S432 PolarHBondContact O-N 3.06Å; P430-S432 VanDerWaalsContact O-N 3.14Å; S432-K436 WeakPolarHBondContact O-CB 3.18Å; S432-K436 PolarHBondContact O-N 2.91Å |
| 433 | R | 56.4 | Low | 55.9 | Low | 200 Ų | 200 | 130.5 Ų | 130.5 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.8 | -30.6 | 172.9 | -74.4 | -176.7 | 172.9 | -178.3 | -2.1 | 114.4 | K431 R437 | K431-R433 PolarHBondContact O-N 3.37Å; R433-R437 WeakPolarHBondContact O-CB 3.45Å; R433-R437 VanDerWaalsContact O-CG 3.29Å; R433-R437 WeakPolarHBondContact O-CG 3.23Å; R433-R437 PolarHBondContact O-N 3.08Å; R433-R437 VanDerWaalsContact O-N 3.1Å |
| 434 | Q | 57.7 | Low | 57.2 | Low | 129 Ų | 129 | 127.5 Ų | 127.5 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79.6 | -38.8 | 178 | -151.1 | 164.6 | -5 | 0 | 0 | 110.6 | K431 R437 V438 | K431-Q434 WeakPolarHBondContact O-CB 3.22Å; K431-Q434 PolarHBondContact O-N 3.28Å; Q434-R437 PolarHBondContact O-N 3.47Å; Q434-V438 WeakPolarHBondContact O-CB 3.33Å; Q434-V438 VanDerWaalsContact O-CG2 3.28Å; Q434-V438 WeakPolarHBondContact O-CG2 3.39Å; Q434-V438 PolarHBondContact O-N 3.47Å |
| 435 | R | 55.5 | Low | 58.5 | Low | 187 Ų | 187 | 126.7 Ų | 126.7 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.6 | -39.6 | 171.5 | -140.4 | 179.1 | -169.4 | -173.9 | 3 | 112 | K431 M439 | K431-R435 PolarHBondContact O-N 3.47Å; R435-M439 WeakPolarHBondContact O-CB 3.31Å; R435-M439 PolarHBondContact O-N 2.87Å |
| 436 | K | 64.6 | Low | 59.5 | Low | 133 Ų | 133 | 126.8 Ų | 126.8 | 58% | 0.578 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.5 | -42.3 | 174 | -157.2 | 175.4 | -174.2 | -179.2 | 0 | 112.2 | S432 M439 D440 | S432-K436 WeakPolarHBondContact O-CB 3.18Å; S432-K436 PolarHBondContact O-N 2.91Å; K436-M439 PolarHBondContact O-N 3.27Å; K436-D440 VanDerWaalsContact O-CB 3.23Å; K436-D440 WeakPolarHBondContact O-CB 3.41Å; K436-D440 PolarHBondContact O-N 3.02Å |
| 437 | R | 66.5 | Low | 60.7 | Low | 175 Ų | 175 | 132.8 Ų | 132.8 | 66% | 0.66 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.4 | -36 | 176.3 | -75.5 | 177.5 | -171.8 | -177.6 | 1.7 | 113.9 | R433 Q434 R441 | R433-R437 WeakPolarHBondContact O-CB 3.45Å; R433-R437 VanDerWaalsContact O-CG 3.29Å; R433-R437 WeakPolarHBondContact O-CG 3.23Å; R433-R437 PolarHBondContact O-N 3.08Å; R433-R437 VanDerWaalsContact O-N 3.1Å; Q434-R437 PolarHBondContact O-N 3.47Å; R437-R441 WeakPolarHBondContact O-CB 3.28Å; R437-R441 WeakPolarHBondContact O-CG 3.48Å; R437-R441 PolarHBondContact O-N 2.99Å |
| 438 | V | 67.2 | Low | 61.8 | Low | 89 Ų | 89 | 128 Ų | 128 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.1 | -48.3 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | Q434 D440 R441 T442 | Q434-V438 WeakPolarHBondContact O-CB 3.33Å; Q434-V438 VanDerWaalsContact O-CG2 3.28Å; Q434-V438 WeakPolarHBondContact O-CG2 3.39Å; Q434-V438 PolarHBondContact O-N 3.47Å; V438-D440 PolarHBondContact O-N 3.18Å; V438-R441 PolarHBondContact O-N 3.22Å; V438-T442 PolarHBondContact O-N 3.08Å; V438-T442 PolarHBondContact O-OG1 2.66Å |
| 439 | M | 65.6 | Low | 62.9 | Low | 110 Ų | 110 | 125.6 Ų | 125.6 | 54% | 0.542 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.4 | -40.8 | 178.1 | -165.6 | 177.8 | 72.4 | 0 | 0 | 112.4 | R435 K436 T442 I443 | R435-M439 WeakPolarHBondContact O-CB 3.31Å; R435-M439 PolarHBondContact O-N 2.87Å; K436-M439 PolarHBondContact O-N 3.27Å; M439-T442 PolarHBondContact O-N 2.93Å; M439-I443 HydrophobicContact CG-CD1 4.11Å; M439-I443 WeakPolarHBondContact O-CB 3.34Å; M439-I443 VanDerWaalsContact O-CG1 3.22Å; M439-I443 WeakPolarHBondContact O-CG1 3.47Å; M439-I443 PolarHBondContact O-N 3.33Å |
| 440 | D | 70.6 | Confident | 63.4 | Low | 79 Ų | 79 | 122.2 Ų | 122.2 | 42% | 0.422 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -45.4 | 173.6 | -75.3 | -22.5 | 0 | 0 | 0 | 110.2 | K436 V438 T442 I443 T444 | K436-D440 VanDerWaalsContact O-CB 3.23Å; K436-D440 WeakPolarHBondContact O-CB 3.41Å; K436-D440 PolarHBondContact O-N 3.02Å; V438-D440 PolarHBondContact O-N 3.18Å; D440-T442 PolarHBondContact O-N 3.4Å; D440-I443 PolarHBondContact O-N 3.41Å; D440-T444 PolarHBondContact O-N 2.93Å; D440-T444 PolarHBondContact O-OG1 2.92Å |
| 441 | R | 72.9 | Confident | 64 | Low | 189 Ų | 189 | 121.2 Ų | 121.2 | 71% | 0.713 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.6 | -40 | 175.2 | -80.9 | 179.7 | 178.4 | 179.4 | -1.8 | 113 | R437 V438 T444 Q445 | R437-R441 WeakPolarHBondContact O-CB 3.28Å; R437-R441 WeakPolarHBondContact O-CG 3.48Å; R437-R441 PolarHBondContact O-N 2.99Å; V438-R441 PolarHBondContact O-N 3.22Å; R441-T444 PolarHBondContact O-N 2.95Å; R441-Q445 WeakPolarHBondContact O-CB 3.33Å; R441-Q445 PolarHBondContact O-N 2.9Å |
| 442 | T | 71.9 | Confident | 64.4 | Low | 57 Ų | 57 | 118.5 Ų | 118.5 | 35% | 0.35 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.2 | -37 | 177.2 | -39.9 | 0 | 0 | 0 | 0 | 111.1 | V438 M439 D440 Q445 M446 | V438-T442 PolarHBondContact O-N 3.08Å; V438-T442 PolarHBondContact O-OG1 2.66Å; M439-T442 PolarHBondContact O-N 2.93Å; D440-T442 PolarHBondContact O-N 3.4Å; T442-Q445 PolarHBondContact O-N 2.87Å; T442-M446 HydrophobicContact CG2-CE 3.86Å; T442-M446 WeakPolarHBondContact O-CB 3.49Å; T442-M446 WeakPolarHBondContact O-CG 3.4Å; T442-M446 PolarHBondContact O-N 2.89Å |
| 443 | I | 73.6 | Confident | 64.3 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.7 | -40.2 | 174 | -68.6 | 166 | 0 | 0 | 0 | 110.8 | M439 D440 R447 | M439-I443 HydrophobicContact CG-CD1 4.11Å; M439-I443 WeakPolarHBondContact O-CB 3.34Å; M439-I443 VanDerWaalsContact O-CG1 3.22Å; M439-I443 WeakPolarHBondContact O-CG1 3.47Å; M439-I443 PolarHBondContact O-N 3.33Å; D440-I443 PolarHBondContact O-N 3.41Å; I443-R447 WeakPolarHBondContact O-CB 3.21Å; I443-R447 WeakPolarHBondContact O-CG 3.48Å; I443-R447 PolarHBondContact O-N 3.36Å |
| 444 | T | 72.4 | Confident | 64.1 | Low | 86 Ų | 86 | 116.3 Ų | 116.3 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.5 | -41.4 | 174.9 | -10 | 0 | 0 | 0 | 0 | 111.9 | D440 R441 R447 T448 | D440-T444 PolarHBondContact O-N 2.93Å; D440-T444 PolarHBondContact O-OG1 2.92Å; R441-T444 PolarHBondContact O-N 2.95Å; T444-R447 PolarHBondContact O-N 2.78Å; T444-T448 PolarHBondContact O-N 3.5Å; T444-T448 PolarHBondContact O-OG1 3.48Å; T444-T448 VanDerWaalsContact O-OG1 3.08Å |
| 445 | Q | 71.5 | Confident | 63.9 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.3 | -46 | 176.4 | -84.5 | -178.1 | -46.4 | 0 | 0 | 112.1 | R441 T442 R447 T448 E449 | R441-Q445 WeakPolarHBondContact O-CB 3.33Å; R441-Q445 PolarHBondContact O-N 2.9Å; T442-Q445 PolarHBondContact O-N 2.87Å; Q445-R447 VanDerWaalsContact C-N 3.32Å; Q445-R447 PolarHBondContact O-N 3.17Å; Q445-T448 WeakPolarHBondContact CA-OG1 3.47Å; Q445-T448 PolarHBondContact O-N 3.3Å; Q445-T448 PolarHBondContact O-OG1 2.93Å; Q445-E449 WeakPolarHBondContact O-CG 3.41Å; Q445-E449 PolarHBondContact O-N 2.95Å |
| 446 | M | 64.9 | Low | 63.7 | Low | 108 Ų | 108 | 111.8 Ų | 111.8 | 53% | 0.532 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.3 | -38.5 | 175.2 | -75.6 | -162.5 | -129.8 | 0 | 0 | 112.2 | T442 E449 L450 | T442-M446 HydrophobicContact CG2-CE 3.86Å; T442-M446 WeakPolarHBondContact O-CB 3.49Å; T442-M446 WeakPolarHBondContact O-CG 3.4Å; T442-M446 PolarHBondContact O-N 2.89Å; M446-E449 PolarHBondContact O-N 3.09Å; M446-L450 WeakPolarHBondContact O-CB 3.42Å; M446-L450 WeakPolarHBondContact O-CD1 3.49Å; M446-L450 WeakPolarHBondContact O-CG 3.45Å; M446-L450 PolarHBondContact O-N 3.27Å |
| 447 | R | 66 | Low | 62.6 | Low | 178 Ų | 178 | 115.9 Ų | 115.9 | 67% | 0.672 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.8 | -36 | 175.7 | -78.9 | -178.6 | 178 | -180 | 0.2 | 112.9 | I443 T444 Q445 A451 | I443-R447 WeakPolarHBondContact O-CB 3.21Å; I443-R447 WeakPolarHBondContact O-CG 3.48Å; I443-R447 PolarHBondContact O-N 3.36Å; T444-R447 PolarHBondContact O-N 2.78Å; Q445-R447 VanDerWaalsContact C-N 3.32Å; Q445-R447 PolarHBondContact O-N 3.17Å; R447-A451 WeakPolarHBondContact O-CB 3.3Å; R447-A451 PolarHBondContact O-N 3.17Å |
| 448 | T | 65.8 | Low | 62.4 | Low | 84 Ų | 84 | 113 Ų | 113 | 52% | 0.515 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.1 | -34.3 | 174.7 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | T444 Q445 V452 | T444-T448 PolarHBondContact O-N 3.5Å; T444-T448 PolarHBondContact O-OG1 3.48Å; T444-T448 VanDerWaalsContact O-OG1 3.08Å; Q445-T448 WeakPolarHBondContact CA-OG1 3.47Å; Q445-T448 PolarHBondContact O-N 3.3Å; Q445-T448 PolarHBondContact O-OG1 2.93Å; T448-V452 VanDerWaalsContact O-CG2 3.3Å; T448-V452 WeakPolarHBondContact O-CG2 3.42Å; T448-V452 PolarHBondContact O-N 3.33Å |
| 449 | E | 64.3 | Low | 62.1 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.8 | -39.6 | 174.4 | -72.5 | 177.8 | -179.3 | 0 | 0 | 111.8 | Q445 M446 V452 I453 | Q445-E449 WeakPolarHBondContact O-CG 3.41Å; Q445-E449 PolarHBondContact O-N 2.95Å; M446-E449 PolarHBondContact O-N 3.09Å; E449-V452 PolarHBondContact O-N 3.26Å; E449-I453 WeakPolarHBondContact O-CG1 3.36Å; E449-I453 PolarHBondContact O-N 3.33Å |
| 450 | L | 54.6 | Low | 62 | Low | 108 Ų | 108 | 114.4 Ų | 114.4 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.7 | -36.7 | 174.1 | -81.1 | 153.8 | 0 | 0 | 0 | 112.9 | M446 V452 I453 D454 | M446-L450 WeakPolarHBondContact O-CB 3.42Å; M446-L450 WeakPolarHBondContact O-CD1 3.49Å; M446-L450 WeakPolarHBondContact O-CG 3.45Å; M446-L450 PolarHBondContact O-N 3.27Å; L450-V452 VanDerWaalsContact C-N 3.26Å; L450-V452 PolarHBondContact O-N 3.27Å; L450-I453 PolarHBondContact O-N 3.42Å; L450-D454 PolarHBondContact O-N 3.49Å; L450-D454 VanDerWaalsContact O-N 3.17Å |
| 451 | A | 57.2 | Low | 61.5 | Low | 62 Ų | 62 | 116.5 Ų | 116.5 | 51% | 0.512 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.9 | -20 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R447 | R447-A451 WeakPolarHBondContact O-CB 3.3Å; R447-A451 PolarHBondContact O-N 3.17Å |
| 452 | V | 57.3 | Low | 60.7 | Low | 97 Ų | 97 | 112 Ų | 112 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.4 | -26.6 | 171.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | T448 E449 L450 | T448-V452 VanDerWaalsContact O-CG2 3.3Å; T448-V452 WeakPolarHBondContact O-CG2 3.42Å; T448-V452 PolarHBondContact O-N 3.33Å; E449-V452 PolarHBondContact O-N 3.26Å; L450-V452 VanDerWaalsContact C-N 3.26Å; L450-V452 PolarHBondContact O-N 3.27Å |
| 453 | I | 54.2 | Low | 60 | Low | 117 Ų | 117 | 115.7 Ų | 115.7 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.1 | -34.1 | 176.2 | -63.4 | 166 | 0 | 0 | 0 | 111.3 | E449 L450 A455 | E449-I453 WeakPolarHBondContact O-CG1 3.36Å; E449-I453 PolarHBondContact O-N 3.33Å; L450-I453 PolarHBondContact O-N 3.42Å; I453-A455 VanDerWaalsContact C-N 3.28Å; I453-A455 PolarHBondContact O-N 3.22Å |
| 454 | D | 52.2 | Low | 59 | Low | 137 Ų | 137 | 118.9 Ų | 118.9 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -6.6 | 175.1 | -84 | -14.2 | 0 | 0 | 0 | 113.9 | L450 | L450-D454 PolarHBondContact O-N 3.49Å; L450-D454 VanDerWaalsContact O-N 3.17Å |
| 455 | A | 52.6 | Low | 58 | Low | 77 Ų | 77 | 121.4 Ų | 121.4 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -2.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I453 | I453-A455 VanDerWaalsContact C-N 3.28Å; I453-A455 PolarHBondContact O-N 3.22Å |
| 456 | D | 51.3 | Low | 56.9 | Low | 144 Ų | 144 | 121.4 Ų | 121.4 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | trans | -108.8 | 16.8 | 178.9 | -92.7 | -17 | 0 | 0 | 0 | 113 | ||||
| 457 | D | 42.2 | Very low | 56.1 | Low | 219 Ų | 219 | 122.6 Ų | 122.6 | 100% | 1.171 | 67% | 0.668 | S | S | * | * | trans | -108.3 | 0 | 167.5 | -93.8 | -12.7 | 0 | 0 | 0 | 112.8 |
Retrieved 457 of 457 residues in 263 ms
(Link to these results)